smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181078346 199250296 /nfs/dbraw/zinc/25/02/96/199250296.db2.gz ASUJYXGQTDEBGJ-ZDUSSCGKSA-N 2 2 321.425 0.331 10 0 DCAELP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181078346 199250299 /nfs/dbraw/zinc/25/02/99/199250299.db2.gz ASUJYXGQTDEBGJ-ZDUSSCGKSA-N 2 2 321.425 0.331 10 0 DCAELP C[C@]1(F)C[NH2+]CCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000566009077 291263841 /nfs/dbraw/zinc/26/38/41/291263841.db2.gz ACOUUSNVXSIBFD-AWEZNQCLSA-N 2 2 304.329 0.436 10 0 DCAELP C[NH+](C)CC(C)(C)CNS(=O)(=O)c1ccc(NN)[nH+]c1 ZINC000020022848 182179560 /nfs/dbraw/zinc/17/95/60/182179560.db2.gz FXSRAOURZCTZTO-UHFFFAOYSA-N 2 2 301.416 0.233 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(C(=O)N(C)C)CC2)CC1 ZINC000041106294 183166189 /nfs/dbraw/zinc/16/61/89/183166189.db2.gz HARFYPIZCLKVPU-CQSZACIVSA-N 2 2 324.469 0.339 10 0 DCAELP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000104799972 194042204 /nfs/dbraw/zinc/04/22/04/194042204.db2.gz PZSDQDNTJFIIRR-HOTGVXAUSA-N 2 2 320.437 0.919 10 0 DCAELP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000104799972 194042207 /nfs/dbraw/zinc/04/22/07/194042207.db2.gz PZSDQDNTJFIIRR-HOTGVXAUSA-N 2 2 320.437 0.919 10 0 DCAELP C[C@@H](NC(=O)N1CC[NH+](C2CC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000105298318 194093831 /nfs/dbraw/zinc/09/38/31/194093831.db2.gz RMDDWIUGKCLXMO-KGLIPLIRSA-N 2 2 310.442 0.585 10 0 DCAELP CC[NH+](CC)[C@@H](C)CNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000105125016 284758679 /nfs/dbraw/zinc/75/86/79/284758679.db2.gz UDYWWXRZMJJDDY-AWEZNQCLSA-N 2 2 300.447 0.690 10 0 DCAELP COc1ccccc1CNC(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193606015 395773620 /nfs/dbraw/zinc/77/36/20/395773620.db2.gz SESAOJVMGRBTGU-GASCZTMLSA-N 2 2 303.406 0.805 10 0 DCAELP COc1ccccc1CNC(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193606015 395773623 /nfs/dbraw/zinc/77/36/23/395773623.db2.gz SESAOJVMGRBTGU-GASCZTMLSA-N 2 2 303.406 0.805 10 0 DCAELP COc1ccccc1CNC(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193606015 395773626 /nfs/dbraw/zinc/77/36/26/395773626.db2.gz SESAOJVMGRBTGU-GASCZTMLSA-N 2 2 303.406 0.805 10 0 DCAELP COc1ccccc1CNC(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193606015 395773628 /nfs/dbraw/zinc/77/36/28/395773628.db2.gz SESAOJVMGRBTGU-GASCZTMLSA-N 2 2 303.406 0.805 10 0 DCAELP C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000194723746 395805254 /nfs/dbraw/zinc/80/52/54/395805254.db2.gz SBHSPGBOGBJPKI-ZDUSSCGKSA-N 2 2 301.350 0.328 10 0 DCAELP C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000194723746 395805256 /nfs/dbraw/zinc/80/52/56/395805256.db2.gz SBHSPGBOGBJPKI-ZDUSSCGKSA-N 2 2 301.350 0.328 10 0 DCAELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000116400106 395844056 /nfs/dbraw/zinc/84/40/56/395844056.db2.gz BEPWBUZKHFYERW-MRXNPFEDSA-N 2 2 308.470 0.711 10 0 DCAELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000116400106 395844058 /nfs/dbraw/zinc/84/40/58/395844058.db2.gz BEPWBUZKHFYERW-MRXNPFEDSA-N 2 2 308.470 0.711 10 0 DCAELP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247159090 395967528 /nfs/dbraw/zinc/96/75/28/395967528.db2.gz XXWIBCRESVKRAE-KBPBESRZSA-N 2 2 324.469 0.386 10 0 DCAELP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247159090 395967529 /nfs/dbraw/zinc/96/75/29/395967529.db2.gz XXWIBCRESVKRAE-KBPBESRZSA-N 2 2 324.469 0.386 10 0 DCAELP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000247159090 395967532 /nfs/dbraw/zinc/96/75/32/395967532.db2.gz XXWIBCRESVKRAE-KBPBESRZSA-N 2 2 324.469 0.386 10 0 DCAELP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000247159090 395967536 /nfs/dbraw/zinc/96/75/36/395967536.db2.gz XXWIBCRESVKRAE-KBPBESRZSA-N 2 2 324.469 0.386 10 0 DCAELP COC1(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC[NH2+]CC1 ZINC000261642321 396051935 /nfs/dbraw/zinc/05/19/35/396051935.db2.gz FAJMOKGXLXPHLT-UHFFFAOYSA-N 2 2 318.421 0.935 10 0 DCAELP COc1cc[nH+]cc1NC(=O)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000249251530 396004809 /nfs/dbraw/zinc/00/48/09/396004809.db2.gz XYIGEVSGANRBDB-NEPJUHHUSA-N 2 2 318.377 0.724 10 0 DCAELP COc1cc[nH+]cc1NC(=O)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000249251530 396004811 /nfs/dbraw/zinc/00/48/11/396004811.db2.gz XYIGEVSGANRBDB-NEPJUHHUSA-N 2 2 318.377 0.724 10 0 DCAELP O=C(CC[N@@H+]1CCO[C@@H](c2ccsc2)C1)N1CC[NH2+]CC1 ZINC000262225367 396112816 /nfs/dbraw/zinc/11/28/16/396112816.db2.gz UYEANECROMEENC-CQSZACIVSA-N 2 2 309.435 0.943 10 0 DCAELP O=C(CC[N@H+]1CCO[C@@H](c2ccsc2)C1)N1CC[NH2+]CC1 ZINC000262225367 396112821 /nfs/dbraw/zinc/11/28/21/396112821.db2.gz UYEANECROMEENC-CQSZACIVSA-N 2 2 309.435 0.943 10 0 DCAELP Cn1ncc2c1ncnc2N1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261890444 396076356 /nfs/dbraw/zinc/07/63/56/396076356.db2.gz SYFOPHMHVSIIKR-INIZCTEOSA-N 2 2 315.425 0.485 10 0 DCAELP [NH3+]CC1(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CCOCC1 ZINC000261942503 396081413 /nfs/dbraw/zinc/08/14/13/396081413.db2.gz UZLVQBSGCPAEDQ-UHFFFAOYSA-N 2 2 318.421 0.922 10 0 DCAELP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261965994 396084783 /nfs/dbraw/zinc/08/47/83/396084783.db2.gz HTGSNVPLAMXQMC-WBVHZDCISA-N 2 2 308.470 0.615 10 0 DCAELP CCn1ncnc1C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000193438776 396451521 /nfs/dbraw/zinc/45/15/21/396451521.db2.gz KHSBEEJGRGHKEG-OAHLLOKOSA-N 2 2 306.458 0.900 10 0 DCAELP CCn1ncnc1C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000193438776 396451522 /nfs/dbraw/zinc/45/15/22/396451522.db2.gz KHSBEEJGRGHKEG-OAHLLOKOSA-N 2 2 306.458 0.900 10 0 DCAELP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)C[N@@H+]1C1CC1 ZINC000527752831 396547593 /nfs/dbraw/zinc/54/75/93/396547593.db2.gz IUSIVPWLMLBMAK-IIDMSEBBSA-N 2 2 323.481 0.817 10 0 DCAELP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)C[N@H+]1C1CC1 ZINC000527752831 396547595 /nfs/dbraw/zinc/54/75/95/396547595.db2.gz IUSIVPWLMLBMAK-IIDMSEBBSA-N 2 2 323.481 0.817 10 0 DCAELP Cn1cc[nH+]c1CC1CC[NH+](CC(=O)NC2CCOCC2)CC1 ZINC000105876827 158131323 /nfs/dbraw/zinc/13/13/23/158131323.db2.gz KJELHTSSICSMHL-UHFFFAOYSA-N 2 2 320.437 0.970 10 0 DCAELP CCS(=O)(=O)NCC[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000123644580 158233224 /nfs/dbraw/zinc/23/32/24/158233224.db2.gz RCEJOZQACYAWBS-ZDUSSCGKSA-N 2 2 314.455 0.614 10 0 DCAELP CCS(=O)(=O)NCC[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000123644580 158233225 /nfs/dbraw/zinc/23/32/25/158233225.db2.gz RCEJOZQACYAWBS-ZDUSSCGKSA-N 2 2 314.455 0.614 10 0 DCAELP O=C(N1CC[NH+](C[C@@H](O)c2ccccc2)CC1)[C@]1(F)CC[NH2+]C1 ZINC000167975148 158371060 /nfs/dbraw/zinc/37/10/60/158371060.db2.gz XAXNQODQLGBEDQ-WBVHZDCISA-N 2 2 321.396 0.566 10 0 DCAELP Cn1cc[nH+]c1[C@H]1CN(C(=O)NC[C@H]2CCC[N@@H+]2C)CCN1C ZINC000275350258 415378250 /nfs/dbraw/zinc/37/82/50/415378250.db2.gz IBGYEUDISZHSIL-ZIAGYGMSSA-N 2 2 320.441 0.512 10 0 DCAELP Cn1cc[nH+]c1[C@H]1CN(C(=O)NC[C@H]2CCC[N@H+]2C)CCN1C ZINC000275350258 415378257 /nfs/dbraw/zinc/37/82/57/415378257.db2.gz IBGYEUDISZHSIL-ZIAGYGMSSA-N 2 2 320.441 0.512 10 0 DCAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCNS(C)(=O)=O)C1 ZINC000107304836 415662930 /nfs/dbraw/zinc/66/29/30/415662930.db2.gz GFLALNTUWHXBFD-GFCCVEGCSA-N 2 2 300.428 0.632 10 0 DCAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000107304836 415662937 /nfs/dbraw/zinc/66/29/37/415662937.db2.gz GFLALNTUWHXBFD-GFCCVEGCSA-N 2 2 300.428 0.632 10 0 DCAELP C[NH+](C)[C@@H](C(=O)NC[C@@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC000132950418 415939408 /nfs/dbraw/zinc/93/94/08/415939408.db2.gz QDQNPMPUMZOPRH-HZPDHXFCSA-N 2 2 321.421 0.099 10 0 DCAELP CC[NH+](CC)[C@@H](C)CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173799071 416066198 /nfs/dbraw/zinc/06/61/98/416066198.db2.gz IOICCCTWFRLYNH-LSDHHAIUSA-N 2 2 312.458 0.833 10 0 DCAELP [NH3+]C1(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)Cc2ccccc2C1 ZINC000165521292 416021563 /nfs/dbraw/zinc/02/15/63/416021563.db2.gz WRSLMBLRYOQFPG-MRXNPFEDSA-N 2 2 315.417 0.416 10 0 DCAELP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000176003484 416117693 /nfs/dbraw/zinc/11/76/93/416117693.db2.gz HCAQLPKDCAVGDB-MRXNPFEDSA-N 2 2 310.486 0.955 10 0 DCAELP CC(C)[N@@H+](C)CC(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000176003484 416117698 /nfs/dbraw/zinc/11/76/98/416117698.db2.gz HCAQLPKDCAVGDB-MRXNPFEDSA-N 2 2 310.486 0.955 10 0 DCAELP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCCC(=O)NC(N)=O)C1 ZINC000179429350 416187046 /nfs/dbraw/zinc/18/70/46/416187046.db2.gz HVKOWNFUMLWBDT-GFCCVEGCSA-N 2 2 307.398 0.650 10 0 DCAELP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCCC(=O)NC(N)=O)C1 ZINC000179429350 416187051 /nfs/dbraw/zinc/18/70/51/416187051.db2.gz HVKOWNFUMLWBDT-GFCCVEGCSA-N 2 2 307.398 0.650 10 0 DCAELP CNc1cc(N2CCC[C@H]2CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)nc[nH+]1 ZINC000188925926 416264471 /nfs/dbraw/zinc/26/44/71/416264471.db2.gz GKSHWXSDEBPWRC-SDDRHHMPSA-N 2 2 322.388 0.303 10 0 DCAELP CNc1cc(N2CCC[C@H]2CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)[nH+]cn1 ZINC000188925926 416264475 /nfs/dbraw/zinc/26/44/75/416264475.db2.gz GKSHWXSDEBPWRC-SDDRHHMPSA-N 2 2 322.388 0.303 10 0 DCAELP O=C(NCCNc1cccc[nH+]1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000557354736 416730594 /nfs/dbraw/zinc/73/05/94/416730594.db2.gz LQLOYJRFIKJIQQ-UHFFFAOYSA-N 2 2 324.344 0.896 10 0 DCAELP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000631832866 416756650 /nfs/dbraw/zinc/75/66/50/416756650.db2.gz ORMQBLLEIPNKLS-DZGCQCFKSA-N 2 2 310.442 0.269 10 0 DCAELP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000631832866 416756661 /nfs/dbraw/zinc/75/66/61/416756661.db2.gz ORMQBLLEIPNKLS-DZGCQCFKSA-N 2 2 310.442 0.269 10 0 DCAELP O=C([C@@H]1OCC[C@@H]1Cn1cc[nH+]c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000621837363 417314427 /nfs/dbraw/zinc/31/44/27/417314427.db2.gz GBQIUGJLVKIZIE-OWCLPIDISA-N 2 2 318.421 0.985 10 0 DCAELP O=S1(=O)CCC[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000634955722 417548865 /nfs/dbraw/zinc/54/88/65/417548865.db2.gz OPEMOYFMSSENPO-KGLIPLIRSA-N 2 2 304.456 0.390 10 0 DCAELP c1nn[nH]c1C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631179437 417837705 /nfs/dbraw/zinc/83/77/05/417837705.db2.gz CTOUQZGWAIRCIM-UHFFFAOYSA-N 2 2 317.393 0.806 10 0 DCAELP COCC[NH+]1CCN(C(=O)NCC[N@H+]2CC=C(C)CC2)CC1 ZINC000358645542 271062517 /nfs/dbraw/zinc/06/25/17/271062517.db2.gz CWKINBYQPLOPDD-UHFFFAOYSA-N 2 2 310.442 0.612 10 0 DCAELP COCC[NH+]1CCN(C(=O)NCC[N@@H+]2CC=C(C)CC2)CC1 ZINC000358645542 271062520 /nfs/dbraw/zinc/06/25/20/271062520.db2.gz CWKINBYQPLOPDD-UHFFFAOYSA-N 2 2 310.442 0.612 10 0 DCAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC000174816797 278074762 /nfs/dbraw/zinc/07/47/62/278074762.db2.gz BTUGWQZMEDZURL-AWEZNQCLSA-N 2 2 306.410 0.759 10 0 DCAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC000174816797 278074763 /nfs/dbraw/zinc/07/47/63/278074763.db2.gz BTUGWQZMEDZURL-AWEZNQCLSA-N 2 2 306.410 0.759 10 0 DCAELP C[N@@H+]1CCO[C@H](C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000245495826 290100150 /nfs/dbraw/zinc/10/01/50/290100150.db2.gz QFOSOWPAOBGUEV-GJZGRUSLSA-N 2 2 311.426 0.030 10 0 DCAELP C[N@H+]1CCO[C@H](C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000245495826 290100153 /nfs/dbraw/zinc/10/01/53/290100153.db2.gz QFOSOWPAOBGUEV-GJZGRUSLSA-N 2 2 311.426 0.030 10 0 DCAELP NC(=O)c1cnn2c1C[C@H](C[NH2+]Cc1cccc3[nH+]ccn31)CC2 ZINC000299742240 534513535 /nfs/dbraw/zinc/51/35/35/534513535.db2.gz JDUQWAMXQGPKIE-GFCCVEGCSA-N 2 2 324.388 0.982 10 0 DCAELP CC1(OCC(=O)N2CC[NH+](Cc3cccs3)CC2)C[NH2+]C1 ZINC000098061566 545729279 /nfs/dbraw/zinc/72/92/79/545729279.db2.gz PASDLYGWWDMLJK-UHFFFAOYSA-N 2 2 309.435 0.771 10 0 DCAELP C[C@@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)[C@@H]1CCCO1 ZINC000183122986 545907081 /nfs/dbraw/zinc/90/70/81/545907081.db2.gz JHJMXXFDFBLWNS-KGLIPLIRSA-N 2 2 313.442 0.371 10 0 DCAELP C[C@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)[C@H]1CCCO1 ZINC000183123003 545907431 /nfs/dbraw/zinc/90/74/31/545907431.db2.gz JHJMXXFDFBLWNS-UONOGXRCSA-N 2 2 313.442 0.371 10 0 DCAELP CN1CCN(C(=O)NC2CC[NH+](C)CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000681853925 548306925 /nfs/dbraw/zinc/30/69/25/548306925.db2.gz WEVOTJUGJGYDSO-CYBMUJFWSA-N 2 2 306.414 0.502 10 0 DCAELP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000180534256 199172756 /nfs/dbraw/zinc/17/27/56/199172756.db2.gz METDFIGJBLQDFS-CYBMUJFWSA-N 2 2 311.426 0.424 10 0 DCAELP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000180534256 199172757 /nfs/dbraw/zinc/17/27/57/199172757.db2.gz METDFIGJBLQDFS-CYBMUJFWSA-N 2 2 311.426 0.424 10 0 DCAELP C[C@]1(C[N@@H+]2CCCN(S(=O)(=O)C3CC3)CC2)CC[NH2+]C1 ZINC000261982895 291380314 /nfs/dbraw/zinc/38/03/14/291380314.db2.gz JKQHQTMSENDYBB-AWEZNQCLSA-N 2 2 301.456 0.486 10 0 DCAELP C[C@]1(C[N@H+]2CCCN(S(=O)(=O)C3CC3)CC2)CC[NH2+]C1 ZINC000261982895 291380315 /nfs/dbraw/zinc/38/03/15/291380315.db2.gz JKQHQTMSENDYBB-AWEZNQCLSA-N 2 2 301.456 0.486 10 0 DCAELP C[NH+]1CCN(Nc2[nH+]cnc(-n3cnc4ccccc43)c2N)CC1 ZINC000040757085 183129925 /nfs/dbraw/zinc/12/99/25/183129925.db2.gz GDWYFFRLUKHAKK-UHFFFAOYSA-N 2 2 324.392 0.972 10 0 DCAELP C[N@@H+]1CCO[C@H](CNC(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000104780526 194038255 /nfs/dbraw/zinc/03/82/55/194038255.db2.gz UUWXBXFFPFNHEN-CQSZACIVSA-N 2 2 317.393 0.507 10 0 DCAELP C[N@H+]1CCO[C@H](CNC(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000104780526 194038257 /nfs/dbraw/zinc/03/82/57/194038257.db2.gz UUWXBXFFPFNHEN-CQSZACIVSA-N 2 2 317.393 0.507 10 0 DCAELP CC(C)[C@@H](CNC(=O)N1CC[NH+](C2CC2)CC1)[NH+]1CCOCC1 ZINC000105103801 194074488 /nfs/dbraw/zinc/07/44/88/194074488.db2.gz DSWHFLXYHYSOED-MRXNPFEDSA-N 2 2 324.469 0.833 10 0 DCAELP O=C1C[C@@H]2[C@H](CC[N@@H+]2Cc2ccoc2)N1CC[NH+]1CCOCC1 ZINC000247788005 257116836 /nfs/dbraw/zinc/11/68/36/257116836.db2.gz ANHBYHPDOPZVOO-JKSUJKDBSA-N 2 2 319.405 0.787 10 0 DCAELP O=C1C[C@@H]2[C@H](CC[N@H+]2Cc2ccoc2)N1CC[NH+]1CCOCC1 ZINC000247788005 257116837 /nfs/dbraw/zinc/11/68/37/257116837.db2.gz ANHBYHPDOPZVOO-JKSUJKDBSA-N 2 2 319.405 0.787 10 0 DCAELP C[C@H]1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@H]1O ZINC000090149578 395718754 /nfs/dbraw/zinc/71/87/54/395718754.db2.gz PSYLZXBLEOAOFL-DZGCQCFKSA-N 2 2 312.458 0.425 10 0 DCAELP Cc1[nH+]ccn1-c1cncc(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)n1 ZINC000092922239 395734550 /nfs/dbraw/zinc/73/45/50/395734550.db2.gz BRSITHQIBFUYPX-CHWSQXEVSA-N 2 2 300.366 0.490 10 0 DCAELP Cc1[nH+]ccn1-c1cncc(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)n1 ZINC000092922239 395734551 /nfs/dbraw/zinc/73/45/51/395734551.db2.gz BRSITHQIBFUYPX-CHWSQXEVSA-N 2 2 300.366 0.490 10 0 DCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106431969 395782666 /nfs/dbraw/zinc/78/26/66/395782666.db2.gz IELFAVUCLWLYQI-NVXWUHKLSA-N 2 2 319.449 0.996 10 0 DCAELP C[C@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193651093 395775973 /nfs/dbraw/zinc/77/59/73/395775973.db2.gz WSVXXVCRFMEJGN-BYNSBNAKSA-N 2 2 322.453 0.884 10 0 DCAELP C[C@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193651093 395775976 /nfs/dbraw/zinc/77/59/76/395775976.db2.gz WSVXXVCRFMEJGN-BYNSBNAKSA-N 2 2 322.453 0.884 10 0 DCAELP C[C@H]1CCCC[C@H]1NC(=O)NC(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193651093 395775979 /nfs/dbraw/zinc/77/59/79/395775979.db2.gz WSVXXVCRFMEJGN-BYNSBNAKSA-N 2 2 322.453 0.884 10 0 DCAELP C[C@H]1CCCC[C@H]1NC(=O)NC(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193651093 395775980 /nfs/dbraw/zinc/77/59/80/395775980.db2.gz WSVXXVCRFMEJGN-BYNSBNAKSA-N 2 2 322.453 0.884 10 0 DCAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC000195298104 395823541 /nfs/dbraw/zinc/82/35/41/395823541.db2.gz YIQQQFVNJDWCBB-CYBMUJFWSA-N 2 2 305.382 0.030 10 0 DCAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC000195298104 395823543 /nfs/dbraw/zinc/82/35/43/395823543.db2.gz YIQQQFVNJDWCBB-CYBMUJFWSA-N 2 2 305.382 0.030 10 0 DCAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC000195298104 395823546 /nfs/dbraw/zinc/82/35/46/395823546.db2.gz YIQQQFVNJDWCBB-CYBMUJFWSA-N 2 2 305.382 0.030 10 0 DCAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC000195298104 395823548 /nfs/dbraw/zinc/82/35/48/395823548.db2.gz YIQQQFVNJDWCBB-CYBMUJFWSA-N 2 2 305.382 0.030 10 0 DCAELP COC(=O)CCNC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515799 395830353 /nfs/dbraw/zinc/83/03/53/395830353.db2.gz IKKFHDQBUJEBBT-CYBMUJFWSA-N 2 2 320.393 0.495 10 0 DCAELP COC(=O)CCNC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515799 395830356 /nfs/dbraw/zinc/83/03/56/395830356.db2.gz IKKFHDQBUJEBBT-CYBMUJFWSA-N 2 2 320.393 0.495 10 0 DCAELP C[NH2+]C1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000237112999 395902915 /nfs/dbraw/zinc/90/29/15/395902915.db2.gz JCIJGZROCIJRNT-UHFFFAOYSA-N 2 2 317.437 0.414 10 0 DCAELP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000237433321 395912556 /nfs/dbraw/zinc/91/25/56/395912556.db2.gz MSQADMZXUVHZQY-HZSPNIEDSA-N 2 2 322.453 0.315 10 0 DCAELP COC(=O)[C@@H](CC(C)C)NC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000247150016 395967700 /nfs/dbraw/zinc/96/77/00/395967700.db2.gz KAMACRXKINGWQF-UONOGXRCSA-N 2 2 313.442 0.574 10 0 DCAELP COC(=O)[C@@H](CC(C)C)NC(=O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000247150016 395967702 /nfs/dbraw/zinc/96/77/02/395967702.db2.gz KAMACRXKINGWQF-UONOGXRCSA-N 2 2 313.442 0.574 10 0 DCAELP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247309325 395971513 /nfs/dbraw/zinc/97/15/13/395971513.db2.gz NXQDKLBXTFTMLT-OAGGEKHMSA-N 2 2 323.485 0.500 10 0 DCAELP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247309325 395971516 /nfs/dbraw/zinc/97/15/16/395971516.db2.gz NXQDKLBXTFTMLT-OAGGEKHMSA-N 2 2 323.485 0.500 10 0 DCAELP Cn1ccnc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)[C@@H]1CCOC1=O ZINC000276231088 395989295 /nfs/dbraw/zinc/98/92/95/395989295.db2.gz DZONTRYUZZNNQQ-RWMBFGLXSA-N 2 2 310.373 0.580 10 0 DCAELP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@H+](C)[C@@H]1CCOC1=O ZINC000276231088 395989298 /nfs/dbraw/zinc/98/92/98/395989298.db2.gz DZONTRYUZZNNQQ-RWMBFGLXSA-N 2 2 310.373 0.580 10 0 DCAELP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)[C@@H]1CCOC1=O ZINC000276231088 395989301 /nfs/dbraw/zinc/98/93/01/395989301.db2.gz DZONTRYUZZNNQQ-RWMBFGLXSA-N 2 2 310.373 0.580 10 0 DCAELP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262530547 396151532 /nfs/dbraw/zinc/15/15/32/396151532.db2.gz PMZSKAVEDDKFEY-KBPBESRZSA-N 2 2 304.394 0.411 10 0 DCAELP CC(C)OCC[NH+]1CCC(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263002810 396196989 /nfs/dbraw/zinc/19/69/89/396196989.db2.gz OXUCKTFPDJFQRT-ZDUSSCGKSA-N 2 2 319.396 0.989 10 0 DCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263025962 396198306 /nfs/dbraw/zinc/19/83/06/396198306.db2.gz RKHZBIIHDLJOHZ-NWDGAFQWSA-N 2 2 305.369 0.457 10 0 DCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263025962 396198312 /nfs/dbraw/zinc/19/83/12/396198312.db2.gz RKHZBIIHDLJOHZ-NWDGAFQWSA-N 2 2 305.369 0.457 10 0 DCAELP COc1cccc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c1OC(F)F ZINC000263171388 396204590 /nfs/dbraw/zinc/20/45/90/396204590.db2.gz FUKKKDUCXKYZSB-MNOVXSKESA-N 2 2 302.321 0.967 10 0 DCAELP CC[N@H+](CCO)CCNC1CC[NH+](Cc2cccnc2)CC1 ZINC000186577832 396352648 /nfs/dbraw/zinc/35/26/48/396352648.db2.gz JAPSYBFWEFHYEE-UHFFFAOYSA-N 2 2 306.454 0.950 10 0 DCAELP CC[N@@H+](CCO)CCNC1CC[NH+](Cc2cccnc2)CC1 ZINC000186577832 396352650 /nfs/dbraw/zinc/35/26/50/396352650.db2.gz JAPSYBFWEFHYEE-UHFFFAOYSA-N 2 2 306.454 0.950 10 0 DCAELP C[C@H]1CCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)C[C@@H]1n1cc[nH+]c1 ZINC000188948834 396389227 /nfs/dbraw/zinc/38/92/27/396389227.db2.gz FKHADGJSNCNDKL-FZMZJTMJSA-N 2 2 314.393 0.975 10 0 DCAELP CC[NH+](CC)[C@@H](C)CNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000192788197 396437267 /nfs/dbraw/zinc/43/72/67/396437267.db2.gz IKMVUFFEPZTAJI-KGLIPLIRSA-N 2 2 300.447 0.737 10 0 DCAELP CC(C)[NH2+]CCN1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC000193437922 396451497 /nfs/dbraw/zinc/45/14/97/396451497.db2.gz YMNMGUGCFMEDDZ-QGZVFWFLSA-N 2 2 312.502 0.711 10 0 DCAELP CC(=O)N1CCN(C(=O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)CC1 ZINC000374208039 396647071 /nfs/dbraw/zinc/64/70/71/396647071.db2.gz KUGUDRHTAUAPRE-UHFFFAOYSA-N 2 2 319.409 0.280 10 0 DCAELP CC(=O)N1CCN(C(=O)C[NH+]2CCC(c3c[nH+]c[nH]3)CC2)CC1 ZINC000374208039 396647072 /nfs/dbraw/zinc/64/70/72/396647072.db2.gz KUGUDRHTAUAPRE-UHFFFAOYSA-N 2 2 319.409 0.280 10 0 DCAELP C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000590344200 396760203 /nfs/dbraw/zinc/76/02/03/396760203.db2.gz YKHGUPKDPSELFX-LBPRGKRZSA-N 2 2 305.386 0.851 10 0 DCAELP CC(=O)N1CC[C@@](C)(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1 ZINC000617766010 396822415 /nfs/dbraw/zinc/82/24/15/396822415.db2.gz ZBFRPPUBROUAGJ-MRXNPFEDSA-N 2 2 312.458 0.245 10 0 DCAELP CC(=O)N1CC[C@@](C)(C(=O)NCC[N@H+](C)CCC[NH+](C)C)C1 ZINC000617766010 396822423 /nfs/dbraw/zinc/82/24/23/396822423.db2.gz ZBFRPPUBROUAGJ-MRXNPFEDSA-N 2 2 312.458 0.245 10 0 DCAELP C[C@H](CNC[C@H](O)C[NH+]1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000390706980 397302214 /nfs/dbraw/zinc/30/22/14/397302214.db2.gz RMJBMFDAFWPQTJ-AEFFLSMTSA-N 2 2 321.465 0.790 10 0 DCAELP C[C@H](CNC[C@H](O)C[NH+]1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000390706980 397302215 /nfs/dbraw/zinc/30/22/15/397302215.db2.gz RMJBMFDAFWPQTJ-AEFFLSMTSA-N 2 2 321.465 0.790 10 0 DCAELP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000578422398 397432712 /nfs/dbraw/zinc/43/27/12/397432712.db2.gz TYRWRSPRIPCBMB-VXGBXAGGSA-N 2 2 315.377 0.824 10 0 DCAELP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000578422398 397432719 /nfs/dbraw/zinc/43/27/19/397432719.db2.gz TYRWRSPRIPCBMB-VXGBXAGGSA-N 2 2 315.377 0.824 10 0 DCAELP CC(C)c1[nH+]c2c(n1C)CCN(CC(=O)N1CC[NH+](C)CC1)C2 ZINC000121035504 158206707 /nfs/dbraw/zinc/20/67/07/158206707.db2.gz FDFQTSQTNXGNNK-UHFFFAOYSA-N 2 2 319.453 0.676 10 0 DCAELP CC1(C)C[N@H+](CCNC(=O)N2CC[NH+]3CCC[C@@H]3C2)CCO1 ZINC000171906248 158388850 /nfs/dbraw/zinc/38/88/50/158388850.db2.gz RFSSUHDGVKYBEZ-CQSZACIVSA-N 2 2 310.442 0.587 10 0 DCAELP CC1(C)C[N@@H+](CCNC(=O)N2CC[NH+]3CCC[C@@H]3C2)CCO1 ZINC000171906248 158388851 /nfs/dbraw/zinc/38/88/51/158388851.db2.gz RFSSUHDGVKYBEZ-CQSZACIVSA-N 2 2 310.442 0.587 10 0 DCAELP CC1(C)C[NH+](CCNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CCO1 ZINC000171906248 158388853 /nfs/dbraw/zinc/38/88/53/158388853.db2.gz RFSSUHDGVKYBEZ-CQSZACIVSA-N 2 2 310.442 0.587 10 0 DCAELP CC1(C)C[NH+](CCNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)CCO1 ZINC000171906248 158388854 /nfs/dbraw/zinc/38/88/54/158388854.db2.gz RFSSUHDGVKYBEZ-CQSZACIVSA-N 2 2 310.442 0.587 10 0 DCAELP CC(=O)N(C)CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000172752279 158398583 /nfs/dbraw/zinc/39/85/83/158398583.db2.gz UXHJGMGFENXNOO-UHFFFAOYSA-N 2 2 324.469 0.531 10 0 DCAELP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000079252039 415471871 /nfs/dbraw/zinc/47/18/71/415471871.db2.gz OYJIWUBEHOFYEE-OAHLLOKOSA-N 2 2 314.474 0.936 10 0 DCAELP CCC[NH+]1CCC(N(C)C(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000105283353 415631914 /nfs/dbraw/zinc/63/19/14/415631914.db2.gz ANHOEXBSNKRTHO-HNNXBMFYSA-N 2 2 312.458 0.833 10 0 DCAELP CCC[NH+]1CCC(N(C)C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000105283353 415631915 /nfs/dbraw/zinc/63/19/15/415631915.db2.gz ANHOEXBSNKRTHO-HNNXBMFYSA-N 2 2 312.458 0.833 10 0 DCAELP Cn1ncc2c1nc(N1CCC[C@H]([C@@H]3CC[NH2+]C3)C1)[nH+]c2N ZINC000333899839 415761998 /nfs/dbraw/zinc/76/19/98/415761998.db2.gz YXZCJCJLHLJKOE-MNOVXSKESA-N 2 2 301.398 0.771 10 0 DCAELP C[C@@H](O)[C@@H]1CCN(c2cc(N3CC[NH+](C4CC4)CC3)nc[nH+]2)C1 ZINC000334027154 415788469 /nfs/dbraw/zinc/78/84/69/415788469.db2.gz HXOPNKFHMMBTEC-ZIAGYGMSSA-N 2 2 317.437 0.968 10 0 DCAELP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173800014 416065246 /nfs/dbraw/zinc/06/52/46/416065246.db2.gz HHVAFAYJSJFEHB-JKSUJKDBSA-N 2 2 324.469 0.977 10 0 DCAELP C[C@@H](CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)[NH+]1CCOCC1 ZINC000173825788 416065444 /nfs/dbraw/zinc/06/54/44/416065444.db2.gz CTOKVHOOJCJUAS-GJZGRUSLSA-N 2 2 308.426 0.363 10 0 DCAELP c1c[nH+]c(N2CCN(c3cc[nH+]c(N4CCOCC4)n3)CC2)[nH]1 ZINC000357685065 416116511 /nfs/dbraw/zinc/11/65/11/416116511.db2.gz YHDOEUQGHQKKIZ-UHFFFAOYSA-N 2 2 315.381 0.363 10 0 DCAELP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H]3CCNC3=O)CC2)CC1 ZINC000178201474 416159249 /nfs/dbraw/zinc/15/92/49/416159249.db2.gz COPFOLRDXANLCV-HNNXBMFYSA-N 2 2 322.453 0.141 10 0 DCAELP CCN1CC[NH+](CCCNC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000183512800 416243829 /nfs/dbraw/zinc/24/38/29/416243829.db2.gz AXOBLIKRNIFWHA-UHFFFAOYSA-N 2 2 319.453 0.905 10 0 DCAELP C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000575344467 417529789 /nfs/dbraw/zinc/52/97/89/417529789.db2.gz GEWKBGYVQQTKOJ-NSHDSACASA-N 2 2 301.350 0.341 10 0 DCAELP C[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000575344467 417529795 /nfs/dbraw/zinc/52/97/95/417529795.db2.gz GEWKBGYVQQTKOJ-NSHDSACASA-N 2 2 301.350 0.341 10 0 DCAELP CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000662743304 417881280 /nfs/dbraw/zinc/88/12/80/417881280.db2.gz XDLVCZKTPDYCJY-IRXDYDNUSA-N 2 2 316.449 0.528 10 0 DCAELP CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000662743304 417881283 /nfs/dbraw/zinc/88/12/83/417881283.db2.gz XDLVCZKTPDYCJY-IRXDYDNUSA-N 2 2 316.449 0.528 10 0 DCAELP C[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC[N@@H+]1CCO ZINC000250121732 261166607 /nfs/dbraw/zinc/16/66/07/261166607.db2.gz VKLXFUFNANBSSW-WBVHZDCISA-N 2 2 319.449 0.684 10 0 DCAELP C[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC[N@H+]1CCO ZINC000250121732 261166611 /nfs/dbraw/zinc/16/66/11/261166611.db2.gz VKLXFUFNANBSSW-WBVHZDCISA-N 2 2 319.449 0.684 10 0 DCAELP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@@H]1C ZINC000363546028 262120983 /nfs/dbraw/zinc/12/09/83/262120983.db2.gz NHOXEOIJJLDZEV-MELADBBJSA-N 2 2 306.410 0.359 10 0 DCAELP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@@H]1C ZINC000363546028 262120985 /nfs/dbraw/zinc/12/09/85/262120985.db2.gz NHOXEOIJJLDZEV-MELADBBJSA-N 2 2 306.410 0.359 10 0 DCAELP COC[C@H](O)C[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000364701026 277264001 /nfs/dbraw/zinc/26/40/01/277264001.db2.gz CCBTVWYSBVVTSV-NUEKZKHPSA-N 2 2 310.442 0.742 10 0 DCAELP COC[C@H](O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000364701026 277264002 /nfs/dbraw/zinc/26/40/02/277264002.db2.gz CCBTVWYSBVVTSV-NUEKZKHPSA-N 2 2 310.442 0.742 10 0 DCAELP COC[C@H](O)C[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000364701026 277264003 /nfs/dbraw/zinc/26/40/03/277264003.db2.gz CCBTVWYSBVVTSV-NUEKZKHPSA-N 2 2 310.442 0.742 10 0 DCAELP COC[C@H](O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000364701026 277264004 /nfs/dbraw/zinc/26/40/04/277264004.db2.gz CCBTVWYSBVVTSV-NUEKZKHPSA-N 2 2 310.442 0.742 10 0 DCAELP CS(=O)(=O)NCc1c[nH+]c2n1CC[N@@H+](Cc1ccoc1)CC2 ZINC000096197016 278113835 /nfs/dbraw/zinc/11/38/35/278113835.db2.gz AAPGKZBGBYGLDB-UHFFFAOYSA-N 2 2 324.406 0.584 10 0 DCAELP CS(=O)(=O)NCc1c[nH+]c2n1CC[N@H+](Cc1ccoc1)CC2 ZINC000096197016 278113836 /nfs/dbraw/zinc/11/38/36/278113836.db2.gz AAPGKZBGBYGLDB-UHFFFAOYSA-N 2 2 324.406 0.584 10 0 DCAELP CC(=O)N[C@@H](C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000172749445 278128907 /nfs/dbraw/zinc/12/89/07/278128907.db2.gz RBAPNUYCCBXPTK-AWEZNQCLSA-N 2 2 324.469 0.578 10 0 DCAELP CC(=O)N[C@H](C)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000408078033 278162782 /nfs/dbraw/zinc/16/27/82/278162782.db2.gz GAXCWLRGNLOOIW-QWHCGFSZSA-N 2 2 310.442 0.138 10 0 DCAELP CC(=O)N[C@H](C)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000408078033 278162783 /nfs/dbraw/zinc/16/27/83/278162783.db2.gz GAXCWLRGNLOOIW-QWHCGFSZSA-N 2 2 310.442 0.138 10 0 DCAELP C[C@H](O)C[N@@H+]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC000248428907 290110762 /nfs/dbraw/zinc/11/07/62/290110762.db2.gz PQOPHMPZXAPMTL-STQMWFEESA-N 2 2 306.410 0.675 10 0 DCAELP C[C@H](O)C[N@H+]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC000248428907 290110766 /nfs/dbraw/zinc/11/07/66/290110766.db2.gz PQOPHMPZXAPMTL-STQMWFEESA-N 2 2 306.410 0.675 10 0 DCAELP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000245996576 521835635 /nfs/dbraw/zinc/83/56/35/521835635.db2.gz RJGZGCMUXFQKQZ-YWPYICTPSA-N 2 2 320.441 0.977 10 0 DCAELP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000245996576 521835640 /nfs/dbraw/zinc/83/56/40/521835640.db2.gz RJGZGCMUXFQKQZ-YWPYICTPSA-N 2 2 320.441 0.977 10 0 DCAELP Cn1nccc1CCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000128245602 524039417 /nfs/dbraw/zinc/03/94/17/524039417.db2.gz BYFJMSVYWHETJD-UHFFFAOYSA-N 2 2 307.442 0.495 10 0 DCAELP C[C@H](CNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000246948526 524431514 /nfs/dbraw/zinc/43/15/14/524431514.db2.gz HYCVHRJUDAADMF-QLFBSQMISA-N 2 2 312.458 0.879 10 0 DCAELP C[C@H]1[NH2+]CCC[C@H]1Nc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000333137789 546072594 /nfs/dbraw/zinc/07/25/94/546072594.db2.gz BVIPXXOPZPMZCO-VXGBXAGGSA-N 2 2 304.398 0.307 10 0 DCAELP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000333802822 546092850 /nfs/dbraw/zinc/09/28/50/546092850.db2.gz IBSPFZZDVBVQOA-CWRNSKLLSA-N 2 2 324.469 0.879 10 0 DCAELP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000333802822 546092852 /nfs/dbraw/zinc/09/28/52/546092852.db2.gz IBSPFZZDVBVQOA-CWRNSKLLSA-N 2 2 324.469 0.879 10 0 DCAELP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000105215156 194084864 /nfs/dbraw/zinc/08/48/64/194084864.db2.gz SOGUVEXYIGPEQE-JSGCOSHPSA-N 2 2 309.414 0.457 10 0 DCAELP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000105215156 194084866 /nfs/dbraw/zinc/08/48/66/194084866.db2.gz SOGUVEXYIGPEQE-JSGCOSHPSA-N 2 2 309.414 0.457 10 0 DCAELP CC(C)NC(=O)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863035 194149666 /nfs/dbraw/zinc/14/96/66/194149666.db2.gz JMOVEHTXSDDRLD-UHFFFAOYSA-N 2 2 307.442 0.804 10 0 DCAELP CC(C)NC(=O)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863035 194149667 /nfs/dbraw/zinc/14/96/67/194149667.db2.gz JMOVEHTXSDDRLD-UHFFFAOYSA-N 2 2 307.442 0.804 10 0 DCAELP CC[N@@H+]1CCC[C@@H](NC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000194130061 395789508 /nfs/dbraw/zinc/78/95/08/395789508.db2.gz SBOUAVGRYKHVSD-CQSZACIVSA-N 2 2 312.458 0.881 10 0 DCAELP CC[N@H+]1CCC[C@@H](NC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000194130061 395789511 /nfs/dbraw/zinc/78/95/11/395789511.db2.gz SBOUAVGRYKHVSD-CQSZACIVSA-N 2 2 312.458 0.881 10 0 DCAELP C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193655537 395775539 /nfs/dbraw/zinc/77/55/39/395775539.db2.gz QVFZZZDXQJIUQV-LPEHRKFASA-N 2 2 322.331 0.256 10 0 DCAELP C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193655537 395775543 /nfs/dbraw/zinc/77/55/43/395775543.db2.gz QVFZZZDXQJIUQV-LPEHRKFASA-N 2 2 322.331 0.256 10 0 DCAELP C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193655537 395775545 /nfs/dbraw/zinc/77/55/45/395775545.db2.gz QVFZZZDXQJIUQV-LPEHRKFASA-N 2 2 322.331 0.256 10 0 DCAELP C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193655537 395775546 /nfs/dbraw/zinc/77/55/46/395775546.db2.gz QVFZZZDXQJIUQV-LPEHRKFASA-N 2 2 322.331 0.256 10 0 DCAELP COc1cc[nH+]cc1NC(=O)C(=O)N1CCC([NH+](C)C)CC1 ZINC000195044145 395814517 /nfs/dbraw/zinc/81/45/17/395814517.db2.gz CDELNNOLISERGK-UHFFFAOYSA-N 2 2 306.366 0.581 10 0 DCAELP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)N1CCNC1=O ZINC000195515760 395830932 /nfs/dbraw/zinc/83/09/32/395830932.db2.gz ONZZMOKXMVXHIZ-GFCCVEGCSA-N 2 2 303.366 0.367 10 0 DCAELP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)N1CCNC1=O ZINC000195515760 395830933 /nfs/dbraw/zinc/83/09/33/395830933.db2.gz ONZZMOKXMVXHIZ-GFCCVEGCSA-N 2 2 303.366 0.367 10 0 DCAELP C[N@H+](CC(=O)NC(N)=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114200251 395833041 /nfs/dbraw/zinc/83/30/41/395833041.db2.gz WFARNHSLGWLRBP-UHFFFAOYSA-N 2 2 304.394 0.778 10 0 DCAELP C[N@@H+](CC(=O)NC(N)=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114200251 395833042 /nfs/dbraw/zinc/83/30/42/395833042.db2.gz WFARNHSLGWLRBP-UHFFFAOYSA-N 2 2 304.394 0.778 10 0 DCAELP C[C@@H]1CC[N@H+](Cc2cn(C)c(=O)n(C)c2=O)C[C@H]1n1cc[nH+]c1 ZINC000246084642 395940799 /nfs/dbraw/zinc/94/07/99/395940799.db2.gz IDNPBPOEBOLGDW-TZMCWYRMSA-N 2 2 317.393 0.364 10 0 DCAELP C[C@@H]1CC[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C[C@H]1n1cc[nH+]c1 ZINC000246084642 395940800 /nfs/dbraw/zinc/94/08/00/395940800.db2.gz IDNPBPOEBOLGDW-TZMCWYRMSA-N 2 2 317.393 0.364 10 0 DCAELP COCCCNC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000151109006 395979370 /nfs/dbraw/zinc/97/93/70/395979370.db2.gz JCDSIVVUTMNPSQ-AWEZNQCLSA-N 2 2 306.410 0.968 10 0 DCAELP COCCCNC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000151109006 395979373 /nfs/dbraw/zinc/97/93/73/395979373.db2.gz JCDSIVVUTMNPSQ-AWEZNQCLSA-N 2 2 306.410 0.968 10 0 DCAELP CCCCOC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000248651825 395992876 /nfs/dbraw/zinc/99/28/76/395992876.db2.gz NCEFCAXKDOXXHJ-HOTGVXAUSA-N 2 2 300.443 0.818 10 0 DCAELP CCCCOC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000248651825 395992879 /nfs/dbraw/zinc/99/28/79/395992879.db2.gz NCEFCAXKDOXXHJ-HOTGVXAUSA-N 2 2 300.443 0.818 10 0 DCAELP COc1ccccc1CC(=O)N[C@@H]1C[N@H+](C)C[C@H]1C[NH+](C)C ZINC000169790646 396093602 /nfs/dbraw/zinc/09/36/02/396093602.db2.gz GQFDSQLHYPYADB-HUUCEWRRSA-N 2 2 305.422 0.846 10 0 DCAELP COc1ccccc1CC(=O)N[C@@H]1C[N@@H+](C)C[C@H]1C[NH+](C)C ZINC000169790646 396093606 /nfs/dbraw/zinc/09/36/06/396093606.db2.gz GQFDSQLHYPYADB-HUUCEWRRSA-N 2 2 305.422 0.846 10 0 DCAELP Cn1nc(C(=O)N[C@@H]2C[N@H+](C)C[C@H]2C[NH+](C)C)c2ccccc21 ZINC000169790634 396093629 /nfs/dbraw/zinc/09/36/29/396093629.db2.gz WVBRTQVNGPDEKZ-TZMCWYRMSA-N 2 2 315.421 0.795 10 0 DCAELP Cn1nc(C(=O)N[C@@H]2C[N@@H+](C)C[C@H]2C[NH+](C)C)c2ccccc21 ZINC000169790634 396093633 /nfs/dbraw/zinc/09/36/33/396093633.db2.gz WVBRTQVNGPDEKZ-TZMCWYRMSA-N 2 2 315.421 0.795 10 0 DCAELP O=C(CC[N@@H+]1CCO[C@H](c2ccsc2)C1)N1CC[NH2+]CC1 ZINC000262225365 396113113 /nfs/dbraw/zinc/11/31/13/396113113.db2.gz UYEANECROMEENC-AWEZNQCLSA-N 2 2 309.435 0.943 10 0 DCAELP O=C(CC[N@H+]1CCO[C@H](c2ccsc2)C1)N1CC[NH2+]CC1 ZINC000262225365 396113114 /nfs/dbraw/zinc/11/31/14/396113114.db2.gz UYEANECROMEENC-AWEZNQCLSA-N 2 2 309.435 0.943 10 0 DCAELP COc1ccccc1C[NH+]1CCN(Cc2noc(C[NH3+])n2)CC1 ZINC000262295856 396119678 /nfs/dbraw/zinc/11/96/78/396119678.db2.gz WQESIQPPFKHKKM-UHFFFAOYSA-N 2 2 317.393 0.855 10 0 DCAELP COC[C@H]([NH3+])C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000262372284 396132131 /nfs/dbraw/zinc/13/21/31/396132131.db2.gz WWLULOHDRYHRRG-AWEZNQCLSA-N 3 2 312.458 0.027 10 0 DCAELP COC[C@H]([NH3+])C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000262372284 396132134 /nfs/dbraw/zinc/13/21/34/396132134.db2.gz WWLULOHDRYHRRG-AWEZNQCLSA-N 2 2 312.458 0.027 10 0 DCAELP C[N@H+](CCNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)C1CCCC1 ZINC000173827131 396136452 /nfs/dbraw/zinc/13/64/52/396136452.db2.gz AKICXNXBPYVHDJ-INIZCTEOSA-N 2 2 324.469 0.977 10 0 DCAELP C[N@@H+](CCNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)C1CCCC1 ZINC000173827131 396136455 /nfs/dbraw/zinc/13/64/55/396136455.db2.gz AKICXNXBPYVHDJ-INIZCTEOSA-N 2 2 324.469 0.977 10 0 DCAELP C([NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)c1nnc2n1CCCC2 ZINC000261956943 396084121 /nfs/dbraw/zinc/08/41/21/396084121.db2.gz OZZBPTAMNCXNHX-MJBXVCDLSA-N 2 2 305.426 0.861 10 0 DCAELP C[C@@H]([NH3+])CCC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000193303904 396448898 /nfs/dbraw/zinc/44/88/98/396448898.db2.gz VIGOFMFNNDEHTQ-OCCSQVGLSA-N 2 2 301.456 0.438 10 0 DCAELP c1nc(N2CCC[C@H]3C[NH2+]CC[C@H]32)cc(N2CCOCC2)[nH+]1 ZINC000634813009 396922276 /nfs/dbraw/zinc/92/22/76/396922276.db2.gz WWCSIRMKWARNNL-UONOGXRCSA-N 2 2 303.410 0.892 10 0 DCAELP c1nc(N2CCOCC2)cc(N2CCC[C@H]3C[NH2+]CC[C@H]32)[nH+]1 ZINC000634813009 396922285 /nfs/dbraw/zinc/92/22/85/396922285.db2.gz WWCSIRMKWARNNL-UONOGXRCSA-N 2 2 303.410 0.892 10 0 DCAELP CCS(=O)(=O)NCC[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000109329256 158136870 /nfs/dbraw/zinc/13/68/70/158136870.db2.gz LZTLGSAHQPYMRG-UHFFFAOYSA-N 2 2 314.455 0.614 10 0 DCAELP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CC1 ZINC000121115644 158208252 /nfs/dbraw/zinc/20/82/52/158208252.db2.gz HDLJJHZYHKVIQU-HNNXBMFYSA-N 3 2 317.437 0.589 10 0 DCAELP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CC1 ZINC000121115644 158208254 /nfs/dbraw/zinc/20/82/54/158208254.db2.gz HDLJJHZYHKVIQU-HNNXBMFYSA-N 3 2 317.437 0.589 10 0 DCAELP C[C@@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@H]1CO ZINC000189685941 158554259 /nfs/dbraw/zinc/55/42/59/158554259.db2.gz GBSUTEULIRBSKP-KGLIPLIRSA-N 2 2 312.458 0.282 10 0 DCAELP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)CC1 ZINC000318764173 159006504 /nfs/dbraw/zinc/00/65/04/159006504.db2.gz LOHPRODKBKDVJV-ARFHVFGLSA-N 2 2 309.454 0.776 10 0 DCAELP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)CC1 ZINC000318764173 159006506 /nfs/dbraw/zinc/00/65/06/159006506.db2.gz LOHPRODKBKDVJV-ARFHVFGLSA-N 2 2 309.454 0.776 10 0 DCAELP Cc1[nH+]ccn1-c1cncc(N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000328951624 159045982 /nfs/dbraw/zinc/04/59/82/159045982.db2.gz LSXJUJNDTVBEHI-UONOGXRCSA-N 2 2 314.393 0.880 10 0 DCAELP Cc1[nH+]ccn1-c1cncc(N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC000328951624 159045984 /nfs/dbraw/zinc/04/59/84/159045984.db2.gz LSXJUJNDTVBEHI-UONOGXRCSA-N 2 2 314.393 0.880 10 0 DCAELP Cc1[nH+]ccn1CC[NH+]1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000330070221 159139615 /nfs/dbraw/zinc/13/96/15/159139615.db2.gz HXUNMJMLPRSDTQ-UHFFFAOYSA-N 2 2 312.439 0.738 10 0 DCAELP CC[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000366813104 159289634 /nfs/dbraw/zinc/28/96/34/159289634.db2.gz WHPQTVZJHNWCKS-OLZOCXBDSA-N 2 2 306.410 0.745 10 0 DCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245659636 287071478 /nfs/dbraw/zinc/07/14/78/287071478.db2.gz CZCVYSSZOSQJQN-QLFBSQMISA-N 2 2 312.458 0.831 10 0 DCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245659636 287071481 /nfs/dbraw/zinc/07/14/81/287071481.db2.gz CZCVYSSZOSQJQN-QLFBSQMISA-N 2 2 312.458 0.831 10 0 DCAELP CN(CC[NH+]1CCOCC1)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106915792 415657002 /nfs/dbraw/zinc/65/70/02/415657002.db2.gz GPWBQMTYBQSKTR-QGZVFWFLSA-N 2 2 319.449 0.950 10 0 DCAELP C[NH+](C)Cc1cccc(C(=O)NC[C@H](O)C[NH+]2CCOCC2)c1 ZINC000128061524 415895299 /nfs/dbraw/zinc/89/52/99/415895299.db2.gz RZDDLJGSLQCFFD-INIZCTEOSA-N 2 2 321.421 0.171 10 0 DCAELP CCc1nnc(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1C ZINC000162188451 416015536 /nfs/dbraw/zinc/01/55/36/416015536.db2.gz OZULSCRWKYZGKP-UHFFFAOYSA-N 2 2 308.474 0.835 10 0 DCAELP CCc1nnc(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1C ZINC000162188451 416015541 /nfs/dbraw/zinc/01/55/41/416015541.db2.gz OZULSCRWKYZGKP-UHFFFAOYSA-N 2 2 308.474 0.835 10 0 DCAELP CC(C)C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH+]1CCOCC1 ZINC000174508792 416079431 /nfs/dbraw/zinc/07/94/31/416079431.db2.gz RGJXWULMOAAXRI-LSDHHAIUSA-N 2 2 313.442 0.180 10 0 DCAELP CC(C)C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH+]1CCOCC1 ZINC000174508792 416079432 /nfs/dbraw/zinc/07/94/32/416079432.db2.gz RGJXWULMOAAXRI-LSDHHAIUSA-N 2 2 313.442 0.180 10 0 DCAELP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000178886698 416175564 /nfs/dbraw/zinc/17/55/64/416175564.db2.gz QDHBSAANZQXHHN-HUUCEWRRSA-N 2 2 319.453 0.809 10 0 DCAELP CN(C[C@H]1CCCO1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179286210 416185114 /nfs/dbraw/zinc/18/51/14/416185114.db2.gz WRTDWHYDOWRMLJ-OAHLLOKOSA-N 2 2 312.458 0.833 10 0 DCAELP C[C@H](C[NH+]1CCOCC1)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000180478405 416198432 /nfs/dbraw/zinc/19/84/32/416198432.db2.gz RLJGZJLHCQODCO-MRXNPFEDSA-N 2 2 321.469 0.649 10 0 DCAELP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193604380 416318545 /nfs/dbraw/zinc/31/85/45/416318545.db2.gz MXEWAOBHTOUIGP-ZNMIVQPWSA-N 2 2 323.437 0.424 10 0 DCAELP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193604380 416318546 /nfs/dbraw/zinc/31/85/46/416318546.db2.gz MXEWAOBHTOUIGP-ZNMIVQPWSA-N 2 2 323.437 0.424 10 0 DCAELP CCOC(=O)[C@@H]1CCCCN1C(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193604380 416318549 /nfs/dbraw/zinc/31/85/49/416318549.db2.gz MXEWAOBHTOUIGP-ZNMIVQPWSA-N 2 2 323.437 0.424 10 0 DCAELP CCOC(=O)[C@@H]1CCCCN1C(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193604380 416318552 /nfs/dbraw/zinc/31/85/52/416318552.db2.gz MXEWAOBHTOUIGP-ZNMIVQPWSA-N 2 2 323.437 0.424 10 0 DCAELP CC[NH+]1CCC(CCNC(=O)[C@@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000359493187 416348162 /nfs/dbraw/zinc/34/81/62/416348162.db2.gz KHIVIOLQCDEDKH-OAHLLOKOSA-N 2 2 310.486 0.861 10 0 DCAELP CCNC(=O)CC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000408164299 417146729 /nfs/dbraw/zinc/14/67/29/417146729.db2.gz HQELVIJLCNZKNU-CYBMUJFWSA-N 2 2 310.442 0.140 10 0 DCAELP CCNC(=O)CC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000408164299 417146739 /nfs/dbraw/zinc/14/67/39/417146739.db2.gz HQELVIJLCNZKNU-CYBMUJFWSA-N 2 2 310.442 0.140 10 0 DCAELP O[C@@]1(C[NH2+]C2COCCOC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634714597 417532992 /nfs/dbraw/zinc/53/29/92/417532992.db2.gz NQXXFVFJKSOAGS-QGZVFWFLSA-N 2 2 306.406 0.628 10 0 DCAELP O[C@@]1(C[NH2+]C2COCCOC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634714597 417532998 /nfs/dbraw/zinc/53/29/98/417532998.db2.gz NQXXFVFJKSOAGS-QGZVFWFLSA-N 2 2 306.406 0.628 10 0 DCAELP CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000662743305 417881877 /nfs/dbraw/zinc/88/18/77/417881877.db2.gz XDLVCZKTPDYCJY-SJORKVTESA-N 2 2 316.449 0.528 10 0 DCAELP CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000662743305 417881882 /nfs/dbraw/zinc/88/18/82/417881882.db2.gz XDLVCZKTPDYCJY-SJORKVTESA-N 2 2 316.449 0.528 10 0 DCAELP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000261851875 274199220 /nfs/dbraw/zinc/19/92/20/274199220.db2.gz VWDAOBNRQLHKGM-GZBFAFLISA-N 2 2 322.453 0.173 10 0 DCAELP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000119896403 279374989 /nfs/dbraw/zinc/37/49/89/279374989.db2.gz ZWLOLUHAPIMQBL-KGLIPLIRSA-N 2 2 306.410 0.532 10 0 DCAELP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000119896403 279374992 /nfs/dbraw/zinc/37/49/92/279374992.db2.gz ZWLOLUHAPIMQBL-KGLIPLIRSA-N 2 2 306.410 0.532 10 0 DCAELP O=C(NCCNc1cc[nH+]cc1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000548328414 288132372 /nfs/dbraw/zinc/13/23/72/288132372.db2.gz HFLMNKSZGZQTNV-ZDUSSCGKSA-N 2 2 300.366 0.426 10 0 DCAELP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000248998079 288316309 /nfs/dbraw/zinc/31/63/09/288316309.db2.gz MPGFUNJHZRVXBK-RYUDHWBXSA-N 2 2 303.410 0.754 10 0 DCAELP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000248998079 288316314 /nfs/dbraw/zinc/31/63/14/288316314.db2.gz MPGFUNJHZRVXBK-RYUDHWBXSA-N 2 2 303.410 0.754 10 0 DCAELP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329693050 289047247 /nfs/dbraw/zinc/04/72/47/289047247.db2.gz GZNUQJNAWIFDBX-IIAWOOMASA-N 2 2 318.421 0.767 10 0 DCAELP COc1cc[nH+]c(CN2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c1OC ZINC000190523141 524828501 /nfs/dbraw/zinc/82/85/01/524828501.db2.gz GWBMOGNUBMGYKB-CHWSQXEVSA-N 2 2 309.410 0.986 10 0 DCAELP COc1cc[nH+]c(CN2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c1OC ZINC000190523141 524828510 /nfs/dbraw/zinc/82/85/10/524828510.db2.gz GWBMOGNUBMGYKB-CHWSQXEVSA-N 2 2 309.410 0.986 10 0 DCAELP NC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000246170983 526963478 /nfs/dbraw/zinc/96/34/78/526963478.db2.gz JCAMAHKOPOEYBG-HUUCEWRRSA-N 2 2 322.453 0.128 10 0 DCAELP NC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000246170983 526963482 /nfs/dbraw/zinc/96/34/82/526963482.db2.gz JCAMAHKOPOEYBG-HUUCEWRRSA-N 2 2 322.453 0.128 10 0 DCAELP O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000238031102 545958753 /nfs/dbraw/zinc/95/87/53/545958753.db2.gz WNCGBJXIGAMVST-IAGOWNOFSA-N 2 2 315.417 0.634 10 0 DCAELP C[NH+](C)[C@H]1CCC[N@H+](CC(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000377280091 282255693 /nfs/dbraw/zinc/25/56/93/282255693.db2.gz YEXXXXOAXCCJHT-KGLIPLIRSA-N 2 2 310.442 0.126 10 0 DCAELP C[NH+](C)[C@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000377280091 282255694 /nfs/dbraw/zinc/25/56/94/282255694.db2.gz YEXXXXOAXCCJHT-KGLIPLIRSA-N 2 2 310.442 0.126 10 0 DCAELP CNc1cc(N2CCC[C@@H]2CNC(=O)C[N@H+](C)C(C)C)nc[nH+]1 ZINC000173416844 198212560 /nfs/dbraw/zinc/21/25/60/198212560.db2.gz JDXIZQWKQLKADR-CYBMUJFWSA-N 2 2 320.441 0.944 10 0 DCAELP CNc1cc(N2CCC[C@@H]2CNC(=O)C[N@@H+](C)C(C)C)nc[nH+]1 ZINC000173416844 198212562 /nfs/dbraw/zinc/21/25/62/198212562.db2.gz JDXIZQWKQLKADR-CYBMUJFWSA-N 2 2 320.441 0.944 10 0 DCAELP CNc1cc(N2CCC[C@@H]2CNC(=O)C[N@H+](C)C(C)C)[nH+]cn1 ZINC000173416844 198212564 /nfs/dbraw/zinc/21/25/64/198212564.db2.gz JDXIZQWKQLKADR-CYBMUJFWSA-N 2 2 320.441 0.944 10 0 DCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCCOC(=O)NC(N)=O ZINC000180532714 199171479 /nfs/dbraw/zinc/17/14/79/199171479.db2.gz CNWKYQNITPUYCD-GFCCVEGCSA-N 2 2 309.370 0.851 10 0 DCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCCOC(=O)NC(N)=O ZINC000180532714 199171481 /nfs/dbraw/zinc/17/14/81/199171481.db2.gz CNWKYQNITPUYCD-GFCCVEGCSA-N 2 2 309.370 0.851 10 0 DCAELP CNC(=O)NC(=O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180659430 199192513 /nfs/dbraw/zinc/19/25/13/199192513.db2.gz SHQRTCDPOGVAAT-NSHDSACASA-N 2 2 301.350 0.979 10 0 DCAELP O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000261985522 296069268 /nfs/dbraw/zinc/06/92/68/296069268.db2.gz SCVHSLASQOYKJH-JJXSEGSLSA-N 2 2 307.438 0.840 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(C(=O)N(C)C)CC2)CC1 ZINC000041106295 183165750 /nfs/dbraw/zinc/16/57/50/183165750.db2.gz HARFYPIZCLKVPU-AWEZNQCLSA-N 2 2 324.469 0.339 10 0 DCAELP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000105102738 194075119 /nfs/dbraw/zinc/07/51/19/194075119.db2.gz YBGYJCNJBLPJRL-GASCZTMLSA-N 2 2 324.469 0.975 10 0 DCAELP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000105102738 194075121 /nfs/dbraw/zinc/07/51/21/194075121.db2.gz YBGYJCNJBLPJRL-GASCZTMLSA-N 2 2 324.469 0.975 10 0 DCAELP CCC[NH+]1CCC(CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000105215487 194084457 /nfs/dbraw/zinc/08/44/57/194084457.db2.gz SVKAPQPXWMTHQS-OAHLLOKOSA-N 2 2 312.458 0.738 10 0 DCAELP CCC[NH+]1CCC(CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000105215487 194084460 /nfs/dbraw/zinc/08/44/60/194084460.db2.gz SVKAPQPXWMTHQS-OAHLLOKOSA-N 2 2 312.458 0.738 10 0 DCAELP C[C@H]([C@H](C)NC(=O)N1CC[NH+](C2CC2)CC1)[NH+]1CCOCC1 ZINC000105298313 194093879 /nfs/dbraw/zinc/09/38/79/194093879.db2.gz RMDDWIUGKCLXMO-UONOGXRCSA-N 2 2 310.442 0.585 10 0 DCAELP Cc1[nH+]cn(CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c1C ZINC000106440613 194214325 /nfs/dbraw/zinc/21/43/25/194214325.db2.gz JYKSIYLBKXESJL-HNNXBMFYSA-N 2 2 308.426 0.973 10 0 DCAELP Cc1[nH+]cn(CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)c1C ZINC000106440613 194214328 /nfs/dbraw/zinc/21/43/28/194214328.db2.gz JYKSIYLBKXESJL-HNNXBMFYSA-N 2 2 308.426 0.973 10 0 DCAELP CCN(CC)C(=O)C[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000163953985 132128658 /nfs/dbraw/zinc/12/86/58/132128658.db2.gz WFLKZEPTJMBXTF-ZIAGYGMSSA-N 2 2 310.442 0.126 10 0 DCAELP NC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000150824557 395973394 /nfs/dbraw/zinc/97/33/94/395973394.db2.gz JCAMAHKOPOEYBG-GJZGRUSLSA-N 2 2 322.453 0.128 10 0 DCAELP NC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000150824557 395973396 /nfs/dbraw/zinc/97/33/96/395973396.db2.gz JCAMAHKOPOEYBG-GJZGRUSLSA-N 2 2 322.453 0.128 10 0 DCAELP C[C@H](CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)[NH+]1CCOCC1 ZINC000247473744 395974363 /nfs/dbraw/zinc/97/43/63/395974363.db2.gz RXIXQGLBOJUZAF-KFWWJZLASA-N 2 2 310.442 0.585 10 0 DCAELP C[C@H](CNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C)[NH+]1CCOCC1 ZINC000247473744 395974365 /nfs/dbraw/zinc/97/43/65/395974365.db2.gz RXIXQGLBOJUZAF-KFWWJZLASA-N 2 2 310.442 0.585 10 0 DCAELP O=S(=O)(CC[NH+]1CCCC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000248664872 395993901 /nfs/dbraw/zinc/99/39/01/395993901.db2.gz KTGLCRTXBZLFTE-CQSZACIVSA-N 2 2 301.456 0.582 10 0 DCAELP O=S(=O)(CC[NH+]1CCCC1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000248664872 395993904 /nfs/dbraw/zinc/99/39/04/395993904.db2.gz KTGLCRTXBZLFTE-CQSZACIVSA-N 2 2 301.456 0.582 10 0 DCAELP C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(C(=O)C[C@H](C)[NH3+])CC1 ZINC000261668873 396054927 /nfs/dbraw/zinc/05/49/27/396054927.db2.gz ALFZKWXWFFOVIV-QWHCGFSZSA-N 2 2 310.442 0.315 10 0 DCAELP COCc1noc(CN2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)n1 ZINC000262148131 396104435 /nfs/dbraw/zinc/10/44/35/396104435.db2.gz ZPNQVDGRRPUTBG-HNNXBMFYSA-N 2 2 309.414 0.333 10 0 DCAELP COc1cc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc2c1OCO2 ZINC000261893996 396076784 /nfs/dbraw/zinc/07/67/84/396076784.db2.gz OCBWJCJDXSXKRC-UHFFFAOYSA-N 2 2 321.377 0.288 10 0 DCAELP COc1cc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cc2c1OCO2 ZINC000261893996 396076785 /nfs/dbraw/zinc/07/67/85/396076785.db2.gz OCBWJCJDXSXKRC-UHFFFAOYSA-N 2 2 321.377 0.288 10 0 DCAELP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263257040 396209173 /nfs/dbraw/zinc/20/91/73/396209173.db2.gz QOTDZKKFBYTHRC-GFCCVEGCSA-N 2 2 319.396 0.800 10 0 DCAELP COC(=O)CNC(=O)CC[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178324586 396193924 /nfs/dbraw/zinc/19/39/24/396193924.db2.gz AJMXOVVBTREFHD-CYBMUJFWSA-N 2 2 308.382 0.335 10 0 DCAELP COC(=O)CNC(=O)CC[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178324586 396193927 /nfs/dbraw/zinc/19/39/27/396193927.db2.gz AJMXOVVBTREFHD-CYBMUJFWSA-N 2 2 308.382 0.335 10 0 DCAELP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263072381 396200560 /nfs/dbraw/zinc/20/05/60/396200560.db2.gz WQVRHLFHMOPDBH-GHMZBOCLSA-N 2 2 319.352 0.079 10 0 DCAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc2c(cc1OC(F)F)OCO2 ZINC000263148007 396203396 /nfs/dbraw/zinc/20/33/96/396203396.db2.gz CWUIXGPWFFVIOH-ZJUUUORDSA-N 2 2 316.304 0.687 10 0 DCAELP O[C@@H](COC[C@@H]1CCCO1)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000603509463 397614533 /nfs/dbraw/zinc/61/45/33/397614533.db2.gz FYYWNNSXHUIIAC-CABCVRRESA-N 2 2 324.425 0.084 10 0 DCAELP O[C@H](COC[C@H]1CCCO1)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000603509466 397614776 /nfs/dbraw/zinc/61/47/76/397614776.db2.gz FYYWNNSXHUIIAC-LSDHHAIUSA-N 2 2 324.425 0.084 10 0 DCAELP Cc1ccc([C@H](CNC(=O)C2C[NH2+]C2)[NH+]2CCOCC2)cc1 ZINC000263331009 292252006 /nfs/dbraw/zinc/25/20/06/292252006.db2.gz UWZNQMNXVIPLGQ-INIZCTEOSA-N 2 2 303.406 0.704 10 0 DCAELP COCCCS(=O)(=O)NCC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000177688475 292371406 /nfs/dbraw/zinc/37/14/06/292371406.db2.gz IGZHCFBXPCSIMP-KGLIPLIRSA-N 2 2 321.487 0.357 10 0 DCAELP COCCCS(=O)(=O)NCC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000177688475 292371408 /nfs/dbraw/zinc/37/14/08/292371408.db2.gz IGZHCFBXPCSIMP-KGLIPLIRSA-N 2 2 321.487 0.357 10 0 DCAELP COCCCS(=O)(=O)NCC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000177688475 292371409 /nfs/dbraw/zinc/37/14/09/292371409.db2.gz IGZHCFBXPCSIMP-KGLIPLIRSA-N 2 2 321.487 0.357 10 0 DCAELP COCCCS(=O)(=O)NCC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000177688475 292371410 /nfs/dbraw/zinc/37/14/10/292371410.db2.gz IGZHCFBXPCSIMP-KGLIPLIRSA-N 2 2 321.487 0.357 10 0 DCAELP C[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H]3CCOC3=O)CC2)CC1 ZINC000109789194 158138977 /nfs/dbraw/zinc/13/89/77/158138977.db2.gz NPVKKDUUKYFWPM-CQSZACIVSA-N 2 2 309.410 0.178 10 0 DCAELP CCOC(=O)CCCNC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123573567 158232174 /nfs/dbraw/zinc/23/21/74/158232174.db2.gz WKUWLKINCHZSPP-ZIAGYGMSSA-N 2 2 313.442 0.860 10 0 DCAELP CCOC(=O)CCCNC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123573567 158232177 /nfs/dbraw/zinc/23/21/77/158232177.db2.gz WKUWLKINCHZSPP-ZIAGYGMSSA-N 2 2 313.442 0.860 10 0 DCAELP CCOC(=O)CCCNC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123573567 158232178 /nfs/dbraw/zinc/23/21/78/158232178.db2.gz WKUWLKINCHZSPP-ZIAGYGMSSA-N 2 2 313.442 0.860 10 0 DCAELP CCOC(=O)CCCNC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123573567 158232180 /nfs/dbraw/zinc/23/21/80/158232180.db2.gz WKUWLKINCHZSPP-ZIAGYGMSSA-N 2 2 313.442 0.860 10 0 DCAELP CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123847267 158234246 /nfs/dbraw/zinc/23/42/46/158234246.db2.gz KCEJDGAVJFMRFN-CYBMUJFWSA-N 2 2 321.425 0.910 10 0 DCAELP CCCNC(=O)NC(=O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123847267 158234247 /nfs/dbraw/zinc/23/42/47/158234247.db2.gz KCEJDGAVJFMRFN-CYBMUJFWSA-N 2 2 321.425 0.910 10 0 DCAELP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCC[NH+]1CCOCC1 ZINC000124842747 158247837 /nfs/dbraw/zinc/24/78/37/158247837.db2.gz VVTYNJMWXADJEN-AWEZNQCLSA-N 2 2 300.447 0.594 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](c3cnn(C)c3)C2)CC1 ZINC000172056593 158390250 /nfs/dbraw/zinc/39/02/50/158390250.db2.gz UGKBMHLCTGQRIN-GJZGRUSLSA-N 2 2 319.453 0.762 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](c3cnn(C)c3)C2)CC1 ZINC000172056593 158390251 /nfs/dbraw/zinc/39/02/51/158390251.db2.gz UGKBMHLCTGQRIN-GJZGRUSLSA-N 2 2 319.453 0.762 10 0 DCAELP Cc1[nH+]ccn1-c1cncc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1 ZINC000329410207 159089521 /nfs/dbraw/zinc/08/95/21/159089521.db2.gz DPOWCBDOSXFFMY-ZDUSSCGKSA-N 2 2 300.366 0.492 10 0 DCAELP Cc1[nH+]ccn1-c1cncc(N2CC[N@H+]3CCOC[C@@H]3C2)n1 ZINC000329410207 159089523 /nfs/dbraw/zinc/08/95/23/159089523.db2.gz DPOWCBDOSXFFMY-ZDUSSCGKSA-N 2 2 300.366 0.492 10 0 DCAELP CO[C@H]1C[NH2+][C@@H](C(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000040634849 415198557 /nfs/dbraw/zinc/19/85/57/415198557.db2.gz GYQJOYATDCGHQE-ZIAGYGMSSA-N 2 2 309.435 0.769 10 0 DCAELP C[C@@H](CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[NH+]1CCOCC1 ZINC000085358941 415506538 /nfs/dbraw/zinc/50/65/38/415506538.db2.gz PUANZSMHOGKGRV-KBPBESRZSA-N 2 2 314.474 0.983 10 0 DCAELP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000333483837 415664177 /nfs/dbraw/zinc/66/41/77/415664177.db2.gz CLHAMIBGQVPQND-GDBMZVCRSA-N 2 2 317.437 0.907 10 0 DCAELP O=C(NCC1([NH+]2CCOCC2)CC1)N1CCC2(CC[NH2+]C2)CC1 ZINC000333794950 415739887 /nfs/dbraw/zinc/73/98/87/415739887.db2.gz NBXAIALUQQMWPA-UHFFFAOYSA-N 2 2 322.453 0.636 10 0 DCAELP C[NH+](C)Cc1ccc(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000132831272 415935283 /nfs/dbraw/zinc/93/52/83/415935283.db2.gz ITUVYOBORQRDDY-MRXNPFEDSA-N 2 2 321.421 0.171 10 0 DCAELP C[C@H]1C[N@@H+](C2CC[NH+](CCCC(=O)NC(N)=O)CC2)CCO1 ZINC000170928334 416036833 /nfs/dbraw/zinc/03/68/33/416036833.db2.gz XLYZFHCUBNUUHJ-LBPRGKRZSA-N 2 2 312.414 0.147 10 0 DCAELP C[C@H]1C[N@H+](C2CC[NH+](CCCC(=O)NC(N)=O)CC2)CCO1 ZINC000170928334 416036836 /nfs/dbraw/zinc/03/68/36/416036836.db2.gz XLYZFHCUBNUUHJ-LBPRGKRZSA-N 2 2 312.414 0.147 10 0 DCAELP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000176495589 416127139 /nfs/dbraw/zinc/12/71/39/416127139.db2.gz NKJMKVHHCNLCDF-QLFBSQMISA-N 2 2 310.442 0.585 10 0 DCAELP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000176495589 416127141 /nfs/dbraw/zinc/12/71/41/416127141.db2.gz NKJMKVHHCNLCDF-QLFBSQMISA-N 2 2 310.442 0.585 10 0 DCAELP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000176495589 416127145 /nfs/dbraw/zinc/12/71/45/416127145.db2.gz NKJMKVHHCNLCDF-QLFBSQMISA-N 2 2 310.442 0.585 10 0 DCAELP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000176495589 416127146 /nfs/dbraw/zinc/12/71/46/416127146.db2.gz NKJMKVHHCNLCDF-QLFBSQMISA-N 2 2 310.442 0.585 10 0 DCAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000180839138 416200545 /nfs/dbraw/zinc/20/05/45/416200545.db2.gz NLGWVWRQJDYNCW-HNNXBMFYSA-N 3 2 319.453 0.449 10 0 DCAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC(=O)N2CCN(C)CC2)C1 ZINC000180839138 416200548 /nfs/dbraw/zinc/20/05/48/416200548.db2.gz NLGWVWRQJDYNCW-HNNXBMFYSA-N 2 2 319.453 0.449 10 0 DCAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC(=O)N2CCN(C)CC2)C1 ZINC000180839138 416200552 /nfs/dbraw/zinc/20/05/52/416200552.db2.gz NLGWVWRQJDYNCW-HNNXBMFYSA-N 2 2 319.453 0.449 10 0 DCAELP CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@H]2C1 ZINC000329251528 416158617 /nfs/dbraw/zinc/15/86/17/416158617.db2.gz BMQHCBJVIOBMTJ-VNQPRFMTSA-N 2 2 318.421 0.767 10 0 DCAELP CC[N@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@H]2C1 ZINC000329251528 416158622 /nfs/dbraw/zinc/15/86/22/416158622.db2.gz BMQHCBJVIOBMTJ-VNQPRFMTSA-N 2 2 318.421 0.767 10 0 DCAELP Cc1cc(N2CC[C@@H]([N@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)C2=O)n(C)n1 ZINC000193598580 416319209 /nfs/dbraw/zinc/31/92/09/416319209.db2.gz CDCAGTSRZWUASQ-HZSPNIEDSA-N 2 2 303.410 0.327 10 0 DCAELP Cc1cc(N2CC[C@@H]([N@@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)C2=O)n(C)n1 ZINC000193598580 416319212 /nfs/dbraw/zinc/31/92/12/416319212.db2.gz CDCAGTSRZWUASQ-HZSPNIEDSA-N 2 2 303.410 0.327 10 0 DCAELP Cc1cc(N2CC[C@@H]([NH+]3C[C@H]4C[N@@H+](C)C[C@H]4C3)C2=O)n(C)n1 ZINC000193598580 416319214 /nfs/dbraw/zinc/31/92/14/416319214.db2.gz CDCAGTSRZWUASQ-HZSPNIEDSA-N 2 2 303.410 0.327 10 0 DCAELP Cc1cc(N2CC[C@@H]([NH+]3C[C@H]4C[N@H+](C)C[C@H]4C3)C2=O)n(C)n1 ZINC000193598580 416319216 /nfs/dbraw/zinc/31/92/16/416319216.db2.gz CDCAGTSRZWUASQ-HZSPNIEDSA-N 2 2 303.410 0.327 10 0 DCAELP CC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000193821098 416320253 /nfs/dbraw/zinc/32/02/53/416320253.db2.gz INWNWFWYZWYBHK-CYBMUJFWSA-N 2 2 310.442 0.092 10 0 DCAELP OC(C[NH+]1CCC[C@H]2COC[C@H]21)C[N@@H+]1CCC[C@H]2COC[C@H]21 ZINC000370223539 416890743 /nfs/dbraw/zinc/89/07/43/416890743.db2.gz CVVPCZBIDXSMNT-XJNFMUPTSA-N 2 2 310.438 0.569 10 0 DCAELP OC(C[NH+]1CCC[C@H]2COC[C@H]21)C[N@H+]1CCC[C@H]2COC[C@H]21 ZINC000370223539 416890750 /nfs/dbraw/zinc/89/07/50/416890750.db2.gz CVVPCZBIDXSMNT-XJNFMUPTSA-N 2 2 310.438 0.569 10 0 DCAELP Nc1cc([C@@H]2C[NH2+]CCN2S(=O)(=O)c2ccccc2)cc[nH+]1 ZINC000616603137 417085286 /nfs/dbraw/zinc/08/52/86/417085286.db2.gz FGSORRBWYUTYCB-AWEZNQCLSA-N 2 2 318.402 0.999 10 0 DCAELP O=S1(=O)CCC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000634955721 417548336 /nfs/dbraw/zinc/54/83/36/417548336.db2.gz OPEMOYFMSSENPO-KBPBESRZSA-N 2 2 304.456 0.390 10 0 DCAELP CCC[C@H](C(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1)[NH+](C)C ZINC000179501625 261112703 /nfs/dbraw/zinc/11/27/03/261112703.db2.gz ONLKUAKLRAGHCC-ZIAGYGMSSA-N 2 2 313.442 0.813 10 0 DCAELP O[C@@H](C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)Cn1ccnn1 ZINC000459691288 272004101 /nfs/dbraw/zinc/00/41/01/272004101.db2.gz GGNJJONEYHCJQI-IRXDYDNUSA-N 2 2 315.421 0.893 10 0 DCAELP O[C@@H](C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)Cn1ccnn1 ZINC000459691288 272004103 /nfs/dbraw/zinc/00/41/03/272004103.db2.gz GGNJJONEYHCJQI-IRXDYDNUSA-N 2 2 315.421 0.893 10 0 DCAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CC(=O)N(C2CC2)[C@H]1c1ccnn1C ZINC000329032630 300226048 /nfs/dbraw/zinc/22/60/48/300226048.db2.gz QCZYZTMNOIVUEF-ZCTGUTNYSA-N 2 2 317.437 0.764 10 0 DCAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CC(=O)N(C2CC2)[C@H]1c1ccnn1C ZINC000329032630 300226053 /nfs/dbraw/zinc/22/60/53/300226053.db2.gz QCZYZTMNOIVUEF-ZCTGUTNYSA-N 2 2 317.437 0.764 10 0 DCAELP C[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC[N@@H+]1CCO ZINC000188802079 534372474 /nfs/dbraw/zinc/37/24/74/534372474.db2.gz VKLXFUFNANBSSW-NVXWUHKLSA-N 2 2 319.449 0.684 10 0 DCAELP C[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC[N@H+]1CCO ZINC000188802079 534372478 /nfs/dbraw/zinc/37/24/78/534372478.db2.gz VKLXFUFNANBSSW-NVXWUHKLSA-N 2 2 319.449 0.684 10 0 DCAELP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000189441404 522033589 /nfs/dbraw/zinc/03/35/89/522033589.db2.gz CEXJLHLEXKDGRF-KRWDZBQOSA-N 2 2 319.449 0.998 10 0 DCAELP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCC[N@H+]1CCCOCC1 ZINC000189441404 522033601 /nfs/dbraw/zinc/03/36/01/522033601.db2.gz CEXJLHLEXKDGRF-KRWDZBQOSA-N 2 2 319.449 0.998 10 0 DCAELP CC[C@@H](C(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1)[NH+](C)C ZINC000328628223 529278312 /nfs/dbraw/zinc/27/83/12/529278312.db2.gz GZTVDDVGRIAQRR-RYUDHWBXSA-N 2 2 300.403 0.021 10 0 DCAELP CC[C@@H](C(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1)[NH+](C)C ZINC000328628223 529278313 /nfs/dbraw/zinc/27/83/13/529278313.db2.gz GZTVDDVGRIAQRR-RYUDHWBXSA-N 2 2 300.403 0.021 10 0 DCAELP C[C@@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)[C@H]1CCCO1 ZINC000175633032 545886791 /nfs/dbraw/zinc/88/67/91/545886791.db2.gz YQBMKDVLRXEEJW-UKRRQHHQSA-N 2 2 312.458 0.879 10 0 DCAELP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000178886408 545897032 /nfs/dbraw/zinc/89/70/32/545897032.db2.gz GOCPXKXQPLVMLN-ZBFHGGJFSA-N 2 2 319.453 0.809 10 0 DCAELP CCn1cc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+](C)CCO)C2)c(C)n1 ZINC000092078383 193153682 /nfs/dbraw/zinc/15/36/82/193153682.db2.gz BCIOLAIQYSPMTC-HZPDHXFCSA-N 2 2 310.442 0.176 10 0 DCAELP CCn1cc(C[N@H+]2C[C@H](CO)[C@H](C[NH+](C)CCO)C2)c(C)n1 ZINC000092078383 193153683 /nfs/dbraw/zinc/15/36/83/193153683.db2.gz BCIOLAIQYSPMTC-HZPDHXFCSA-N 2 2 310.442 0.176 10 0 DCAELP CCn1cc(C[NH+]2C[C@H](CO)[C@H](C[N@H+](C)CCO)C2)c(C)n1 ZINC000092078383 193153684 /nfs/dbraw/zinc/15/36/84/193153684.db2.gz BCIOLAIQYSPMTC-HZPDHXFCSA-N 2 2 310.442 0.176 10 0 DCAELP CCn1cc(C[NH+]2C[C@H](CO)[C@H](C[N@@H+](C)CCO)C2)c(C)n1 ZINC000092078383 193153686 /nfs/dbraw/zinc/15/36/86/193153686.db2.gz BCIOLAIQYSPMTC-HZPDHXFCSA-N 2 2 310.442 0.176 10 0 DCAELP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105130241 194077540 /nfs/dbraw/zinc/07/75/40/194077540.db2.gz VPPVGCPHIJRNAG-LSDHHAIUSA-N 2 2 310.442 0.587 10 0 DCAELP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000105130241 194077541 /nfs/dbraw/zinc/07/75/41/194077541.db2.gz VPPVGCPHIJRNAG-LSDHHAIUSA-N 2 2 310.442 0.587 10 0 DCAELP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000105215151 194084642 /nfs/dbraw/zinc/08/46/42/194084642.db2.gz SOGUVEXYIGPEQE-TZMCWYRMSA-N 2 2 309.414 0.457 10 0 DCAELP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000105215151 194084644 /nfs/dbraw/zinc/08/46/44/194084644.db2.gz SOGUVEXYIGPEQE-TZMCWYRMSA-N 2 2 309.414 0.457 10 0 DCAELP C(C[C@H]1CCOC1)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000346371600 254043074 /nfs/dbraw/zinc/04/30/74/254043074.db2.gz UWYQXZKMLYCVOD-INIZCTEOSA-N 2 2 311.470 0.799 10 0 DCAELP C(C[C@H]1CCOC1)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000346371600 254043077 /nfs/dbraw/zinc/04/30/77/254043077.db2.gz UWYQXZKMLYCVOD-INIZCTEOSA-N 2 2 311.470 0.799 10 0 DCAELP CNC(=O)C(C)(C)[N@@H+]1CCC[C@H]1C(=O)NCCc1c[nH+]c[nH]1 ZINC000096113070 395745161 /nfs/dbraw/zinc/74/51/61/395745161.db2.gz QVYIAKWMBJYYJO-LBPRGKRZSA-N 2 2 307.398 0.057 10 0 DCAELP CNC(=O)C(C)(C)[N@H+]1CCC[C@H]1C(=O)NCCc1c[nH+]c[nH]1 ZINC000096113070 395745163 /nfs/dbraw/zinc/74/51/63/395745163.db2.gz QVYIAKWMBJYYJO-LBPRGKRZSA-N 2 2 307.398 0.057 10 0 DCAELP CNC(=O)C(C)(C)[N@@H+]1CCC[C@H]1C(=O)NCCc1c[nH]c[nH+]1 ZINC000096113070 395745164 /nfs/dbraw/zinc/74/51/64/395745164.db2.gz QVYIAKWMBJYYJO-LBPRGKRZSA-N 2 2 307.398 0.057 10 0 DCAELP CNC(=O)C(C)(C)[N@H+]1CCC[C@H]1C(=O)NCCc1c[nH]c[nH+]1 ZINC000096113070 395745166 /nfs/dbraw/zinc/74/51/66/395745166.db2.gz QVYIAKWMBJYYJO-LBPRGKRZSA-N 2 2 307.398 0.057 10 0 DCAELP CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195515630 395830824 /nfs/dbraw/zinc/83/08/24/395830824.db2.gz HQMCPJWVMWRYQT-LBPRGKRZSA-N 2 2 305.382 0.661 10 0 DCAELP CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195515630 395830827 /nfs/dbraw/zinc/83/08/27/395830827.db2.gz HQMCPJWVMWRYQT-LBPRGKRZSA-N 2 2 305.382 0.661 10 0 DCAELP C[C@H](CNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000115796684 395841722 /nfs/dbraw/zinc/84/17/22/395841722.db2.gz CCEXGGBXRNPCPB-CABCVRRESA-N 2 2 312.458 0.690 10 0 DCAELP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000246372036 395947894 /nfs/dbraw/zinc/94/78/94/395947894.db2.gz QIMAKTPBFBSKMT-OAGGEKHMSA-N 2 2 324.469 0.975 10 0 DCAELP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000246372036 395947895 /nfs/dbraw/zinc/94/78/95/395947895.db2.gz QIMAKTPBFBSKMT-OAGGEKHMSA-N 2 2 324.469 0.975 10 0 DCAELP C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000246554296 395952492 /nfs/dbraw/zinc/95/24/92/395952492.db2.gz YNUZUJYKVIPKPQ-HOTGVXAUSA-N 2 2 324.469 0.977 10 0 DCAELP C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000246554296 395952495 /nfs/dbraw/zinc/95/24/95/395952495.db2.gz YNUZUJYKVIPKPQ-HOTGVXAUSA-N 2 2 324.469 0.977 10 0 DCAELP C[C@H](CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)[NH+]1CCOCC1 ZINC000247473739 395974408 /nfs/dbraw/zinc/97/44/08/395974408.db2.gz RXIXQGLBOJUZAF-ILXRZTDVSA-N 2 2 310.442 0.585 10 0 DCAELP C[C@H](CNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C)[NH+]1CCOCC1 ZINC000247473739 395974411 /nfs/dbraw/zinc/97/44/11/395974411.db2.gz RXIXQGLBOJUZAF-ILXRZTDVSA-N 2 2 310.442 0.585 10 0 DCAELP [NH3+]C1(C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)CCOCC1 ZINC000261814822 396069042 /nfs/dbraw/zinc/06/90/42/396069042.db2.gz JUUMNJAKEVNXPF-UHFFFAOYSA-N 2 2 319.405 0.544 10 0 DCAELP O[C@@H](CN1CCOCC1)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000249918712 396013454 /nfs/dbraw/zinc/01/34/54/396013454.db2.gz YEAYVYVQVDSDFG-CVEARBPZSA-N 2 2 320.437 0.509 10 0 DCAELP O[C@@H](CN1CCOCC1)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000249918712 396013458 /nfs/dbraw/zinc/01/34/58/396013458.db2.gz YEAYVYVQVDSDFG-CVEARBPZSA-N 2 2 320.437 0.509 10 0 DCAELP COC(=O)CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249925808 396013843 /nfs/dbraw/zinc/01/38/43/396013843.db2.gz ZWVVZLMMTWWRFQ-STQMWFEESA-N 2 2 320.393 0.493 10 0 DCAELP COC(=O)CNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249925808 396013845 /nfs/dbraw/zinc/01/38/45/396013845.db2.gz ZWVVZLMMTWWRFQ-STQMWFEESA-N 2 2 320.393 0.493 10 0 DCAELP CCN(CC)C(=O)CN1CCC[N@H+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000262089377 396098183 /nfs/dbraw/zinc/09/81/83/396098183.db2.gz URRWLRNKOCYFFV-QGZVFWFLSA-N 2 2 310.486 0.862 10 0 DCAELP CCN(CC)C(=O)CN1CCC[N@@H+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000262089377 396098185 /nfs/dbraw/zinc/09/81/85/396098185.db2.gz URRWLRNKOCYFFV-QGZVFWFLSA-N 2 2 310.486 0.862 10 0 DCAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262410914 396137304 /nfs/dbraw/zinc/13/73/04/396137304.db2.gz PFABYSDZNRXLPT-JSGCOSHPSA-N 2 2 302.378 0.574 10 0 DCAELP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262569101 396156554 /nfs/dbraw/zinc/15/65/54/396156554.db2.gz XEFDJJCJOIPBOA-NFFDBFGFSA-N 2 2 306.410 0.920 10 0 DCAELP COc1cccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)c1OC(F)F ZINC000263171386 396204337 /nfs/dbraw/zinc/20/43/37/396204337.db2.gz FUKKKDUCXKYZSB-GHMZBOCLSA-N 2 2 302.321 0.967 10 0 DCAELP Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263297847 396212667 /nfs/dbraw/zinc/21/26/67/396212667.db2.gz WQGKCOKTVZRMRG-MWLCHTKSSA-N 2 2 322.331 0.340 10 0 DCAELP C[C@H]([NH3+])CCC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000193303870 396449007 /nfs/dbraw/zinc/44/90/07/396449007.db2.gz VIGOFMFNNDEHTQ-GXTWGEPZSA-N 2 2 301.456 0.438 10 0 DCAELP C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000578422397 397432509 /nfs/dbraw/zinc/43/25/09/397432509.db2.gz TYRWRSPRIPCBMB-RYUDHWBXSA-N 2 2 315.377 0.824 10 0 DCAELP C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000578422397 397432513 /nfs/dbraw/zinc/43/25/13/397432513.db2.gz TYRWRSPRIPCBMB-RYUDHWBXSA-N 2 2 315.377 0.824 10 0 DCAELP CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606583944 397683890 /nfs/dbraw/zinc/68/38/90/397683890.db2.gz UPJBPCIEUBGELI-ZDUSSCGKSA-N 2 2 302.382 0.702 10 0 DCAELP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606583944 397683891 /nfs/dbraw/zinc/68/38/91/397683891.db2.gz UPJBPCIEUBGELI-ZDUSSCGKSA-N 2 2 302.382 0.702 10 0 DCAELP COC(=O)CCNC(=O)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000090003722 158100012 /nfs/dbraw/zinc/10/00/12/158100012.db2.gz JXOOBYOYSQTGRX-ZDUSSCGKSA-N 2 2 322.409 0.354 10 0 DCAELP COC(=O)CCNC(=O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000090003722 158100014 /nfs/dbraw/zinc/10/00/14/158100014.db2.gz JXOOBYOYSQTGRX-ZDUSSCGKSA-N 2 2 322.409 0.354 10 0 DCAELP COC(=O)CNC(=O)[C@@H](C)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105876337 158130929 /nfs/dbraw/zinc/13/09/29/158130929.db2.gz NMIRNJMGPXCGFE-GFCCVEGCSA-N 2 2 322.409 0.352 10 0 DCAELP COC(=O)CCNC(=O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105875903 158131168 /nfs/dbraw/zinc/13/11/68/158131168.db2.gz YLLOUWMQYMMZRD-UHFFFAOYSA-N 2 2 322.409 0.354 10 0 DCAELP CN(C(=O)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1)C1CC1 ZINC000105863580 158131502 /nfs/dbraw/zinc/13/15/02/158131502.db2.gz CMNADNWTHGOGNF-UHFFFAOYSA-N 2 2 319.453 0.900 10 0 DCAELP CC[NH+](CC)CCCNC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000125520485 158255875 /nfs/dbraw/zinc/25/58/75/158255875.db2.gz GGOAINZTPTXWDN-CQSZACIVSA-N 2 2 300.447 0.738 10 0 DCAELP Cc1cccc(N2CCC(NC(=O)[C@H]3COCC[NH2+]3)CC2)[nH+]1 ZINC000169023084 158372502 /nfs/dbraw/zinc/37/25/02/158372502.db2.gz LUHATKSXAYQCHC-CQSZACIVSA-N 2 2 304.394 0.463 10 0 DCAELP O=C(NCc1cn2c([nH+]1)CCCC2)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000408029816 160016700 /nfs/dbraw/zinc/01/67/00/160016700.db2.gz JJQPIIAALUNMDJ-CQSZACIVSA-N 2 2 303.410 0.226 10 0 DCAELP O=C(NCc1cn2c([nH+]1)CCCC2)[C@H]1C[N@H+]2CCN1CCC2 ZINC000408029816 160016702 /nfs/dbraw/zinc/01/67/02/160016702.db2.gz JJQPIIAALUNMDJ-CQSZACIVSA-N 2 2 303.410 0.226 10 0 DCAELP Cc1nc(N2CCN(C(=O)N[C@@H]3CCCC[NH2+]C3)CC2)cc[nH+]1 ZINC000333819046 287147044 /nfs/dbraw/zinc/14/70/44/287147044.db2.gz KONLVLLAIZQJGG-CQSZACIVSA-N 2 2 318.425 0.759 10 0 DCAELP C[N@H+]1CCO[C@H](CNC(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000105282368 415628872 /nfs/dbraw/zinc/62/88/72/415628872.db2.gz ZOVMHNNZRMERLU-OAHLLOKOSA-N 2 2 310.442 0.587 10 0 DCAELP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000333648654 415705592 /nfs/dbraw/zinc/70/55/92/415705592.db2.gz JLUCKYKSOSQYBR-CXAGYDPISA-N 2 2 322.453 0.187 10 0 DCAELP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000333648654 415705599 /nfs/dbraw/zinc/70/55/99/415705599.db2.gz JLUCKYKSOSQYBR-CXAGYDPISA-N 2 2 322.453 0.187 10 0 DCAELP C[C@@H](O)[C@H]1CCN(c2cc(N3CC[NH+](C4CC4)CC3)nc[nH+]2)C1 ZINC000334027152 415787666 /nfs/dbraw/zinc/78/76/66/415787666.db2.gz HXOPNKFHMMBTEC-KGLIPLIRSA-N 2 2 317.437 0.968 10 0 DCAELP C[C@@H](CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)C[NH+]1CCOCC1 ZINC000163439394 416015352 /nfs/dbraw/zinc/01/53/52/416015352.db2.gz IKDBXZOIUCSBEE-JKSUJKDBSA-N 2 2 324.469 0.834 10 0 DCAELP C[C@@H](CNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)C[NH+]1CCOCC1 ZINC000163439394 416015355 /nfs/dbraw/zinc/01/53/55/416015355.db2.gz IKDBXZOIUCSBEE-JKSUJKDBSA-N 2 2 324.469 0.834 10 0 DCAELP CC[N@@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000171164732 416039096 /nfs/dbraw/zinc/03/90/96/416039096.db2.gz AEVWRZGRAZWPBR-AWEZNQCLSA-N 2 2 312.458 0.881 10 0 DCAELP CC[N@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000171164732 416039098 /nfs/dbraw/zinc/03/90/98/416039098.db2.gz AEVWRZGRAZWPBR-AWEZNQCLSA-N 2 2 312.458 0.881 10 0 DCAELP CC[NH+]1CCC[C@H](NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000171164732 416039099 /nfs/dbraw/zinc/03/90/99/416039099.db2.gz AEVWRZGRAZWPBR-AWEZNQCLSA-N 2 2 312.458 0.881 10 0 DCAELP CC[NH+]1CCC[C@H](NC(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000171164732 416039100 /nfs/dbraw/zinc/03/91/00/416039100.db2.gz AEVWRZGRAZWPBR-AWEZNQCLSA-N 2 2 312.458 0.881 10 0 DCAELP CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H]2CCCn3cc[nH+]c32)CC1 ZINC000175152923 416096667 /nfs/dbraw/zinc/09/66/67/416096667.db2.gz PSGTUWOJBSICAA-HUUCEWRRSA-N 2 2 319.453 0.903 10 0 DCAELP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCn2cc[nH+]c21 ZINC000175127657 416096948 /nfs/dbraw/zinc/09/69/48/416096948.db2.gz IDFVRRJONFSJAO-UONOGXRCSA-N 2 2 306.410 0.988 10 0 DCAELP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCn2cc[nH+]c21 ZINC000175127657 416096952 /nfs/dbraw/zinc/09/69/52/416096952.db2.gz IDFVRRJONFSJAO-UONOGXRCSA-N 2 2 306.410 0.988 10 0 DCAELP CC1=CC[NH+](CCNC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000357899101 416148998 /nfs/dbraw/zinc/14/89/98/416148998.db2.gz FHISVAHJQKHJQT-GJZGRUSLSA-N 2 2 308.426 0.363 10 0 DCAELP CC1=CC[NH+](CCNC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000357899101 416149000 /nfs/dbraw/zinc/14/90/00/416149000.db2.gz FHISVAHJQKHJQT-GJZGRUSLSA-N 2 2 308.426 0.363 10 0 DCAELP CC1=CC[N@H+](CCNC(=O)N2C[C@@H]3OCC[NH+](C)[C@H]3C2)CC1 ZINC000357899101 416149002 /nfs/dbraw/zinc/14/90/02/416149002.db2.gz FHISVAHJQKHJQT-GJZGRUSLSA-N 2 2 308.426 0.363 10 0 DCAELP CC1=CC[N@@H+](CCNC(=O)N2C[C@@H]3OCC[NH+](C)[C@H]3C2)CC1 ZINC000357899101 416149004 /nfs/dbraw/zinc/14/90/04/416149004.db2.gz FHISVAHJQKHJQT-GJZGRUSLSA-N 2 2 308.426 0.363 10 0 DCAELP CCc1nnc(C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)n1C ZINC000179251603 416183916 /nfs/dbraw/zinc/18/39/16/416183916.db2.gz ZKUKQGKRTVQQCO-OAHLLOKOSA-N 2 2 320.485 0.979 10 0 DCAELP CCc1nnc(C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)n1C ZINC000179251603 416183917 /nfs/dbraw/zinc/18/39/17/416183917.db2.gz ZKUKQGKRTVQQCO-OAHLLOKOSA-N 2 2 320.485 0.979 10 0 DCAELP C[C@@H](C[NH+]1CCOCC1)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000180478385 416197231 /nfs/dbraw/zinc/19/72/31/416197231.db2.gz RLJGZJLHCQODCO-INIZCTEOSA-N 2 2 321.469 0.649 10 0 DCAELP CCS(=O)(=O)NCC[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178304131 416160483 /nfs/dbraw/zinc/16/04/83/416160483.db2.gz YMGKKKBKBIZTMS-ZDUSSCGKSA-N 2 2 300.428 0.595 10 0 DCAELP CCS(=O)(=O)NCC[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178304131 416160488 /nfs/dbraw/zinc/16/04/88/416160488.db2.gz YMGKKKBKBIZTMS-ZDUSSCGKSA-N 2 2 300.428 0.595 10 0 DCAELP C[N@@H+]1CCN(C[C@H](O)C[NH+]2CCOCC2)C2(CCCCC2)C1 ZINC000178404982 416162355 /nfs/dbraw/zinc/16/23/55/416162355.db2.gz OKTBFAPGRVTAJA-MRXNPFEDSA-N 2 2 311.470 0.630 10 0 DCAELP C[N@H+]1CCN(C[C@H](O)C[NH+]2CCOCC2)C2(CCCCC2)C1 ZINC000178404982 416162359 /nfs/dbraw/zinc/16/23/59/416162359.db2.gz OKTBFAPGRVTAJA-MRXNPFEDSA-N 2 2 311.470 0.630 10 0 DCAELP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000246720893 416332221 /nfs/dbraw/zinc/33/22/21/416332221.db2.gz ADCPNLUPGCLGGC-CABCVRRESA-N 2 2 312.458 0.594 10 0 DCAELP CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000246720893 416332222 /nfs/dbraw/zinc/33/22/22/416332222.db2.gz ADCPNLUPGCLGGC-CABCVRRESA-N 2 2 312.458 0.594 10 0 DCAELP CC(C)C[NH+]1CC[C@H](CNC(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000246720893 416332223 /nfs/dbraw/zinc/33/22/23/416332223.db2.gz ADCPNLUPGCLGGC-CABCVRRESA-N 2 2 312.458 0.594 10 0 DCAELP CC(C)C[NH+]1CC[C@H](CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000246720893 416332224 /nfs/dbraw/zinc/33/22/24/416332224.db2.gz ADCPNLUPGCLGGC-CABCVRRESA-N 2 2 312.458 0.594 10 0 DCAELP CC(C)N(C)c1ccc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cn1 ZINC000261813185 416335943 /nfs/dbraw/zinc/33/59/43/416335943.db2.gz HTSZPURVZKEGBG-UHFFFAOYSA-N 2 2 319.453 0.790 10 0 DCAELP CC(C)N(C)c1ccc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cn1 ZINC000261813185 416335944 /nfs/dbraw/zinc/33/59/44/416335944.db2.gz HTSZPURVZKEGBG-UHFFFAOYSA-N 2 2 319.453 0.790 10 0 DCAELP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)CC1 ZINC000369542331 416794419 /nfs/dbraw/zinc/79/44/19/416794419.db2.gz SGFIANPADCDAPI-MRXNPFEDSA-N 2 2 311.426 0.030 10 0 DCAELP C[NH+]1CCN(C(=O)C[N@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)CC1 ZINC000369542331 416794426 /nfs/dbraw/zinc/79/44/26/416794426.db2.gz SGFIANPADCDAPI-MRXNPFEDSA-N 2 2 311.426 0.030 10 0 DCAELP COC(=O)[C@@](C)(O)C[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000580477849 417705386 /nfs/dbraw/zinc/70/53/86/417705386.db2.gz GHNVEZPAETUUIT-LRDDRELGSA-N 2 2 307.394 0.933 10 0 DCAELP COC(=O)[C@@](C)(O)C[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000580477849 417705389 /nfs/dbraw/zinc/70/53/89/417705389.db2.gz GHNVEZPAETUUIT-LRDDRELGSA-N 2 2 307.394 0.933 10 0 DCAELP C[C@H](CNC(=O)[C@@H]1CCCn2cc[nH+]c21)C[NH+]1CCN(C)CC1 ZINC000176298973 279341520 /nfs/dbraw/zinc/34/15/20/279341520.db2.gz CWKJCDGZIONOBB-HUUCEWRRSA-N 2 2 319.453 0.760 10 0 DCAELP CC(C)[C@H](CNC(=O)N1CC[NH2+]C[C@H]1C)N1CC[NH+](C)CC1 ZINC000333887516 280243503 /nfs/dbraw/zinc/24/35/03/280243503.db2.gz GDWUZYPIPHFXFD-CABCVRRESA-N 2 2 311.474 0.262 10 0 DCAELP CNC(=O)C(C)(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCCC1 ZINC000096113073 290347003 /nfs/dbraw/zinc/34/70/03/290347003.db2.gz GSBNWAQFCASRIY-ZDUSSCGKSA-N 2 2 310.442 0.187 10 0 DCAELP CNC(=O)C(C)(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCCC1 ZINC000096113073 290347006 /nfs/dbraw/zinc/34/70/06/290347006.db2.gz GSBNWAQFCASRIY-ZDUSSCGKSA-N 2 2 310.442 0.187 10 0 DCAELP CC(C)N(CC[NH+](C)C)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000157557699 528894004 /nfs/dbraw/zinc/89/40/04/528894004.db2.gz ICNVACTVVWHZOU-CQSZACIVSA-N 2 2 300.447 0.689 10 0 DCAELP CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000182568052 545905565 /nfs/dbraw/zinc/90/55/65/545905565.db2.gz ZRIFFZFVMWZORQ-SOUVJXGZSA-N 2 2 318.483 0.779 10 0 DCAELP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2Cc2noc(C[NH3+])n2)C[C@H](C)O1 ZINC000262146323 662112283 /nfs/dbraw/zinc/11/22/83/662112283.db2.gz FMVJWXXZAIKICI-XQQFMLRXSA-N 2 2 309.414 0.602 10 0 DCAELP C[C@@H]1C[N@H+](C[C@@H]2CCCN2Cc2noc(C[NH3+])n2)C[C@H](C)O1 ZINC000262146323 662112284 /nfs/dbraw/zinc/11/22/84/662112284.db2.gz FMVJWXXZAIKICI-XQQFMLRXSA-N 2 2 309.414 0.602 10 0 DCAELP C[NH+](C)Cc1ccc(N2CC[NH+](Cn3cnnc3)CC2)nc1 ZINC000182591853 665852388 /nfs/dbraw/zinc/85/23/88/665852388.db2.gz UGMGBSHBXLRIMC-UHFFFAOYSA-N 2 2 301.398 0.514 10 0 DCAELP CCc1cc(N(C)C[C@H](O)CN2CC[NH+](C)CC2)nc(C)[nH+]1 ZINC000302028107 529528257 /nfs/dbraw/zinc/52/82/57/529528257.db2.gz ARAXBXJDHLAJNS-HNNXBMFYSA-N 2 2 307.442 0.392 10 0 DCAELP CCc1cc(N(C)C[C@H](O)C[NH+]2CCN(C)CC2)nc(C)[nH+]1 ZINC000302028107 529528263 /nfs/dbraw/zinc/52/82/63/529528263.db2.gz ARAXBXJDHLAJNS-HNNXBMFYSA-N 2 2 307.442 0.392 10 0 DCAELP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000180534278 199172292 /nfs/dbraw/zinc/17/22/92/199172292.db2.gz METDFIGJBLQDFS-ZDUSSCGKSA-N 2 2 311.426 0.424 10 0 DCAELP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000180534278 199172294 /nfs/dbraw/zinc/17/22/94/199172294.db2.gz METDFIGJBLQDFS-ZDUSSCGKSA-N 2 2 311.426 0.424 10 0 DCAELP C[N@@H+]1CCO[C@H](CNC(=O)NCCCCNc2cccc[nH+]2)C1 ZINC000105279814 194092045 /nfs/dbraw/zinc/09/20/45/194092045.db2.gz DCOIYIJSMCGIJR-CQSZACIVSA-N 2 2 321.425 0.904 10 0 DCAELP C[N@H+]1CCO[C@H](CNC(=O)NCCCCNc2cccc[nH+]2)C1 ZINC000105279814 194092048 /nfs/dbraw/zinc/09/20/48/194092048.db2.gz DCOIYIJSMCGIJR-CQSZACIVSA-N 2 2 321.425 0.904 10 0 DCAELP C[C@@H]1CCC[N@H+](CCNC(=O)CN2CCc3[nH+]cn(C)c3C2)C1 ZINC000065293028 184324070 /nfs/dbraw/zinc/32/40/70/184324070.db2.gz AILNSTWEXRBREH-CQSZACIVSA-N 2 2 319.453 0.626 10 0 DCAELP C[C@@H]1CCC[N@@H+](CCNC(=O)CN2CCc3[nH+]cn(C)c3C2)C1 ZINC000065293028 184324072 /nfs/dbraw/zinc/32/40/72/184324072.db2.gz AILNSTWEXRBREH-CQSZACIVSA-N 2 2 319.453 0.626 10 0 DCAELP Cn1cc(C[N@@H+]2CCO[C@H]3C[NH+](C4CCOCC4)C[C@H]3C2)cn1 ZINC000248162299 257107791 /nfs/dbraw/zinc/10/77/91/257107791.db2.gz YCFVIEOKKZOYRG-WBVHZDCISA-N 2 2 320.437 0.732 10 0 DCAELP Cn1cc(C[N@H+]2CCO[C@H]3C[NH+](C4CCOCC4)C[C@H]3C2)cn1 ZINC000248162299 257107792 /nfs/dbraw/zinc/10/77/92/257107792.db2.gz YCFVIEOKKZOYRG-WBVHZDCISA-N 2 2 320.437 0.732 10 0 DCAELP Cn1cc(C[NH+]2CCO[C@H]3C[N@@H+](C4CCOCC4)C[C@H]3C2)cn1 ZINC000248162299 257107794 /nfs/dbraw/zinc/10/77/94/257107794.db2.gz YCFVIEOKKZOYRG-WBVHZDCISA-N 2 2 320.437 0.732 10 0 DCAELP Cn1cc(C[NH+]2CCO[C@H]3C[N@H+](C4CCOCC4)C[C@H]3C2)cn1 ZINC000248162299 257107796 /nfs/dbraw/zinc/10/77/96/257107796.db2.gz YCFVIEOKKZOYRG-WBVHZDCISA-N 2 2 320.437 0.732 10 0 DCAELP O=C1C[C@@H]2[C@H](CC[N@@H+]2Cc2ccco2)N1CC[NH+]1CCOCC1 ZINC000248071665 257109562 /nfs/dbraw/zinc/10/95/62/257109562.db2.gz YLPTWOOUHRPSQT-JKSUJKDBSA-N 2 2 319.405 0.787 10 0 DCAELP O=C1C[C@@H]2[C@H](CC[N@H+]2Cc2ccco2)N1CC[NH+]1CCOCC1 ZINC000248071665 257109564 /nfs/dbraw/zinc/10/95/64/257109564.db2.gz YLPTWOOUHRPSQT-JKSUJKDBSA-N 2 2 319.405 0.787 10 0 DCAELP NC(=O)[C@@]1(O)CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000284883014 131119819 /nfs/dbraw/zinc/11/98/19/131119819.db2.gz QSUPTZKEPQIVPQ-OAHLLOKOSA-N 2 2 301.350 0.080 10 0 DCAELP C[N@H+]1C[C@@H]2C[NH+](CC(=O)NCCOc3cccc(F)c3)C[C@@H]2C1 ZINC000193640125 395776062 /nfs/dbraw/zinc/77/60/62/395776062.db2.gz GPQAUJSSAJQEMH-OKILXGFUSA-N 2 2 321.396 0.814 10 0 DCAELP C[N@@H+]1C[C@@H]2C[NH+](CC(=O)NCCOc3cccc(F)c3)C[C@@H]2C1 ZINC000193640125 395776064 /nfs/dbraw/zinc/77/60/64/395776064.db2.gz GPQAUJSSAJQEMH-OKILXGFUSA-N 2 2 321.396 0.814 10 0 DCAELP C[NH+]1C[C@@H]2C[N@@H+](CC(=O)NCCOc3cccc(F)c3)C[C@@H]2C1 ZINC000193640125 395776065 /nfs/dbraw/zinc/77/60/65/395776065.db2.gz GPQAUJSSAJQEMH-OKILXGFUSA-N 2 2 321.396 0.814 10 0 DCAELP C[NH+]1C[C@@H]2C[N@H+](CC(=O)NCCOc3cccc(F)c3)C[C@@H]2C1 ZINC000193640125 395776067 /nfs/dbraw/zinc/77/60/67/395776067.db2.gz GPQAUJSSAJQEMH-OKILXGFUSA-N 2 2 321.396 0.814 10 0 DCAELP CNC(=O)[C@@H]1CCCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000104672483 395778977 /nfs/dbraw/zinc/77/89/77/395778977.db2.gz SMVXGDQJTNQQQR-HNNXBMFYSA-N 2 2 322.453 0.330 10 0 DCAELP CNC(=O)[C@@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000104672483 395778979 /nfs/dbraw/zinc/77/89/79/395778979.db2.gz SMVXGDQJTNQQQR-HNNXBMFYSA-N 2 2 322.453 0.330 10 0 DCAELP C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000245416077 395928782 /nfs/dbraw/zinc/92/87/82/395928782.db2.gz DVZWJMPUGIMQFV-GJZGRUSLSA-N 2 2 310.442 0.444 10 0 DCAELP C[N@H+]1CCO[C@@H](CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000245416077 395928783 /nfs/dbraw/zinc/92/87/83/395928783.db2.gz DVZWJMPUGIMQFV-GJZGRUSLSA-N 2 2 310.442 0.444 10 0 DCAELP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000245676753 395934060 /nfs/dbraw/zinc/93/40/60/395934060.db2.gz FYPYEFNDAFBXHU-CABCVRRESA-N 2 2 312.458 0.690 10 0 DCAELP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000245676753 395934064 /nfs/dbraw/zinc/93/40/64/395934064.db2.gz FYPYEFNDAFBXHU-CABCVRRESA-N 2 2 312.458 0.690 10 0 DCAELP CCC[NH+](C)C[C@H]1CCN(C(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000245676753 395934067 /nfs/dbraw/zinc/93/40/67/395934067.db2.gz FYPYEFNDAFBXHU-CABCVRRESA-N 2 2 312.458 0.690 10 0 DCAELP CCC[NH+](C)C[C@H]1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000245676753 395934071 /nfs/dbraw/zinc/93/40/71/395934071.db2.gz FYPYEFNDAFBXHU-CABCVRRESA-N 2 2 312.458 0.690 10 0 DCAELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000246574705 395953417 /nfs/dbraw/zinc/95/34/17/395953417.db2.gz ZOGYMGBXCVNDRM-KFWWJZLASA-N 2 2 310.442 0.585 10 0 DCAELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000246574705 395953418 /nfs/dbraw/zinc/95/34/18/395953418.db2.gz ZOGYMGBXCVNDRM-KFWWJZLASA-N 2 2 310.442 0.585 10 0 DCAELP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000246574705 395953420 /nfs/dbraw/zinc/95/34/20/395953420.db2.gz ZOGYMGBXCVNDRM-KFWWJZLASA-N 2 2 310.442 0.585 10 0 DCAELP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000246574705 395953422 /nfs/dbraw/zinc/95/34/22/395953422.db2.gz ZOGYMGBXCVNDRM-KFWWJZLASA-N 2 2 310.442 0.585 10 0 DCAELP CC1(C)C[N@H+](CCNC(=O)N2CC[NH+]3CCC[C@H]3C2)CCO1 ZINC000247558170 395976645 /nfs/dbraw/zinc/97/66/45/395976645.db2.gz RFSSUHDGVKYBEZ-AWEZNQCLSA-N 2 2 310.442 0.587 10 0 DCAELP CC1(C)C[N@@H+](CCNC(=O)N2CC[NH+]3CCC[C@H]3C2)CCO1 ZINC000247558170 395976647 /nfs/dbraw/zinc/97/66/47/395976647.db2.gz RFSSUHDGVKYBEZ-AWEZNQCLSA-N 2 2 310.442 0.587 10 0 DCAELP CC1(C)C[NH+](CCNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CCO1 ZINC000247558170 395976648 /nfs/dbraw/zinc/97/66/48/395976648.db2.gz RFSSUHDGVKYBEZ-AWEZNQCLSA-N 2 2 310.442 0.587 10 0 DCAELP CC1(C)C[NH+](CCNC(=O)N2CC[N@H+]3CCC[C@H]3C2)CCO1 ZINC000247558170 395976649 /nfs/dbraw/zinc/97/66/49/395976649.db2.gz RFSSUHDGVKYBEZ-AWEZNQCLSA-N 2 2 310.442 0.587 10 0 DCAELP C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000262359292 396130236 /nfs/dbraw/zinc/13/02/36/396130236.db2.gz VBINGBORVCLVLB-XUJVJEKNSA-N 2 2 320.437 0.989 10 0 DCAELP COc1cc[nH+]cc1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000177685193 396181296 /nfs/dbraw/zinc/18/12/96/396181296.db2.gz VLECOZKNPYDBCW-LLVKDONJSA-N 2 2 304.350 0.335 10 0 DCAELP COc1cc[nH+]cc1NC(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000177685193 396181297 /nfs/dbraw/zinc/18/12/97/396181297.db2.gz VLECOZKNPYDBCW-LLVKDONJSA-N 2 2 304.350 0.335 10 0 DCAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2nnnn2C)nc[nH+]1 ZINC000189849230 396400141 /nfs/dbraw/zinc/40/01/41/396400141.db2.gz WFCYIVUGBOTVFT-WDEREUQCSA-N 2 2 317.401 0.361 10 0 DCAELP C[C@@H]1[C@H]([NH+](C)CCO)CCN1c1ncnc2c1C[N@H+](C)CC2 ZINC000291624023 396503075 /nfs/dbraw/zinc/50/30/75/396503075.db2.gz AXYCNFWMBKKLMN-IUODEOHRSA-N 2 2 305.426 0.356 10 0 DCAELP C[C@@H]1[C@H]([NH+](C)CCO)CCN1c1ncnc2c1C[N@@H+](C)CC2 ZINC000291624023 396503078 /nfs/dbraw/zinc/50/30/78/396503078.db2.gz AXYCNFWMBKKLMN-IUODEOHRSA-N 2 2 305.426 0.356 10 0 DCAELP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1c1ncnc2c1C[NH+](C)CC2 ZINC000291624023 396503080 /nfs/dbraw/zinc/50/30/80/396503080.db2.gz AXYCNFWMBKKLMN-IUODEOHRSA-N 2 2 305.426 0.356 10 0 DCAELP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1c1ncnc2c1C[NH+](C)CC2 ZINC000291624023 396503084 /nfs/dbraw/zinc/50/30/84/396503084.db2.gz AXYCNFWMBKKLMN-IUODEOHRSA-N 2 2 305.426 0.356 10 0 DCAELP C[C@@H]([NH3+])CCC(=O)N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000193293157 396448013 /nfs/dbraw/zinc/44/80/13/396448013.db2.gz WJYCZYBNYFMLKR-CQSZACIVSA-N 2 2 310.442 0.271 10 0 DCAELP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000578406954 397432144 /nfs/dbraw/zinc/43/21/44/397432144.db2.gz ZCCIPLXXKACHSD-UHFFFAOYSA-N 2 2 315.377 0.825 10 0 DCAELP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000578406954 397432147 /nfs/dbraw/zinc/43/21/47/397432147.db2.gz ZCCIPLXXKACHSD-UHFFFAOYSA-N 2 2 315.377 0.825 10 0 DCAELP C[C@@H]1C[C@H]([NH2+]C[C@H](O)Cn2ccnn2)C[N@@H+]1Cc1ccccc1 ZINC000459706525 397436033 /nfs/dbraw/zinc/43/60/33/397436033.db2.gz VYNRBMIOUSQKJH-PVAVHDDUSA-N 2 2 315.421 0.892 10 0 DCAELP C[C@@H]1C[C@H]([NH2+]C[C@H](O)Cn2ccnn2)C[N@H+]1Cc1ccccc1 ZINC000459706525 397436035 /nfs/dbraw/zinc/43/60/35/397436035.db2.gz VYNRBMIOUSQKJH-PVAVHDDUSA-N 2 2 315.421 0.892 10 0 DCAELP C[C@@H]1CCOCC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000368130615 397414317 /nfs/dbraw/zinc/41/43/17/397414317.db2.gz DLOJRKWSKTZKCB-CQSZACIVSA-N 2 2 305.426 0.839 10 0 DCAELP C[C@@H]1CCOCC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000368130615 397414319 /nfs/dbraw/zinc/41/43/19/397414319.db2.gz DLOJRKWSKTZKCB-CQSZACIVSA-N 2 2 305.426 0.839 10 0 DCAELP Cc1n[nH]cc1C[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000121072885 158206654 /nfs/dbraw/zinc/20/66/54/158206654.db2.gz UIAXARYQCGTXBP-QGZVFWFLSA-N 2 2 321.469 0.945 10 0 DCAELP C[N@@H+]1CCO[C@@H](CNC(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000170921885 158378655 /nfs/dbraw/zinc/37/86/55/158378655.db2.gz KLYBXRZPMCUDIL-HNNXBMFYSA-N 2 2 310.442 0.491 10 0 DCAELP C[N@H+]1CCO[C@@H](CNC(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000170921885 158378660 /nfs/dbraw/zinc/37/86/60/158378660.db2.gz KLYBXRZPMCUDIL-HNNXBMFYSA-N 2 2 310.442 0.491 10 0 DCAELP CC(C)(CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)[NH+]1CCOCC1 ZINC000171897679 158387516 /nfs/dbraw/zinc/38/75/16/158387516.db2.gz ONTAMABCQBDUON-AWEZNQCLSA-N 2 2 310.442 0.587 10 0 DCAELP CC(C)(CNC(=O)N1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCOCC1 ZINC000171897679 158387518 /nfs/dbraw/zinc/38/75/18/158387518.db2.gz ONTAMABCQBDUON-AWEZNQCLSA-N 2 2 310.442 0.587 10 0 DCAELP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000328723009 159023934 /nfs/dbraw/zinc/02/39/34/159023934.db2.gz SFCWNHPBZIIHCF-HOCLYGCPSA-N 2 2 318.421 0.523 10 0 DCAELP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCC([NH+](C)C)CC1 ZINC000408113954 160038975 /nfs/dbraw/zinc/03/89/75/160038975.db2.gz ZLUCBIZMQSYVHD-CHWSQXEVSA-N 2 2 310.442 0.125 10 0 DCAELP CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000079311855 286924262 /nfs/dbraw/zinc/92/42/62/286924262.db2.gz AEYQZDLLRFTATL-LSDHHAIUSA-N 2 2 314.474 0.983 10 0 DCAELP Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)[C@H]3CCC[NH2+]3)C2=O)n(C)n1 ZINC000333318632 415611172 /nfs/dbraw/zinc/61/11/72/415611172.db2.gz UBFWFYNVKCIYRA-MJBXVCDLSA-N 2 2 305.426 0.954 10 0 DCAELP CN(C)c1[nH+]cccc1CNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000104783081 415625331 /nfs/dbraw/zinc/62/53/31/415625331.db2.gz BLZYLCQQERNZIG-ZDUSSCGKSA-N 2 2 307.398 0.277 10 0 DCAELP CN(C)c1[nH+]cccc1CNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000104783081 415625341 /nfs/dbraw/zinc/62/53/41/415625341.db2.gz BLZYLCQQERNZIG-ZDUSSCGKSA-N 2 2 307.398 0.277 10 0 DCAELP Cc1nc2[nH]ccc2c(N2CCC[C@H](N3CC[NH2+]CC3=O)C2)[nH+]1 ZINC000333916218 415766384 /nfs/dbraw/zinc/76/63/84/415766384.db2.gz NECYCOMAVAYFIM-LBPRGKRZSA-N 2 2 314.393 0.667 10 0 DCAELP Cc1[nH+]ccn1CC(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000333959613 415772027 /nfs/dbraw/zinc/77/20/27/415772027.db2.gz KFRKKIUKQRDGFM-HNNXBMFYSA-N 2 2 306.410 0.761 10 0 DCAELP Cc1[nH+]ccn1CC(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000333959613 415772028 /nfs/dbraw/zinc/77/20/28/415772028.db2.gz KFRKKIUKQRDGFM-HNNXBMFYSA-N 2 2 306.410 0.761 10 0 DCAELP C[C@@H]1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)C[C@H]1n1cc[nH+]c1 ZINC000153283966 415978421 /nfs/dbraw/zinc/97/84/21/415978421.db2.gz LRBQRXNNDDUQCB-RBSFLKMASA-N 2 2 321.425 0.806 10 0 DCAELP C[C@@H]1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C[C@H]1n1cc[nH+]c1 ZINC000153283966 415978427 /nfs/dbraw/zinc/97/84/27/415978427.db2.gz LRBQRXNNDDUQCB-RBSFLKMASA-N 2 2 321.425 0.806 10 0 DCAELP CC(=O)N1CC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC000357309836 416059896 /nfs/dbraw/zinc/05/98/96/416059896.db2.gz QUZVXXMHELGYJV-AWEZNQCLSA-N 2 2 324.469 0.528 10 0 DCAELP CC(=O)N1CC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC000357309836 416059899 /nfs/dbraw/zinc/05/98/99/416059899.db2.gz QUZVXXMHELGYJV-AWEZNQCLSA-N 2 2 324.469 0.528 10 0 DCAELP C[C@@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000170804601 416032009 /nfs/dbraw/zinc/03/20/09/416032009.db2.gz DGXFRZOZPCLKSU-HOTGVXAUSA-N 2 2 324.469 0.977 10 0 DCAELP C1=CC[NH+]([C@H]2CCN(c3nc(N[C@@H]4CCCOC4)cc[nH+]3)C2)C1 ZINC000328656177 416125198 /nfs/dbraw/zinc/12/51/98/416125198.db2.gz ZBSVWGHJTPTUFM-CABCVRRESA-N 2 2 315.421 1.518 10 0 DCAELP O=C([C@@H]1CCCn2cc[nH+]c21)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000176448694 416125703 /nfs/dbraw/zinc/12/57/03/416125703.db2.gz HQZYMAZXRNKSHH-HUUCEWRRSA-N 2 2 318.421 0.941 10 0 DCAELP C[C@@H](CCNC(=O)NC[C@@H]1C[N@H+](C)CCO1)[NH+]1CCCCC1 ZINC000181713384 416211898 /nfs/dbraw/zinc/21/18/98/416211898.db2.gz YEVKJUBBRTXNQT-LSDHHAIUSA-N 2 2 312.458 0.881 10 0 DCAELP C[C@@H](CCNC(=O)NC[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCCCC1 ZINC000181713384 416211902 /nfs/dbraw/zinc/21/19/02/416211902.db2.gz YEVKJUBBRTXNQT-LSDHHAIUSA-N 2 2 312.458 0.881 10 0 DCAELP O=C([C@@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1)N1CCOCC1 ZINC000182620115 416227536 /nfs/dbraw/zinc/22/75/36/416227536.db2.gz CLNNXSFNBQHEEC-OAHLLOKOSA-N 2 2 306.410 0.844 10 0 DCAELP O=C([C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1)N1CCOCC1 ZINC000182620115 416227540 /nfs/dbraw/zinc/22/75/40/416227540.db2.gz CLNNXSFNBQHEEC-OAHLLOKOSA-N 2 2 306.410 0.844 10 0 DCAELP C[C@@H](CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)C[NH+]1CCOCC1 ZINC000247323349 416332773 /nfs/dbraw/zinc/33/27/73/416332773.db2.gz IKDBXZOIUCSBEE-HOTGVXAUSA-N 2 2 324.469 0.834 10 0 DCAELP C[C@@H](CNC(=O)N1CC[N@H+]2CCCC[C@H]2C1)C[NH+]1CCOCC1 ZINC000247323349 416332774 /nfs/dbraw/zinc/33/27/74/416332774.db2.gz IKDBXZOIUCSBEE-HOTGVXAUSA-N 2 2 324.469 0.834 10 0 DCAELP C[NH+](C)C[C@@H](NC(=O)NC[C@@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000246387318 416331922 /nfs/dbraw/zinc/33/19/22/416331922.db2.gz IFDVRKGELDKLMQ-HZPDHXFCSA-N 2 2 320.437 0.919 10 0 DCAELP C[NH+](C)C[C@@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000246387318 416331923 /nfs/dbraw/zinc/33/19/23/416331923.db2.gz IFDVRKGELDKLMQ-HZPDHXFCSA-N 2 2 320.437 0.919 10 0 DCAELP COC(=O)CCC[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000360962413 416417125 /nfs/dbraw/zinc/41/71/25/416417125.db2.gz ZCIFQRYLVVEEEB-UHFFFAOYSA-N 2 2 307.398 0.618 10 0 DCAELP Cn1cc[nH+]c1N1CC[NH+](C[C@@H](O)COC[C@@H]2CCCO2)CC1 ZINC000534109911 416492931 /nfs/dbraw/zinc/49/29/31/416492931.db2.gz IWJOKBYBAJUNGD-CABCVRRESA-N 2 2 324.425 0.099 10 0 DCAELP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@@H]1C ZINC000365978207 416612828 /nfs/dbraw/zinc/61/28/28/416612828.db2.gz LGVOJWHTCYPLSB-AVGNSLFASA-N 2 2 306.410 0.743 10 0 DCAELP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@@H]1C ZINC000365978207 416612831 /nfs/dbraw/zinc/61/28/31/416612831.db2.gz LGVOJWHTCYPLSB-AVGNSLFASA-N 2 2 306.410 0.743 10 0 DCAELP C[N@H+](CCCO)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000440959118 416656473 /nfs/dbraw/zinc/65/64/73/416656473.db2.gz RGOKQIKAJHGENJ-UHFFFAOYSA-N 2 2 311.451 0.707 10 0 DCAELP C[N@@H+](CCCO)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000440959118 416656476 /nfs/dbraw/zinc/65/64/76/416656476.db2.gz RGOKQIKAJHGENJ-UHFFFAOYSA-N 2 2 311.451 0.707 10 0 DCAELP c1[nH+]cn2cc(CNc3cc[nH+]c(N4CCOCC4)n3)ccc12 ZINC000556843678 416717980 /nfs/dbraw/zinc/71/79/80/416717980.db2.gz XKWIZARZBBUGIF-UHFFFAOYSA-N 2 2 310.361 1.573 10 0 DCAELP CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)C[C@H]1C[NH+](C)CCO1 ZINC000632417748 417074301 /nfs/dbraw/zinc/07/43/01/417074301.db2.gz MKFHGSXJALFMLD-UONOGXRCSA-N 2 2 319.471 0.063 10 0 DCAELP CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)C[C@H]1C[NH+](C)CCO1 ZINC000632417748 417074304 /nfs/dbraw/zinc/07/43/04/417074304.db2.gz MKFHGSXJALFMLD-UONOGXRCSA-N 2 2 319.471 0.063 10 0 DCAELP CC[C@H]1C[NH+](CC)CCN1S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632417748 417074311 /nfs/dbraw/zinc/07/43/11/417074311.db2.gz MKFHGSXJALFMLD-UONOGXRCSA-N 2 2 319.471 0.063 10 0 DCAELP CC[C@H]1C[NH+](CC)CCN1S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632417748 417074315 /nfs/dbraw/zinc/07/43/15/417074315.db2.gz MKFHGSXJALFMLD-UONOGXRCSA-N 2 2 319.471 0.063 10 0 DCAELP O=C([C@@H]1OCC[C@@H]1Cn1cc[nH+]c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000621837362 417315403 /nfs/dbraw/zinc/31/54/03/417315403.db2.gz GBQIUGJLVKIZIE-BZUAXINKSA-N 2 2 318.421 0.985 10 0 DCAELP C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000575344466 417529994 /nfs/dbraw/zinc/52/99/94/417529994.db2.gz GEWKBGYVQQTKOJ-LLVKDONJSA-N 2 2 301.350 0.341 10 0 DCAELP C[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000575344466 417530002 /nfs/dbraw/zinc/53/00/02/417530002.db2.gz GEWKBGYVQQTKOJ-LLVKDONJSA-N 2 2 301.350 0.341 10 0 DCAELP CC[NH+]1CCC(CCNC(=O)[C@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000359493183 261750038 /nfs/dbraw/zinc/75/00/38/261750038.db2.gz KHIVIOLQCDEDKH-HNNXBMFYSA-N 2 2 310.486 0.861 10 0 DCAELP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C[C@@H]1CC ZINC000174919332 276319513 /nfs/dbraw/zinc/31/95/13/276319513.db2.gz NAQCUYIQFVVFDE-GJZGRUSLSA-N 2 2 313.442 0.276 10 0 DCAELP CCOCC[N@H+]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C[C@@H]1CC ZINC000174919332 276319514 /nfs/dbraw/zinc/31/95/14/276319514.db2.gz NAQCUYIQFVVFDE-GJZGRUSLSA-N 2 2 313.442 0.276 10 0 DCAELP CCOCC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@@H]1CC ZINC000174919332 276319515 /nfs/dbraw/zinc/31/95/15/276319515.db2.gz NAQCUYIQFVVFDE-GJZGRUSLSA-N 2 2 313.442 0.276 10 0 DCAELP CCOCC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1CC ZINC000174919332 276319518 /nfs/dbraw/zinc/31/95/18/276319518.db2.gz NAQCUYIQFVVFDE-GJZGRUSLSA-N 2 2 313.442 0.276 10 0 DCAELP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H](C)[NH+]2CCOCC2)C1 ZINC000175008349 279149743 /nfs/dbraw/zinc/14/97/43/279149743.db2.gz AQOOXGABKRXORB-LSDHHAIUSA-N 2 2 312.458 0.833 10 0 DCAELP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000247258429 279309922 /nfs/dbraw/zinc/30/99/22/279309922.db2.gz ZSBZUYCXIIBFFI-HUUCEWRRSA-N 2 2 310.442 0.587 10 0 DCAELP CC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000247258429 279309924 /nfs/dbraw/zinc/30/99/24/279309924.db2.gz ZSBZUYCXIIBFFI-HUUCEWRRSA-N 2 2 310.442 0.587 10 0 DCAELP Cn1cc[nH+]c1[C@@H]1CN(C(=O)N[C@@H]2CCCC[NH2+]C2)CCN1C ZINC000333882245 302995403 /nfs/dbraw/zinc/99/54/03/302995403.db2.gz WKTBTPHRKDKTEG-KGLIPLIRSA-N 2 2 320.441 0.560 10 0 DCAELP C[C@H](CNC(=O)N1CC[NH+](C2CC2)CC1)C[NH+]1CCOCC1 ZINC000163552446 524401841 /nfs/dbraw/zinc/40/18/41/524401841.db2.gz PXSURWVSXSTYEI-CQSZACIVSA-N 2 2 310.442 0.444 10 0 DCAELP C[C@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)[C@@H]1CCCO1 ZINC000183122968 545907594 /nfs/dbraw/zinc/90/75/94/545907594.db2.gz JHJMXXFDFBLWNS-KBPBESRZSA-N 2 2 313.442 0.371 10 0 DCAELP C[C@]1(F)C[NH2+]CCN(C(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000333730794 546089702 /nfs/dbraw/zinc/08/97/02/546089702.db2.gz HTHBQGJZXSCACR-AWEZNQCLSA-N 2 2 314.405 0.194 10 0 DCAELP CC(C)(C)OC(=O)N1CC[NH2+][C@@H](c2cnnn2C2C[NH2+]C2)C1 ZINC000685952019 548748921 /nfs/dbraw/zinc/74/89/21/548748921.db2.gz PDDWHOXTBKKDHL-LLVKDONJSA-N 2 2 308.386 0.304 10 0 DCAELP C[N@H+](CCn1cnnn1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000712612806 670149405 /nfs/dbraw/zinc/14/94/05/670149405.db2.gz JBNSAZZEASMMAF-MRXNPFEDSA-N 2 2 316.409 0.242 10 0 DCAELP C[N@@H+](CCn1cnnn1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000712612806 670149408 /nfs/dbraw/zinc/14/94/08/670149408.db2.gz JBNSAZZEASMMAF-MRXNPFEDSA-N 2 2 316.409 0.242 10 0 DCAELP C[NH+](CCn1cnnn1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000712612806 670149411 /nfs/dbraw/zinc/14/94/11/670149411.db2.gz JBNSAZZEASMMAF-MRXNPFEDSA-N 2 2 316.409 0.242 10 0 DCAELP C[NH+](CCn1cnnn1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000712612806 670149414 /nfs/dbraw/zinc/14/94/14/670149414.db2.gz JBNSAZZEASMMAF-MRXNPFEDSA-N 2 2 316.409 0.242 10 0 DCAELP C[NH+](C)CCN(Cc1ccco1)C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000188945561 282097180 /nfs/dbraw/zinc/09/71/80/282097180.db2.gz MXBLHCCYFDVKGF-UHFFFAOYSA-N 2 2 317.393 0.852 10 0 DCAELP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[C@H]3OCC[N@@H+](C)[C@H]3C1)C2 ZINC000329748300 282179200 /nfs/dbraw/zinc/17/92/00/282179200.db2.gz ZXCWJGIHPSYZMJ-CWRNSKLLSA-N 2 2 318.421 0.685 10 0 DCAELP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[C@H]3OCC[N@H+](C)[C@H]3C1)C2 ZINC000329748300 282179202 /nfs/dbraw/zinc/17/92/02/282179202.db2.gz ZXCWJGIHPSYZMJ-CWRNSKLLSA-N 2 2 318.421 0.685 10 0 DCAELP c1cn(CCCNc2nc(N[C@@H]3CCCOC3)cc[nH+]2)c[nH+]1 ZINC000328653553 231288399 /nfs/dbraw/zinc/28/83/99/231288399.db2.gz WXRNWDOWEQTHAL-CYBMUJFWSA-N 2 2 302.382 0.610 10 0 DCAELP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000174658818 198366969 /nfs/dbraw/zinc/36/69/69/198366969.db2.gz LFGOEGOWHVJFFX-KGLIPLIRSA-N 2 2 306.410 0.940 10 0 DCAELP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000174658818 198366971 /nfs/dbraw/zinc/36/69/71/198366971.db2.gz LFGOEGOWHVJFFX-KGLIPLIRSA-N 2 2 306.410 0.940 10 0 DCAELP CN(C)c1[nH+]cccc1CNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188721016 200294847 /nfs/dbraw/zinc/29/48/47/200294847.db2.gz NJVBAYFFMCPLRD-UHFFFAOYSA-N 2 2 300.366 0.446 10 0 DCAELP O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000238031451 284592647 /nfs/dbraw/zinc/59/26/47/284592647.db2.gz WNCGBJXIGAMVST-DLBZAZTESA-N 2 2 315.417 0.634 10 0 DCAELP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000119896755 132136874 /nfs/dbraw/zinc/13/68/74/132136874.db2.gz ZWLOLUHAPIMQBL-ZIAGYGMSSA-N 2 2 306.410 0.532 10 0 DCAELP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000119896755 132136875 /nfs/dbraw/zinc/13/68/75/132136875.db2.gz ZWLOLUHAPIMQBL-ZIAGYGMSSA-N 2 2 306.410 0.532 10 0 DCAELP Cn1cc(C[N@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)cn1 ZINC000042474887 395745504 /nfs/dbraw/zinc/74/55/04/395745504.db2.gz MIWRWNGTBMGCLG-UHFFFAOYSA-N 2 2 305.426 0.595 10 0 DCAELP Cn1cc(C[N@@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)cn1 ZINC000042474887 395745505 /nfs/dbraw/zinc/74/55/05/395745505.db2.gz MIWRWNGTBMGCLG-UHFFFAOYSA-N 2 2 305.426 0.595 10 0 DCAELP C[N@H+]1C[C@@H]2C[NH+](CC(=O)N3CCO[C@H]4CCCC[C@@H]43)C[C@@H]2C1 ZINC000193616898 395774755 /nfs/dbraw/zinc/77/47/55/395774755.db2.gz JQDYYHFUBXLQNJ-FZKCQIBNSA-N 2 2 307.438 0.650 10 0 DCAELP C[N@@H+]1C[C@@H]2C[NH+](CC(=O)N3CCO[C@H]4CCCC[C@@H]43)C[C@@H]2C1 ZINC000193616898 395774758 /nfs/dbraw/zinc/77/47/58/395774758.db2.gz JQDYYHFUBXLQNJ-FZKCQIBNSA-N 2 2 307.438 0.650 10 0 DCAELP C[NH+]1C[C@@H]2C[N@@H+](CC(=O)N3CCO[C@H]4CCCC[C@@H]43)C[C@@H]2C1 ZINC000193616898 395774761 /nfs/dbraw/zinc/77/47/61/395774761.db2.gz JQDYYHFUBXLQNJ-FZKCQIBNSA-N 2 2 307.438 0.650 10 0 DCAELP C[NH+]1C[C@@H]2C[N@H+](CC(=O)N3CCO[C@H]4CCCC[C@@H]43)C[C@@H]2C1 ZINC000193616898 395774765 /nfs/dbraw/zinc/77/47/65/395774765.db2.gz JQDYYHFUBXLQNJ-FZKCQIBNSA-N 2 2 307.438 0.650 10 0 DCAELP C[NH2+]C[C@@H](C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000237187625 395906072 /nfs/dbraw/zinc/90/60/72/395906072.db2.gz BGEKTDVZYZURRA-OAHLLOKOSA-N 3 2 310.486 0.908 10 0 DCAELP C[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)[NH+]1CCOCC1 ZINC000247301232 395971475 /nfs/dbraw/zinc/97/14/75/395971475.db2.gz UTFWBQKLLXNPSI-OWCLPIDISA-N 2 2 324.469 0.833 10 0 DCAELP C[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)[NH+]1CCOCC1 ZINC000247301232 395971476 /nfs/dbraw/zinc/97/14/76/395971476.db2.gz UTFWBQKLLXNPSI-OWCLPIDISA-N 2 2 324.469 0.833 10 0 DCAELP C[NH+]1CCC[C@@H]2CN(C(=O)NC[C@@H]3C[N@H+](C)CCO3)CC[C@@H]21 ZINC000247348713 395972183 /nfs/dbraw/zinc/97/21/83/395972183.db2.gz XZXFQROYAMGKIS-KFWWJZLASA-N 2 2 310.442 0.443 10 0 DCAELP C[NH+]1CCC[C@@H]2CN(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)CC[C@@H]21 ZINC000247348713 395972184 /nfs/dbraw/zinc/97/21/84/395972184.db2.gz XZXFQROYAMGKIS-KFWWJZLASA-N 2 2 310.442 0.443 10 0 DCAELP C[NH+]1CCO[C@H](CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000247348713 395972185 /nfs/dbraw/zinc/97/21/85/395972185.db2.gz XZXFQROYAMGKIS-KFWWJZLASA-N 2 2 310.442 0.443 10 0 DCAELP C[NH+]1CCO[C@H](CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000247348713 395972188 /nfs/dbraw/zinc/97/21/88/395972188.db2.gz XZXFQROYAMGKIS-KFWWJZLASA-N 2 2 310.442 0.443 10 0 DCAELP COCCCNC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151108914 395979460 /nfs/dbraw/zinc/97/94/60/395979460.db2.gz JCDSIVVUTMNPSQ-CQSZACIVSA-N 2 2 306.410 0.968 10 0 DCAELP COCCCNC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151108914 395979463 /nfs/dbraw/zinc/97/94/63/395979463.db2.gz JCDSIVVUTMNPSQ-CQSZACIVSA-N 2 2 306.410 0.968 10 0 DCAELP C[C@@H]1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)C[C@@H]1n1cc[nH+]c1 ZINC000153283775 396023056 /nfs/dbraw/zinc/02/30/56/396023056.db2.gz LRBQRXNNDDUQCB-KFWWJZLASA-N 2 2 321.425 0.806 10 0 DCAELP C[C@@H]1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1n1cc[nH+]c1 ZINC000153283775 396023059 /nfs/dbraw/zinc/02/30/59/396023059.db2.gz LRBQRXNNDDUQCB-KFWWJZLASA-N 2 2 321.425 0.806 10 0 DCAELP Cc1noc(C)c1C[NH+]1CCN(C(=O)C2([NH3+])CCOCC2)CC1 ZINC000261670798 396054542 /nfs/dbraw/zinc/05/45/42/396054542.db2.gz BUUFQFDMCSITKJ-UHFFFAOYSA-N 2 2 322.409 0.444 10 0 DCAELP [NH3+]C1(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CCOCC1 ZINC000261790925 396066684 /nfs/dbraw/zinc/06/66/84/396066684.db2.gz SYVZTWASESFTQC-UHFFFAOYSA-N 2 2 319.405 0.965 10 0 DCAELP C[NH+](C)C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1NC(=O)c1cnco1 ZINC000169791068 396093369 /nfs/dbraw/zinc/09/33/69/396093369.db2.gz NOSYLBOGOSPJQA-CHWSQXEVSA-N 2 2 315.377 0.866 10 0 DCAELP C[C@H](CNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000175772385 396142071 /nfs/dbraw/zinc/14/20/71/396142071.db2.gz HYCVHRJUDAADMF-ILXRZTDVSA-N 2 2 312.458 0.879 10 0 DCAELP C[NH+](C)CCOc1ccccc1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000171287404 396112358 /nfs/dbraw/zinc/11/23/58/396112358.db2.gz ATJFUMHFKXGZIR-CQSZACIVSA-N 2 2 321.421 0.687 10 0 DCAELP C[NH+](C)CCOc1ccccc1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000171287404 396112359 /nfs/dbraw/zinc/11/23/59/396112359.db2.gz ATJFUMHFKXGZIR-CQSZACIVSA-N 2 2 321.421 0.687 10 0 DCAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCC(=O)NC(=O)NC)C1 ZINC000171625416 396120682 /nfs/dbraw/zinc/12/06/82/396120682.db2.gz RUMBNMYCKPUIHV-GFCCVEGCSA-N 2 2 307.398 0.928 10 0 DCAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCC(=O)NC(=O)NC)C1 ZINC000171625416 396120686 /nfs/dbraw/zinc/12/06/86/396120686.db2.gz RUMBNMYCKPUIHV-GFCCVEGCSA-N 2 2 307.398 0.928 10 0 DCAELP NC(=O)NC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278953588 396143057 /nfs/dbraw/zinc/14/30/57/396143057.db2.gz WAZDCNGUJYJGRM-UHFFFAOYSA-N 2 2 305.382 0.594 10 0 DCAELP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)C[C@@H](C)O1 ZINC000262919794 396192310 /nfs/dbraw/zinc/19/23/10/396192310.db2.gz GSNUDURNEXVXKA-IJLUTSLNSA-N 2 2 319.396 0.988 10 0 DCAELP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000179283109 396225228 /nfs/dbraw/zinc/22/52/28/396225228.db2.gz KIXJWKBOANCUBP-MRXNPFEDSA-N 3 2 323.485 0.502 10 0 DCAELP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000179283109 396225230 /nfs/dbraw/zinc/22/52/30/396225230.db2.gz KIXJWKBOANCUBP-MRXNPFEDSA-N 3 2 323.485 0.502 10 0 DCAELP C[N@@H+]1CCO[C@@H](C(=O)N2CCCN(c3cccc[nH+]3)CC2)C1 ZINC000186429698 396349837 /nfs/dbraw/zinc/34/98/37/396349837.db2.gz IIANFDSVVFCBOM-CQSZACIVSA-N 2 2 304.394 0.451 10 0 DCAELP C[N@H+]1CCO[C@@H](C(=O)N2CCCN(c3cccc[nH+]3)CC2)C1 ZINC000186429698 396349838 /nfs/dbraw/zinc/34/98/38/396349838.db2.gz IIANFDSVVFCBOM-CQSZACIVSA-N 2 2 304.394 0.451 10 0 DCAELP C[C@H]1C[N@H+](CCN2CCC[NH+](Cc3cnn(C)c3)CC2)CCO1 ZINC000191485688 396420660 /nfs/dbraw/zinc/42/06/60/396420660.db2.gz ZNMLZCPSORXXFD-INIZCTEOSA-N 2 2 321.469 0.649 10 0 DCAELP C[C@H]1C[N@@H+](CCN2CCC[NH+](Cc3cnn(C)c3)CC2)CCO1 ZINC000191485688 396420664 /nfs/dbraw/zinc/42/06/64/396420664.db2.gz ZNMLZCPSORXXFD-INIZCTEOSA-N 2 2 321.469 0.649 10 0 DCAELP C[C@H]1C[NH+](CCN2CCC[N@H+](Cc3cnn(C)c3)CC2)CCO1 ZINC000191485688 396420667 /nfs/dbraw/zinc/42/06/67/396420667.db2.gz ZNMLZCPSORXXFD-INIZCTEOSA-N 2 2 321.469 0.649 10 0 DCAELP C[C@H]1C[NH+](CCN2CCC[N@@H+](Cc3cnn(C)c3)CC2)CCO1 ZINC000191485688 396420671 /nfs/dbraw/zinc/42/06/71/396420671.db2.gz ZNMLZCPSORXXFD-INIZCTEOSA-N 2 2 321.469 0.649 10 0 DCAELP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000192788215 396437353 /nfs/dbraw/zinc/43/73/53/396437353.db2.gz IKMVUFFEPZTAJI-ZIAGYGMSSA-N 2 2 300.447 0.737 10 0 DCAELP C[C@H]([NH3+])CCC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000193303893 396448736 /nfs/dbraw/zinc/44/87/36/396448736.db2.gz VIGOFMFNNDEHTQ-JSGCOSHPSA-N 2 2 301.456 0.438 10 0 DCAELP c1nc(N2CC[N@H+]3CCOC[C@H]3C2)cc(N2CCSCC2)[nH+]1 ZINC000375943530 396849014 /nfs/dbraw/zinc/84/90/14/396849014.db2.gz VQYHIXZDQBGGRK-CYBMUJFWSA-N 2 2 321.450 0.551 10 0 DCAELP c1nc(N2CC[N@@H+]3CCOC[C@H]3C2)cc(N2CCSCC2)[nH+]1 ZINC000375943530 396849019 /nfs/dbraw/zinc/84/90/19/396849019.db2.gz VQYHIXZDQBGGRK-CYBMUJFWSA-N 2 2 321.450 0.551 10 0 DCAELP COC(=O)CCNC(=O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003723 158100027 /nfs/dbraw/zinc/10/00/27/158100027.db2.gz JXOOBYOYSQTGRX-CYBMUJFWSA-N 2 2 322.409 0.354 10 0 DCAELP COC(=O)CCNC(=O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003723 158100029 /nfs/dbraw/zinc/10/00/29/158100029.db2.gz JXOOBYOYSQTGRX-CYBMUJFWSA-N 2 2 322.409 0.354 10 0 DCAELP Cc1n[nH]cc1C[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000121073057 158206843 /nfs/dbraw/zinc/20/68/43/158206843.db2.gz UIAXARYQCGTXBP-KRWDZBQOSA-N 2 2 321.469 0.945 10 0 DCAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)NC(=O)NCC(F)(F)F)CC[N@@H+]1C ZINC000123882957 158235286 /nfs/dbraw/zinc/23/52/86/158235286.db2.gz MJTLVKXIWGKYFO-NXEZZACHSA-N 2 2 324.347 0.789 10 0 DCAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)NC(=O)NCC(F)(F)F)CC[N@H+]1C ZINC000123882957 158235287 /nfs/dbraw/zinc/23/52/87/158235287.db2.gz MJTLVKXIWGKYFO-NXEZZACHSA-N 2 2 324.347 0.789 10 0 DCAELP C[C@@H]1C[C@H]([N@H+](C)CC(=O)NC(=O)NCC(F)(F)F)CC[NH+]1C ZINC000123882957 158235288 /nfs/dbraw/zinc/23/52/88/158235288.db2.gz MJTLVKXIWGKYFO-NXEZZACHSA-N 2 2 324.347 0.789 10 0 DCAELP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)NC(=O)NCC(F)(F)F)CC[NH+]1C ZINC000123882957 158235289 /nfs/dbraw/zinc/23/52/89/158235289.db2.gz MJTLVKXIWGKYFO-NXEZZACHSA-N 2 2 324.347 0.789 10 0 DCAELP C[C@@H](CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)[NH+]1CCOCC1 ZINC000174157415 158414877 /nfs/dbraw/zinc/41/48/77/158414877.db2.gz QZNPXNWCYCYMKJ-JKSUJKDBSA-N 2 2 324.469 0.834 10 0 DCAELP C[N@@H+]1CC[C@@](O)(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000329601384 159105885 /nfs/dbraw/zinc/10/58/85/159105885.db2.gz KNCBLYSINVJDJV-QGZVFWFLSA-N 3 2 304.438 0.702 10 0 DCAELP C[N@H+]1CC[C@@](O)(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000329601384 159105886 /nfs/dbraw/zinc/10/58/86/159105886.db2.gz KNCBLYSINVJDJV-QGZVFWFLSA-N 3 2 304.438 0.702 10 0 DCAELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cn([C@@H]3COC[C@H]3OC)nn2)[C@H](C)C1 ZINC000329719715 159114336 /nfs/dbraw/zinc/11/43/36/159114336.db2.gz AFRQFMAVLDGVKI-DTZQCDIJSA-N 2 2 323.441 0.684 10 0 DCAELP CC[N@H+]1CC[C@@H]([NH2+]Cc2cn([C@@H]3COC[C@H]3OC)nn2)[C@H](C)C1 ZINC000329719715 159114338 /nfs/dbraw/zinc/11/43/38/159114338.db2.gz AFRQFMAVLDGVKI-DTZQCDIJSA-N 2 2 323.441 0.684 10 0 DCAELP CO[C@@H]1COC[C@H]1n1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)nn1 ZINC000329791389 159120511 /nfs/dbraw/zinc/12/05/11/159120511.db2.gz UMQOMXOAEUZXQZ-ARLBYUKCSA-N 2 2 321.425 0.581 10 0 DCAELP CO[C@@H]1COC[C@H]1n1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)nn1 ZINC000329791389 159120512 /nfs/dbraw/zinc/12/05/12/159120512.db2.gz UMQOMXOAEUZXQZ-ARLBYUKCSA-N 2 2 321.425 0.581 10 0 DCAELP CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000408070601 160028269 /nfs/dbraw/zinc/02/82/69/160028269.db2.gz JYMXAZXESLESQL-KGLIPLIRSA-N 2 2 303.472 0.922 10 0 DCAELP C[C@@H]1CN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)[C@@H](C)C[N@@H+]1C ZINC000408389742 160098536 /nfs/dbraw/zinc/09/85/36/160098536.db2.gz NSEOTCNJDFLGSP-HZSPNIEDSA-N 2 2 305.426 0.967 10 0 DCAELP C[C@@H]1CN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)[C@@H](C)C[N@H+]1C ZINC000408389742 160098538 /nfs/dbraw/zinc/09/85/38/160098538.db2.gz NSEOTCNJDFLGSP-HZSPNIEDSA-N 2 2 305.426 0.967 10 0 DCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245659625 287071614 /nfs/dbraw/zinc/07/16/14/287071614.db2.gz CZCVYSSZOSQJQN-ILXRZTDVSA-N 2 2 312.458 0.831 10 0 DCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245659625 287071617 /nfs/dbraw/zinc/07/16/17/287071617.db2.gz CZCVYSSZOSQJQN-ILXRZTDVSA-N 2 2 312.458 0.831 10 0 DCAELP C[C@@H](C[NH+]1CCOCC1)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000091559229 415533581 /nfs/dbraw/zinc/53/35/81/415533581.db2.gz YFHNYBORARDDPG-ZWKOTPCHSA-N 2 2 324.513 0.809 10 0 DCAELP C[C@@H](C[NH+]1CCOCC1)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000091559229 415533587 /nfs/dbraw/zinc/53/35/87/415533587.db2.gz YFHNYBORARDDPG-ZWKOTPCHSA-N 2 2 324.513 0.809 10 0 DCAELP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000105148749 415630990 /nfs/dbraw/zinc/63/09/90/415630990.db2.gz XRQNJHGMQGMUDP-KGLIPLIRSA-N 2 2 300.447 0.593 10 0 DCAELP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000105148749 415630995 /nfs/dbraw/zinc/63/09/95/415630995.db2.gz XRQNJHGMQGMUDP-KGLIPLIRSA-N 2 2 300.447 0.593 10 0 DCAELP CC(C)(CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000105079165 415632979 /nfs/dbraw/zinc/63/29/79/415632979.db2.gz ZAVMXDUZSPQSFE-OAHLLOKOSA-N 2 2 324.469 0.977 10 0 DCAELP CC(C)(CNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000105079165 415632986 /nfs/dbraw/zinc/63/29/86/415632986.db2.gz ZAVMXDUZSPQSFE-OAHLLOKOSA-N 2 2 324.469 0.977 10 0 DCAELP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000113579094 415717929 /nfs/dbraw/zinc/71/79/29/415717929.db2.gz JITIJBKVYRIPNQ-LSDHHAIUSA-N 2 2 324.469 0.975 10 0 DCAELP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000113579094 415717937 /nfs/dbraw/zinc/71/79/37/415717937.db2.gz JITIJBKVYRIPNQ-LSDHHAIUSA-N 2 2 324.469 0.975 10 0 DCAELP C[C@H]1CC[NH2+]C[C@@H]1Nc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000333910143 415765405 /nfs/dbraw/zinc/76/54/05/415765405.db2.gz LBUHPGSEWRNVQE-RYUDHWBXSA-N 2 2 304.398 0.165 10 0 DCAELP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173864497 416067255 /nfs/dbraw/zinc/06/72/55/416067255.db2.gz KOEVIFXODUPATD-GJZGRUSLSA-N 2 2 308.426 0.363 10 0 DCAELP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000174749672 416086573 /nfs/dbraw/zinc/08/65/73/416086573.db2.gz FYPYEFNDAFBXHU-HUUCEWRRSA-N 2 2 312.458 0.690 10 0 DCAELP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000174749672 416086575 /nfs/dbraw/zinc/08/65/75/416086575.db2.gz FYPYEFNDAFBXHU-HUUCEWRRSA-N 2 2 312.458 0.690 10 0 DCAELP CCC[NH+](C)C[C@H]1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000174749672 416086579 /nfs/dbraw/zinc/08/65/79/416086579.db2.gz FYPYEFNDAFBXHU-HUUCEWRRSA-N 2 2 312.458 0.690 10 0 DCAELP CCC[NH+](C)C[C@H]1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000174749672 416086583 /nfs/dbraw/zinc/08/65/83/416086583.db2.gz FYPYEFNDAFBXHU-HUUCEWRRSA-N 2 2 312.458 0.690 10 0 DCAELP O=C([C@@H]1CCCn2cc[nH+]c21)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000176448724 416126365 /nfs/dbraw/zinc/12/63/65/416126365.db2.gz HQZYMAZXRNKSHH-LSDHHAIUSA-N 2 2 318.421 0.941 10 0 DCAELP CN(C[C@@H]1CCCO1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179286201 416184214 /nfs/dbraw/zinc/18/42/14/416184214.db2.gz WRTDWHYDOWRMLJ-HNNXBMFYSA-N 2 2 312.458 0.833 10 0 DCAELP Cn1cc([C@H]2C[NH2+]CCN2C(=O)c2ccc3[nH+]ccn3c2)cn1 ZINC000181397771 416205656 /nfs/dbraw/zinc/20/56/56/416205656.db2.gz WBYCTEUEAAZDRM-CQSZACIVSA-N 2 2 310.361 0.855 10 0 DCAELP Cc1[nH+]ccn1CCNC(=O)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000357964671 416161341 /nfs/dbraw/zinc/16/13/41/416161341.db2.gz PEINLFUVSLWCKV-UHFFFAOYSA-N 2 2 319.409 0.076 10 0 DCAELP Cc1[nH+]ccn1CCNC(=O)C(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000357964671 416161346 /nfs/dbraw/zinc/16/13/46/416161346.db2.gz PEINLFUVSLWCKV-UHFFFAOYSA-N 2 2 319.409 0.076 10 0 DCAELP CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000193821089 416319891 /nfs/dbraw/zinc/31/98/91/416319891.db2.gz INWNWFWYZWYBHK-ZDUSSCGKSA-N 2 2 310.442 0.092 10 0 DCAELP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CCn2cc[nH+]c2C1 ZINC000638095983 417322584 /nfs/dbraw/zinc/32/25/84/417322584.db2.gz DXFITORCSLQQRA-OAHLLOKOSA-N 2 2 313.405 0.685 10 0 DCAELP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CCn2cc[nH+]c2C1 ZINC000638095983 417322589 /nfs/dbraw/zinc/32/25/89/417322589.db2.gz DXFITORCSLQQRA-OAHLLOKOSA-N 2 2 313.405 0.685 10 0 DCAELP C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000262359289 280059040 /nfs/dbraw/zinc/05/90/40/280059040.db2.gz VBINGBORVCLVLB-JMSVASOKSA-N 2 2 320.437 0.989 10 0 DCAELP O=C(NCCNc1cc[nH+]cc1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000554387928 288319689 /nfs/dbraw/zinc/31/96/89/288319689.db2.gz BETYUXRCAPQAJZ-INIZCTEOSA-N 2 2 318.421 0.675 10 0 DCAELP O=C(NCCNc1cc[nH+]cc1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000554387928 288319692 /nfs/dbraw/zinc/31/96/92/288319692.db2.gz BETYUXRCAPQAJZ-INIZCTEOSA-N 2 2 318.421 0.675 10 0 DCAELP C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CCC1 ZINC000583123272 337244201 /nfs/dbraw/zinc/24/42/01/337244201.db2.gz LEIBLAWCRMTNIC-UHFFFAOYSA-N 2 2 315.377 0.873 10 0 DCAELP C[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2([NH3+])C=C[C@@H](O)[C@@H]3O5 ZINC000584607059 337371771 /nfs/dbraw/zinc/37/17/71/337371771.db2.gz SHVUTVZUBONGMK-LQPBRMSDSA-N 2 2 300.358 0.279 10 0 DCAELP C[N@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2([NH3+])C=C[C@@H](O)[C@@H]3O5 ZINC000584607059 337371772 /nfs/dbraw/zinc/37/17/72/337371772.db2.gz SHVUTVZUBONGMK-LQPBRMSDSA-N 2 2 300.358 0.279 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H](CO)c2ccccc2)CC1 ZINC000182919676 521666947 /nfs/dbraw/zinc/66/69/47/521666947.db2.gz VIAYUWPDJYUEPF-GDBMZVCRSA-N 2 2 305.422 0.862 10 0 DCAELP CO[C@H]1CC[C@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1 ZINC000364999451 524003757 /nfs/dbraw/zinc/00/37/57/524003757.db2.gz FLURDTRMRWZILX-IRXDYDNUSA-N 2 2 311.470 0.940 10 0 DCAELP CO[C@H]1CC[C@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC000364999451 524003763 /nfs/dbraw/zinc/00/37/63/524003763.db2.gz FLURDTRMRWZILX-IRXDYDNUSA-N 2 2 311.470 0.940 10 0 DCAELP CC(C)(C)[NH2+]CCNC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000174251062 526330199 /nfs/dbraw/zinc/33/01/99/526330199.db2.gz FUZHSHGBFHWMGQ-UHFFFAOYSA-N 2 2 319.453 0.708 10 0 DCAELP CNc1cc(N2CCC[C@@H]2CNC(=O)C2CC[NH2+]CC2)nc[nH+]1 ZINC000182366950 199426773 /nfs/dbraw/zinc/42/67/73/199426773.db2.gz IPGQNNWUTLMSHZ-CYBMUJFWSA-N 2 2 318.425 0.603 10 0 DCAELP CNc1cc(N2CCC[C@@H]2CNC(=O)C2CC[NH2+]CC2)[nH+]cn1 ZINC000182366950 199426774 /nfs/dbraw/zinc/42/67/74/199426774.db2.gz IPGQNNWUTLMSHZ-CYBMUJFWSA-N 2 2 318.425 0.603 10 0 DCAELP [NH3+]C1(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)Cc2ccccc2C1 ZINC000165521155 283398482 /nfs/dbraw/zinc/39/84/82/283398482.db2.gz WRSLMBLRYOQFPG-INIZCTEOSA-N 2 2 315.417 0.416 10 0 DCAELP C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000105279323 194092405 /nfs/dbraw/zinc/09/24/05/194092405.db2.gz YNUZUJYKVIPKPQ-CVEARBPZSA-N 2 2 324.469 0.977 10 0 DCAELP C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000105279323 194092407 /nfs/dbraw/zinc/09/24/07/194092407.db2.gz YNUZUJYKVIPKPQ-CVEARBPZSA-N 2 2 324.469 0.977 10 0 DCAELP Cc1[nH+]ccn1CCCNC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000283942393 131035938 /nfs/dbraw/zinc/03/59/38/131035938.db2.gz JURZUFGTUGKVOY-HUUCEWRRSA-N 2 2 321.425 0.696 10 0 DCAELP Cc1[nH+]ccn1CCCNC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000283942393 131035939 /nfs/dbraw/zinc/03/59/39/131035939.db2.gz JURZUFGTUGKVOY-HUUCEWRRSA-N 2 2 321.425 0.696 10 0 DCAELP CCN(CC)C(=O)C[NH+]1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000163954465 132128967 /nfs/dbraw/zinc/12/89/67/132128967.db2.gz ZAKHRUOCUMIRMU-CABCVRRESA-N 2 2 324.469 0.517 10 0 DCAELP C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093193674 395736676 /nfs/dbraw/zinc/73/66/76/395736676.db2.gz NTQWYQLXSPOJAM-RHSMWYFYSA-N 2 2 311.470 0.927 10 0 DCAELP CCOC(=O)C1CCN(C(=O)C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CC1 ZINC000193638054 395776093 /nfs/dbraw/zinc/77/60/93/395776093.db2.gz LEQRSMLWXGRHMH-GASCZTMLSA-N 2 2 323.437 0.282 10 0 DCAELP CCOC(=O)C1CCN(C(=O)C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CC1 ZINC000193638054 395776094 /nfs/dbraw/zinc/77/60/94/395776094.db2.gz LEQRSMLWXGRHMH-GASCZTMLSA-N 2 2 323.437 0.282 10 0 DCAELP CCOC(=O)C1CCN(C(=O)C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)CC1 ZINC000193638054 395776096 /nfs/dbraw/zinc/77/60/96/395776096.db2.gz LEQRSMLWXGRHMH-GASCZTMLSA-N 2 2 323.437 0.282 10 0 DCAELP CCOC(=O)C1CCN(C(=O)C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)CC1 ZINC000193638054 395776098 /nfs/dbraw/zinc/77/60/98/395776098.db2.gz LEQRSMLWXGRHMH-GASCZTMLSA-N 2 2 323.437 0.282 10 0 DCAELP C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000194723728 395805554 /nfs/dbraw/zinc/80/55/54/395805554.db2.gz SBHSPGBOGBJPKI-CYBMUJFWSA-N 2 2 301.350 0.328 10 0 DCAELP C[N@H+]1CCO[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000194723728 395805558 /nfs/dbraw/zinc/80/55/58/395805558.db2.gz SBHSPGBOGBJPKI-CYBMUJFWSA-N 2 2 301.350 0.328 10 0 DCAELP C[C@H](CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000115796681 395841682 /nfs/dbraw/zinc/84/16/82/395841682.db2.gz CCEXGGBXRNPCPB-HUUCEWRRSA-N 2 2 312.458 0.690 10 0 DCAELP COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000248866241 395999367 /nfs/dbraw/zinc/99/93/67/395999367.db2.gz TVHWVEXTFCWOPR-NFAWXSAZSA-N 2 2 309.410 0.034 10 0 DCAELP COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000248866241 395999370 /nfs/dbraw/zinc/99/93/70/395999370.db2.gz TVHWVEXTFCWOPR-NFAWXSAZSA-N 2 2 309.410 0.034 10 0 DCAELP C[NH+](C)C[C@@H](NC(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000246387330 395949182 /nfs/dbraw/zinc/94/91/82/395949182.db2.gz IFDVRKGELDKLMQ-JKSUJKDBSA-N 2 2 320.437 0.919 10 0 DCAELP C[NH+](C)C[C@@H](NC(=O)NC[C@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000246387330 395949183 /nfs/dbraw/zinc/94/91/83/395949183.db2.gz IFDVRKGELDKLMQ-JKSUJKDBSA-N 2 2 320.437 0.919 10 0 DCAELP CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000246473100 395950410 /nfs/dbraw/zinc/95/04/10/395950410.db2.gz QUPBFJKTUJAACL-ILXRZTDVSA-N 2 2 312.458 0.879 10 0 DCAELP CC[N@H+]1CCC[C@H](NC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000246473100 395950412 /nfs/dbraw/zinc/95/04/12/395950412.db2.gz QUPBFJKTUJAACL-ILXRZTDVSA-N 2 2 312.458 0.879 10 0 DCAELP C[NH+](C)[C@H](CNC(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccco1 ZINC000246514146 395951877 /nfs/dbraw/zinc/95/18/77/395951877.db2.gz UYEBTHLLYIJYFZ-QWHCGFSZSA-N 2 2 310.398 0.512 10 0 DCAELP C[NH+](C)[C@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCO1)c1ccco1 ZINC000246514146 395951879 /nfs/dbraw/zinc/95/18/79/395951879.db2.gz UYEBTHLLYIJYFZ-QWHCGFSZSA-N 2 2 310.398 0.512 10 0 DCAELP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000247606021 395976800 /nfs/dbraw/zinc/97/68/00/395976800.db2.gz LRLLFVSQHNHJLJ-CVEARBPZSA-N 2 2 323.485 0.502 10 0 DCAELP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000247606021 395976804 /nfs/dbraw/zinc/97/68/04/395976804.db2.gz LRLLFVSQHNHJLJ-CVEARBPZSA-N 2 2 323.485 0.502 10 0 DCAELP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000247606021 395976807 /nfs/dbraw/zinc/97/68/07/395976807.db2.gz LRLLFVSQHNHJLJ-CVEARBPZSA-N 2 2 323.485 0.502 10 0 DCAELP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000247606021 395976809 /nfs/dbraw/zinc/97/68/09/395976809.db2.gz LRLLFVSQHNHJLJ-CVEARBPZSA-N 2 2 323.485 0.502 10 0 DCAELP Cc1noc([C@@]23C[N@H+](CCCO)C[C@@H]2CC[NH+](CCCO)C3)n1 ZINC000257188881 396034655 /nfs/dbraw/zinc/03/46/55/396034655.db2.gz GWZAKKOQYIJGSL-HOCLYGCPSA-N 2 2 324.425 0.018 10 0 DCAELP Cc1noc([C@@]23C[N@@H+](CCCO)C[C@@H]2CC[NH+](CCCO)C3)n1 ZINC000257188881 396034660 /nfs/dbraw/zinc/03/46/60/396034660.db2.gz GWZAKKOQYIJGSL-HOCLYGCPSA-N 2 2 324.425 0.018 10 0 DCAELP Cc1noc([C@@]23C[NH+](CCCO)C[C@@H]2CC[N@H+](CCCO)C3)n1 ZINC000257188881 396034662 /nfs/dbraw/zinc/03/46/62/396034662.db2.gz GWZAKKOQYIJGSL-HOCLYGCPSA-N 2 2 324.425 0.018 10 0 DCAELP Cc1noc([C@@]23C[NH+](CCCO)C[C@@H]2CC[N@@H+](CCCO)C3)n1 ZINC000257188881 396034664 /nfs/dbraw/zinc/03/46/64/396034664.db2.gz GWZAKKOQYIJGSL-HOCLYGCPSA-N 2 2 324.425 0.018 10 0 DCAELP [NH3+][C@H](Cc1ccccc1)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000261845970 396071889 /nfs/dbraw/zinc/07/18/89/396071889.db2.gz CYZMQJNORNKENJ-JKSUJKDBSA-N 2 2 303.406 0.490 10 0 DCAELP COC(=O)c1ccc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000261854707 396072703 /nfs/dbraw/zinc/07/27/03/396072703.db2.gz FAYNYNJFMQIBJA-UHFFFAOYSA-N 2 2 305.378 0.337 10 0 DCAELP COC(=O)c1ccc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000261854707 396072707 /nfs/dbraw/zinc/07/27/07/396072707.db2.gz FAYNYNJFMQIBJA-UHFFFAOYSA-N 2 2 305.378 0.337 10 0 DCAELP O=C(C[C@H]1COCC[NH2+]1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000262143667 396103499 /nfs/dbraw/zinc/10/34/99/396103499.db2.gz MPUZJBOILOFZEA-AWEZNQCLSA-N 2 2 304.394 0.545 10 0 DCAELP [NH3+]CC1(C(=O)N2CCN(c3cccc[nH+]3)CC2)CCOCC1 ZINC000261945010 396082858 /nfs/dbraw/zinc/08/28/58/396082858.db2.gz MBXIFLDHNHTAHS-UHFFFAOYSA-N 2 2 304.394 0.486 10 0 DCAELP Cc1nn(C)c(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)c1Br ZINC000263306173 396212913 /nfs/dbraw/zinc/21/29/13/396212913.db2.gz XYJLOQZJLGIOSZ-WPRPVWTQSA-N 2 2 303.204 0.161 10 0 DCAELP COc1cc[nH+]cc1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000177685210 396181067 /nfs/dbraw/zinc/18/10/67/396181067.db2.gz VLECOZKNPYDBCW-NSHDSACASA-N 2 2 304.350 0.335 10 0 DCAELP COc1cc[nH+]cc1NC(=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000177685210 396181069 /nfs/dbraw/zinc/18/10/69/396181069.db2.gz VLECOZKNPYDBCW-NSHDSACASA-N 2 2 304.350 0.335 10 0 DCAELP C[N@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000075860107 396188136 /nfs/dbraw/zinc/18/81/36/396188136.db2.gz WEVVHLBGKAWGLF-LSDHHAIUSA-N 2 2 324.469 0.517 10 0 DCAELP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000075860107 396188138 /nfs/dbraw/zinc/18/81/38/396188138.db2.gz WEVVHLBGKAWGLF-LSDHHAIUSA-N 2 2 324.469 0.517 10 0 DCAELP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000075860107 396188140 /nfs/dbraw/zinc/18/81/40/396188140.db2.gz WEVVHLBGKAWGLF-LSDHHAIUSA-N 2 2 324.469 0.517 10 0 DCAELP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000075860107 396188143 /nfs/dbraw/zinc/18/81/43/396188143.db2.gz WEVVHLBGKAWGLF-LSDHHAIUSA-N 2 2 324.469 0.517 10 0 DCAELP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)C[C@H](C)O1 ZINC000262919793 396192406 /nfs/dbraw/zinc/19/24/06/396192406.db2.gz GSNUDURNEXVXKA-GRYCIOLGSA-N 2 2 319.396 0.988 10 0 DCAELP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)C[C@H](C)O1 ZINC000262919793 396192408 /nfs/dbraw/zinc/19/24/08/396192408.db2.gz GSNUDURNEXVXKA-GRYCIOLGSA-N 2 2 319.396 0.988 10 0 DCAELP C[NH+]1CCC(CNC(=O)N2CC(CO)C2)([NH+]2CCCCC2)CC1 ZINC000189319720 396393163 /nfs/dbraw/zinc/39/31/63/396393163.db2.gz YWJXJLCGLUFCTQ-UHFFFAOYSA-N 2 2 324.469 0.570 10 0 DCAELP C[N@H+](CC(=O)N1CCC[C@@H](C(N)=O)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375784899 396819824 /nfs/dbraw/zinc/81/98/24/396819824.db2.gz JDOWWPWKPWVTLK-JKXDFHQYSA-N 2 2 322.453 0.267 10 0 DCAELP C[N@@H+](CC(=O)N1CCC[C@@H](C(N)=O)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375784899 396819829 /nfs/dbraw/zinc/81/98/29/396819829.db2.gz JDOWWPWKPWVTLK-JKXDFHQYSA-N 2 2 322.453 0.267 10 0 DCAELP C[NH+](CC(=O)N1CCC[C@@H](C(N)=O)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375784899 396819831 /nfs/dbraw/zinc/81/98/31/396819831.db2.gz JDOWWPWKPWVTLK-JKXDFHQYSA-N 2 2 322.453 0.267 10 0 DCAELP C[NH+](CC(=O)N1CCC[C@@H](C(N)=O)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375784899 396819835 /nfs/dbraw/zinc/81/98/35/396819835.db2.gz JDOWWPWKPWVTLK-JKXDFHQYSA-N 2 2 322.453 0.267 10 0 DCAELP Cc1cccc(N2CCC(NC(=O)[C@H]3C[N@H+](C)CCO3)CC2)[nH+]1 ZINC000081410782 158084074 /nfs/dbraw/zinc/08/40/74/158084074.db2.gz HQPWVZPYEXVEAO-OAHLLOKOSA-N 2 2 318.421 0.806 10 0 DCAELP Cc1cccc(N2CCC(NC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)[nH+]1 ZINC000081410782 158084080 /nfs/dbraw/zinc/08/40/80/158084080.db2.gz HQPWVZPYEXVEAO-OAHLLOKOSA-N 2 2 318.421 0.806 10 0 DCAELP CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](C)[NH+]2CCOCC2)C1 ZINC000097174561 158125393 /nfs/dbraw/zinc/12/53/93/158125393.db2.gz DEILFHYHIBLOID-CABCVRRESA-N 2 2 312.458 0.738 10 0 DCAELP CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@@H](C)[NH+]2CCOCC2)C1 ZINC000097174561 158125396 /nfs/dbraw/zinc/12/53/96/158125396.db2.gz DEILFHYHIBLOID-CABCVRRESA-N 2 2 312.458 0.738 10 0 DCAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CCn3cccn3)CC2)C1 ZINC000105846057 158130639 /nfs/dbraw/zinc/13/06/39/158130639.db2.gz ODYKOHAOSFRJBT-KRWDZBQOSA-N 2 2 321.469 0.610 10 0 DCAELP COCC[NH2+]CC(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000167972599 158371357 /nfs/dbraw/zinc/37/13/57/158371357.db2.gz VDRHZXZSYXJMJC-MRXNPFEDSA-N 2 2 321.421 0.100 10 0 DCAELP C[C@@H]1C[NH+](CC2CC[NH+](CCS(C)(=O)=O)CC2)C[C@@H](C)O1 ZINC000171303862 158382129 /nfs/dbraw/zinc/38/21/29/158382129.db2.gz ZQURHRZRBMXSCE-ZIAGYGMSSA-N 2 2 318.483 0.852 10 0 DCAELP CC1(C)COCC[N@@H+]1CCNC(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000171907107 158388751 /nfs/dbraw/zinc/38/87/51/158388751.db2.gz CGDAKRMLCJPRHW-CQSZACIVSA-N 2 2 310.442 0.587 10 0 DCAELP CC1(C)COCC[N@H+]1CCNC(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000171907107 158388754 /nfs/dbraw/zinc/38/87/54/158388754.db2.gz CGDAKRMLCJPRHW-CQSZACIVSA-N 2 2 310.442 0.587 10 0 DCAELP CC1(C)COCC[NH+]1CCNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171907107 158388756 /nfs/dbraw/zinc/38/87/56/158388756.db2.gz CGDAKRMLCJPRHW-CQSZACIVSA-N 2 2 310.442 0.587 10 0 DCAELP CC1(C)COCC[NH+]1CCNC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171907107 158388757 /nfs/dbraw/zinc/38/87/57/158388757.db2.gz CGDAKRMLCJPRHW-CQSZACIVSA-N 2 2 310.442 0.587 10 0 DCAELP CO[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2C)[N@H+](C)C1 ZINC000329024091 159052877 /nfs/dbraw/zinc/05/28/77/159052877.db2.gz NCJIRZHYRUFLKH-ILXRZTDVSA-N 2 2 306.410 0.902 10 0 DCAELP CO[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2C)[N@@H+](C)C1 ZINC000329024091 159052879 /nfs/dbraw/zinc/05/28/79/159052879.db2.gz NCJIRZHYRUFLKH-ILXRZTDVSA-N 2 2 306.410 0.902 10 0 DCAELP C[C@@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C)[NH+]1CCOCC1 ZINC000246366085 287082094 /nfs/dbraw/zinc/08/20/94/287082094.db2.gz QMDYEBGMOFNZCC-QLFBSQMISA-N 2 2 312.458 0.689 10 0 DCAELP C[C@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1CCO ZINC000249502640 287112100 /nfs/dbraw/zinc/11/21/00/287112100.db2.gz JEZLTFANJUOSRD-HOCLYGCPSA-N 2 2 305.422 0.814 10 0 DCAELP C[C@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC[N@H+]1CCO ZINC000249502640 287112103 /nfs/dbraw/zinc/11/21/03/287112103.db2.gz JEZLTFANJUOSRD-HOCLYGCPSA-N 2 2 305.422 0.814 10 0 DCAELP O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000332901507 415508540 /nfs/dbraw/zinc/50/85/40/415508540.db2.gz OROULTWLLMNZGH-STQMWFEESA-N 2 2 301.394 0.923 10 0 DCAELP O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000332901507 415508551 /nfs/dbraw/zinc/50/85/51/415508551.db2.gz OROULTWLLMNZGH-STQMWFEESA-N 2 2 301.394 0.923 10 0 DCAELP C[N@@H+]1CCO[C@H](CNC(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000105282404 415629290 /nfs/dbraw/zinc/62/92/90/415629290.db2.gz MACCDLRTUGVXCZ-OAHLLOKOSA-N 2 2 310.442 0.587 10 0 DCAELP C[N@H+]1CCO[C@H](CNC(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000105282404 415629299 /nfs/dbraw/zinc/62/92/99/415629299.db2.gz MACCDLRTUGVXCZ-OAHLLOKOSA-N 2 2 310.442 0.587 10 0 DCAELP C[N@H+]1CCO[C@H](CNC(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000105283453 415630894 /nfs/dbraw/zinc/63/08/94/415630894.db2.gz ZAEVTCAJOCOYRM-CQSZACIVSA-N 2 2 307.398 0.560 10 0 DCAELP CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000333857378 415752984 /nfs/dbraw/zinc/75/29/84/415752984.db2.gz RFZBGZOWGUAMNY-LBPRGKRZSA-N 2 2 311.430 0.770 10 0 DCAELP C[C@H](O)[C@H]1CCN(c2cc(N3CC[NH+](C4CC4)CC3)nc[nH+]2)C1 ZINC000334027151 415788041 /nfs/dbraw/zinc/78/80/41/415788041.db2.gz HXOPNKFHMMBTEC-KBPBESRZSA-N 2 2 317.437 0.968 10 0 DCAELP C[NH+](C)Cc1cccc(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000128061754 415896473 /nfs/dbraw/zinc/89/64/73/415896473.db2.gz RZDDLJGSLQCFFD-MRXNPFEDSA-N 2 2 321.421 0.171 10 0 DCAELP C[NH+]1CC[C@H]2[C@H](CCCN2C(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000182705231 416229941 /nfs/dbraw/zinc/22/99/41/416229941.db2.gz PYFIGGKSQMAIDL-KFWWJZLASA-N 2 2 310.442 0.443 10 0 DCAELP C[NH+]1CC[C@H]2[C@H](CCCN2C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000182705231 416229946 /nfs/dbraw/zinc/22/99/46/416229946.db2.gz PYFIGGKSQMAIDL-KFWWJZLASA-N 2 2 310.442 0.443 10 0 DCAELP C[NH+]1CCO[C@H](CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)C1 ZINC000182705231 416229950 /nfs/dbraw/zinc/22/99/50/416229950.db2.gz PYFIGGKSQMAIDL-KFWWJZLASA-N 2 2 310.442 0.443 10 0 DCAELP C[NH+]1CCO[C@H](CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)C1 ZINC000182705231 416229954 /nfs/dbraw/zinc/22/99/54/416229954.db2.gz PYFIGGKSQMAIDL-KFWWJZLASA-N 2 2 310.442 0.443 10 0 DCAELP C[C@H](O)C[N@@H+]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC000248428905 416333354 /nfs/dbraw/zinc/33/33/54/416333354.db2.gz PQOPHMPZXAPMTL-OLZOCXBDSA-N 2 2 306.410 0.675 10 0 DCAELP C[C@H](O)C[N@H+]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC000248428905 416333355 /nfs/dbraw/zinc/33/33/55/416333355.db2.gz PQOPHMPZXAPMTL-OLZOCXBDSA-N 2 2 306.410 0.675 10 0 DCAELP CNC(=O)NC(=O)C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516091 416326656 /nfs/dbraw/zinc/32/66/56/416326656.db2.gz ONBIBBXZEZJHSM-GFCCVEGCSA-N 2 2 305.382 0.579 10 0 DCAELP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000408389919 277236553 /nfs/dbraw/zinc/23/65/53/277236553.db2.gz PIKOTMKHMXSXEU-NEPJUHHUSA-N 2 2 319.409 0.853 10 0 DCAELP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000408389919 277236554 /nfs/dbraw/zinc/23/65/54/277236554.db2.gz PIKOTMKHMXSXEU-NEPJUHHUSA-N 2 2 319.409 0.853 10 0 DCAELP CC(=O)N[C@H](C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000172749449 278164635 /nfs/dbraw/zinc/16/46/35/278164635.db2.gz RBAPNUYCCBXPTK-CQSZACIVSA-N 2 2 324.469 0.578 10 0 DCAELP C[C@H]1CCC[N@H+](CCNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000173784742 278342536 /nfs/dbraw/zinc/34/25/36/278342536.db2.gz BIELXPUDAVKABF-HOTGVXAUSA-N 2 2 324.469 0.834 10 0 DCAELP C[C@H]1CCC[N@@H+](CCNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000173784742 278342537 /nfs/dbraw/zinc/34/25/37/278342537.db2.gz BIELXPUDAVKABF-HOTGVXAUSA-N 2 2 324.469 0.834 10 0 DCAELP CN(CCC[NH+](C)C)C(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000556246701 288373204 /nfs/dbraw/zinc/37/32/04/288373204.db2.gz QCEYOMCFQZKLSE-UHFFFAOYSA-N 2 2 321.425 0.410 10 0 DCAELP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000246861593 526373284 /nfs/dbraw/zinc/37/32/84/526373284.db2.gz MBBYXDUIIXUREL-WTXIUTQJSA-N 2 2 307.438 0.840 10 0 DCAELP CC(C)(C)OC(=O)N1CC[NH2+][C@@H](c2cnnn2[C@H]2CC[NH2+]C2)C1 ZINC000685952190 548748825 /nfs/dbraw/zinc/74/88/25/548748825.db2.gz ZVFHWVQVIBETLL-NWDGAFQWSA-N 2 2 322.413 0.694 10 0 DCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CSC(=O)N1 ZINC000174718195 664699657 /nfs/dbraw/zinc/69/96/57/664699657.db2.gz NZTIEUWSILVUEQ-LBPRGKRZSA-N 2 2 314.455 0.296 10 0 DCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CSC(=O)N1 ZINC000174718195 664699659 /nfs/dbraw/zinc/69/96/59/664699659.db2.gz NZTIEUWSILVUEQ-LBPRGKRZSA-N 2 2 314.455 0.296 10 0 DCAELP O=C(C[NH2+]C1CC1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000154653532 665158731 /nfs/dbraw/zinc/15/87/31/665158731.db2.gz NSXRYDMMIOEZJS-INIZCTEOSA-N 2 2 303.406 0.616 10 0 DCAELP Cc1nn[nH]c1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000189902204 670174665 /nfs/dbraw/zinc/17/46/65/670174665.db2.gz KOEQPKIHDPAREF-UHFFFAOYSA-N 2 2 320.441 0.793 10 0 DCAELP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000246160684 685161600 /nfs/dbraw/zinc/16/16/00/685161600.db2.gz AHFFGSAECICWIV-BBWFWOEESA-N 2 2 317.433 0.992 10 0 DCAELP COCC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000381962716 685239585 /nfs/dbraw/zinc/23/95/85/685239585.db2.gz HOWOOBDEWUBSFG-JKSUJKDBSA-N 2 2 321.421 0.367 10 0 DCAELP COCC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000381962716 685239590 /nfs/dbraw/zinc/23/95/90/685239590.db2.gz HOWOOBDEWUBSFG-JKSUJKDBSA-N 2 2 321.421 0.367 10 0 DCAELP CC(=O)N[C@H](C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154295119 291212816 /nfs/dbraw/zinc/21/28/16/291212816.db2.gz KTFPXJRCQJVVSW-SLHHOWHOSA-N 2 2 322.453 0.280 10 0 DCAELP CC(=O)N[C@H](C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000154295119 291212817 /nfs/dbraw/zinc/21/28/17/291212817.db2.gz KTFPXJRCQJVVSW-SLHHOWHOSA-N 2 2 322.453 0.280 10 0 DCAELP CCN(C(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1)C1CCCCC1 ZINC000261684952 284147438 /nfs/dbraw/zinc/14/74/38/284147438.db2.gz IOEOKCKBNFUFMN-UHFFFAOYSA-N 2 2 324.469 0.531 10 0 DCAELP CCN(C(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1)C1CCCCC1 ZINC000261684952 284147443 /nfs/dbraw/zinc/14/74/43/284147443.db2.gz IOEOKCKBNFUFMN-UHFFFAOYSA-N 2 2 324.469 0.531 10 0 DCAELP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1 ZINC000106425125 194211224 /nfs/dbraw/zinc/21/12/24/194211224.db2.gz OJMDMNCTEGOIBY-INIZCTEOSA-N 2 2 305.422 0.608 10 0 DCAELP CO[C@H]1C[C@@H](C(N)=O)[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000284490940 131085477 /nfs/dbraw/zinc/08/54/77/131085477.db2.gz GFGAQOKLWPVMHZ-GJZGRUSLSA-N 2 2 300.362 0.947 10 0 DCAELP CO[C@H]1C[C@@H](C(N)=O)[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000284490940 131085479 /nfs/dbraw/zinc/08/54/79/131085479.db2.gz GFGAQOKLWPVMHZ-GJZGRUSLSA-N 2 2 300.362 0.947 10 0 DCAELP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CCO1 ZINC000116789688 395846321 /nfs/dbraw/zinc/84/63/21/395846321.db2.gz FAVGPDWQQAQYEJ-CQSZACIVSA-N 2 2 315.377 0.670 10 0 DCAELP COCC[N@@H+]1CCN(C(=O)NCCCn2cc[nH+]c2)C[C@H]1C ZINC000117467470 395853163 /nfs/dbraw/zinc/85/31/63/395853163.db2.gz FFMNQRDCVJQFAR-CQSZACIVSA-N 2 2 309.414 0.635 10 0 DCAELP COCC[N@H+]1CCN(C(=O)NCCCn2cc[nH+]c2)C[C@H]1C ZINC000117467470 395853164 /nfs/dbraw/zinc/85/31/64/395853164.db2.gz FFMNQRDCVJQFAR-CQSZACIVSA-N 2 2 309.414 0.635 10 0 DCAELP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000246343664 395947473 /nfs/dbraw/zinc/94/74/73/395947473.db2.gz OXDNMKBHSCZWJW-OAGGEKHMSA-N 2 2 324.469 0.975 10 0 DCAELP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000246343664 395947476 /nfs/dbraw/zinc/94/74/76/395947476.db2.gz OXDNMKBHSCZWJW-OAGGEKHMSA-N 2 2 324.469 0.975 10 0 DCAELP C[C@@H](CNC(=O)N(C)CCCn1cc[nH+]c1)[NH+]1CCOCC1 ZINC000137072784 395950135 /nfs/dbraw/zinc/95/01/35/395950135.db2.gz XRANKJFRLUDJQN-AWEZNQCLSA-N 2 2 309.414 0.635 10 0 DCAELP CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000246473113 395950613 /nfs/dbraw/zinc/95/06/13/395950613.db2.gz QUPBFJKTUJAACL-KFWWJZLASA-N 2 2 312.458 0.879 10 0 DCAELP CC[N@H+]1CCC[C@H](NC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000246473113 395950615 /nfs/dbraw/zinc/95/06/15/395950615.db2.gz QUPBFJKTUJAACL-KFWWJZLASA-N 2 2 312.458 0.879 10 0 DCAELP CCOC(=O)CCCNC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247068128 395966104 /nfs/dbraw/zinc/96/61/04/395966104.db2.gz WKUWLKINCHZSPP-UONOGXRCSA-N 2 2 313.442 0.860 10 0 DCAELP CCOC(=O)CCCNC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247068128 395966105 /nfs/dbraw/zinc/96/61/05/395966105.db2.gz WKUWLKINCHZSPP-UONOGXRCSA-N 2 2 313.442 0.860 10 0 DCAELP CCOC(=O)CCCNC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247068128 395966106 /nfs/dbraw/zinc/96/61/06/395966106.db2.gz WKUWLKINCHZSPP-UONOGXRCSA-N 2 2 313.442 0.860 10 0 DCAELP CCOC(=O)CCCNC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247068128 395966107 /nfs/dbraw/zinc/96/61/07/395966107.db2.gz WKUWLKINCHZSPP-UONOGXRCSA-N 2 2 313.442 0.860 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)CC1 ZINC000247557536 395976352 /nfs/dbraw/zinc/97/63/52/395976352.db2.gz UGKBMHLCTGQRIN-HUUCEWRRSA-N 2 2 319.453 0.762 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](c3cnn(C)c3)C2)CC1 ZINC000247557536 395976357 /nfs/dbraw/zinc/97/63/57/395976357.db2.gz UGKBMHLCTGQRIN-HUUCEWRRSA-N 2 2 319.453 0.762 10 0 DCAELP C[C@]1(C[NH+]2CCN(c3ncccc3C(N)=O)CC2)CC[NH2+]C1 ZINC000261758211 396063128 /nfs/dbraw/zinc/06/31/28/396063128.db2.gz LAEHKCDNGDOMBZ-INIZCTEOSA-N 2 2 303.410 0.302 10 0 DCAELP COc1cc[nH+]cc1NC(=O)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000249251533 396004713 /nfs/dbraw/zinc/00/47/13/396004713.db2.gz XYIGEVSGANRBDB-RYUDHWBXSA-N 2 2 318.377 0.724 10 0 DCAELP COc1cc[nH+]cc1NC(=O)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000249251533 396004715 /nfs/dbraw/zinc/00/47/15/396004715.db2.gz XYIGEVSGANRBDB-RYUDHWBXSA-N 2 2 318.377 0.724 10 0 DCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000262172058 396106441 /nfs/dbraw/zinc/10/64/41/396106441.db2.gz QLZQWNUQTINIMT-OAHLLOKOSA-N 3 2 305.426 0.478 10 0 DCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000262172058 396106443 /nfs/dbraw/zinc/10/64/43/396106443.db2.gz QLZQWNUQTINIMT-OAHLLOKOSA-N 3 2 305.426 0.478 10 0 DCAELP CCc1ccc(C[NH+]2CCN(C(=O)[C@H]([NH3+])COC)CC2)s1 ZINC000262228690 396112741 /nfs/dbraw/zinc/11/27/41/396112741.db2.gz GNVNMKTWTKQSOJ-CQSZACIVSA-N 2 2 311.451 0.928 10 0 DCAELP Cn1ncc2c1nc(NC1CCN(CC[NH+](C)C)CC1)[nH+]c2N ZINC000278454985 396125836 /nfs/dbraw/zinc/12/58/36/396125836.db2.gz SAJPGRKFJHMBML-UHFFFAOYSA-N 2 2 318.429 0.383 10 0 DCAELP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262530549 396151878 /nfs/dbraw/zinc/15/18/78/396151878.db2.gz PMZSKAVEDDKFEY-KGLIPLIRSA-N 2 2 304.394 0.411 10 0 DCAELP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263284647 396211306 /nfs/dbraw/zinc/21/13/06/396211306.db2.gz UUERLBAUANPKJL-QWHCGFSZSA-N 2 2 319.396 0.943 10 0 DCAELP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C[C@@H](C)O1 ZINC000262919797 396192447 /nfs/dbraw/zinc/19/24/47/396192447.db2.gz GSNUDURNEXVXKA-UTUOFQBUSA-N 2 2 319.396 0.988 10 0 DCAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000263313930 396213271 /nfs/dbraw/zinc/21/32/71/396213271.db2.gz ZDVCVFQKDYMLNK-AEFFLSMTSA-N 3 2 303.450 0.863 10 0 DCAELP CNC(=O)C1C[NH+](C[C@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000184784616 396305592 /nfs/dbraw/zinc/30/55/92/396305592.db2.gz SQAHNOGHBOHAHH-MRXNPFEDSA-N 2 2 303.406 0.083 10 0 DCAELP CNC(=O)C1C[NH+](C[C@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000184784616 396305597 /nfs/dbraw/zinc/30/55/97/396305597.db2.gz SQAHNOGHBOHAHH-MRXNPFEDSA-N 2 2 303.406 0.083 10 0 DCAELP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000190165019 396402713 /nfs/dbraw/zinc/40/27/13/396402713.db2.gz KCSRHVFKKZDAJV-HNNXBMFYSA-N 2 2 312.458 0.834 10 0 DCAELP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000190165019 396402714 /nfs/dbraw/zinc/40/27/14/396402714.db2.gz KCSRHVFKKZDAJV-HNNXBMFYSA-N 2 2 312.458 0.834 10 0 DCAELP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCN(C)C(=O)C2)CC1 ZINC000191122107 396415933 /nfs/dbraw/zinc/41/59/33/396415933.db2.gz ZZEJPSXVLBBFOT-UHFFFAOYSA-N 2 2 310.442 0.140 10 0 DCAELP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCN(C)C(=O)C2)CC1 ZINC000191122107 396415935 /nfs/dbraw/zinc/41/59/35/396415935.db2.gz ZZEJPSXVLBBFOT-UHFFFAOYSA-N 2 2 310.442 0.140 10 0 DCAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC[NH+](CCO)CC1)C2 ZINC000372465999 396519670 /nfs/dbraw/zinc/51/96/70/396519670.db2.gz OOBFNJNTHLRROA-ZDUSSCGKSA-N 2 2 320.437 0.775 10 0 DCAELP c1[nH+]cn2c1CN(c1cncc(N3CCn4c[nH+]cc4C3)n1)CC2 ZINC000573618777 397188051 /nfs/dbraw/zinc/18/80/51/397188051.db2.gz XFJDDLQWLWYCMS-UHFFFAOYSA-N 2 2 322.376 0.910 10 0 DCAELP C[C@@H]1CCOCCN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000378461848 397242735 /nfs/dbraw/zinc/24/27/35/397242735.db2.gz LAZXOSHTAGQBHB-CQSZACIVSA-N 2 2 312.458 0.833 10 0 DCAELP CC(=O)N[C@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000613748498 397314246 /nfs/dbraw/zinc/31/42/46/397314246.db2.gz CJTLVOPSJUSPJX-HNNXBMFYSA-N 2 2 322.453 0.330 10 0 DCAELP CC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000613748498 397314250 /nfs/dbraw/zinc/31/42/50/397314250.db2.gz CJTLVOPSJUSPJX-HNNXBMFYSA-N 2 2 322.453 0.330 10 0 DCAELP C[NH+](C)CCOCCNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000471640828 397448041 /nfs/dbraw/zinc/44/80/41/397448041.db2.gz AYNWLJZVPCBSAX-UHFFFAOYSA-N 2 2 309.414 0.877 10 0 DCAELP CN(C(=O)c1ccnnc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371121363 397545789 /nfs/dbraw/zinc/54/57/89/397545789.db2.gz UOCQAXSROSJAJR-OAHLLOKOSA-N 2 2 303.410 0.717 10 0 DCAELP CN(C(=O)c1ccnnc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371121363 397545793 /nfs/dbraw/zinc/54/57/93/397545793.db2.gz UOCQAXSROSJAJR-OAHLLOKOSA-N 2 2 303.410 0.717 10 0 DCAELP CN(C)c1[nH+]cccc1CNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000121671538 158212538 /nfs/dbraw/zinc/21/25/38/158212538.db2.gz QRGFAAGDLBABFO-HNNXBMFYSA-N 2 2 309.414 0.259 10 0 DCAELP C[C@@H](C(=O)N1CC[NH2+][C@H](c2cccnc2)C1)N1CC[NH+](C)CC1 ZINC000328642395 159016911 /nfs/dbraw/zinc/01/69/11/159016911.db2.gz DVDFDMUSWHMCNS-HOCLYGCPSA-N 2 2 317.437 0.190 10 0 DCAELP Cc1[nH+]ccn1-c1cncc(N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000328951622 159046254 /nfs/dbraw/zinc/04/62/54/159046254.db2.gz LSXJUJNDTVBEHI-KBPBESRZSA-N 2 2 314.393 0.880 10 0 DCAELP Cc1[nH+]ccn1-c1cncc(N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC000328951622 159046256 /nfs/dbraw/zinc/04/62/56/159046256.db2.gz LSXJUJNDTVBEHI-KBPBESRZSA-N 2 2 314.393 0.880 10 0 DCAELP C[C@H](O)[C@H]1CCN(c2cc(N3CC[N@@H+]4CCC[C@H]4C3)nc[nH+]2)C1 ZINC000408473106 160115780 /nfs/dbraw/zinc/11/57/80/160115780.db2.gz YWPMZYNRUIODEF-KKUMJFAQSA-N 2 2 317.437 0.968 10 0 DCAELP C[C@H](O)[C@H]1CCN(c2cc(N3CC[N@H+]4CCC[C@H]4C3)nc[nH+]2)C1 ZINC000408473106 160115782 /nfs/dbraw/zinc/11/57/82/160115782.db2.gz YWPMZYNRUIODEF-KKUMJFAQSA-N 2 2 317.437 0.968 10 0 DCAELP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000105148734 415629871 /nfs/dbraw/zinc/62/98/71/415629871.db2.gz XRQNJHGMQGMUDP-UONOGXRCSA-N 2 2 300.447 0.593 10 0 DCAELP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000105148734 415629873 /nfs/dbraw/zinc/62/98/73/415629873.db2.gz XRQNJHGMQGMUDP-UONOGXRCSA-N 2 2 300.447 0.593 10 0 DCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000178335218 416159900 /nfs/dbraw/zinc/15/99/00/416159900.db2.gz IADXLYROIJVUGH-GXTWGEPZSA-N 2 2 321.425 0.249 10 0 DCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000178335218 416159912 /nfs/dbraw/zinc/15/99/12/416159912.db2.gz IADXLYROIJVUGH-GXTWGEPZSA-N 2 2 321.425 0.249 10 0 DCAELP C[NH+](C)CC(=O)N1CCC([N@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000191902637 416291429 /nfs/dbraw/zinc/29/14/29/416291429.db2.gz GQNMJZQMFOYDMQ-UHFFFAOYSA-N 2 2 313.442 0.813 10 0 DCAELP C[NH+](C)CC(=O)N1CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000191902637 416291432 /nfs/dbraw/zinc/29/14/32/416291432.db2.gz GQNMJZQMFOYDMQ-UHFFFAOYSA-N 2 2 313.442 0.813 10 0 DCAELP Cc1[nH+]ccn1-c1cncc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)n1 ZINC000301969460 230012631 /nfs/dbraw/zinc/01/26/31/230012631.db2.gz BRSITHQIBFUYPX-OLZOCXBDSA-N 2 2 300.366 0.490 10 0 DCAELP Cc1[nH+]ccn1-c1cncc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)n1 ZINC000301969460 230012636 /nfs/dbraw/zinc/01/26/36/230012636.db2.gz BRSITHQIBFUYPX-OLZOCXBDSA-N 2 2 300.366 0.490 10 0 DCAELP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@@H]1C ZINC000363546027 262120154 /nfs/dbraw/zinc/12/01/54/262120154.db2.gz NHOXEOIJJLDZEV-IHRRRGAJSA-N 2 2 306.410 0.359 10 0 DCAELP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@@H]1C ZINC000363546027 262120156 /nfs/dbraw/zinc/12/01/56/262120156.db2.gz NHOXEOIJJLDZEV-IHRRRGAJSA-N 2 2 306.410 0.359 10 0 DCAELP C[N@@H+]1CCO[C@@H](C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000081043304 290073738 /nfs/dbraw/zinc/07/37/38/290073738.db2.gz QFOSOWPAOBGUEV-HUUCEWRRSA-N 2 2 311.426 0.030 10 0 DCAELP C[N@H+]1CCO[C@@H](C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000081043304 290073739 /nfs/dbraw/zinc/07/37/39/290073739.db2.gz QFOSOWPAOBGUEV-HUUCEWRRSA-N 2 2 311.426 0.030 10 0 DCAELP [NH3+]C[C@@H]1C[N@H+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CCCO1 ZINC000333768649 295260339 /nfs/dbraw/zinc/26/03/39/295260339.db2.gz DYCIGANTVJXOBM-QLFBSQMISA-N 2 2 311.426 0.206 10 0 DCAELP [NH3+]C[C@@H]1C[N@@H+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CCCO1 ZINC000333768649 295260340 /nfs/dbraw/zinc/26/03/40/295260340.db2.gz DYCIGANTVJXOBM-QLFBSQMISA-N 2 2 311.426 0.206 10 0 DCAELP CC[C@@H](CO)[NH+]1CCN(Cc2[nH+]ccc(OC)c2OC)CC1 ZINC000190606602 522557356 /nfs/dbraw/zinc/55/73/56/522557356.db2.gz MSMZWIOHFJFFTA-ZDUSSCGKSA-N 2 2 309.410 0.987 10 0 DCAELP CC(C)(C)OC(=O)N1CC[NH2+][C@H](c2cnnn2[C@@H]2CC[NH2+]C2)C1 ZINC000685952189 548748793 /nfs/dbraw/zinc/74/87/93/548748793.db2.gz ZVFHWVQVIBETLL-NEPJUHHUSA-N 2 2 322.413 0.694 10 0 DCAELP O=C([C@H]1CCC[NH2+]1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000178774208 661550490 /nfs/dbraw/zinc/55/04/90/661550490.db2.gz VUAGUTQDYBMOMC-CVEARBPZSA-N 2 2 303.406 0.616 10 0 DCAELP CC(C)(C)S(=O)(=O)CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261912187 661820262 /nfs/dbraw/zinc/82/02/62/661820262.db2.gz JEBYAEJUYDFPHF-MJBXVCDLSA-N 2 2 318.483 0.946 10 0 DCAELP O=S(=O)(CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)CC1CC1 ZINC000261964351 661934008 /nfs/dbraw/zinc/93/40/08/661934008.db2.gz PVRNENSPJSUIBL-RBSFLKMASA-N 2 2 316.467 0.558 10 0 DCAELP O=C(NC[C@H]1CCc2[nH+]ccn2C1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897466862 662763112 /nfs/dbraw/zinc/76/31/12/662763112.db2.gz DFWXQLAWGLSRTQ-OCCSQVGLSA-N 2 2 304.394 0.282 10 0 DCAELP CN(C[C@H]1CCc2[nH+]ccn2C1)C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897472657 662769595 /nfs/dbraw/zinc/76/95/95/662769595.db2.gz KUWQZEYSINNUJN-UKRRQHHQSA-N 2 2 318.421 0.625 10 0 DCAELP C[NH+](C)C[C@H]1CN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)CCO1 ZINC000333456587 282137376 /nfs/dbraw/zinc/13/73/76/282137376.db2.gz OQIKROYKSDVTRT-KBPBESRZSA-N 2 2 321.425 0.733 10 0 DCAELP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000176142151 282211855 /nfs/dbraw/zinc/21/18/55/282211855.db2.gz AZYXQZBCXOFEJA-GJZGRUSLSA-N 2 2 321.425 0.696 10 0 DCAELP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000176142151 282211856 /nfs/dbraw/zinc/21/18/56/282211856.db2.gz AZYXQZBCXOFEJA-GJZGRUSLSA-N 2 2 321.425 0.696 10 0 DCAELP O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000261985530 296069033 /nfs/dbraw/zinc/06/90/33/296069033.db2.gz SCVHSLASQOYKJH-VGWMRTNUSA-N 2 2 307.438 0.840 10 0 DCAELP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000189684988 299475616 /nfs/dbraw/zinc/47/56/16/299475616.db2.gz ISVDWVJCEBNWGV-DOTOQJQBSA-N 2 2 319.449 0.684 10 0 DCAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NCC(=O)OC)C1 ZINC000105897338 194162814 /nfs/dbraw/zinc/16/28/14/194162814.db2.gz SPCWPQUGWBHZST-STQMWFEESA-N 2 2 322.409 0.760 10 0 DCAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)NCC(=O)OC)C1 ZINC000105897338 194162816 /nfs/dbraw/zinc/16/28/16/194162816.db2.gz SPCWPQUGWBHZST-STQMWFEESA-N 2 2 322.409 0.760 10 0 DCAELP CC[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000171104514 285231519 /nfs/dbraw/zinc/23/15/19/285231519.db2.gz HMQNIZSJTIWQFS-CQSZACIVSA-N 2 2 312.458 0.881 10 0 DCAELP CC[N@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000171104514 285231520 /nfs/dbraw/zinc/23/15/20/285231520.db2.gz HMQNIZSJTIWQFS-CQSZACIVSA-N 2 2 312.458 0.881 10 0 DCAELP CC[NH+]1CCC[C@@H](NC(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000171104514 285231521 /nfs/dbraw/zinc/23/15/21/285231521.db2.gz HMQNIZSJTIWQFS-CQSZACIVSA-N 2 2 312.458 0.881 10 0 DCAELP CC[NH+]1CCC[C@@H](NC(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000171104514 285231522 /nfs/dbraw/zinc/23/15/22/285231522.db2.gz HMQNIZSJTIWQFS-CQSZACIVSA-N 2 2 312.458 0.881 10 0 DCAELP CCc1ccc(C[N@@H+]2C[C@H]3OCC(=O)N(CC[NH+](C)C)[C@@H]3C2)o1 ZINC000096081567 257135736 /nfs/dbraw/zinc/13/57/36/257135736.db2.gz AZUAJECFIOSRNK-HZPDHXFCSA-N 2 2 321.421 0.815 10 0 DCAELP CCc1ccc(C[N@H+]2C[C@H]3OCC(=O)N(CC[NH+](C)C)[C@@H]3C2)o1 ZINC000096081567 257135737 /nfs/dbraw/zinc/13/57/37/257135737.db2.gz AZUAJECFIOSRNK-HZPDHXFCSA-N 2 2 321.421 0.815 10 0 DCAELP C[C@H](C(=O)NCC[NH+](C)C)[NH+]1CCN(c2ccccc2)CC1 ZINC000096281086 395752383 /nfs/dbraw/zinc/75/23/83/395752383.db2.gz WNSPAAHTRZEPQO-OAHLLOKOSA-N 2 2 304.438 0.875 10 0 DCAELP C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193651069 395775813 /nfs/dbraw/zinc/77/58/13/395775813.db2.gz WSVXXVCRFMEJGN-XQLPTFJDSA-N 2 2 322.453 0.884 10 0 DCAELP C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193651069 395775816 /nfs/dbraw/zinc/77/58/16/395775816.db2.gz WSVXXVCRFMEJGN-XQLPTFJDSA-N 2 2 322.453 0.884 10 0 DCAELP C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193651069 395775820 /nfs/dbraw/zinc/77/58/20/395775820.db2.gz WSVXXVCRFMEJGN-XQLPTFJDSA-N 2 2 322.453 0.884 10 0 DCAELP C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193651069 395775822 /nfs/dbraw/zinc/77/58/22/395775822.db2.gz WSVXXVCRFMEJGN-XQLPTFJDSA-N 2 2 322.453 0.884 10 0 DCAELP Cc1[nH+]c2ccccc2n1CC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000194723388 395805987 /nfs/dbraw/zinc/80/59/87/395805987.db2.gz QWSPCVPJACAASX-CYBMUJFWSA-N 2 2 302.378 0.792 10 0 DCAELP Cc1[nH+]c2ccccc2n1CC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000194723388 395805990 /nfs/dbraw/zinc/80/59/90/395805990.db2.gz QWSPCVPJACAASX-CYBMUJFWSA-N 2 2 302.378 0.792 10 0 DCAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC000195298095 395824029 /nfs/dbraw/zinc/82/40/29/395824029.db2.gz YIQQQFVNJDWCBB-ZDUSSCGKSA-N 2 2 305.382 0.030 10 0 DCAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC000195298095 395824031 /nfs/dbraw/zinc/82/40/31/395824031.db2.gz YIQQQFVNJDWCBB-ZDUSSCGKSA-N 2 2 305.382 0.030 10 0 DCAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC000195298095 395824034 /nfs/dbraw/zinc/82/40/34/395824034.db2.gz YIQQQFVNJDWCBB-ZDUSSCGKSA-N 2 2 305.382 0.030 10 0 DCAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC000195298095 395824037 /nfs/dbraw/zinc/82/40/37/395824037.db2.gz YIQQQFVNJDWCBB-ZDUSSCGKSA-N 2 2 305.382 0.030 10 0 DCAELP Nc1nc(N)nc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000195515789 395830549 /nfs/dbraw/zinc/83/05/49/395830549.db2.gz XYCMATGQTPGGHV-JTQLQIEISA-N 2 2 300.370 0.365 10 0 DCAELP Nc1nc(N)nc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000195515789 395830554 /nfs/dbraw/zinc/83/05/54/395830554.db2.gz XYCMATGQTPGGHV-JTQLQIEISA-N 2 2 300.370 0.365 10 0 DCAELP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000245400626 395928098 /nfs/dbraw/zinc/92/80/98/395928098.db2.gz YKNWZXWNVBQECP-KBPBESRZSA-N 2 2 300.447 0.737 10 0 DCAELP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000245400626 395928099 /nfs/dbraw/zinc/92/80/99/395928099.db2.gz YKNWZXWNVBQECP-KBPBESRZSA-N 2 2 300.447 0.737 10 0 DCAELP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000245624926 395932944 /nfs/dbraw/zinc/93/29/44/395932944.db2.gz ORIJUJODRDMCIC-CVEARBPZSA-N 2 2 322.453 0.368 10 0 DCAELP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000245624926 395932948 /nfs/dbraw/zinc/93/29/48/395932948.db2.gz ORIJUJODRDMCIC-CVEARBPZSA-N 2 2 322.453 0.368 10 0 DCAELP CC[N@@H+]1CCC[C@H](NC(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)C1 ZINC000246055971 395940376 /nfs/dbraw/zinc/94/03/76/395940376.db2.gz AIKLGXVWVISWLU-JYJNAYRXSA-N 2 2 324.469 0.833 10 0 DCAELP CC[N@H+]1CCC[C@H](NC(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)C1 ZINC000246055971 395940381 /nfs/dbraw/zinc/94/03/81/395940381.db2.gz AIKLGXVWVISWLU-JYJNAYRXSA-N 2 2 324.469 0.833 10 0 DCAELP CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H](C)[NH+]2CCOCC2)C1 ZINC000247399420 395972476 /nfs/dbraw/zinc/97/24/76/395972476.db2.gz WYSKORCDPZCOQR-LSDHHAIUSA-N 2 2 312.458 0.690 10 0 DCAELP CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H](C)[NH+]2CCOCC2)C1 ZINC000247399420 395972481 /nfs/dbraw/zinc/97/24/81/395972481.db2.gz WYSKORCDPZCOQR-LSDHHAIUSA-N 2 2 312.458 0.690 10 0 DCAELP C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000247455943 395973885 /nfs/dbraw/zinc/97/38/85/395973885.db2.gz ZXCFBNVCNPIYOB-HZPDHXFCSA-N 2 2 324.469 0.977 10 0 DCAELP C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000247455943 395973887 /nfs/dbraw/zinc/97/38/87/395973887.db2.gz ZXCFBNVCNPIYOB-HZPDHXFCSA-N 2 2 324.469 0.977 10 0 DCAELP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2F)C1 ZINC000261668956 396054731 /nfs/dbraw/zinc/05/47/31/396054731.db2.gz HBEKEDPQLIPISM-LBPRGKRZSA-N 2 2 322.384 0.551 10 0 DCAELP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2F)C1 ZINC000261668956 396054732 /nfs/dbraw/zinc/05/47/32/396054732.db2.gz HBEKEDPQLIPISM-LBPRGKRZSA-N 2 2 322.384 0.551 10 0 DCAELP Cc1nc2cncc(N3CC[NH+](C[C@]4(C)CC[NH2+]C4)CC3)n2n1 ZINC000262106204 396099498 /nfs/dbraw/zinc/09/94/98/396099498.db2.gz VZMRTZPMDXSCIW-MRXNPFEDSA-N 2 2 315.425 0.554 10 0 DCAELP C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)CC1 ZINC000261941861 396081736 /nfs/dbraw/zinc/08/17/36/396081736.db2.gz DULCWVNLZWZORP-GOSISDBHSA-N 3 2 322.497 0.862 10 0 DCAELP O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000261951023 396083381 /nfs/dbraw/zinc/08/33/81/396083381.db2.gz NDDSMXOLMWGIQX-GJZGRUSLSA-N 2 2 305.378 0.180 10 0 DCAELP CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)N1CC[NH+](C2CC2)CC1 ZINC000262547749 396153613 /nfs/dbraw/zinc/15/36/13/396153613.db2.gz RYIPFLAOTKKGSS-CPUCHLNUSA-N 2 2 307.438 0.826 10 0 DCAELP Cc1nn2c(C[NH2+]C[C@@H]3C[NH2+]C[C@H]3O)c(C(C)C)nc2s1 ZINC000263263111 396210099 /nfs/dbraw/zinc/21/00/99/396210099.db2.gz RFQLLCHARGLHTI-ZYHUDNBSSA-N 2 2 309.439 0.893 10 0 DCAELP CS[C@H]1CN(C(=O)c2n[nH]c3c2C[NH2+]CC3)C[C@@H]1[NH+](C)C ZINC000262828268 396185568 /nfs/dbraw/zinc/18/55/68/396185568.db2.gz YZPIDGWTEONBSE-RYUDHWBXSA-N 2 2 309.439 0.173 10 0 DCAELP O=C([C@H]1CCCn2cc[nH+]c21)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178125898 396189304 /nfs/dbraw/zinc/18/93/04/396189304.db2.gz RVFLUJWFEWVLLQ-GJZGRUSLSA-N 2 2 318.421 0.941 10 0 DCAELP Cc1cccc([C@H](CNC(=O)C2C[NH2+]C2)[NH+]2CCOCC2)c1 ZINC000263290565 396211841 /nfs/dbraw/zinc/21/18/41/396211841.db2.gz LJXQITHDSXNATB-INIZCTEOSA-N 2 2 303.406 0.704 10 0 DCAELP C[N@H+](CCN1CC[NH+]([C@H]2CCNC2=O)CC1)Cc1ccccc1 ZINC000178201288 396190927 /nfs/dbraw/zinc/19/09/27/396190927.db2.gz PSCPVQGJZGNJAD-KRWDZBQOSA-N 2 2 316.449 0.625 10 0 DCAELP C[N@@H+](CCN1CC[NH+]([C@H]2CCNC2=O)CC1)Cc1ccccc1 ZINC000178201288 396190930 /nfs/dbraw/zinc/19/09/30/396190930.db2.gz PSCPVQGJZGNJAD-KRWDZBQOSA-N 2 2 316.449 0.625 10 0 DCAELP O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)C1C[NH2+]C1 ZINC000263329213 396214413 /nfs/dbraw/zinc/21/44/13/396214413.db2.gz UKWULZBTPWKZOA-UHFFFAOYSA-N 2 2 319.405 0.233 10 0 DCAELP CC[N@@H+]1CC[C@@H](N(C)C(=O)c2n[nH]c3c2C[NH2+]CC3)[C@H](C)C1 ZINC000188779438 396386384 /nfs/dbraw/zinc/38/63/84/396386384.db2.gz RSZJBRKFJFQFGB-BXUZGUMPSA-N 2 2 305.426 0.858 10 0 DCAELP CC[N@H+]1CC[C@@H](N(C)C(=O)c2n[nH]c3c2C[NH2+]CC3)[C@H](C)C1 ZINC000188779438 396386388 /nfs/dbraw/zinc/38/63/88/396386388.db2.gz RSZJBRKFJFQFGB-BXUZGUMPSA-N 2 2 305.426 0.858 10 0 DCAELP c1nc(N2CC[N@@H+]3CCOC[C@@H]3C2)cc(N2CCCCC2)[nH+]1 ZINC000371807398 396477250 /nfs/dbraw/zinc/47/72/50/396477250.db2.gz AOSKULHNEXUIFF-AWEZNQCLSA-N 2 2 303.410 0.988 10 0 DCAELP c1nc(N2CC[N@H+]3CCOC[C@@H]3C2)cc(N2CCCCC2)[nH+]1 ZINC000371807398 396477251 /nfs/dbraw/zinc/47/72/51/396477251.db2.gz AOSKULHNEXUIFF-AWEZNQCLSA-N 2 2 303.410 0.988 10 0 DCAELP C[N@@H+]1CCCC[C@@H]1CN1CCN(CCC[NH+]2CCOCC2)CC1 ZINC000075718618 158063379 /nfs/dbraw/zinc/06/33/79/158063379.db2.gz SVVVEVBXSMYUSD-GOSISDBHSA-N 2 2 324.513 0.811 10 0 DCAELP C[N@H+]1CCCC[C@@H]1CN1CCN(CCC[NH+]2CCOCC2)CC1 ZINC000075718618 158063380 /nfs/dbraw/zinc/06/33/80/158063380.db2.gz SVVVEVBXSMYUSD-GOSISDBHSA-N 2 2 324.513 0.811 10 0 DCAELP O=C(NCCn1cc[nH+]c1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000080575222 158081183 /nfs/dbraw/zinc/08/11/83/158081183.db2.gz VFEAALAPBNRTNB-OAHLLOKOSA-N 2 2 321.425 0.779 10 0 DCAELP COc1c(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c(C)nn1C ZINC000093664850 158121660 /nfs/dbraw/zinc/12/16/60/158121660.db2.gz DADLHXOQVYVMTL-AWEZNQCLSA-N 2 2 308.426 0.891 10 0 DCAELP COc1c(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c(C)nn1C ZINC000093664850 158121664 /nfs/dbraw/zinc/12/16/64/158121664.db2.gz DADLHXOQVYVMTL-AWEZNQCLSA-N 2 2 308.426 0.891 10 0 DCAELP COC(=O)[C@@H](CC(C)C)NC(=O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113513821 158147292 /nfs/dbraw/zinc/14/72/92/158147292.db2.gz KAMACRXKINGWQF-ZIAGYGMSSA-N 2 2 313.442 0.574 10 0 DCAELP COC(=O)[C@@H](CC(C)C)NC(=O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113513821 158147294 /nfs/dbraw/zinc/14/72/94/158147294.db2.gz KAMACRXKINGWQF-ZIAGYGMSSA-N 2 2 313.442 0.574 10 0 DCAELP C[C@H](CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)[NH+]1CCOCC1 ZINC000113590985 158149356 /nfs/dbraw/zinc/14/93/56/158149356.db2.gz RXIXQGLBOJUZAF-QLFBSQMISA-N 2 2 310.442 0.585 10 0 DCAELP C[C@H](CNC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C)[NH+]1CCOCC1 ZINC000113590985 158149357 /nfs/dbraw/zinc/14/93/57/158149357.db2.gz RXIXQGLBOJUZAF-QLFBSQMISA-N 2 2 310.442 0.585 10 0 DCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCc1ccnn1C ZINC000120196842 158194342 /nfs/dbraw/zinc/19/43/42/158194342.db2.gz FLTZEKBLODMAHQ-UHFFFAOYSA-N 2 2 321.469 0.837 10 0 DCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCc1ccnn1C ZINC000120196842 158194344 /nfs/dbraw/zinc/19/43/44/158194344.db2.gz FLTZEKBLODMAHQ-UHFFFAOYSA-N 2 2 321.469 0.837 10 0 DCAELP O=C(CC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)N1CCOCC1 ZINC000131818406 158305808 /nfs/dbraw/zinc/30/58/08/158305808.db2.gz SULWSZMYPHKZDA-HNNXBMFYSA-N 2 2 305.378 0.784 10 0 DCAELP O=C(CC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)N1CCOCC1 ZINC000131818406 158305810 /nfs/dbraw/zinc/30/58/10/158305810.db2.gz SULWSZMYPHKZDA-HNNXBMFYSA-N 2 2 305.378 0.784 10 0 DCAELP C[NH+]1CCC[C@@H]2CN(C(=O)NC[C@@H]3C[N@H+](C)CCO3)CC[C@H]21 ZINC000138977152 158348064 /nfs/dbraw/zinc/34/80/64/158348064.db2.gz XZXFQROYAMGKIS-RBSFLKMASA-N 2 2 310.442 0.443 10 0 DCAELP C[NH+]1CCC[C@@H]2CN(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)CC[C@H]21 ZINC000138977152 158348066 /nfs/dbraw/zinc/34/80/66/158348066.db2.gz XZXFQROYAMGKIS-RBSFLKMASA-N 2 2 310.442 0.443 10 0 DCAELP C[NH+]1CCO[C@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000138977152 158348069 /nfs/dbraw/zinc/34/80/69/158348069.db2.gz XZXFQROYAMGKIS-RBSFLKMASA-N 2 2 310.442 0.443 10 0 DCAELP C[NH+]1CCO[C@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000138977152 158348070 /nfs/dbraw/zinc/34/80/70/158348070.db2.gz XZXFQROYAMGKIS-RBSFLKMASA-N 2 2 310.442 0.443 10 0 DCAELP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000171750173 158386762 /nfs/dbraw/zinc/38/67/62/158386762.db2.gz HLLFEHPFVFNCQD-HNNXBMFYSA-N 2 2 323.485 0.502 10 0 DCAELP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000171750173 158386763 /nfs/dbraw/zinc/38/67/63/158386763.db2.gz HLLFEHPFVFNCQD-HNNXBMFYSA-N 2 2 323.485 0.502 10 0 DCAELP O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccc2[nH+]ccn2c1 ZINC000172249866 158391759 /nfs/dbraw/zinc/39/17/59/158391759.db2.gz UFZCXYXVLBUPET-AWEZNQCLSA-N 2 2 300.362 0.927 10 0 DCAELP O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1ccc2[nH+]ccn2c1 ZINC000172249866 158391760 /nfs/dbraw/zinc/39/17/60/158391760.db2.gz UFZCXYXVLBUPET-AWEZNQCLSA-N 2 2 300.362 0.927 10 0 DCAELP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCN(C(C)=O)C[C@H]2C)CC1 ZINC000357295993 416058654 /nfs/dbraw/zinc/05/86/54/416058654.db2.gz DKDLRTLHHWDMEB-CYBMUJFWSA-N 2 2 310.442 0.140 10 0 DCAELP CC[NH+]1CCC(NC(=O)C[N@H+]2CCN(C(C)=O)C[C@H]2C)CC1 ZINC000357295993 416058659 /nfs/dbraw/zinc/05/86/59/416058659.db2.gz DKDLRTLHHWDMEB-CYBMUJFWSA-N 2 2 310.442 0.140 10 0 DCAELP O=C(NCCCn1cc[nH+]c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173780456 416066482 /nfs/dbraw/zinc/06/64/82/416066482.db2.gz VUEZCRLSMNFHQM-AWEZNQCLSA-N 2 2 307.398 0.389 10 0 DCAELP CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000174233546 416075844 /nfs/dbraw/zinc/07/58/44/416075844.db2.gz SOCWOQSNIISGST-JKSUJKDBSA-N 2 2 324.469 0.977 10 0 DCAELP CC[NH+](CC)CC(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000174743343 416086398 /nfs/dbraw/zinc/08/63/98/416086398.db2.gz HCOVHSCVUBJTQO-CYBMUJFWSA-N 2 2 320.441 0.945 10 0 DCAELP CC[NH+](CC)CC(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000174743343 416086400 /nfs/dbraw/zinc/08/64/00/416086400.db2.gz HCOVHSCVUBJTQO-CYBMUJFWSA-N 2 2 320.441 0.945 10 0 DCAELP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C[C@H]1CC ZINC000174919310 416089806 /nfs/dbraw/zinc/08/98/06/416089806.db2.gz NAQCUYIQFVVFDE-CABCVRRESA-N 2 2 313.442 0.276 10 0 DCAELP CCOCC[N@H+]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C[C@H]1CC ZINC000174919310 416089809 /nfs/dbraw/zinc/08/98/09/416089809.db2.gz NAQCUYIQFVVFDE-CABCVRRESA-N 2 2 313.442 0.276 10 0 DCAELP CCOCC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1CC ZINC000174919310 416089813 /nfs/dbraw/zinc/08/98/13/416089813.db2.gz NAQCUYIQFVVFDE-CABCVRRESA-N 2 2 313.442 0.276 10 0 DCAELP CCOCC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1CC ZINC000174919310 416089815 /nfs/dbraw/zinc/08/98/15/416089815.db2.gz NAQCUYIQFVVFDE-CABCVRRESA-N 2 2 313.442 0.276 10 0 DCAELP CN(CCCO)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000441882505 416683177 /nfs/dbraw/zinc/68/31/77/416683177.db2.gz KSMVWWVZZXLEAO-UHFFFAOYSA-N 2 2 312.458 0.569 10 0 DCAELP CC[N@H+](CC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1)C1CC1 ZINC000276512207 279051142 /nfs/dbraw/zinc/05/11/42/279051142.db2.gz CLVONTWNWDCYLS-AWEZNQCLSA-N 2 2 305.426 0.720 10 0 DCAELP CC[N@@H+](CC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1)C1CC1 ZINC000276512207 279051143 /nfs/dbraw/zinc/05/11/43/279051143.db2.gz CLVONTWNWDCYLS-AWEZNQCLSA-N 2 2 305.426 0.720 10 0 DCAELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000245412530 279298353 /nfs/dbraw/zinc/29/83/53/279298353.db2.gz AARUQTCDOWLKIP-LSDHHAIUSA-N 2 2 312.458 0.833 10 0 DCAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000245412530 279298354 /nfs/dbraw/zinc/29/83/54/279298354.db2.gz AARUQTCDOWLKIP-LSDHHAIUSA-N 2 2 312.458 0.833 10 0 DCAELP COC[C@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)C1CCOCC1 ZINC000188044542 293152053 /nfs/dbraw/zinc/15/20/53/293152053.db2.gz JJQDHHATXOFEFU-HOCLYGCPSA-N 2 2 300.443 0.986 10 0 DCAELP C[C@H](NC(=O)C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1)C(=O)N1CCCCC1 ZINC000261737402 299055883 /nfs/dbraw/zinc/05/58/83/299055883.db2.gz OUOXTLQOZSMVRW-KBPBESRZSA-N 2 2 324.469 0.563 10 0 DCAELP C[C@H](NC(=O)C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1)C(=O)N1CCCCC1 ZINC000261737402 299055885 /nfs/dbraw/zinc/05/58/85/299055885.db2.gz OUOXTLQOZSMVRW-KBPBESRZSA-N 2 2 324.469 0.563 10 0 DCAELP CC(=O)CC[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000158723803 519418487 /nfs/dbraw/zinc/41/84/87/519418487.db2.gz IOISDQMMXSPLRQ-UHFFFAOYSA-N 2 2 319.409 0.414 10 0 DCAELP CCc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000158331603 522580405 /nfs/dbraw/zinc/58/04/05/522580405.db2.gz JQVSLESTHIDIND-CQSZACIVSA-N 2 2 308.426 0.919 10 0 DCAELP CCc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000158331603 522580407 /nfs/dbraw/zinc/58/04/07/522580407.db2.gz JQVSLESTHIDIND-CQSZACIVSA-N 2 2 308.426 0.919 10 0 DCAELP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000247692969 522928416 /nfs/dbraw/zinc/92/84/16/522928416.db2.gz WEVVHLBGKAWGLF-CABCVRRESA-N 2 2 324.469 0.517 10 0 DCAELP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000247692969 522928428 /nfs/dbraw/zinc/92/84/28/522928428.db2.gz WEVVHLBGKAWGLF-CABCVRRESA-N 2 2 324.469 0.517 10 0 DCAELP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000247692969 522928433 /nfs/dbraw/zinc/92/84/33/522928433.db2.gz WEVVHLBGKAWGLF-CABCVRRESA-N 2 2 324.469 0.517 10 0 DCAELP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000247692969 522928439 /nfs/dbraw/zinc/92/84/39/522928439.db2.gz WEVVHLBGKAWGLF-CABCVRRESA-N 2 2 324.469 0.517 10 0 DCAELP CCOc1c(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c(C)nn1CC(C)C ZINC000262087878 545978657 /nfs/dbraw/zinc/97/86/57/545978657.db2.gz GJPTWFNIWQHKGV-DZGCQCFKSA-N 2 2 310.442 0.916 10 0 DCAELP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000333863909 546094989 /nfs/dbraw/zinc/09/49/89/546094989.db2.gz SQPCSPDENJVRBN-MJBXVCDLSA-N 2 2 320.441 0.559 10 0 DCAELP COC(=O)[C@H]1CC(=O)N(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)C1 ZINC000248414389 685174595 /nfs/dbraw/zinc/17/45/95/685174595.db2.gz GWSIHNABTMDCLU-UONOGXRCSA-N 2 2 320.393 0.635 10 0 DCAELP COC(=O)[C@H]1CC(=O)N(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)C1 ZINC000248414389 685174599 /nfs/dbraw/zinc/17/45/99/685174599.db2.gz GWSIHNABTMDCLU-UONOGXRCSA-N 2 2 320.393 0.635 10 0 DCAELP CC[C@H](C(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1)[NH+](C)C ZINC000328628224 529599560 /nfs/dbraw/zinc/59/95/60/529599560.db2.gz GZTVDDVGRIAQRR-VXGBXAGGSA-N 2 2 300.403 0.021 10 0 DCAELP CC[C@H](C(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1)[NH+](C)C ZINC000328628224 529599565 /nfs/dbraw/zinc/59/95/65/529599565.db2.gz GZTVDDVGRIAQRR-VXGBXAGGSA-N 2 2 300.403 0.021 10 0 DCAELP CC[C@H](NC(=O)C1CC[NH+](CC(N)=O)CC1)c1[nH]cc(C)[nH+]1 ZINC000091931698 193128058 /nfs/dbraw/zinc/12/80/58/193128058.db2.gz HEFFWJOYYSHSFR-LBPRGKRZSA-N 2 2 307.398 0.483 10 0 DCAELP C[C@@H](CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000105124408 194076513 /nfs/dbraw/zinc/07/65/13/194076513.db2.gz HCQBEGCDQODJMC-LSDHHAIUSA-N 2 2 310.442 0.587 10 0 DCAELP C[C@@H](CNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000105124408 194076515 /nfs/dbraw/zinc/07/65/15/194076515.db2.gz HCQBEGCDQODJMC-LSDHHAIUSA-N 2 2 310.442 0.587 10 0 DCAELP C[N@H+](CCN1CCCC1=O)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863476 194149504 /nfs/dbraw/zinc/14/95/04/194149504.db2.gz DPNBGKUBNKTNSB-UHFFFAOYSA-N 2 2 319.453 0.902 10 0 DCAELP C[N@@H+](CCN1CCCC1=O)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863476 194149506 /nfs/dbraw/zinc/14/95/06/194149506.db2.gz DPNBGKUBNKTNSB-UHFFFAOYSA-N 2 2 319.453 0.902 10 0 DCAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N2CCNC2=O)C1 ZINC000105896622 194161434 /nfs/dbraw/zinc/16/14/34/194161434.db2.gz YXWCRXDDKFAQOX-LBPRGKRZSA-N 2 2 305.382 0.634 10 0 DCAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N2CCNC2=O)C1 ZINC000105896622 194161435 /nfs/dbraw/zinc/16/14/35/194161435.db2.gz YXWCRXDDKFAQOX-LBPRGKRZSA-N 2 2 305.382 0.634 10 0 DCAELP C[C@H](CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)[NH+]1CCOCC1 ZINC000245886764 395937780 /nfs/dbraw/zinc/93/77/80/395937780.db2.gz BRGSSOHJAMFKBA-OWCLPIDISA-N 2 2 324.469 0.833 10 0 DCAELP C[C@H](CNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21)[NH+]1CCOCC1 ZINC000245886764 395937782 /nfs/dbraw/zinc/93/77/82/395937782.db2.gz BRGSSOHJAMFKBA-OWCLPIDISA-N 2 2 324.469 0.833 10 0 DCAELP C[C@H]1CC[N@H+](Cc2nc(N)nc(N(C)C)n2)C[C@H]1n1cc[nH+]c1 ZINC000247779299 395978608 /nfs/dbraw/zinc/97/86/08/395978608.db2.gz XHNMYSNMNCDQOS-NWDGAFQWSA-N 2 2 316.413 0.799 10 0 DCAELP C[C@H]1CC[N@@H+](Cc2nc(N)nc(N(C)C)n2)C[C@H]1n1cc[nH+]c1 ZINC000247779299 395978610 /nfs/dbraw/zinc/97/86/10/395978610.db2.gz XHNMYSNMNCDQOS-NWDGAFQWSA-N 2 2 316.413 0.799 10 0 DCAELP [NH3+][C@@H](C(=O)NC1CCN(c2cccc[nH+]2)CC1)C1CCOCC1 ZINC000261868494 396074294 /nfs/dbraw/zinc/07/42/94/396074294.db2.gz SUJXDMKWIGIDTK-MRXNPFEDSA-N 2 2 318.421 0.921 10 0 DCAELP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CCOCC1 ZINC000261919478 396079212 /nfs/dbraw/zinc/07/92/12/396079212.db2.gz KBKXSRIZXMWLFF-BZUAXINKSA-N 3 2 311.470 0.844 10 0 DCAELP Cc1nn(C)c(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c1Br ZINC000263306171 396212833 /nfs/dbraw/zinc/21/28/33/396212833.db2.gz XYJLOQZJLGIOSZ-SCZZXKLOSA-N 2 2 303.204 0.161 10 0 DCAELP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000262669801 396170917 /nfs/dbraw/zinc/17/09/17/396170917.db2.gz MSQADMZXUVHZQY-RDBSUJKOSA-N 2 2 322.453 0.315 10 0 DCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263025961 396198387 /nfs/dbraw/zinc/19/83/87/396198387.db2.gz RKHZBIIHDLJOHZ-NEPJUHHUSA-N 2 2 305.369 0.457 10 0 DCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263025961 396198393 /nfs/dbraw/zinc/19/83/93/396198393.db2.gz RKHZBIIHDLJOHZ-NEPJUHHUSA-N 2 2 305.369 0.457 10 0 DCAELP C[C@@H]1CN(c2ccc(CNC(=O)C3C[NH2+]C3)c[nH+]2)C[C@H](C)O1 ZINC000263305092 396212709 /nfs/dbraw/zinc/21/27/09/396212709.db2.gz OEGMJTMWPIWUKW-TXEJJXNPSA-N 2 2 304.394 0.531 10 0 DCAELP CNC(=O)CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000187329169 396367486 /nfs/dbraw/zinc/36/74/86/396367486.db2.gz FIUGKOFMEFCROM-UHFFFAOYSA-N 2 2 310.442 0.189 10 0 DCAELP CC[N@@H+]1CC[C@H](N(C)C(=O)c2n[nH]c3c2C[NH2+]CC3)[C@H](C)C1 ZINC000188779412 396386817 /nfs/dbraw/zinc/38/68/17/396386817.db2.gz RSZJBRKFJFQFGB-RISCZKNCSA-N 2 2 305.426 0.858 10 0 DCAELP CC[N@H+]1CC[C@H](N(C)C(=O)c2n[nH]c3c2C[NH2+]CC3)[C@H](C)C1 ZINC000188779412 396386818 /nfs/dbraw/zinc/38/68/18/396386818.db2.gz RSZJBRKFJFQFGB-RISCZKNCSA-N 2 2 305.426 0.858 10 0 DCAELP Cn1nccc1[C@@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000369713000 397444185 /nfs/dbraw/zinc/44/41/85/397444185.db2.gz RXLGSHFFRIIPLZ-HNNXBMFYSA-N 2 2 305.426 0.721 10 0 DCAELP Cn1nccc1[C@@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000369713000 397444192 /nfs/dbraw/zinc/44/41/92/397444192.db2.gz RXLGSHFFRIIPLZ-HNNXBMFYSA-N 2 2 305.426 0.721 10 0 DCAELP C[N@@H+]1CCCC[C@H]1CN1CCN(CCC[NH+]2CCOCC2)CC1 ZINC000075718619 158063253 /nfs/dbraw/zinc/06/32/53/158063253.db2.gz SVVVEVBXSMYUSD-SFHVURJKSA-N 2 2 324.513 0.811 10 0 DCAELP C[N@H+]1CCCC[C@H]1CN1CCN(CCC[NH+]2CCOCC2)CC1 ZINC000075718619 158063255 /nfs/dbraw/zinc/06/32/55/158063255.db2.gz SVVVEVBXSMYUSD-SFHVURJKSA-N 2 2 324.513 0.811 10 0 DCAELP COC(=O)CC[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000105915257 158132293 /nfs/dbraw/zinc/13/22/93/158132293.db2.gz VSCJSMBOSOZMHB-OAHLLOKOSA-N 2 2 313.442 0.276 10 0 DCAELP COC(=O)CC[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000105915257 158132294 /nfs/dbraw/zinc/13/22/94/158132294.db2.gz VSCJSMBOSOZMHB-OAHLLOKOSA-N 2 2 313.442 0.276 10 0 DCAELP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171907913 158388643 /nfs/dbraw/zinc/38/86/43/158388643.db2.gz ZAIUQPGQNXJTGP-HUUCEWRRSA-N 2 2 309.458 0.112 10 0 DCAELP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171907913 158388645 /nfs/dbraw/zinc/38/86/45/158388645.db2.gz ZAIUQPGQNXJTGP-HUUCEWRRSA-N 2 2 309.458 0.112 10 0 DCAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000172259784 158393378 /nfs/dbraw/zinc/39/33/78/158393378.db2.gz JVMBEQMNOSUQIG-HUUCEWRRSA-N 2 2 324.469 0.975 10 0 DCAELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000172259784 158393379 /nfs/dbraw/zinc/39/33/79/158393379.db2.gz JVMBEQMNOSUQIG-HUUCEWRRSA-N 2 2 324.469 0.975 10 0 DCAELP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000172259784 158393380 /nfs/dbraw/zinc/39/33/80/158393380.db2.gz JVMBEQMNOSUQIG-HUUCEWRRSA-N 2 2 324.469 0.975 10 0 DCAELP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000172259784 158393381 /nfs/dbraw/zinc/39/33/81/158393381.db2.gz JVMBEQMNOSUQIG-HUUCEWRRSA-N 2 2 324.469 0.975 10 0 DCAELP CC(=O)N[C@@H]1CCC[NH+](CCC[N@H+]2CCC[C@@H](NC(C)=O)C2)C1 ZINC000246827773 287088430 /nfs/dbraw/zinc/08/84/30/287088430.db2.gz BOVXNSRUAFPPHY-IAGOWNOFSA-N 2 2 324.469 0.578 10 0 DCAELP CC(=O)N[C@@H]1CCC[NH+](CCC[N@@H+]2CCC[C@@H](NC(C)=O)C2)C1 ZINC000246827773 287088432 /nfs/dbraw/zinc/08/84/32/287088432.db2.gz BOVXNSRUAFPPHY-IAGOWNOFSA-N 2 2 324.469 0.578 10 0 DCAELP C[C@@H](CNC(=O)NCCCNc1cccc[nH+]1)[NH+]1CCOCC1 ZINC000046261520 415259625 /nfs/dbraw/zinc/25/96/25/415259625.db2.gz FJVAUXMUARKGQE-AWEZNQCLSA-N 2 2 321.425 0.904 10 0 DCAELP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)CCO)C1 ZINC000095380205 415559605 /nfs/dbraw/zinc/55/96/05/415559605.db2.gz OWQOHQJBTJSQLD-CQSZACIVSA-N 2 2 308.426 0.923 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3nnc[nH]3)C2)CC1 ZINC000333300000 415604464 /nfs/dbraw/zinc/60/44/64/415604464.db2.gz MDKRXPMXLRPOHI-UONOGXRCSA-N 2 2 320.441 0.537 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](c3nnc[nH]3)C2)CC1 ZINC000333300000 415604465 /nfs/dbraw/zinc/60/44/65/415604465.db2.gz MDKRXPMXLRPOHI-UONOGXRCSA-N 2 2 320.441 0.537 10 0 DCAELP OC[C@H]1CCCN1c1cc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)nc[nH+]1 ZINC000333576365 415687057 /nfs/dbraw/zinc/68/70/57/415687057.db2.gz SUDYUFCWUHZOEN-HZSPNIEDSA-N 2 2 303.410 0.768 10 0 DCAELP C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000333817373 415745997 /nfs/dbraw/zinc/74/59/97/415745997.db2.gz KIABCYULEQWBCU-HZPDHXFCSA-N 2 2 324.469 0.881 10 0 DCAELP C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000333817373 415746004 /nfs/dbraw/zinc/74/60/04/415746004.db2.gz KIABCYULEQWBCU-HZPDHXFCSA-N 2 2 324.469 0.881 10 0 DCAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N2CCC[C@H](C(N)=O)C2)CC[N@@H+]1C ZINC000123725740 415842823 /nfs/dbraw/zinc/84/28/23/415842823.db2.gz SKDCLVLCEZEELB-RDBSUJKOSA-N 2 2 310.442 0.125 10 0 DCAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N2CCC[C@H](C(N)=O)C2)CC[N@H+]1C ZINC000123725740 415842828 /nfs/dbraw/zinc/84/28/28/415842828.db2.gz SKDCLVLCEZEELB-RDBSUJKOSA-N 2 2 310.442 0.125 10 0 DCAELP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)N2CCC[C@H](C(N)=O)C2)CC[NH+]1C ZINC000123725740 415842832 /nfs/dbraw/zinc/84/28/32/415842832.db2.gz SKDCLVLCEZEELB-RDBSUJKOSA-N 2 2 310.442 0.125 10 0 DCAELP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)N2CCC[C@H](C(N)=O)C2)CC[NH+]1C ZINC000123725740 415842839 /nfs/dbraw/zinc/84/28/39/415842839.db2.gz SKDCLVLCEZEELB-RDBSUJKOSA-N 2 2 310.442 0.125 10 0 DCAELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+]1CCOCC1 ZINC000174609878 416081768 /nfs/dbraw/zinc/08/17/68/416081768.db2.gz MAUUDJLJCUVNBM-HUUCEWRRSA-N 2 2 310.442 0.587 10 0 DCAELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+]1CCOCC1 ZINC000174609878 416081770 /nfs/dbraw/zinc/08/17/70/416081770.db2.gz MAUUDJLJCUVNBM-HUUCEWRRSA-N 2 2 310.442 0.587 10 0 DCAELP CC(C)CNC(=O)C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000174891896 416090550 /nfs/dbraw/zinc/09/05/50/416090550.db2.gz FWNXOFFENTYOPB-MRXNPFEDSA-N 2 2 310.486 0.861 10 0 DCAELP CC(C)CNC(=O)C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000174891896 416090553 /nfs/dbraw/zinc/09/05/53/416090553.db2.gz FWNXOFFENTYOPB-MRXNPFEDSA-N 2 2 310.486 0.861 10 0 DCAELP C[C@@H](CNC(=O)[C@H]1CCCn2cc[nH+]c21)C[NH+]1CCN(C)CC1 ZINC000176298989 416124574 /nfs/dbraw/zinc/12/45/74/416124574.db2.gz CWKJCDGZIONOBB-GJZGRUSLSA-N 2 2 319.453 0.760 10 0 DCAELP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000179283122 416184739 /nfs/dbraw/zinc/18/47/39/416184739.db2.gz KIXJWKBOANCUBP-INIZCTEOSA-N 3 2 323.485 0.502 10 0 DCAELP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000179283122 416184741 /nfs/dbraw/zinc/18/47/41/416184741.db2.gz KIXJWKBOANCUBP-INIZCTEOSA-N 3 2 323.485 0.502 10 0 DCAELP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000261834298 416335862 /nfs/dbraw/zinc/33/58/62/416335862.db2.gz BVKSIVKDOLJADX-ZIAGYGMSSA-N 2 2 310.442 0.140 10 0 DCAELP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000261834298 416335863 /nfs/dbraw/zinc/33/58/63/416335863.db2.gz BVKSIVKDOLJADX-ZIAGYGMSSA-N 2 2 310.442 0.140 10 0 DCAELP CO[C@@H](C)c1noc(C[N@H+](C)CCC(=O)N2CC[NH2+]CC2)n1 ZINC000262275481 416336411 /nfs/dbraw/zinc/33/64/11/416336411.db2.gz YTVRBLFGSSHNKH-NSHDSACASA-N 2 2 311.386 0.031 10 0 DCAELP CO[C@@H](C)c1noc(C[N@@H+](C)CCC(=O)N2CC[NH2+]CC2)n1 ZINC000262275481 416336412 /nfs/dbraw/zinc/33/64/12/416336412.db2.gz YTVRBLFGSSHNKH-NSHDSACASA-N 2 2 311.386 0.031 10 0 DCAELP CCN(CCC[NH+](C)C)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000188612613 261129944 /nfs/dbraw/zinc/12/99/44/261129944.db2.gz RBVWHIZAVKTJMR-AWEZNQCLSA-N 2 2 300.447 0.690 10 0 DCAELP O[C@@H](C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)Cn1ccnn1 ZINC000459691290 272004156 /nfs/dbraw/zinc/00/41/56/272004156.db2.gz GGNJJONEYHCJQI-SJORKVTESA-N 2 2 315.421 0.893 10 0 DCAELP O[C@@H](C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)Cn1ccnn1 ZINC000459691290 272004159 /nfs/dbraw/zinc/00/41/59/272004159.db2.gz GGNJJONEYHCJQI-SJORKVTESA-N 2 2 315.421 0.893 10 0 DCAELP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000333648657 278184410 /nfs/dbraw/zinc/18/44/10/278184410.db2.gz JLUCKYKSOSQYBR-SUMWQHHRSA-N 2 2 322.453 0.187 10 0 DCAELP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000333648657 278184413 /nfs/dbraw/zinc/18/44/13/278184413.db2.gz JLUCKYKSOSQYBR-SUMWQHHRSA-N 2 2 322.453 0.187 10 0 DCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000275445366 278193661 /nfs/dbraw/zinc/19/36/61/278193661.db2.gz WBVBMZRIXWMYAU-ZIAGYGMSSA-N 2 2 321.425 0.465 10 0 DCAELP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[C@@H]3OCC[N@@H+](C)[C@@H]3C1)C2 ZINC000329748301 279162601 /nfs/dbraw/zinc/16/26/01/279162601.db2.gz ZXCWJGIHPSYZMJ-IMJJTQAJSA-N 2 2 318.421 0.685 10 0 DCAELP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[C@@H]3OCC[N@H+](C)[C@@H]3C1)C2 ZINC000329748301 279162603 /nfs/dbraw/zinc/16/26/03/279162603.db2.gz ZXCWJGIHPSYZMJ-IMJJTQAJSA-N 2 2 318.421 0.685 10 0 DCAELP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000119441850 279374974 /nfs/dbraw/zinc/37/49/74/279374974.db2.gz ORIJUJODRDMCIC-HZPDHXFCSA-N 2 2 322.453 0.368 10 0 DCAELP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000119441850 279374975 /nfs/dbraw/zinc/37/49/75/279374975.db2.gz ORIJUJODRDMCIC-HZPDHXFCSA-N 2 2 322.453 0.368 10 0 DCAELP CN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000580309585 333093803 /nfs/dbraw/zinc/09/38/03/333093803.db2.gz SAPXRWRJZYIJKO-UHFFFAOYSA-N 2 2 303.366 0.683 10 0 DCAELP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1c[nH+]ccc1N(C)C ZINC000183564138 524620753 /nfs/dbraw/zinc/62/07/53/524620753.db2.gz PQELVALQUMVFEQ-ZDUSSCGKSA-N 2 2 305.426 0.513 10 0 DCAELP C[C@H](CC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000248044702 526231204 /nfs/dbraw/zinc/23/12/04/526231204.db2.gz URTBPNBUKZVNPX-OWCLPIDISA-N 2 2 309.454 0.945 10 0 DCAELP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000332885881 546065293 /nfs/dbraw/zinc/06/52/93/546065293.db2.gz GQPZZTUAWNURNF-UONOGXRCSA-N 2 2 307.398 0.388 10 0 DCAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCC(C(N)=O)CC2)[C@@H](C)C1 ZINC000246460695 1183097806 /nfs/dbraw/zinc/09/78/06/1183097806.db2.gz GAWYZUXLPKODCN-DZGCQCFKSA-N 2 2 324.469 0.372 10 0 DCAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCC(C(N)=O)CC2)[C@@H](C)C1 ZINC000246460695 1183097812 /nfs/dbraw/zinc/09/78/12/1183097812.db2.gz GAWYZUXLPKODCN-DZGCQCFKSA-N 2 2 324.469 0.372 10 0 DCAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N2CCC(C(N)=O)CC2)[C@@H](C)C1 ZINC000246460695 1183097816 /nfs/dbraw/zinc/09/78/16/1183097816.db2.gz GAWYZUXLPKODCN-DZGCQCFKSA-N 2 2 324.469 0.372 10 0 DCAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N2CCC(C(N)=O)CC2)[C@@H](C)C1 ZINC000246460695 1183097822 /nfs/dbraw/zinc/09/78/22/1183097822.db2.gz GAWYZUXLPKODCN-DZGCQCFKSA-N 2 2 324.469 0.372 10 0 DCAELP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000174658855 198366582 /nfs/dbraw/zinc/36/65/82/198366582.db2.gz LFGOEGOWHVJFFX-UONOGXRCSA-N 2 2 306.410 0.940 10 0 DCAELP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000174658855 198366584 /nfs/dbraw/zinc/36/65/84/198366584.db2.gz LFGOEGOWHVJFFX-UONOGXRCSA-N 2 2 306.410 0.940 10 0 DCAELP O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000237975124 284521199 /nfs/dbraw/zinc/52/11/99/284521199.db2.gz SCVHSLASQOYKJH-FZKCQIBNSA-N 2 2 307.438 0.840 10 0 DCAELP C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000105279320 194093586 /nfs/dbraw/zinc/09/35/86/194093586.db2.gz YNUZUJYKVIPKPQ-HZPDHXFCSA-N 2 2 324.469 0.977 10 0 DCAELP C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000105279320 194093587 /nfs/dbraw/zinc/09/35/87/194093587.db2.gz YNUZUJYKVIPKPQ-HZPDHXFCSA-N 2 2 324.469 0.977 10 0 DCAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000105896805 194161429 /nfs/dbraw/zinc/16/14/29/194161429.db2.gz ULQABNKSVSOSDR-CYBMUJFWSA-N 2 2 319.409 0.041 10 0 DCAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000105896805 194161431 /nfs/dbraw/zinc/16/14/31/194161431.db2.gz ULQABNKSVSOSDR-CYBMUJFWSA-N 2 2 319.409 0.041 10 0 DCAELP CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000105896288 194163310 /nfs/dbraw/zinc/16/33/10/194163310.db2.gz OINWTTBWTQLGEI-LBPRGKRZSA-N 2 2 307.398 0.928 10 0 DCAELP CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000105896288 194163312 /nfs/dbraw/zinc/16/33/12/194163312.db2.gz OINWTTBWTQLGEI-LBPRGKRZSA-N 2 2 307.398 0.928 10 0 DCAELP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000283828753 131027226 /nfs/dbraw/zinc/02/72/26/131027226.db2.gz FARPWTNWZKJYRT-RDBSUJKOSA-N 2 2 307.398 0.386 10 0 DCAELP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000283828753 131027227 /nfs/dbraw/zinc/02/72/27/131027227.db2.gz FARPWTNWZKJYRT-RDBSUJKOSA-N 2 2 307.398 0.386 10 0 DCAELP CO[C@@H]1CC[C@@H]2OCC[N@H+](CC(=O)N3CC[NH+](C)CC3)[C@@H]2C1 ZINC000245549204 395931966 /nfs/dbraw/zinc/93/19/66/395931966.db2.gz ZCIJUNJYDOZMKA-KFWWJZLASA-N 2 2 311.426 0.029 10 0 DCAELP CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC(=O)N3CC[NH+](C)CC3)[C@@H]2C1 ZINC000245549204 395931971 /nfs/dbraw/zinc/93/19/71/395931971.db2.gz ZCIJUNJYDOZMKA-KFWWJZLASA-N 2 2 311.426 0.029 10 0 DCAELP Cc1cc(NC(=O)CN2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)no1 ZINC000261746079 396062079 /nfs/dbraw/zinc/06/20/79/396062079.db2.gz JAQAYMPBUXNKON-INIZCTEOSA-N 2 2 321.425 0.539 10 0 DCAELP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263257043 396209121 /nfs/dbraw/zinc/20/91/21/396209121.db2.gz QOTDZKKFBYTHRC-LBPRGKRZSA-N 2 2 319.396 0.800 10 0 DCAELP Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000263297848 396212941 /nfs/dbraw/zinc/21/29/41/396212941.db2.gz WQGKCOKTVZRMRG-ONGXEEELSA-N 2 2 322.331 0.340 10 0 DCAELP CS[C@@H]1CN(C(=O)c2n[nH]c3c2C[NH2+]CC3)C[C@H]1[NH+](C)C ZINC000262828270 396185639 /nfs/dbraw/zinc/18/56/39/396185639.db2.gz YZPIDGWTEONBSE-VXGBXAGGSA-N 2 2 309.439 0.173 10 0 DCAELP Cn1cc[nH+]c1CC[C@H]1CCCC[N@@H+]1CC(=O)N1CC[NH2+]CC1 ZINC000077471844 396223966 /nfs/dbraw/zinc/22/39/66/396223966.db2.gz WIJHSWCDYISNLM-OAHLLOKOSA-N 3 2 319.453 0.639 10 0 DCAELP Cn1cc[nH+]c1CC[C@H]1CCCC[N@H+]1CC(=O)N1CC[NH2+]CC1 ZINC000077471844 396223970 /nfs/dbraw/zinc/22/39/70/396223970.db2.gz WIJHSWCDYISNLM-OAHLLOKOSA-N 3 2 319.453 0.639 10 0 DCAELP O=C([C@H]1C[C@H](F)C[NH2+]1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000188761841 396386038 /nfs/dbraw/zinc/38/60/38/396386038.db2.gz NMRCIHWQIPQCFP-XHSDSOJGSA-N 2 2 321.396 0.564 10 0 DCAELP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000603594322 397617728 /nfs/dbraw/zinc/61/77/28/397617728.db2.gz PLQDHEVGTNDWEX-CYBMUJFWSA-N 2 2 306.414 0.331 10 0 DCAELP C[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000603594322 397617730 /nfs/dbraw/zinc/61/77/30/397617730.db2.gz PLQDHEVGTNDWEX-CYBMUJFWSA-N 2 2 306.414 0.331 10 0 DCAELP C[NH+](C)CC[C@H](NC(=O)NC[C@H]1C[N@H+](C)CCO1)C(C)(C)C ZINC000116429759 158165665 /nfs/dbraw/zinc/16/56/65/158165665.db2.gz FEGRBZXSWHTULO-KBPBESRZSA-N 2 2 314.474 0.983 10 0 DCAELP C[NH+](C)CC[C@H](NC(=O)NC[C@H]1C[N@@H+](C)CCO1)C(C)(C)C ZINC000116429759 158165667 /nfs/dbraw/zinc/16/56/67/158165667.db2.gz FEGRBZXSWHTULO-KBPBESRZSA-N 2 2 314.474 0.983 10 0 DCAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3ccnn3C)CC2)C1 ZINC000121059471 158207056 /nfs/dbraw/zinc/20/70/56/158207056.db2.gz LQPGUPXCOZFQLG-QGZVFWFLSA-N 2 2 321.469 0.647 10 0 DCAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](Cc3ccnn3C)CC2)C1 ZINC000121059471 158207059 /nfs/dbraw/zinc/20/70/59/158207059.db2.gz LQPGUPXCOZFQLG-QGZVFWFLSA-N 2 2 321.469 0.647 10 0 DCAELP C[NH+](C)CCN(C(=O)NC[C@H]1C[N@H+](C)CCO1)C1CCCC1 ZINC000125030415 158250786 /nfs/dbraw/zinc/25/07/86/158250786.db2.gz UHLVEVGNHOHKDE-HNNXBMFYSA-N 2 2 312.458 0.833 10 0 DCAELP C[NH+](C)CCN(C(=O)NC[C@H]1C[N@@H+](C)CCO1)C1CCCC1 ZINC000125030415 158250788 /nfs/dbraw/zinc/25/07/88/158250788.db2.gz UHLVEVGNHOHKDE-HNNXBMFYSA-N 2 2 312.458 0.833 10 0 DCAELP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000328723007 159024200 /nfs/dbraw/zinc/02/42/00/159024200.db2.gz SFCWNHPBZIIHCF-GDBMZVCRSA-N 2 2 318.421 0.523 10 0 DCAELP C[C@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000329083962 159060533 /nfs/dbraw/zinc/06/05/33/159060533.db2.gz FMDNWSJENLCWCY-UONOGXRCSA-N 2 2 322.453 0.980 10 0 DCAELP C[C@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000329083962 159060535 /nfs/dbraw/zinc/06/05/35/159060535.db2.gz FMDNWSJENLCWCY-UONOGXRCSA-N 2 2 322.453 0.980 10 0 DCAELP C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000105282407 415630860 /nfs/dbraw/zinc/63/08/60/415630860.db2.gz MACCDLRTUGVXCZ-HNNXBMFYSA-N 2 2 310.442 0.587 10 0 DCAELP C[N@H+]1CCO[C@@H](CNC(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000105282407 415630866 /nfs/dbraw/zinc/63/08/66/415630866.db2.gz MACCDLRTUGVXCZ-HNNXBMFYSA-N 2 2 310.442 0.587 10 0 DCAELP COc1cc(C[N@H+](C)CC(=O)N2CC[NH+](C)CC2)cc(OC)c1 ZINC000357300218 416058323 /nfs/dbraw/zinc/05/83/23/416058323.db2.gz DGYYFNUPMLREBL-UHFFFAOYSA-N 2 2 321.421 0.910 10 0 DCAELP COc1cc(C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)cc(OC)c1 ZINC000357300218 416058327 /nfs/dbraw/zinc/05/83/27/416058327.db2.gz DGYYFNUPMLREBL-UHFFFAOYSA-N 2 2 321.421 0.910 10 0 DCAELP C[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCOCC1 ZINC000173826814 416065035 /nfs/dbraw/zinc/06/50/35/416065035.db2.gz JBJCZMCUYKAGJO-KFWWJZLASA-N 2 2 310.442 0.585 10 0 DCAELP C[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+]1CCOCC1 ZINC000173826814 416065037 /nfs/dbraw/zinc/06/50/37/416065037.db2.gz JBJCZMCUYKAGJO-KFWWJZLASA-N 2 2 310.442 0.585 10 0 DCAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CC(=O)N(C2CC2)[C@H]1c1ccnn1C ZINC000329032625 416145240 /nfs/dbraw/zinc/14/52/40/416145240.db2.gz QCZYZTMNOIVUEF-LSCFUAHRSA-N 2 2 317.437 0.764 10 0 DCAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CC(=O)N(C2CC2)[C@H]1c1ccnn1C ZINC000329032625 416145243 /nfs/dbraw/zinc/14/52/43/416145243.db2.gz QCZYZTMNOIVUEF-LSCFUAHRSA-N 2 2 317.437 0.764 10 0 DCAELP C[NH+]1CCC(CNC(=O)[C@@H]2CCC[NH2+]2)([NH+]2CCCCC2)CC1 ZINC000178891180 416176357 /nfs/dbraw/zinc/17/63/57/416176357.db2.gz WIDLISQXDHPCQQ-HNNXBMFYSA-N 3 2 308.470 0.805 10 0 DCAELP C[C@H](CNC(=O)N(C)CC1([NH+](C)C)CCC1)[NH+]1CCOCC1 ZINC000189667733 416268626 /nfs/dbraw/zinc/26/86/26/416268626.db2.gz YPINDSZFONJAEN-CQSZACIVSA-N 2 2 312.458 0.833 10 0 DCAELP CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)CC1 ZINC000367846986 416653682 /nfs/dbraw/zinc/65/36/82/416653682.db2.gz OAERNPFDGQYRFR-PBHICJAKSA-N 2 2 322.453 0.093 10 0 DCAELP CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)CC1 ZINC000367846986 416653685 /nfs/dbraw/zinc/65/36/85/416653685.db2.gz OAERNPFDGQYRFR-PBHICJAKSA-N 2 2 322.453 0.093 10 0 DCAELP CC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000367846986 416653689 /nfs/dbraw/zinc/65/36/89/416653689.db2.gz OAERNPFDGQYRFR-PBHICJAKSA-N 2 2 322.453 0.093 10 0 DCAELP CC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000367846986 416653692 /nfs/dbraw/zinc/65/36/92/416653692.db2.gz OAERNPFDGQYRFR-PBHICJAKSA-N 2 2 322.453 0.093 10 0 DCAELP C[NH+](C)C1CCN(CCNC(=O)[C@H]2CCCn3cc[nH+]c32)CC1 ZINC000177153822 261110948 /nfs/dbraw/zinc/11/09/48/261110948.db2.gz KRGCGNXZGCEKSK-HNNXBMFYSA-N 2 2 319.453 0.903 10 0 DCAELP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C[N@@H+]1C1CC1 ZINC000246385827 278019903 /nfs/dbraw/zinc/01/99/03/278019903.db2.gz RZSKFEKVZYILLV-IJEWVQPXSA-N 2 2 322.453 0.728 10 0 DCAELP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C[N@H+]1C1CC1 ZINC000246385827 278019904 /nfs/dbraw/zinc/01/99/04/278019904.db2.gz RZSKFEKVZYILLV-IJEWVQPXSA-N 2 2 322.453 0.728 10 0 DCAELP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000262119351 279373197 /nfs/dbraw/zinc/37/31/97/279373197.db2.gz KMPCCQVTVRPBJV-ILXRZTDVSA-N 2 2 305.426 0.802 10 0 DCAELP C[C@@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)[C@H](C)CO ZINC000175800520 341846697 /nfs/dbraw/zinc/84/66/97/341846697.db2.gz GJNSLJSEYWPTAV-CHWSQXEVSA-N 2 2 300.447 0.329 10 0 DCAELP CC(=O)NC1C[NH+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000191729865 519649409 /nfs/dbraw/zinc/64/94/09/519649409.db2.gz ZKEOVPDZKKLAIV-OAHLLOKOSA-N 2 2 316.405 0.834 10 0 DCAELP C[C@@H](C(=O)NC[C@@H]1C[NH+](C)CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000111587834 524199407 /nfs/dbraw/zinc/19/94/07/524199407.db2.gz GPTQWQMPFKCXTG-WMLDXEAASA-N 2 2 317.433 0.880 10 0 DCAELP C[C@@H](C(=O)NC[C@@H]1C[NH+](C)CCO1)[N@H+]1CCc2ccccc2C1 ZINC000111587834 524199417 /nfs/dbraw/zinc/19/94/17/524199417.db2.gz GPTQWQMPFKCXTG-WMLDXEAASA-N 2 2 317.433 0.880 10 0 DCAELP C[C@@H](C(=O)NC[C@@H]1C[N@H+](C)CCO1)[NH+]1CCc2ccccc2C1 ZINC000111587834 524199426 /nfs/dbraw/zinc/19/94/26/524199426.db2.gz GPTQWQMPFKCXTG-WMLDXEAASA-N 2 2 317.433 0.880 10 0 DCAELP C[C@@H](C(=O)NC[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCc2ccccc2C1 ZINC000111587834 524199435 /nfs/dbraw/zinc/19/94/35/524199435.db2.gz GPTQWQMPFKCXTG-WMLDXEAASA-N 2 2 317.433 0.880 10 0 DCAELP CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)CC1 ZINC000322127717 546035084 /nfs/dbraw/zinc/03/50/84/546035084.db2.gz SSHKGIGDSVIKRY-HOTGVXAUSA-N 2 2 322.453 0.141 10 0 DCAELP CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)CC1 ZINC000322127717 546035090 /nfs/dbraw/zinc/03/50/90/546035090.db2.gz SSHKGIGDSVIKRY-HOTGVXAUSA-N 2 2 322.453 0.141 10 0 DCAELP c1c[nH+]c(N2CC[NH+](CCc3nnnn3-c3ccccc3)CC2)[nH]1 ZINC000575193068 546297529 /nfs/dbraw/zinc/29/75/29/546297529.db2.gz XLSGJRLXJFDCKY-UHFFFAOYSA-N 2 2 324.392 0.750 10 0 DCAELP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1COCC[NH2+]1 ZINC000261543402 665399435 /nfs/dbraw/zinc/39/94/35/665399435.db2.gz HRMYWUPUZOBLAR-JKSUJKDBSA-N 2 2 303.406 0.756 10 0 DCAELP O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1COCC[NH2+]1 ZINC000261543402 665399436 /nfs/dbraw/zinc/39/94/36/665399436.db2.gz HRMYWUPUZOBLAR-JKSUJKDBSA-N 2 2 303.406 0.756 10 0 DCAELP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000174749660 283058438 /nfs/dbraw/zinc/05/84/38/283058438.db2.gz FYPYEFNDAFBXHU-LSDHHAIUSA-N 2 2 312.458 0.690 10 0 DCAELP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000174749660 283058443 /nfs/dbraw/zinc/05/84/43/283058443.db2.gz FYPYEFNDAFBXHU-LSDHHAIUSA-N 2 2 312.458 0.690 10 0 DCAELP CCC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000174749660 283058448 /nfs/dbraw/zinc/05/84/48/283058448.db2.gz FYPYEFNDAFBXHU-LSDHHAIUSA-N 2 2 312.458 0.690 10 0 DCAELP CCC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000174749660 283058451 /nfs/dbraw/zinc/05/84/51/283058451.db2.gz FYPYEFNDAFBXHU-LSDHHAIUSA-N 2 2 312.458 0.690 10 0 DCAELP O=c1cc(C[NH2+]C[C@H]2CCC[NH2+]C2)nc(-c2cnccn2)[nH]1 ZINC000073696145 191342924 /nfs/dbraw/zinc/34/29/24/191342924.db2.gz CZKPKAWPFHOKDC-NSHDSACASA-N 2 2 300.366 0.316 10 0 DCAELP C[N@@H+]1CCO[C@@H](C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000081300638 192247405 /nfs/dbraw/zinc/24/74/05/192247405.db2.gz PNHZNBWXVBDOKN-CYBMUJFWSA-N 2 2 301.350 0.214 10 0 DCAELP C[N@H+]1CCO[C@@H](C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000081300638 192247408 /nfs/dbraw/zinc/24/74/08/192247408.db2.gz PNHZNBWXVBDOKN-CYBMUJFWSA-N 2 2 301.350 0.214 10 0 DCAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)C1CCS(=O)(=O)CC1 ZINC000187050163 299303064 /nfs/dbraw/zinc/30/30/64/299303064.db2.gz DWOIWYHTQQPDDM-DZGCQCFKSA-N 2 2 318.483 0.636 10 0 DCAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)C1CCS(=O)(=O)CC1 ZINC000187050145 296131892 /nfs/dbraw/zinc/13/18/92/296131892.db2.gz DWOIWYHTQQPDDM-HIFRSBDPSA-N 2 2 318.483 0.636 10 0 DCAELP Cc1nc(N2CC[NH+](CCCN3CCCC3=O)CC2)cc[nH+]1 ZINC000569174604 291465075 /nfs/dbraw/zinc/46/50/75/291465075.db2.gz PYVPPHHAMXODQI-UHFFFAOYSA-N 2 2 303.410 0.920 10 0 DCAELP COCCN(CC[NH+](C)C)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000105125865 194075957 /nfs/dbraw/zinc/07/59/57/194075957.db2.gz RDATYYQYJNDWFU-UHFFFAOYSA-N 2 2 323.441 0.867 10 0 DCAELP C[C@H]1C[NH+](CCCNC(=O)N2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000105102742 194074312 /nfs/dbraw/zinc/07/43/12/194074312.db2.gz YBGYJCNJBLPJRL-GJZGRUSLSA-N 2 2 324.469 0.975 10 0 DCAELP C[C@@H]1C[NH+](CCCNC(=O)N2CC[NH+](C3CC3)CC2)C[C@@H](C)O1 ZINC000105102747 194074326 /nfs/dbraw/zinc/07/43/26/194074326.db2.gz YBGYJCNJBLPJRL-HUUCEWRRSA-N 2 2 324.469 0.975 10 0 DCAELP C[N@H+]1C[C@@H]2C[NH+](CC(=O)NC(=O)NCc3ccco3)C[C@@H]2C1 ZINC000193651465 395776011 /nfs/dbraw/zinc/77/60/11/395776011.db2.gz ZUGAEQTWOKPPCQ-TXEJJXNPSA-N 2 2 306.366 0.099 10 0 DCAELP C[N@@H+]1C[C@@H]2C[NH+](CC(=O)NC(=O)NCc3ccco3)C[C@@H]2C1 ZINC000193651465 395776013 /nfs/dbraw/zinc/77/60/13/395776013.db2.gz ZUGAEQTWOKPPCQ-TXEJJXNPSA-N 2 2 306.366 0.099 10 0 DCAELP C[NH+]1C[C@@H]2C[N@@H+](CC(=O)NC(=O)NCc3ccco3)C[C@@H]2C1 ZINC000193651465 395776017 /nfs/dbraw/zinc/77/60/17/395776017.db2.gz ZUGAEQTWOKPPCQ-TXEJJXNPSA-N 2 2 306.366 0.099 10 0 DCAELP C[NH+]1C[C@@H]2C[N@H+](CC(=O)NC(=O)NCc3ccco3)C[C@@H]2C1 ZINC000193651465 395776020 /nfs/dbraw/zinc/77/60/20/395776020.db2.gz ZUGAEQTWOKPPCQ-TXEJJXNPSA-N 2 2 306.366 0.099 10 0 DCAELP Cc1[nH+]c2ccccc2n1CC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000194723399 395805514 /nfs/dbraw/zinc/80/55/14/395805514.db2.gz QWSPCVPJACAASX-ZDUSSCGKSA-N 2 2 302.378 0.792 10 0 DCAELP Cc1[nH+]c2ccccc2n1CC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000194723399 395805515 /nfs/dbraw/zinc/80/55/15/395805515.db2.gz QWSPCVPJACAASX-ZDUSSCGKSA-N 2 2 302.378 0.792 10 0 DCAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H]2CCN(C)C2=O)nc[nH+]1 ZINC000246875517 395960230 /nfs/dbraw/zinc/96/02/30/395960230.db2.gz FRDJJHYAHVAXFR-RYUDHWBXSA-N 2 2 304.398 0.307 10 0 DCAELP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000246983026 395962591 /nfs/dbraw/zinc/96/25/91/395962591.db2.gz MSTBYJRBLKSZJR-HZPDHXFCSA-N 2 2 324.469 0.834 10 0 DCAELP CCC[N@H+]1CC[C@H](CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000246983026 395962594 /nfs/dbraw/zinc/96/25/94/395962594.db2.gz MSTBYJRBLKSZJR-HZPDHXFCSA-N 2 2 324.469 0.834 10 0 DCAELP C[C@H](NC(=O)N1CC[N@@H+]2CCC[C@H]2C1)[C@H](C)[NH+]1CCOCC1 ZINC000247222199 395969605 /nfs/dbraw/zinc/96/96/05/395969605.db2.gz CBDGAWAJWLKPRG-KKUMJFAQSA-N 2 2 310.442 0.585 10 0 DCAELP C[C@H](NC(=O)N1CC[N@H+]2CCC[C@H]2C1)[C@H](C)[NH+]1CCOCC1 ZINC000247222199 395969609 /nfs/dbraw/zinc/96/96/09/395969609.db2.gz CBDGAWAJWLKPRG-KKUMJFAQSA-N 2 2 310.442 0.585 10 0 DCAELP CCCn1cc(C[N@@H+]2CCCN(C(=O)C[NH+](C)C)CC2)cn1 ZINC000171599296 396119859 /nfs/dbraw/zinc/11/98/59/396119859.db2.gz YUVNPWCSEAWDDQ-UHFFFAOYSA-N 2 2 307.442 0.889 10 0 DCAELP CCCn1cc(C[N@H+]2CCCN(C(=O)C[NH+](C)C)CC2)cn1 ZINC000171599296 396119864 /nfs/dbraw/zinc/11/98/64/396119864.db2.gz YUVNPWCSEAWDDQ-UHFFFAOYSA-N 2 2 307.442 0.889 10 0 DCAELP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCCS(N)(=O)=O)C1 ZINC000179295386 396225065 /nfs/dbraw/zinc/22/50/65/396225065.db2.gz VWJBHXJABIWOQH-GFCCVEGCSA-N 2 2 300.428 0.353 10 0 DCAELP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCCS(N)(=O)=O)C1 ZINC000179295386 396225067 /nfs/dbraw/zinc/22/50/67/396225067.db2.gz VWJBHXJABIWOQH-GFCCVEGCSA-N 2 2 300.428 0.353 10 0 DCAELP CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000189367010 396394222 /nfs/dbraw/zinc/39/42/22/396394222.db2.gz CBJXYZJAZUHGAW-CQSZACIVSA-N 2 2 300.447 0.690 10 0 DCAELP CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000189367010 396394223 /nfs/dbraw/zinc/39/42/23/396394223.db2.gz CBJXYZJAZUHGAW-CQSZACIVSA-N 2 2 300.447 0.690 10 0 DCAELP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)CC[C@H](C)[NH3+])CC1 ZINC000193322475 396448976 /nfs/dbraw/zinc/44/89/76/396448976.db2.gz HYISRTCPPOGMIK-UONOGXRCSA-N 2 2 310.442 0.269 10 0 DCAELP C[NH2+]CCOCC[N@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000629571836 396792849 /nfs/dbraw/zinc/79/28/49/396792849.db2.gz JVZMMMIAHHWRFI-UHFFFAOYSA-N 2 2 300.424 0.758 10 0 DCAELP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000629571836 396792857 /nfs/dbraw/zinc/79/28/57/396792857.db2.gz JVZMMMIAHHWRFI-UHFFFAOYSA-N 2 2 300.424 0.758 10 0 DCAELP CNS(=O)(=O)CCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000407950765 397334134 /nfs/dbraw/zinc/33/41/34/397334134.db2.gz DZEPPMPLGGNEFE-UHFFFAOYSA-N 2 2 303.472 0.876 10 0 DCAELP CC1CC[NH+](CCCNC(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000104799320 158129590 /nfs/dbraw/zinc/12/95/90/158129590.db2.gz PKXGKRJFOLISSZ-OAHLLOKOSA-N 2 2 312.458 0.738 10 0 DCAELP CC1CC[NH+](CCCNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000104799320 158129592 /nfs/dbraw/zinc/12/95/92/158129592.db2.gz PKXGKRJFOLISSZ-OAHLLOKOSA-N 2 2 312.458 0.738 10 0 DCAELP C[C@H](CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1)[NH+]1CCOCC1 ZINC000171038221 158379488 /nfs/dbraw/zinc/37/94/88/158379488.db2.gz KXHUTTZPWCVPRP-CABCVRRESA-N 2 2 310.442 0.587 10 0 DCAELP Cc1cc(N2CCC[C@H]([NH2+][C@H](C)[C@@H]3CCC[NH2+]3)C2=O)n(C)n1 ZINC000333318633 415609873 /nfs/dbraw/zinc/60/98/73/415609873.db2.gz UBFWFYNVKCIYRA-RDBSUJKOSA-N 2 2 305.426 0.954 10 0 DCAELP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000333475160 415661193 /nfs/dbraw/zinc/66/11/93/415661193.db2.gz BJMOSJMLPIGPJU-ZBFHGGJFSA-N 2 2 317.437 0.907 10 0 DCAELP C[NH+]1CCC(CCNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CC1 ZINC000173908445 416066746 /nfs/dbraw/zinc/06/67/46/416066746.db2.gz VFRNADVKBNCUQW-MRXNPFEDSA-N 2 2 324.469 0.834 10 0 DCAELP C[C@@H](CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[N@H+](C)C1CC1 ZINC000173908613 416068679 /nfs/dbraw/zinc/06/86/79/416068679.db2.gz OJYWDHQDAYHCDK-ZFWWWQNUSA-N 2 2 310.442 0.585 10 0 DCAELP C[C@@H](CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[N@@H+](C)C1CC1 ZINC000173908613 416068683 /nfs/dbraw/zinc/06/86/83/416068683.db2.gz OJYWDHQDAYHCDK-ZFWWWQNUSA-N 2 2 310.442 0.585 10 0 DCAELP CN(Cc1[nH+]ccn1C)c1nc(N[C@H]2CCCOC2)cc[nH+]1 ZINC000328626533 416123341 /nfs/dbraw/zinc/12/33/41/416123341.db2.gz FEQSUVXFMQUCHF-LBPRGKRZSA-N 2 2 302.382 1.437 10 0 DCAELP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000177746392 416151160 /nfs/dbraw/zinc/15/11/60/416151160.db2.gz MBBYXDUIIXUREL-UYTSQGDYSA-N 2 2 307.438 0.840 10 0 DCAELP COCc1nc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)no1 ZINC000182442561 416222319 /nfs/dbraw/zinc/22/23/19/416222319.db2.gz OQUKTYARBHWEDA-GFCCVEGCSA-N 2 2 312.414 0.741 10 0 DCAELP COCc1nc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)no1 ZINC000182442561 416222322 /nfs/dbraw/zinc/22/23/22/416222322.db2.gz OQUKTYARBHWEDA-GFCCVEGCSA-N 2 2 312.414 0.741 10 0 DCAELP CN(C)c1cc[nH+]cc1C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000183572924 416246267 /nfs/dbraw/zinc/24/62/67/416246267.db2.gz UMRJIXLOUWJQHS-CYBMUJFWSA-N 2 2 304.394 0.741 10 0 DCAELP c1cncc(C[NH2+]CCC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000423186338 416476396 /nfs/dbraw/zinc/47/63/96/416476396.db2.gz LAZJFGHZCARHPM-SJORKVTESA-N 3 2 304.438 0.918 10 0 DCAELP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000638276808 417403805 /nfs/dbraw/zinc/40/38/05/417403805.db2.gz QFLAWZYWZKIDRQ-NUEKZKHPSA-N 2 2 321.421 0.366 10 0 DCAELP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000638276808 417403813 /nfs/dbraw/zinc/40/38/13/417403813.db2.gz QFLAWZYWZKIDRQ-NUEKZKHPSA-N 2 2 321.421 0.366 10 0 DCAELP Cc1[nH+]ccn1-c1cncc(N2CC[C@@H]([NH+]3CCOCC3)C2)n1 ZINC000301976479 230016891 /nfs/dbraw/zinc/01/68/91/230016891.db2.gz MLFBJUGMYSVQQJ-CQSZACIVSA-N 2 2 314.393 0.882 10 0 DCAELP COC[C@@H](C)C[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000187652907 332980251 /nfs/dbraw/zinc/98/02/51/332980251.db2.gz AQBPSUAVEGBBHS-HNNXBMFYSA-N 2 2 307.442 0.861 10 0 DCAELP CC[C@@H](CNC(=O)[C@@H]1COCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000236967121 202098580 /nfs/dbraw/zinc/09/85/80/202098580.db2.gz SAVBPUJLLZCNCZ-IRXDYDNUSA-N 2 2 317.433 0.928 10 0 DCAELP CC[C@@H](CNC(=O)[C@@H]1COCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000236967121 202098583 /nfs/dbraw/zinc/09/85/83/202098583.db2.gz SAVBPUJLLZCNCZ-IRXDYDNUSA-N 2 2 317.433 0.928 10 0 DCAELP C[C@H]1CN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC[N@@H+]1CCO ZINC000188802099 237381329 /nfs/dbraw/zinc/38/13/29/237381329.db2.gz VKLXFUFNANBSSW-DOTOQJQBSA-N 2 2 319.449 0.684 10 0 DCAELP C[C@H]1CN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC[N@H+]1CCO ZINC000188802099 237381333 /nfs/dbraw/zinc/38/13/33/237381333.db2.gz VKLXFUFNANBSSW-DOTOQJQBSA-N 2 2 319.449 0.684 10 0 DCAELP Cn1cc[nH+]c1CC1CC[NH+](CC(=O)NC(=O)NC2CC2)CC1 ZINC000105875476 194152913 /nfs/dbraw/zinc/15/29/13/194152913.db2.gz GEZCRQISXJVDLH-UHFFFAOYSA-N 2 2 319.409 0.663 10 0 DCAELP C[C@H](CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C)[NH+]1CCOCC1 ZINC000106430907 194212572 /nfs/dbraw/zinc/21/25/72/194212572.db2.gz FDSHIJINUXFQFQ-WBVHZDCISA-N 2 2 319.449 0.996 10 0 DCAELP Cc1[nH+]ccn1CCCNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000283942378 131035250 /nfs/dbraw/zinc/03/52/50/131035250.db2.gz JURZUFGTUGKVOY-CABCVRRESA-N 2 2 321.425 0.696 10 0 DCAELP Cc1[nH+]ccn1CCCNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000283942378 131035253 /nfs/dbraw/zinc/03/52/53/131035253.db2.gz JURZUFGTUGKVOY-CABCVRRESA-N 2 2 321.425 0.696 10 0 DCAELP NC(=O)[C@]1(O)CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000284883010 131119560 /nfs/dbraw/zinc/11/95/60/131119560.db2.gz QSUPTZKEPQIVPQ-HNNXBMFYSA-N 2 2 301.350 0.080 10 0 DCAELP C[C@@H](CNC(=O)N(C)CC1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000103603224 395774517 /nfs/dbraw/zinc/77/45/17/395774517.db2.gz ROIMKWRQWWAWIE-AWEZNQCLSA-N 2 2 312.458 0.690 10 0 DCAELP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193618093 395775086 /nfs/dbraw/zinc/77/50/86/395775086.db2.gz LEYMMNUZWQMUCW-FPMFFAJLSA-N 2 2 316.405 0.606 10 0 DCAELP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193618093 395775089 /nfs/dbraw/zinc/77/50/89/395775089.db2.gz LEYMMNUZWQMUCW-FPMFFAJLSA-N 2 2 316.405 0.606 10 0 DCAELP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193618093 395775092 /nfs/dbraw/zinc/77/50/92/395775092.db2.gz LEYMMNUZWQMUCW-FPMFFAJLSA-N 2 2 316.405 0.606 10 0 DCAELP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193618093 395775096 /nfs/dbraw/zinc/77/50/96/395775096.db2.gz LEYMMNUZWQMUCW-FPMFFAJLSA-N 2 2 316.405 0.606 10 0 DCAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCC(=O)NCC(=O)OC)C1 ZINC000111229483 395803737 /nfs/dbraw/zinc/80/37/37/395803737.db2.gz XNEVZJBSLFORTH-ZDUSSCGKSA-N 2 2 322.409 0.762 10 0 DCAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCC(=O)NCC(=O)OC)C1 ZINC000111229483 395803738 /nfs/dbraw/zinc/80/37/38/395803738.db2.gz XNEVZJBSLFORTH-ZDUSSCGKSA-N 2 2 322.409 0.762 10 0 DCAELP NC(=O)NC(=O)CCC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195516033 395830701 /nfs/dbraw/zinc/83/07/01/395830701.db2.gz HLSNYILGSDBPOJ-GFCCVEGCSA-N 2 2 305.382 0.791 10 0 DCAELP NC(=O)NC(=O)CCC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195516033 395830704 /nfs/dbraw/zinc/83/07/04/395830704.db2.gz HLSNYILGSDBPOJ-GFCCVEGCSA-N 2 2 305.382 0.791 10 0 DCAELP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NC(=O)NC1CC1 ZINC000195515757 395830891 /nfs/dbraw/zinc/83/08/91/395830891.db2.gz OMKUUSHHLJBUFT-LBPRGKRZSA-N 2 2 317.393 0.804 10 0 DCAELP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NC(=O)NC1CC1 ZINC000195515757 395830893 /nfs/dbraw/zinc/83/08/93/395830893.db2.gz OMKUUSHHLJBUFT-LBPRGKRZSA-N 2 2 317.393 0.804 10 0 DCAELP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000245889431 395937243 /nfs/dbraw/zinc/93/72/43/395937243.db2.gz NKJMKVHHCNLCDF-ILXRZTDVSA-N 2 2 310.442 0.585 10 0 DCAELP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000245889431 395937245 /nfs/dbraw/zinc/93/72/45/395937245.db2.gz NKJMKVHHCNLCDF-ILXRZTDVSA-N 2 2 310.442 0.585 10 0 DCAELP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000245889431 395937249 /nfs/dbraw/zinc/93/72/49/395937249.db2.gz NKJMKVHHCNLCDF-ILXRZTDVSA-N 2 2 310.442 0.585 10 0 DCAELP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000245889431 395937252 /nfs/dbraw/zinc/93/72/52/395937252.db2.gz NKJMKVHHCNLCDF-ILXRZTDVSA-N 2 2 310.442 0.585 10 0 DCAELP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000246038661 395940360 /nfs/dbraw/zinc/94/03/60/395940360.db2.gz OOMWSMQWMBPCNG-LSDHHAIUSA-N 2 2 312.458 0.690 10 0 DCAELP CC[N@H+]1CC[C@@H](N(C)C(=O)NCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000246038661 395940365 /nfs/dbraw/zinc/94/03/65/395940365.db2.gz OOMWSMQWMBPCNG-LSDHHAIUSA-N 2 2 312.458 0.690 10 0 DCAELP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000246343683 395947981 /nfs/dbraw/zinc/94/79/81/395947981.db2.gz OXDNMKBHSCZWJW-XHSDSOJGSA-N 2 2 324.469 0.975 10 0 DCAELP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000246343683 395947983 /nfs/dbraw/zinc/94/79/83/395947983.db2.gz OXDNMKBHSCZWJW-XHSDSOJGSA-N 2 2 324.469 0.975 10 0 DCAELP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000246465777 395950436 /nfs/dbraw/zinc/95/04/36/395950436.db2.gz PZSDQDNTJFIIRR-HZPDHXFCSA-N 2 2 320.437 0.919 10 0 DCAELP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000246465777 395950440 /nfs/dbraw/zinc/95/04/40/395950440.db2.gz PZSDQDNTJFIIRR-HZPDHXFCSA-N 2 2 320.437 0.919 10 0 DCAELP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000261619590 396049800 /nfs/dbraw/zinc/04/98/00/396049800.db2.gz AQXJFYZPPYURJP-UHFFFAOYSA-N 3 2 313.405 0.736 10 0 DCAELP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000261619590 396049803 /nfs/dbraw/zinc/04/98/03/396049803.db2.gz AQXJFYZPPYURJP-UHFFFAOYSA-N 3 2 313.405 0.736 10 0 DCAELP C[C@@]1(C[NH+]2CCN(c3ccc(C(N)=O)cn3)CC2)CC[NH2+]C1 ZINC000261776853 396065093 /nfs/dbraw/zinc/06/50/93/396065093.db2.gz NNYFNGORGXETDR-MRXNPFEDSA-N 2 2 303.410 0.302 10 0 DCAELP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152394796 396008043 /nfs/dbraw/zinc/00/80/43/396008043.db2.gz XXWIBCRESVKRAE-UONOGXRCSA-N 2 2 324.469 0.386 10 0 DCAELP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152394796 396008047 /nfs/dbraw/zinc/00/80/47/396008047.db2.gz XXWIBCRESVKRAE-UONOGXRCSA-N 2 2 324.469 0.386 10 0 DCAELP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152394796 396008050 /nfs/dbraw/zinc/00/80/50/396008050.db2.gz XXWIBCRESVKRAE-UONOGXRCSA-N 2 2 324.469 0.386 10 0 DCAELP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152394796 396008053 /nfs/dbraw/zinc/00/80/53/396008053.db2.gz XXWIBCRESVKRAE-UONOGXRCSA-N 2 2 324.469 0.386 10 0 DCAELP CC(C)OCC[NH+]1CCC(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263002783 396197058 /nfs/dbraw/zinc/19/70/58/396197058.db2.gz OXUCKTFPDJFQRT-CYBMUJFWSA-N 2 2 319.396 0.989 10 0 DCAELP O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000263076577 396200531 /nfs/dbraw/zinc/20/05/31/396200531.db2.gz XDHFFPWAXPYPSV-CYBMUJFWSA-N 2 2 317.380 0.554 10 0 DCAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc2c(cc1OC(F)F)OCO2 ZINC000263148001 396202925 /nfs/dbraw/zinc/20/29/25/396202925.db2.gz CWUIXGPWFFVIOH-NXEZZACHSA-N 2 2 316.304 0.687 10 0 DCAELP C[C@@H](O)C[N@@H+]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC000183587640 396272091 /nfs/dbraw/zinc/27/20/91/396272091.db2.gz PQOPHMPZXAPMTL-QWHCGFSZSA-N 2 2 306.410 0.675 10 0 DCAELP C[C@@H](O)C[N@H+]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC000183587640 396272094 /nfs/dbraw/zinc/27/20/94/396272094.db2.gz PQOPHMPZXAPMTL-QWHCGFSZSA-N 2 2 306.410 0.675 10 0 DCAELP c1cc(N2CC[C@H]([NH+]3CCCC3)C2)nc(N2CCOCC2)[nH+]1 ZINC000376829556 396985016 /nfs/dbraw/zinc/98/50/16/396985016.db2.gz UZOCSAWMOVQKIX-AWEZNQCLSA-N 2 2 303.410 0.988 10 0 DCAELP CCS(=O)(=O)NCC[NH2+][C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](OC)C1 ZINC000626049342 397061026 /nfs/dbraw/zinc/06/10/26/397061026.db2.gz KRRLUPKGODDPAN-MCIONIFRSA-N 2 2 319.471 0.157 10 0 DCAELP CCS(=O)(=O)NCC[NH2+][C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](OC)C1 ZINC000626049342 397061031 /nfs/dbraw/zinc/06/10/31/397061031.db2.gz KRRLUPKGODDPAN-MCIONIFRSA-N 2 2 319.471 0.157 10 0 DCAELP c1c(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)nnn1C[C@H]1CCOC1 ZINC000631040801 397159957 /nfs/dbraw/zinc/15/99/57/397159957.db2.gz VJHVKNWEUYUBSV-UONOGXRCSA-N 2 2 305.426 0.889 10 0 DCAELP c1c(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)nnn1C[C@H]1CCOC1 ZINC000631040801 397159959 /nfs/dbraw/zinc/15/99/59/397159959.db2.gz VJHVKNWEUYUBSV-UONOGXRCSA-N 2 2 305.426 0.889 10 0 DCAELP COC(=O)[C@@]1(C)CCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000614588817 397476649 /nfs/dbraw/zinc/47/66/49/397476649.db2.gz OTMJNHHBLZLPEW-QGZVFWFLSA-N 2 2 323.437 0.757 10 0 DCAELP COC(=O)[C@@]1(C)CCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000614588817 397476654 /nfs/dbraw/zinc/47/66/54/397476654.db2.gz OTMJNHHBLZLPEW-QGZVFWFLSA-N 2 2 323.437 0.757 10 0 DCAELP C[C@H](CNC(=O)NC[C@H](C)C[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000079981935 158080097 /nfs/dbraw/zinc/08/00/97/158080097.db2.gz GIZHEGYLGZFLLA-LSDHHAIUSA-N 2 2 312.458 0.738 10 0 DCAELP C[N@H+](CC(=O)NCC1CC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000171589958 158384875 /nfs/dbraw/zinc/38/48/75/158384875.db2.gz QKEKMACKLPODKD-UHFFFAOYSA-N 2 2 319.453 0.806 10 0 DCAELP C[N@@H+](CC(=O)NCC1CC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000171589958 158384876 /nfs/dbraw/zinc/38/48/76/158384876.db2.gz QKEKMACKLPODKD-UHFFFAOYSA-N 2 2 319.453 0.806 10 0 DCAELP C[C@H]1C[N@@H+](C2CC[NH+](C[C@H](O)Cn3cccn3)CC2)CCO1 ZINC000328680451 159020578 /nfs/dbraw/zinc/02/05/78/159020578.db2.gz UOYFLBJWNWLAJF-HOCLYGCPSA-N 2 2 308.426 0.429 10 0 DCAELP C[C@H]1C[N@H+](C2CC[NH+](C[C@H](O)Cn3cccn3)CC2)CCO1 ZINC000328680451 159020579 /nfs/dbraw/zinc/02/05/79/159020579.db2.gz UOYFLBJWNWLAJF-HOCLYGCPSA-N 2 2 308.426 0.429 10 0 DCAELP CO[C@H]1C[C@@H](C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)[N@H+](C)C1 ZINC000328996736 159050561 /nfs/dbraw/zinc/05/05/61/159050561.db2.gz FOTOBULEEVDANK-KKUMJFAQSA-N 2 2 320.437 0.920 10 0 DCAELP CO[C@H]1C[C@@H](C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)[N@@H+](C)C1 ZINC000328996736 159050564 /nfs/dbraw/zinc/05/05/64/159050564.db2.gz FOTOBULEEVDANK-KKUMJFAQSA-N 2 2 320.437 0.920 10 0 DCAELP C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000329275374 159078583 /nfs/dbraw/zinc/07/85/83/159078583.db2.gz JUWYJRKTMQMWLE-ZDUSSCGKSA-N 2 2 319.409 0.107 10 0 DCAELP CC[NH+](CC)CCS(=O)(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000408213222 160061599 /nfs/dbraw/zinc/06/15/99/160061599.db2.gz FKYPMIVVFPYHOA-KBPBESRZSA-N 2 2 319.471 0.063 10 0 DCAELP CC[NH+](CC)CCS(=O)(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000408213222 160061601 /nfs/dbraw/zinc/06/16/01/160061601.db2.gz FKYPMIVVFPYHOA-KBPBESRZSA-N 2 2 319.471 0.063 10 0 DCAELP O=C(Nc1ccn2cc[nH+]c2c1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000333321297 415610680 /nfs/dbraw/zinc/61/06/80/415610680.db2.gz NAMFXQSBFGFKMR-AWEZNQCLSA-N 2 2 314.393 0.846 10 0 DCAELP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000333690234 415716690 /nfs/dbraw/zinc/71/66/90/415716690.db2.gz PRGBOQZBUSVPTA-FVQBIDKESA-N 2 2 324.469 0.737 10 0 DCAELP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000333690234 415716694 /nfs/dbraw/zinc/71/66/94/415716694.db2.gz PRGBOQZBUSVPTA-FVQBIDKESA-N 2 2 324.469 0.737 10 0 DCAELP C[C@@]1(F)C[NH2+]CCN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)C1 ZINC000333880754 415757306 /nfs/dbraw/zinc/75/73/06/415757306.db2.gz DKHARHQYOILKLX-SWLSCSKDSA-N 2 2 309.389 0.576 10 0 DCAELP CC[C@H](C(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1)[NH+](C)C ZINC000164436394 416016741 /nfs/dbraw/zinc/01/67/41/416016741.db2.gz GLFQSSBQZQHRDR-QWHCGFSZSA-N 2 2 320.441 0.944 10 0 DCAELP CCOC(=O)CN(C)C(=O)C[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000174775153 416085891 /nfs/dbraw/zinc/08/58/91/416085891.db2.gz SMIZWQZREWLQIZ-KGLIPLIRSA-N 2 2 313.442 0.670 10 0 DCAELP CCOC(=O)CN(C)C(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000174775153 416085893 /nfs/dbraw/zinc/08/58/93/416085893.db2.gz SMIZWQZREWLQIZ-KGLIPLIRSA-N 2 2 313.442 0.670 10 0 DCAELP CCOC(=O)CN(C)C(=O)C[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000174775153 416085896 /nfs/dbraw/zinc/08/58/96/416085896.db2.gz SMIZWQZREWLQIZ-KGLIPLIRSA-N 2 2 313.442 0.670 10 0 DCAELP CCOC(=O)CN(C)C(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000174775153 416085897 /nfs/dbraw/zinc/08/58/97/416085897.db2.gz SMIZWQZREWLQIZ-KGLIPLIRSA-N 2 2 313.442 0.670 10 0 DCAELP C[C@H](NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000174760603 416085945 /nfs/dbraw/zinc/08/59/45/416085945.db2.gz MDXMYTXYADHXAR-JYJNAYRXSA-N 2 2 322.453 0.751 10 0 DCAELP Cc1[nH+]ccn1CCCCNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000176431800 416125724 /nfs/dbraw/zinc/12/57/24/416125724.db2.gz BQUGOEPDLDODFI-AWEZNQCLSA-N 2 2 309.414 0.602 10 0 DCAELP Cc1[nH+]ccn1CCCCNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000176431800 416125728 /nfs/dbraw/zinc/12/57/28/416125728.db2.gz BQUGOEPDLDODFI-AWEZNQCLSA-N 2 2 309.414 0.602 10 0 DCAELP C[NH+](C)C[C@@H]1CN(C(=O)NCc2ccn3cc[nH+]c3c2)CCO1 ZINC000177770411 416150892 /nfs/dbraw/zinc/15/08/92/416150892.db2.gz ADENXOMGEDPYKY-CQSZACIVSA-N 2 2 317.393 0.806 10 0 DCAELP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)NCCN2CCc3ccccc32)C1 ZINC000261784859 416335756 /nfs/dbraw/zinc/33/57/56/416335756.db2.gz NESRLZIUTIRDOR-SFHVURJKSA-N 2 2 316.449 0.836 10 0 DCAELP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)NCCN2CCc3ccccc32)C1 ZINC000261784859 416335757 /nfs/dbraw/zinc/33/57/57/416335757.db2.gz NESRLZIUTIRDOR-SFHVURJKSA-N 2 2 316.449 0.836 10 0 DCAELP C[C@@]1(C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)CC[NH2+]C1 ZINC000261910221 416336079 /nfs/dbraw/zinc/33/60/79/416336079.db2.gz YCQIZIBFKFYUNU-UONOGXRCSA-N 2 2 301.456 0.486 10 0 DCAELP C[C@@]1(C[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)CC[NH2+]C1 ZINC000261910221 416336080 /nfs/dbraw/zinc/33/60/80/416336080.db2.gz YCQIZIBFKFYUNU-UONOGXRCSA-N 2 2 301.456 0.486 10 0 DCAELP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000434480785 416481980 /nfs/dbraw/zinc/48/19/80/416481980.db2.gz OBABUVSFZFSXKW-HUUCEWRRSA-N 2 2 313.442 0.012 10 0 DCAELP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000434480785 416481986 /nfs/dbraw/zinc/48/19/86/416481986.db2.gz OBABUVSFZFSXKW-HUUCEWRRSA-N 2 2 313.442 0.012 10 0 DCAELP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@]3(CCOC3)OC(C)(C)C2)CC1 ZINC000369542330 416793145 /nfs/dbraw/zinc/79/31/45/416793145.db2.gz SGFIANPADCDAPI-INIZCTEOSA-N 2 2 311.426 0.030 10 0 DCAELP C[NH+]1CCN(C(=O)C[N@H+]2C[C@]3(CCOC3)OC(C)(C)C2)CC1 ZINC000369542330 416793150 /nfs/dbraw/zinc/79/31/50/416793150.db2.gz SGFIANPADCDAPI-INIZCTEOSA-N 2 2 311.426 0.030 10 0 DCAELP Cc1[nH+]ccn1-c1cncc(N2CC[C@H]([NH+]3CCOCC3)C2)n1 ZINC000301976478 230015326 /nfs/dbraw/zinc/01/53/26/230015326.db2.gz MLFBJUGMYSVQQJ-AWEZNQCLSA-N 2 2 314.393 0.882 10 0 DCAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@H](O)Cn1ccnn1 ZINC000459699605 272005661 /nfs/dbraw/zinc/00/56/61/272005661.db2.gz OOFVROZVVKNQNY-HYVNUMGLSA-N 2 2 315.421 0.749 10 0 DCAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@H](O)Cn1ccnn1 ZINC000459699605 272005663 /nfs/dbraw/zinc/00/56/63/272005663.db2.gz OOFVROZVVKNQNY-HYVNUMGLSA-N 2 2 315.421 0.749 10 0 DCAELP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195297570 279218763 /nfs/dbraw/zinc/21/87/63/279218763.db2.gz YFFKPJZJYZFDLS-TZMCWYRMSA-N 2 2 319.409 0.419 10 0 DCAELP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195297570 279218766 /nfs/dbraw/zinc/21/87/66/279218766.db2.gz YFFKPJZJYZFDLS-TZMCWYRMSA-N 2 2 319.409 0.419 10 0 DCAELP C[C@H](C(=O)NC(N)=O)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195297570 279218767 /nfs/dbraw/zinc/21/87/67/279218767.db2.gz YFFKPJZJYZFDLS-TZMCWYRMSA-N 2 2 319.409 0.419 10 0 DCAELP C[C@H](C(=O)NC(N)=O)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195297570 279218770 /nfs/dbraw/zinc/21/87/70/279218770.db2.gz YFFKPJZJYZFDLS-TZMCWYRMSA-N 2 2 319.409 0.419 10 0 DCAELP CC(C)[C@H](CNC(=O)N1CC[NH2+]C[C@@H]1C)N1CC[NH+](C)CC1 ZINC000333887517 280243644 /nfs/dbraw/zinc/24/36/44/280243644.db2.gz GDWUZYPIPHFXFD-GJZGRUSLSA-N 2 2 311.474 0.262 10 0 DCAELP [NH3+]C[C@H](C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC000237807398 295260893 /nfs/dbraw/zinc/26/08/93/295260893.db2.gz CHYKIWXXGJFIQB-CVEARBPZSA-N 2 2 303.406 0.662 10 0 DCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106431974 298643198 /nfs/dbraw/zinc/64/31/98/298643198.db2.gz IELFAVUCLWLYQI-WBVHZDCISA-N 2 2 319.449 0.996 10 0 DCAELP C[C@H](NC(=O)c1c[nH+]ccc1N(C)C)[C@H](C)[NH+]1CCOCC1 ZINC000183544330 518183148 /nfs/dbraw/zinc/18/31/48/518183148.db2.gz CQRLDFRLSFPNCQ-STQMWFEESA-N 2 2 306.410 0.987 10 0 DCAELP C[C@@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)[C@@H]1CCCO1 ZINC000175632997 545886991 /nfs/dbraw/zinc/88/69/91/545886991.db2.gz YQBMKDVLRXEEJW-HIFRSBDPSA-N 2 2 312.458 0.879 10 0 DCAELP CS(=O)(=O)N1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000211326123 545937608 /nfs/dbraw/zinc/93/76/08/545937608.db2.gz ZICWQTSYAMWJPC-UHFFFAOYSA-N 2 2 309.435 0.410 10 0 DCAELP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000332885877 546064972 /nfs/dbraw/zinc/06/49/72/546064972.db2.gz GQPZZTUAWNURNF-KBPBESRZSA-N 2 2 307.398 0.388 10 0 DCAELP Cc1[nH+]ccn1CCCN1C[C@@H]([NH+](C)C)[C@@H](n2ccnn2)C1 ZINC000859755750 671143287 /nfs/dbraw/zinc/14/32/87/671143287.db2.gz ASFCSUGJUFKTMF-CABCVRRESA-N 2 2 303.414 0.660 10 0 DCAELP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000380039978 685236891 /nfs/dbraw/zinc/23/68/91/685236891.db2.gz MXJMQPRBHHQURS-AWEZNQCLSA-N 2 2 305.488 0.976 10 0 DCAELP COCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000381962713 685239791 /nfs/dbraw/zinc/23/97/91/685239791.db2.gz HOWOOBDEWUBSFG-CVEARBPZSA-N 2 2 321.421 0.367 10 0 DCAELP COCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000381962713 685239797 /nfs/dbraw/zinc/23/97/97/685239797.db2.gz HOWOOBDEWUBSFG-CVEARBPZSA-N 2 2 321.421 0.367 10 0 DCAELP C[C@@H](NC(=O)N1CCC2(CC[NH2+]C2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000333132155 296059391 /nfs/dbraw/zinc/05/93/91/296059391.db2.gz BWASTTOAUHHSJW-CABCVRRESA-N 2 2 324.469 0.881 10 0 DCAELP C[C@@H](NC(=O)N1CCC[N@@H+](C2CC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000171715936 296061623 /nfs/dbraw/zinc/06/16/23/296061623.db2.gz UIEGYGIUWNVCEE-CABCVRRESA-N 2 2 324.469 0.975 10 0 DCAELP C[C@@H](NC(=O)N1CCC[N@H+](C2CC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000171715936 296061624 /nfs/dbraw/zinc/06/16/24/296061624.db2.gz UIEGYGIUWNVCEE-CABCVRRESA-N 2 2 324.469 0.975 10 0 DCAELP Cc1cc(Nc2nc[nH+]c(NN3CC[NH+](C)CC3)c2N)no1 ZINC000040680943 183117063 /nfs/dbraw/zinc/11/70/63/183117063.db2.gz XFNNVWPVHQCNSV-UHFFFAOYSA-N 2 2 304.358 0.673 10 0 DCAELP Cc1cc(C)n(-c2nc[nH+]c(NN3CC[NH+](C)CC3)c2N)n1 ZINC000040757089 183129850 /nfs/dbraw/zinc/12/98/50/183129850.db2.gz JCLLFQMVAIDBFN-UHFFFAOYSA-N 2 2 302.386 0.436 10 0 DCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105130245 194077664 /nfs/dbraw/zinc/07/76/64/194077664.db2.gz VPPVGCPHIJRNAG-HUUCEWRRSA-N 2 2 310.442 0.587 10 0 DCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000105130245 194077665 /nfs/dbraw/zinc/07/76/65/194077665.db2.gz VPPVGCPHIJRNAG-HUUCEWRRSA-N 2 2 310.442 0.587 10 0 DCAELP C[C@H]([C@H](C)NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000105298182 194094494 /nfs/dbraw/zinc/09/44/94/194094494.db2.gz WDRDRAYDKFLYEI-ARFHVFGLSA-N 2 2 324.469 0.975 10 0 DCAELP C[C@H]([C@H](C)NC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000105298182 194094497 /nfs/dbraw/zinc/09/44/97/194094497.db2.gz WDRDRAYDKFLYEI-ARFHVFGLSA-N 2 2 324.469 0.975 10 0 DCAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000105896406 194162009 /nfs/dbraw/zinc/16/20/09/194162009.db2.gz HFEMTLVXGJIANP-CQSZACIVSA-N 2 2 306.410 0.941 10 0 DCAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000105896406 194162010 /nfs/dbraw/zinc/16/20/10/194162010.db2.gz HFEMTLVXGJIANP-CQSZACIVSA-N 2 2 306.410 0.941 10 0 DCAELP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000106454281 194216489 /nfs/dbraw/zinc/21/64/89/194216489.db2.gz UBIGEOOMYUUVTJ-QGZVFWFLSA-N 2 2 319.449 0.998 10 0 DCAELP C[NH+](C)C1CC[NH+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000133093342 289070104 /nfs/dbraw/zinc/07/01/04/289070104.db2.gz YWSKSDMBDDFOTK-CYBMUJFWSA-N 2 2 303.472 0.684 10 0 DCAELP C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093193672 395736408 /nfs/dbraw/zinc/73/64/08/395736408.db2.gz NTQWYQLXSPOJAM-PBHICJAKSA-N 2 2 311.470 0.927 10 0 DCAELP C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093193673 395736579 /nfs/dbraw/zinc/73/65/79/395736579.db2.gz NTQWYQLXSPOJAM-YOEHRIQHSA-N 2 2 311.470 0.927 10 0 DCAELP CC[N@@H+]1CCC[C@H](NC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000194130042 395789529 /nfs/dbraw/zinc/78/95/29/395789529.db2.gz SBOUAVGRYKHVSD-AWEZNQCLSA-N 2 2 312.458 0.881 10 0 DCAELP CC[N@H+]1CCC[C@H](NC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000194130042 395789531 /nfs/dbraw/zinc/78/95/31/395789531.db2.gz SBOUAVGRYKHVSD-AWEZNQCLSA-N 2 2 312.458 0.881 10 0 DCAELP COc1nc(N2CC[N@H+](C)C[C@@H]2C[NH3+])ncc1Br ZINC000235023280 395892285 /nfs/dbraw/zinc/89/22/85/395892285.db2.gz KASYONAVOMNNJV-QMMMGPOBSA-N 2 2 316.203 0.327 10 0 DCAELP COc1nc(N2CC[N@@H+](C)C[C@@H]2C[NH3+])ncc1Br ZINC000235023280 395892289 /nfs/dbraw/zinc/89/22/89/395892289.db2.gz KASYONAVOMNNJV-QMMMGPOBSA-N 2 2 316.203 0.327 10 0 DCAELP C[NH+](C)CCN(Cc1ccco1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000125896814 395907565 /nfs/dbraw/zinc/90/75/65/395907565.db2.gz IMVAMYSQSXCGHR-HNNXBMFYSA-N 2 2 324.425 0.683 10 0 DCAELP C[NH+](C)CCN(Cc1ccco1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000125896814 395907568 /nfs/dbraw/zinc/90/75/68/395907568.db2.gz IMVAMYSQSXCGHR-HNNXBMFYSA-N 2 2 324.425 0.683 10 0 DCAELP OC[C@@H]1CCCN1c1cc(N2CC[N@@H+]3CCC[C@H]3C2)nc[nH+]1 ZINC000246166399 395943173 /nfs/dbraw/zinc/94/31/73/395943173.db2.gz NFAYIHXTBPBEGG-KBPBESRZSA-N 2 2 303.410 0.722 10 0 DCAELP OC[C@@H]1CCCN1c1cc(N2CC[N@H+]3CCC[C@H]3C2)nc[nH+]1 ZINC000246166399 395943175 /nfs/dbraw/zinc/94/31/75/395943175.db2.gz NFAYIHXTBPBEGG-KBPBESRZSA-N 2 2 303.410 0.722 10 0 DCAELP C[C@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000246187152 395943529 /nfs/dbraw/zinc/94/35/29/395943529.db2.gz MDXMYTXYADHXAR-HRCADAONSA-N 2 2 322.453 0.751 10 0 DCAELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000246372020 395948263 /nfs/dbraw/zinc/94/82/63/395948263.db2.gz QIMAKTPBFBSKMT-BZUAXINKSA-N 2 2 324.469 0.975 10 0 DCAELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000246372020 395948266 /nfs/dbraw/zinc/94/82/66/395948266.db2.gz QIMAKTPBFBSKMT-BZUAXINKSA-N 2 2 324.469 0.975 10 0 DCAELP C[N@@H+]1CCO[C@H](CNC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000247734278 395978041 /nfs/dbraw/zinc/97/80/41/395978041.db2.gz MNWQSGBQURXRQC-OLZOCXBDSA-N 2 2 307.398 0.977 10 0 DCAELP C[N@H+]1CCO[C@H](CNC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000247734278 395978043 /nfs/dbraw/zinc/97/80/43/395978043.db2.gz MNWQSGBQURXRQC-OLZOCXBDSA-N 2 2 307.398 0.977 10 0 DCAELP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000156271435 396060891 /nfs/dbraw/zinc/06/08/91/396060891.db2.gz AZVKCWWFIUSPQI-CABCVRRESA-N 2 2 312.458 0.689 10 0 DCAELP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000156271435 396060896 /nfs/dbraw/zinc/06/08/96/396060896.db2.gz AZVKCWWFIUSPQI-CABCVRRESA-N 2 2 312.458 0.689 10 0 DCAELP COc1ccccc1[C@H]1C[NH2+]CCN1CC[NH+]1CCOCC1 ZINC000261773767 396064487 /nfs/dbraw/zinc/06/44/87/396064487.db2.gz OWRQGZMVXFHRRF-MRXNPFEDSA-N 2 2 305.422 0.974 10 0 DCAELP Cn1cc(C[N@H+](CC[NH3+])CCc2ccccc2)c(=O)n(C)c1=O ZINC000261989276 396087248 /nfs/dbraw/zinc/08/72/48/396087248.db2.gz KBMVNHLXWHMDNP-UHFFFAOYSA-N 2 2 316.405 0.087 10 0 DCAELP Cn1cc(C[N@@H+](CC[NH3+])CCc2ccccc2)c(=O)n(C)c1=O ZINC000261989276 396087251 /nfs/dbraw/zinc/08/72/51/396087251.db2.gz KBMVNHLXWHMDNP-UHFFFAOYSA-N 2 2 316.405 0.087 10 0 DCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000262172054 396106315 /nfs/dbraw/zinc/10/63/15/396106315.db2.gz QLZQWNUQTINIMT-HNNXBMFYSA-N 3 2 305.426 0.478 10 0 DCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000262172054 396106316 /nfs/dbraw/zinc/10/63/16/396106316.db2.gz QLZQWNUQTINIMT-HNNXBMFYSA-N 3 2 305.426 0.478 10 0 DCAELP CCNC(=O)CN(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000262173088 396107245 /nfs/dbraw/zinc/10/72/45/396107245.db2.gz VKHKZSYPBIPJTH-CYBMUJFWSA-N 2 2 305.426 0.500 10 0 DCAELP C[N@H+](CCCn1cc[nH+]c1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000162297801 396079874 /nfs/dbraw/zinc/07/98/74/396079874.db2.gz VWCBYGCAOFLHLQ-CQSZACIVSA-N 2 2 314.455 0.877 10 0 DCAELP C[N@@H+](CCCn1cc[nH+]c1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000162297801 396079876 /nfs/dbraw/zinc/07/98/76/396079876.db2.gz VWCBYGCAOFLHLQ-CQSZACIVSA-N 2 2 314.455 0.877 10 0 DCAELP CCOCC[N@@H+]1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C[C@@H]1CC ZINC000263279520 396211040 /nfs/dbraw/zinc/21/10/40/396211040.db2.gz UCQWMHLIRLPFPV-QWHCGFSZSA-N 2 2 319.396 0.943 10 0 DCAELP CCOCC[N@H+]1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C[C@@H]1CC ZINC000263279520 396211045 /nfs/dbraw/zinc/21/10/45/396211045.db2.gz UCQWMHLIRLPFPV-QWHCGFSZSA-N 2 2 319.396 0.943 10 0 DCAELP CC[C@H]1CN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC[N@@H+]1CCOC ZINC000263118267 396202241 /nfs/dbraw/zinc/20/22/41/396202241.db2.gz ATGVAYPYDZNUML-RYUDHWBXSA-N 2 2 305.369 0.553 10 0 DCAELP CC[C@H]1CN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC[N@H+]1CCOC ZINC000263118267 396202243 /nfs/dbraw/zinc/20/22/43/396202243.db2.gz ATGVAYPYDZNUML-RYUDHWBXSA-N 2 2 305.369 0.553 10 0 DCAELP O=S(=O)(CC[NH+]1CCCC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000192500708 396432232 /nfs/dbraw/zinc/43/22/32/396432232.db2.gz KTGLCRTXBZLFTE-AWEZNQCLSA-N 2 2 301.456 0.582 10 0 DCAELP O=S(=O)(CC[NH+]1CCCC1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000192500708 396432238 /nfs/dbraw/zinc/43/22/38/396432238.db2.gz KTGLCRTXBZLFTE-AWEZNQCLSA-N 2 2 301.456 0.582 10 0 DCAELP CO[C@@H](C)[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000375558527 396772630 /nfs/dbraw/zinc/77/26/30/396772630.db2.gz RSINSDBDGXRGNO-MELADBBJSA-N 2 2 312.458 0.878 10 0 DCAELP CO[C@@H](C)[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000375558527 396772631 /nfs/dbraw/zinc/77/26/31/396772631.db2.gz RSINSDBDGXRGNO-MELADBBJSA-N 2 2 312.458 0.878 10 0 DCAELP C[N@H+](CC(=O)N1CCC[C@H](C(N)=O)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375784900 396819290 /nfs/dbraw/zinc/81/92/90/396819290.db2.gz JDOWWPWKPWVTLK-RDGKXADDSA-N 2 2 322.453 0.267 10 0 DCAELP C[N@@H+](CC(=O)N1CCC[C@H](C(N)=O)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375784900 396819296 /nfs/dbraw/zinc/81/92/96/396819296.db2.gz JDOWWPWKPWVTLK-RDGKXADDSA-N 2 2 322.453 0.267 10 0 DCAELP C[NH+](CC(=O)N1CCC[C@H](C(N)=O)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375784900 396819301 /nfs/dbraw/zinc/81/93/01/396819301.db2.gz JDOWWPWKPWVTLK-RDGKXADDSA-N 2 2 322.453 0.267 10 0 DCAELP C[NH+](CC(=O)N1CCC[C@H](C(N)=O)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375784900 396819304 /nfs/dbraw/zinc/81/93/04/396819304.db2.gz JDOWWPWKPWVTLK-RDGKXADDSA-N 2 2 322.453 0.267 10 0 DCAELP CC(=O)N1CCC[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1 ZINC000617768823 396825082 /nfs/dbraw/zinc/82/50/82/396825082.db2.gz VZSCACQATKEXOZ-HNNXBMFYSA-N 2 2 312.458 0.245 10 0 DCAELP CC(=O)N1CCC[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)C1 ZINC000617768823 396825087 /nfs/dbraw/zinc/82/50/87/396825087.db2.gz VZSCACQATKEXOZ-HNNXBMFYSA-N 2 2 312.458 0.245 10 0 DCAELP CC(=O)N1CCC(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000617768690 396825302 /nfs/dbraw/zinc/82/53/02/396825302.db2.gz QEQPDBNWGMTLRX-UHFFFAOYSA-N 2 2 312.458 0.245 10 0 DCAELP CC(=O)N1CCC(C(=O)NCC[N@H+](C)CCC[NH+](C)C)CC1 ZINC000617768690 396825305 /nfs/dbraw/zinc/82/53/05/396825305.db2.gz QEQPDBNWGMTLRX-UHFFFAOYSA-N 2 2 312.458 0.245 10 0 DCAELP C[C@H](CNC[C@@H](O)C[NH+]1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000390706982 397301884 /nfs/dbraw/zinc/30/18/84/397301884.db2.gz RMJBMFDAFWPQTJ-SJLPKXTDSA-N 2 2 321.465 0.790 10 0 DCAELP C[C@H](CNC[C@@H](O)C[NH+]1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000390706982 397301890 /nfs/dbraw/zinc/30/18/90/397301890.db2.gz RMJBMFDAFWPQTJ-SJLPKXTDSA-N 2 2 321.465 0.790 10 0 DCAELP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)[N@H+](C)C1 ZINC000408045712 397344786 /nfs/dbraw/zinc/34/47/86/397344786.db2.gz HZEMHKCNWAXUIF-IHRRRGAJSA-N 2 2 313.442 0.009 10 0 DCAELP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)[N@@H+](C)C1 ZINC000408045712 397344789 /nfs/dbraw/zinc/34/47/89/397344789.db2.gz HZEMHKCNWAXUIF-IHRRRGAJSA-N 2 2 313.442 0.009 10 0 DCAELP CO[C@H]1C[C@@H](C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)[NH+](C)C1 ZINC000408045712 397344792 /nfs/dbraw/zinc/34/47/92/397344792.db2.gz HZEMHKCNWAXUIF-IHRRRGAJSA-N 2 2 313.442 0.009 10 0 DCAELP CO[C@H]1C[C@@H](C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)[NH+](C)C1 ZINC000408045712 397344793 /nfs/dbraw/zinc/34/47/93/397344793.db2.gz HZEMHKCNWAXUIF-IHRRRGAJSA-N 2 2 313.442 0.009 10 0 DCAELP CC(C)NC(=O)C[N@H+](C)CC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000608145903 397718419 /nfs/dbraw/zinc/71/84/19/397718419.db2.gz MZOOPYMJMCBKAI-GOOCMWNKSA-N 2 2 324.469 0.574 10 0 DCAELP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000608145903 397718421 /nfs/dbraw/zinc/71/84/21/397718421.db2.gz MZOOPYMJMCBKAI-GOOCMWNKSA-N 2 2 324.469 0.574 10 0 DCAELP CC(C)NC(=O)C[NH+](C)CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000608145903 397718424 /nfs/dbraw/zinc/71/84/24/397718424.db2.gz MZOOPYMJMCBKAI-GOOCMWNKSA-N 2 2 324.469 0.574 10 0 DCAELP CC(C)NC(=O)C[NH+](C)CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000608145903 397718429 /nfs/dbraw/zinc/71/84/29/397718429.db2.gz MZOOPYMJMCBKAI-GOOCMWNKSA-N 2 2 324.469 0.574 10 0 DCAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC000119441402 158187455 /nfs/dbraw/zinc/18/74/55/158187455.db2.gz VHDRZPOCLXXYSL-GJZGRUSLSA-N 2 2 320.437 0.658 10 0 DCAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC000119441402 158187457 /nfs/dbraw/zinc/18/74/57/158187457.db2.gz VHDRZPOCLXXYSL-GJZGRUSLSA-N 2 2 320.437 0.658 10 0 DCAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)NCC(=O)N2CCCC2)CC[N@@H+]1C ZINC000123854289 158234138 /nfs/dbraw/zinc/23/41/38/158234138.db2.gz VJPOGDGBLCBCIJ-ZIAGYGMSSA-N 2 2 310.442 0.140 10 0 DCAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)NCC(=O)N2CCCC2)CC[N@H+]1C ZINC000123854289 158234140 /nfs/dbraw/zinc/23/41/40/158234140.db2.gz VJPOGDGBLCBCIJ-ZIAGYGMSSA-N 2 2 310.442 0.140 10 0 DCAELP C[C@@H]1C[C@H]([N@H+](C)CC(=O)NCC(=O)N2CCCC2)CC[NH+]1C ZINC000123854289 158234141 /nfs/dbraw/zinc/23/41/41/158234141.db2.gz VJPOGDGBLCBCIJ-ZIAGYGMSSA-N 2 2 310.442 0.140 10 0 DCAELP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)NCC(=O)N2CCCC2)CC[NH+]1C ZINC000123854289 158234143 /nfs/dbraw/zinc/23/41/43/158234143.db2.gz VJPOGDGBLCBCIJ-ZIAGYGMSSA-N 2 2 310.442 0.140 10 0 DCAELP CC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000366813106 159289299 /nfs/dbraw/zinc/28/92/99/159289299.db2.gz WHPQTVZJHNWCKS-QWHCGFSZSA-N 2 2 306.410 0.745 10 0 DCAELP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](CC(C)(C)O)C[C@@H]2C)[N@H+](C)C1 ZINC000408045552 160021461 /nfs/dbraw/zinc/02/14/61/160021461.db2.gz GTWAJNGDZCYHKF-IHRRRGAJSA-N 2 2 313.442 0.009 10 0 DCAELP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](CC(C)(C)O)C[C@@H]2C)[N@@H+](C)C1 ZINC000408045552 160021462 /nfs/dbraw/zinc/02/14/62/160021462.db2.gz GTWAJNGDZCYHKF-IHRRRGAJSA-N 2 2 313.442 0.009 10 0 DCAELP CO[C@H]1C[C@@H](C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)[NH+](C)C1 ZINC000408045552 160021464 /nfs/dbraw/zinc/02/14/64/160021464.db2.gz GTWAJNGDZCYHKF-IHRRRGAJSA-N 2 2 313.442 0.009 10 0 DCAELP CO[C@H]1C[C@@H](C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)[NH+](C)C1 ZINC000408045552 160021465 /nfs/dbraw/zinc/02/14/65/160021465.db2.gz GTWAJNGDZCYHKF-IHRRRGAJSA-N 2 2 313.442 0.009 10 0 DCAELP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000079252225 286923923 /nfs/dbraw/zinc/92/39/23/286923923.db2.gz IPZOGTYZRXDITI-GJZGRUSLSA-N 2 2 314.474 0.983 10 0 DCAELP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248662280 287099491 /nfs/dbraw/zinc/09/94/91/287099491.db2.gz YFFKPJZJYZFDLS-JSGCOSHPSA-N 2 2 319.409 0.419 10 0 DCAELP C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248662280 287099492 /nfs/dbraw/zinc/09/94/92/287099492.db2.gz YFFKPJZJYZFDLS-JSGCOSHPSA-N 2 2 319.409 0.419 10 0 DCAELP C[C@@H](C(=O)NC(N)=O)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248662280 287099493 /nfs/dbraw/zinc/09/94/93/287099493.db2.gz YFFKPJZJYZFDLS-JSGCOSHPSA-N 2 2 319.409 0.419 10 0 DCAELP C[C@@H](C(=O)NC(N)=O)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248662280 287099494 /nfs/dbraw/zinc/09/94/94/287099494.db2.gz YFFKPJZJYZFDLS-JSGCOSHPSA-N 2 2 319.409 0.419 10 0 DCAELP C[C@H](CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[NH+]1CCOCC1 ZINC000085358942 415503881 /nfs/dbraw/zinc/50/38/81/415503881.db2.gz PUANZSMHOGKGRV-KGLIPLIRSA-N 2 2 314.474 0.983 10 0 DCAELP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000105148744 415630311 /nfs/dbraw/zinc/63/03/11/415630311.db2.gz XRQNJHGMQGMUDP-KBPBESRZSA-N 2 2 300.447 0.593 10 0 DCAELP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000105148744 415630315 /nfs/dbraw/zinc/63/03/15/415630315.db2.gz XRQNJHGMQGMUDP-KBPBESRZSA-N 2 2 300.447 0.593 10 0 DCAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N(C)Cc2cnn(C)c2)CC[N@@H+]1C ZINC000172844084 416049141 /nfs/dbraw/zinc/04/91/41/416049141.db2.gz GNTYMMGMINUREO-HIFRSBDPSA-N 2 2 307.442 0.793 10 0 DCAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N(C)Cc2cnn(C)c2)CC[N@H+]1C ZINC000172844084 416049146 /nfs/dbraw/zinc/04/91/46/416049146.db2.gz GNTYMMGMINUREO-HIFRSBDPSA-N 2 2 307.442 0.793 10 0 DCAELP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)N(C)Cc2cnn(C)c2)CC[NH+]1C ZINC000172844084 416049147 /nfs/dbraw/zinc/04/91/47/416049147.db2.gz GNTYMMGMINUREO-HIFRSBDPSA-N 2 2 307.442 0.793 10 0 DCAELP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)N(C)Cc2cnn(C)c2)CC[NH+]1C ZINC000172844084 416049152 /nfs/dbraw/zinc/04/91/52/416049152.db2.gz GNTYMMGMINUREO-HIFRSBDPSA-N 2 2 307.442 0.793 10 0 DCAELP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC000357295994 416058114 /nfs/dbraw/zinc/05/81/14/416058114.db2.gz DKDLRTLHHWDMEB-ZDUSSCGKSA-N 2 2 310.442 0.140 10 0 DCAELP CC[NH+]1CCC(NC(=O)C[N@H+]2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC000357295994 416058118 /nfs/dbraw/zinc/05/81/18/416058118.db2.gz DKDLRTLHHWDMEB-ZDUSSCGKSA-N 2 2 310.442 0.140 10 0 DCAELP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173799996 416066232 /nfs/dbraw/zinc/06/62/32/416066232.db2.gz HHVAFAYJSJFEHB-HOTGVXAUSA-N 2 2 324.469 0.977 10 0 DCAELP CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@H]2C1 ZINC000329251527 416157794 /nfs/dbraw/zinc/15/77/94/416157794.db2.gz BMQHCBJVIOBMTJ-CWRNSKLLSA-N 2 2 318.421 0.767 10 0 DCAELP CC[N@H+]1CC[C@H]2OCCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@H]2C1 ZINC000329251527 416157796 /nfs/dbraw/zinc/15/77/96/416157796.db2.gz BMQHCBJVIOBMTJ-CWRNSKLLSA-N 2 2 318.421 0.767 10 0 DCAELP CN(C)c1cc[nH+]cc1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000183477933 416242252 /nfs/dbraw/zinc/24/22/52/416242252.db2.gz BAVCIFSXADPTPD-UHFFFAOYSA-N 2 2 305.426 0.515 10 0 DCAELP CN(C)c1cc[nH+]cc1C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000183477933 416242257 /nfs/dbraw/zinc/24/22/57/416242257.db2.gz BAVCIFSXADPTPD-UHFFFAOYSA-N 2 2 305.426 0.515 10 0 DCAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000247447463 416332877 /nfs/dbraw/zinc/33/28/77/416332877.db2.gz SLZPHXRLWFSLAK-BZUAXINKSA-N 2 2 324.469 0.831 10 0 DCAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000247447463 416332878 /nfs/dbraw/zinc/33/28/78/416332878.db2.gz SLZPHXRLWFSLAK-BZUAXINKSA-N 2 2 324.469 0.831 10 0 DCAELP CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369275071 416742571 /nfs/dbraw/zinc/74/25/71/416742571.db2.gz VFIOGDLHBILJDB-GOEBONIOSA-N 2 2 322.453 0.282 10 0 DCAELP CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369275071 416742579 /nfs/dbraw/zinc/74/25/79/416742579.db2.gz VFIOGDLHBILJDB-GOEBONIOSA-N 2 2 322.453 0.282 10 0 DCAELP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000638276806 417403386 /nfs/dbraw/zinc/40/33/86/417403386.db2.gz QFLAWZYWZKIDRQ-CWRNSKLLSA-N 2 2 321.421 0.366 10 0 DCAELP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000638276806 417403391 /nfs/dbraw/zinc/40/33/91/417403391.db2.gz QFLAWZYWZKIDRQ-CWRNSKLLSA-N 2 2 321.421 0.366 10 0 DCAELP C[N@H+]1C[C@@H]2C[NH+](CC(=O)N3CCO[C@@H]4CCCC[C@@H]43)C[C@@H]2C1 ZINC000193616914 277198161 /nfs/dbraw/zinc/19/81/61/277198161.db2.gz JQDYYHFUBXLQNJ-XUWVNRHRSA-N 2 2 307.438 0.650 10 0 DCAELP C[N@@H+]1C[C@@H]2C[NH+](CC(=O)N3CCO[C@@H]4CCCC[C@@H]43)C[C@@H]2C1 ZINC000193616914 277198162 /nfs/dbraw/zinc/19/81/62/277198162.db2.gz JQDYYHFUBXLQNJ-XUWVNRHRSA-N 2 2 307.438 0.650 10 0 DCAELP C[NH+]1C[C@@H]2C[N@@H+](CC(=O)N3CCO[C@@H]4CCCC[C@@H]43)C[C@@H]2C1 ZINC000193616914 277198164 /nfs/dbraw/zinc/19/81/64/277198164.db2.gz JQDYYHFUBXLQNJ-XUWVNRHRSA-N 2 2 307.438 0.650 10 0 DCAELP C[NH+]1C[C@@H]2C[N@H+](CC(=O)N3CCO[C@@H]4CCCC[C@@H]43)C[C@@H]2C1 ZINC000193616914 277198165 /nfs/dbraw/zinc/19/81/65/277198165.db2.gz JQDYYHFUBXLQNJ-XUWVNRHRSA-N 2 2 307.438 0.650 10 0 DCAELP CC[NH+](CC)[C@@H](C)CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173799050 279143554 /nfs/dbraw/zinc/14/35/54/279143554.db2.gz IOICCCTWFRLYNH-GJZGRUSLSA-N 2 2 312.458 0.833 10 0 DCAELP CC1(C)NC(=O)N(CC[N@H+](CC[NH3+])CCc2ccccc2)C1=O ZINC000261803017 281393674 /nfs/dbraw/zinc/39/36/74/281393674.db2.gz RRBBLPYBDWOTHJ-UHFFFAOYSA-N 2 2 318.421 0.820 10 0 DCAELP CC1(C)NC(=O)N(CC[N@@H+](CC[NH3+])CCc2ccccc2)C1=O ZINC000261803017 281393677 /nfs/dbraw/zinc/39/36/77/281393677.db2.gz RRBBLPYBDWOTHJ-UHFFFAOYSA-N 2 2 318.421 0.820 10 0 DCAELP Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)[C@H]3CCC[NH2+]3)C2=O)n(C)n1 ZINC000333318626 301335426 /nfs/dbraw/zinc/33/54/26/301335426.db2.gz UBFWFYNVKCIYRA-BFHYXJOUSA-N 2 2 305.426 0.954 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(n3cncn3)CC2)CC1 ZINC000156618569 521667199 /nfs/dbraw/zinc/66/71/99/521667199.db2.gz JYOFAUHZLXOZST-CQSZACIVSA-N 2 2 320.441 0.468 10 0 DCAELP C[C@H]1C[NH+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@H](C)O1 ZINC000126904824 524642874 /nfs/dbraw/zinc/64/28/74/524642874.db2.gz DOIKGWSVCUJLLJ-KBPBESRZSA-N 2 2 305.426 0.838 10 0 DCAELP OC[C@@H]1CCCN(c2cc(N3CC[N@@H+]4CCC[C@@H]4C3)nc[nH+]2)C1 ZINC000246047923 527590359 /nfs/dbraw/zinc/59/03/59/527590359.db2.gz CCZYJZIHXPMZLC-HUUCEWRRSA-N 2 2 317.437 0.970 10 0 DCAELP OC[C@@H]1CCCN(c2cc(N3CC[N@H+]4CCC[C@@H]4C3)nc[nH+]2)C1 ZINC000246047923 527590364 /nfs/dbraw/zinc/59/03/64/527590364.db2.gz CCZYJZIHXPMZLC-HUUCEWRRSA-N 2 2 317.437 0.970 10 0 DCAELP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](Cc3ccncc3)CC2)[N@H+](C)C1 ZINC000343324661 546135108 /nfs/dbraw/zinc/13/51/08/546135108.db2.gz VWPSIUOJIHNMSI-HOTGVXAUSA-N 2 2 318.421 0.445 10 0 DCAELP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](Cc3ccncc3)CC2)[N@@H+](C)C1 ZINC000343324661 546135112 /nfs/dbraw/zinc/13/51/12/546135112.db2.gz VWPSIUOJIHNMSI-HOTGVXAUSA-N 2 2 318.421 0.445 10 0 DCAELP C[C@H]1C[N@H+](Cc2cnc(NC(=O)C[NH+](C)C)s2)CC[C@H]1[NH3+] ZINC000725273038 548750027 /nfs/dbraw/zinc/75/00/27/548750027.db2.gz XPLCDERITYDLIV-CMPLNLGQSA-N 3 2 311.455 0.812 10 0 DCAELP C[C@H]1C[N@@H+](Cc2cnc(NC(=O)C[NH+](C)C)s2)CC[C@H]1[NH3+] ZINC000725273038 548750032 /nfs/dbraw/zinc/75/00/32/548750032.db2.gz XPLCDERITYDLIV-CMPLNLGQSA-N 3 2 311.455 0.812 10 0 DCAELP CCN1C(=O)CN(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)C1=O ZINC000176076733 657798661 /nfs/dbraw/zinc/79/86/61/657798661.db2.gz UUSAHWVCPSLLJC-ZDUSSCGKSA-N 2 2 305.382 0.898 10 0 DCAELP CCN1C(=O)CN(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)C1=O ZINC000176076733 657798672 /nfs/dbraw/zinc/79/86/72/657798672.db2.gz UUSAHWVCPSLLJC-ZDUSSCGKSA-N 2 2 305.382 0.898 10 0 DCAELP C[C@@H]1C[NH+](C[C@H]2CCCN2Cc2noc(C[NH3+])n2)C[C@@H](C)O1 ZINC000262146305 662112269 /nfs/dbraw/zinc/11/22/69/662112269.db2.gz FMVJWXXZAIKICI-JHJVBQTASA-N 2 2 309.414 0.602 10 0 DCAELP C[NH+]1CCN(C(=O)CC2CC[NH+](CC3OCCO3)CC2)CC1 ZINC000182654724 665863377 /nfs/dbraw/zinc/86/33/77/665863377.db2.gz ACYOJOZAZQQMPS-UHFFFAOYSA-N 2 2 311.426 0.235 10 0 DCAELP CNC(=O)NC(=O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180659449 199192481 /nfs/dbraw/zinc/19/24/81/199192481.db2.gz SHQRTCDPOGVAAT-LLVKDONJSA-N 2 2 301.350 0.979 10 0 DCAELP O=C(NCc1cccnc1-n1cc[nH+]c1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188717914 200292940 /nfs/dbraw/zinc/29/29/40/200292940.db2.gz AJQLPGFLYASUEZ-UHFFFAOYSA-N 2 2 323.360 0.566 10 0 DCAELP CC(C)C[NH+]1CCC(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000104786741 194039708 /nfs/dbraw/zinc/03/97/08/194039708.db2.gz QCPWGGRIDIUKML-OAHLLOKOSA-N 2 2 312.458 0.737 10 0 DCAELP CC(C)C[NH+]1CCC(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000104786741 194039710 /nfs/dbraw/zinc/03/97/10/194039710.db2.gz QCPWGGRIDIUKML-OAHLLOKOSA-N 2 2 312.458 0.737 10 0 DCAELP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000245420690 285271742 /nfs/dbraw/zinc/27/17/42/285271742.db2.gz NCWWBTUMDPIYFV-CABCVRRESA-N 2 2 312.458 0.833 10 0 DCAELP CC[N@H+]1CCC[C@H]1CN(C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000245420690 285271744 /nfs/dbraw/zinc/27/17/44/285271744.db2.gz NCWWBTUMDPIYFV-CABCVRRESA-N 2 2 312.458 0.833 10 0 DCAELP Cc1nc(C[N@@H+]2CCO[C@H]3C[NH+](CCO)CC[C@H]3C2)cs1 ZINC000247974780 257112527 /nfs/dbraw/zinc/11/25/27/257112527.db2.gz UPVCKCWWZNLVIK-ZFWWWQNUSA-N 2 2 311.451 0.967 10 0 DCAELP Cc1nc(C[N@H+]2CCO[C@H]3C[NH+](CCO)CC[C@H]3C2)cs1 ZINC000247974780 257112529 /nfs/dbraw/zinc/11/25/29/257112529.db2.gz UPVCKCWWZNLVIK-ZFWWWQNUSA-N 2 2 311.451 0.967 10 0 DCAELP Cc1nc(C[NH+]2CCO[C@H]3C[N@H+](CCO)CC[C@H]3C2)cs1 ZINC000247974780 257112530 /nfs/dbraw/zinc/11/25/30/257112530.db2.gz UPVCKCWWZNLVIK-ZFWWWQNUSA-N 2 2 311.451 0.967 10 0 DCAELP Cc1nc(C[NH+]2CCO[C@H]3C[N@@H+](CCO)CC[C@H]3C2)cs1 ZINC000247974780 257112531 /nfs/dbraw/zinc/11/25/31/257112531.db2.gz UPVCKCWWZNLVIK-ZFWWWQNUSA-N 2 2 311.451 0.967 10 0 DCAELP C[NH+](C)C[C@@H]1CN(C(=O)NCCCNc2cccc[nH+]2)CCO1 ZINC000117033678 395850677 /nfs/dbraw/zinc/85/06/77/395850677.db2.gz MPOYXBLKYJQDOP-CQSZACIVSA-N 2 2 321.425 0.856 10 0 DCAELP COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000245713691 395935464 /nfs/dbraw/zinc/93/54/64/395935464.db2.gz ZXEGTJHHRNIGOI-ZNMIVQPWSA-N 2 2 323.437 0.567 10 0 DCAELP COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000245713691 395935465 /nfs/dbraw/zinc/93/54/65/395935465.db2.gz ZXEGTJHHRNIGOI-ZNMIVQPWSA-N 2 2 323.437 0.567 10 0 DCAELP C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000247237162 395969938 /nfs/dbraw/zinc/96/99/38/395969938.db2.gz XNNUUAFNFCUZNA-HUUCEWRRSA-N 2 2 310.442 0.444 10 0 DCAELP C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000247237162 395969941 /nfs/dbraw/zinc/96/99/41/395969941.db2.gz XNNUUAFNFCUZNA-HUUCEWRRSA-N 2 2 310.442 0.444 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000248369072 395985013 /nfs/dbraw/zinc/98/50/13/395985013.db2.gz VWEXPAGIRNGIST-CVEARBPZSA-N 2 2 308.470 0.709 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC000248369072 395985016 /nfs/dbraw/zinc/98/50/16/395985016.db2.gz VWEXPAGIRNGIST-CVEARBPZSA-N 2 2 308.470 0.709 10 0 DCAELP c1cc(CNC2=[NH+]CCCN2)cc(OCC[NH+]2CCOCC2)c1 ZINC000261742086 396061687 /nfs/dbraw/zinc/06/16/87/396061687.db2.gz IOSICVVVDWGMKI-UHFFFAOYSA-N 2 2 318.421 0.837 10 0 DCAELP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CSC[NH2+]1 ZINC000261988263 396087348 /nfs/dbraw/zinc/08/73/48/396087348.db2.gz SNWVLBLFCVPJIG-HNNXBMFYSA-N 2 2 321.446 0.798 10 0 DCAELP CC(=O)N1CCN(C(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000173527793 396135407 /nfs/dbraw/zinc/13/54/07/396135407.db2.gz WAZMLKFGNYBCJG-UKRRQHHQSA-N 2 2 310.442 0.092 10 0 DCAELP CC(=O)N1CCN(C(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000173527793 396135412 /nfs/dbraw/zinc/13/54/12/396135412.db2.gz WAZMLKFGNYBCJG-UKRRQHHQSA-N 2 2 310.442 0.092 10 0 DCAELP CC(=O)N1CCN(C(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)CC1 ZINC000173527793 396135415 /nfs/dbraw/zinc/13/54/15/396135415.db2.gz WAZMLKFGNYBCJG-UKRRQHHQSA-N 2 2 310.442 0.092 10 0 DCAELP CC(=O)N1CCN(C(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)CC1 ZINC000173527793 396135418 /nfs/dbraw/zinc/13/54/18/396135418.db2.gz WAZMLKFGNYBCJG-UKRRQHHQSA-N 2 2 310.442 0.092 10 0 DCAELP C[N@H+](CCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)C1CCCC1 ZINC000173827144 396136210 /nfs/dbraw/zinc/13/62/10/396136210.db2.gz AKICXNXBPYVHDJ-MRXNPFEDSA-N 2 2 324.469 0.977 10 0 DCAELP C[N@@H+](CCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)C1CCCC1 ZINC000173827144 396136213 /nfs/dbraw/zinc/13/62/13/396136213.db2.gz AKICXNXBPYVHDJ-MRXNPFEDSA-N 2 2 324.469 0.977 10 0 DCAELP COCC1(C(=O)NCc2ccc[nH+]c2N(C)C)CC[NH2+]CC1 ZINC000262435265 396139547 /nfs/dbraw/zinc/13/95/47/396139547.db2.gz XEVLXBFBQJYUOD-UHFFFAOYSA-N 2 2 306.410 0.780 10 0 DCAELP COc1ccc(OC(F)F)c(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000263203122 396206120 /nfs/dbraw/zinc/20/61/20/396206120.db2.gz JHRMQAAWWVKJSB-ZYHUDNBSSA-N 2 2 302.321 0.967 10 0 DCAELP Cc1ccc([C@@H](CNC(=O)C2C[NH2+]C2)[NH+]2CCOCC2)s1 ZINC000263262194 396209985 /nfs/dbraw/zinc/20/99/85/396209985.db2.gz GOWVHUBUIWXKFE-CYBMUJFWSA-N 2 2 309.435 0.765 10 0 DCAELP C[C@H]1CN(C(=O)NCCCn2cc[nH+]c2)C[C@H]1[NH+]1CCOCC1 ZINC000177297147 396170913 /nfs/dbraw/zinc/17/09/13/396170913.db2.gz DXXOYHPFFCKGPZ-LSDHHAIUSA-N 2 2 321.425 0.635 10 0 DCAELP CC(C)OCC[NH+]1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000262737713 396177211 /nfs/dbraw/zinc/17/72/11/396177211.db2.gz CHDAEWHHUYMWMH-LBPRGKRZSA-N 2 2 305.369 0.553 10 0 DCAELP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263273344 396211341 /nfs/dbraw/zinc/21/13/41/396211341.db2.gz SNMVRNSGERFMAP-YPMHNXCESA-N 2 2 317.380 0.601 10 0 DCAELP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282223204 396273583 /nfs/dbraw/zinc/27/35/83/396273583.db2.gz YXEUJCSXDFGHPB-VXGBXAGGSA-N 2 2 319.409 0.982 10 0 DCAELP C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282223204 396273585 /nfs/dbraw/zinc/27/35/85/396273585.db2.gz YXEUJCSXDFGHPB-VXGBXAGGSA-N 2 2 319.409 0.982 10 0 DCAELP O=C(NCC[NH+]1CCCCC1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000560985559 396627169 /nfs/dbraw/zinc/62/71/69/396627169.db2.gz BOERKEOKOWGUFP-UHFFFAOYSA-N 2 2 315.377 0.875 10 0 DCAELP COc1nc(N2CC[N@H+](C)C[C@H]2C[NH3+])ncc1Br ZINC000300259581 396715118 /nfs/dbraw/zinc/71/51/18/396715118.db2.gz KASYONAVOMNNJV-MRVPVSSYSA-N 2 2 316.203 0.327 10 0 DCAELP COc1nc(N2CC[N@@H+](C)C[C@H]2C[NH3+])ncc1Br ZINC000300259581 396715123 /nfs/dbraw/zinc/71/51/23/396715123.db2.gz KASYONAVOMNNJV-MRVPVSSYSA-N 2 2 316.203 0.327 10 0 DCAELP C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000578422396 397433231 /nfs/dbraw/zinc/43/32/31/397433231.db2.gz TYRWRSPRIPCBMB-NWDGAFQWSA-N 2 2 315.377 0.824 10 0 DCAELP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000578422396 397433233 /nfs/dbraw/zinc/43/32/33/397433233.db2.gz TYRWRSPRIPCBMB-NWDGAFQWSA-N 2 2 315.377 0.824 10 0 DCAELP CC[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)CCN1CC(F)F ZINC000093256612 158119442 /nfs/dbraw/zinc/11/94/42/158119442.db2.gz VACJDQFJZAKXRI-CYBMUJFWSA-N 2 2 318.412 0.422 10 0 DCAELP CC[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)CCN1CC(F)F ZINC000093256612 158119446 /nfs/dbraw/zinc/11/94/46/158119446.db2.gz VACJDQFJZAKXRI-CYBMUJFWSA-N 2 2 318.412 0.422 10 0 DCAELP Cn1cc[nH+]c1CC1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000122021255 158217793 /nfs/dbraw/zinc/21/77/93/158217793.db2.gz BYFWKOBAGXHNQM-CQSZACIVSA-N 2 2 306.410 0.532 10 0 DCAELP Cn1cc[nH+]c1CC1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000122021255 158217794 /nfs/dbraw/zinc/21/77/94/158217794.db2.gz BYFWKOBAGXHNQM-CQSZACIVSA-N 2 2 306.410 0.532 10 0 DCAELP [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000165973709 158365805 /nfs/dbraw/zinc/36/58/05/158365805.db2.gz KUMGCTOBWFHHSW-UMVBOHGHSA-N 2 2 313.467 0.438 10 0 DCAELP COC(=O)[C@H]1C[C@@H]1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000170758850 158375968 /nfs/dbraw/zinc/37/59/68/158375968.db2.gz DYZMAINSBNQTSV-GJZGRUSLSA-N 2 2 323.437 0.470 10 0 DCAELP C[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)[NH+]1CCOCC1 ZINC000171038229 158379611 /nfs/dbraw/zinc/37/96/11/158379611.db2.gz KXHUTTZPWCVPRP-HUUCEWRRSA-N 2 2 310.442 0.587 10 0 DCAELP CO[C@H]1C[C@@H](C(=O)N2CC[NH2+][C@@H](c3cccnc3)C2)[N@H+](C)C1 ZINC000329172851 159070162 /nfs/dbraw/zinc/07/01/62/159070162.db2.gz KOXVUJFKIVRIAL-ZNMIVQPWSA-N 2 2 304.394 0.274 10 0 DCAELP CO[C@H]1C[C@@H](C(=O)N2CC[NH2+][C@@H](c3cccnc3)C2)[N@@H+](C)C1 ZINC000329172851 159070165 /nfs/dbraw/zinc/07/01/65/159070165.db2.gz KOXVUJFKIVRIAL-ZNMIVQPWSA-N 2 2 304.394 0.274 10 0 DCAELP CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000079311860 286924369 /nfs/dbraw/zinc/92/43/69/286924369.db2.gz AEYQZDLLRFTATL-HUUCEWRRSA-N 2 2 314.474 0.983 10 0 DCAELP C[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)[NH+]1CCOCC1 ZINC000246366065 287082131 /nfs/dbraw/zinc/08/21/31/287082131.db2.gz QMDYEBGMOFNZCC-ILXRZTDVSA-N 2 2 312.458 0.689 10 0 DCAELP C[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1CCO ZINC000249502642 287111989 /nfs/dbraw/zinc/11/19/89/287111989.db2.gz JEZLTFANJUOSRD-ZBFHGGJFSA-N 2 2 305.422 0.814 10 0 DCAELP C[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC[N@H+]1CCO ZINC000249502642 287111994 /nfs/dbraw/zinc/11/19/94/287111994.db2.gz JEZLTFANJUOSRD-ZBFHGGJFSA-N 2 2 305.422 0.814 10 0 DCAELP CC[C@H](CNC(=O)[C@H]1COCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000262676384 287128885 /nfs/dbraw/zinc/12/88/85/287128885.db2.gz SAVBPUJLLZCNCZ-IAGOWNOFSA-N 2 2 317.433 0.928 10 0 DCAELP CC[C@H](CNC(=O)[C@H]1COCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000262676384 287128888 /nfs/dbraw/zinc/12/88/88/287128888.db2.gz SAVBPUJLLZCNCZ-IAGOWNOFSA-N 2 2 317.433 0.928 10 0 DCAELP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000106912940 415657228 /nfs/dbraw/zinc/65/72/28/415657228.db2.gz WGIMBVKKUVPTLP-HZPDHXFCSA-N 2 2 305.422 0.606 10 0 DCAELP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000106912940 415657234 /nfs/dbraw/zinc/65/72/34/415657234.db2.gz WGIMBVKKUVPTLP-HZPDHXFCSA-N 2 2 305.422 0.606 10 0 DCAELP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000333475152 415660891 /nfs/dbraw/zinc/66/08/91/415660891.db2.gz BJLVIYDCNIBEOT-RBSFLKMASA-N 2 2 310.442 0.491 10 0 DCAELP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCCn1cc[nH+]c1 ZINC000171896202 416041991 /nfs/dbraw/zinc/04/19/91/416041991.db2.gz LJJCVWVZQSWCKE-CQSZACIVSA-N 2 2 309.414 0.683 10 0 DCAELP COCC[N@H+]1CCC[C@@H]1CNC(=O)NCCCn1cc[nH+]c1 ZINC000171896202 416041993 /nfs/dbraw/zinc/04/19/93/416041993.db2.gz LJJCVWVZQSWCKE-CQSZACIVSA-N 2 2 309.414 0.683 10 0 DCAELP O=C([C@H]1CCCn2cc[nH+]c21)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000176448745 416126518 /nfs/dbraw/zinc/12/65/18/416126518.db2.gz HQZYMAZXRNKSHH-GJZGRUSLSA-N 2 2 318.421 0.941 10 0 DCAELP CC1=CC[NH+](CCNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)CC1 ZINC000357899100 416149141 /nfs/dbraw/zinc/14/91/41/416149141.db2.gz FHISVAHJQKHJQT-CABCVRRESA-N 2 2 308.426 0.363 10 0 DCAELP CC1=CC[NH+](CCNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)CC1 ZINC000357899100 416149144 /nfs/dbraw/zinc/14/91/44/416149144.db2.gz FHISVAHJQKHJQT-CABCVRRESA-N 2 2 308.426 0.363 10 0 DCAELP CC1=CC[N@H+](CCNC(=O)N2C[C@@H]3[C@H](C2)OCC[NH+]3C)CC1 ZINC000357899100 416149147 /nfs/dbraw/zinc/14/91/47/416149147.db2.gz FHISVAHJQKHJQT-CABCVRRESA-N 2 2 308.426 0.363 10 0 DCAELP CC1=CC[N@@H+](CCNC(=O)N2C[C@@H]3[C@H](C2)OCC[NH+]3C)CC1 ZINC000357899100 416149150 /nfs/dbraw/zinc/14/91/50/416149150.db2.gz FHISVAHJQKHJQT-CABCVRRESA-N 2 2 308.426 0.363 10 0 DCAELP Cc1nc(N2CCN(C(=O)NC[C@H](C)[NH+](C)C)CC2)cc[nH+]1 ZINC000459039719 416520501 /nfs/dbraw/zinc/52/05/01/416520501.db2.gz KIDCTZKMJPWGSM-LBPRGKRZSA-N 2 2 306.414 0.567 10 0 DCAELP c1cn2c([nH+]1)C[C@@H](Nc1cc[nH+]c(N3CCOCC3)n1)CC2 ZINC000489948917 416567041 /nfs/dbraw/zinc/56/70/41/416567041.db2.gz SVCNLDICBUTSEI-LBPRGKRZSA-N 2 2 300.366 0.937 10 0 DCAELP CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCCCC[C@H]([NH3+])C2)C1 ZINC000631834031 416756909 /nfs/dbraw/zinc/75/69/09/416756909.db2.gz NIYLWQZYKVWYGC-KBPBESRZSA-N 2 2 303.472 0.861 10 0 DCAELP CS(=O)(=O)N1CCC[C@@H](C[N@H+]2CCCCC[C@H]([NH3+])C2)C1 ZINC000631834031 416756919 /nfs/dbraw/zinc/75/69/19/416756919.db2.gz NIYLWQZYKVWYGC-KBPBESRZSA-N 2 2 303.472 0.861 10 0 DCAELP C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000568583724 417149670 /nfs/dbraw/zinc/14/96/70/417149670.db2.gz AUQARFSWDIRCOS-UHFFFAOYSA-N 2 2 301.350 0.437 10 0 DCAELP C[N@H+]1CCCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000568583724 417149677 /nfs/dbraw/zinc/14/96/77/417149677.db2.gz AUQARFSWDIRCOS-UHFFFAOYSA-N 2 2 301.350 0.437 10 0 DCAELP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000408390182 417157951 /nfs/dbraw/zinc/15/79/51/417157951.db2.gz RSDWJVOPSFXSLX-QWRGUYRKSA-N 2 2 305.382 0.592 10 0 DCAELP C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000408390182 417157959 /nfs/dbraw/zinc/15/79/59/417157959.db2.gz RSDWJVOPSFXSLX-QWRGUYRKSA-N 2 2 305.382 0.592 10 0 DCAELP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000329198258 278097855 /nfs/dbraw/zinc/09/78/55/278097855.db2.gz ALDQLUSBAXUTLF-MGPQQGTHSA-N 2 2 306.410 0.359 10 0 DCAELP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000329198258 278097856 /nfs/dbraw/zinc/09/78/56/278097856.db2.gz ALDQLUSBAXUTLF-MGPQQGTHSA-N 2 2 306.410 0.359 10 0 DCAELP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261912266 278191764 /nfs/dbraw/zinc/19/17/64/278191764.db2.gz JFCULTUUFDIFLY-VQHPVUNQSA-N 3 2 310.486 0.369 10 0 DCAELP Cc1nc2[nH]ccc2c(N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)[nH+]1 ZINC000333916215 282004444 /nfs/dbraw/zinc/00/44/44/282004444.db2.gz NECYCOMAVAYFIM-GFCCVEGCSA-N 2 2 314.393 0.667 10 0 DCAELP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000333287520 288853507 /nfs/dbraw/zinc/85/35/07/288853507.db2.gz NUFWKLPFOGZNAW-MJBXVCDLSA-N 2 2 305.426 0.623 10 0 DCAELP COC[C@H](C)NC(=O)NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123621166 293024835 /nfs/dbraw/zinc/02/48/35/293024835.db2.gz ZLNLGHIQMFWZAI-XQQFMLRXSA-N 2 2 314.430 0.262 10 0 DCAELP COC[C@H](C)NC(=O)NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123621166 293024836 /nfs/dbraw/zinc/02/48/36/293024836.db2.gz ZLNLGHIQMFWZAI-XQQFMLRXSA-N 2 2 314.430 0.262 10 0 DCAELP COC[C@H](C)NC(=O)NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123621166 293024837 /nfs/dbraw/zinc/02/48/37/293024837.db2.gz ZLNLGHIQMFWZAI-XQQFMLRXSA-N 2 2 314.430 0.262 10 0 DCAELP COC[C@H](C)NC(=O)NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123621166 293024838 /nfs/dbraw/zinc/02/48/38/293024838.db2.gz ZLNLGHIQMFWZAI-XQQFMLRXSA-N 2 2 314.430 0.262 10 0 DCAELP CCCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000105797700 519888606 /nfs/dbraw/zinc/88/86/06/519888606.db2.gz FLTAFNYAGIZJBC-CHWSQXEVSA-N 2 2 320.441 0.991 10 0 DCAELP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000189441424 522091824 /nfs/dbraw/zinc/09/18/24/522091824.db2.gz CEXJLHLEXKDGRF-QGZVFWFLSA-N 2 2 319.449 0.998 10 0 DCAELP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCC[N@H+]1CCCOCC1 ZINC000189441424 522091835 /nfs/dbraw/zinc/09/18/35/522091835.db2.gz CEXJLHLEXKDGRF-QGZVFWFLSA-N 2 2 319.449 0.998 10 0 DCAELP [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000261837234 545977825 /nfs/dbraw/zinc/97/78/25/545977825.db2.gz UOOSQILUKKIGAF-ZIAGYGMSSA-N 2 2 321.425 0.529 10 0 DCAELP O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000262379694 545985660 /nfs/dbraw/zinc/98/56/60/545985660.db2.gz WWXPWUDKFIEXFL-LSDHHAIUSA-N 2 2 300.362 0.242 10 0 DCAELP C[NH+](C)Cc1csc(CNS(=O)(=O)[C@@H]2CCC[NH2+]C2)n1 ZINC000722384175 661094625 /nfs/dbraw/zinc/09/46/25/661094625.db2.gz VGMGWEKZJUXTJO-LLVKDONJSA-N 2 2 318.468 0.376 10 0 DCAELP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000246160727 685161615 /nfs/dbraw/zinc/16/16/15/685161615.db2.gz AHFFGSAECICWIV-GVDBMIGSSA-N 2 2 317.433 0.992 10 0 DCAELP CC[C@@H](NC(=O)C1CC[NH+](CC(N)=O)CC1)c1[nH]cc(C)[nH+]1 ZINC000091931702 193127928 /nfs/dbraw/zinc/12/79/28/193127928.db2.gz HEFFWJOYYSHSFR-GFCCVEGCSA-N 2 2 307.398 0.483 10 0 DCAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)C1CCS(=O)(=O)CC1 ZINC000187050182 296127707 /nfs/dbraw/zinc/12/77/07/296127707.db2.gz DWOIWYHTQQPDDM-UKRRQHHQSA-N 2 2 318.483 0.636 10 0 DCAELP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000105215144 194084998 /nfs/dbraw/zinc/08/49/98/194084998.db2.gz SOGUVEXYIGPEQE-GXTWGEPZSA-N 2 2 309.414 0.457 10 0 DCAELP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000105215144 194085000 /nfs/dbraw/zinc/08/50/00/194085000.db2.gz SOGUVEXYIGPEQE-GXTWGEPZSA-N 2 2 309.414 0.457 10 0 DCAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NCCC(=O)OC)C1 ZINC000105896817 194162170 /nfs/dbraw/zinc/16/21/70/194162170.db2.gz MRMKNOXKPIEDEM-ZDUSSCGKSA-N 2 2 322.409 0.762 10 0 DCAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NCCC(=O)OC)C1 ZINC000105896817 194162173 /nfs/dbraw/zinc/16/21/73/194162173.db2.gz MRMKNOXKPIEDEM-ZDUSSCGKSA-N 2 2 322.409 0.762 10 0 DCAELP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000106582948 194234357 /nfs/dbraw/zinc/23/43/57/194234357.db2.gz LRLLFVSQHNHJLJ-JKSUJKDBSA-N 2 2 323.485 0.502 10 0 DCAELP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000106582948 194234360 /nfs/dbraw/zinc/23/43/60/194234360.db2.gz LRLLFVSQHNHJLJ-JKSUJKDBSA-N 2 2 323.485 0.502 10 0 DCAELP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000106582948 194234362 /nfs/dbraw/zinc/23/43/62/194234362.db2.gz LRLLFVSQHNHJLJ-JKSUJKDBSA-N 2 2 323.485 0.502 10 0 DCAELP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000106582948 194234364 /nfs/dbraw/zinc/23/43/64/194234364.db2.gz LRLLFVSQHNHJLJ-JKSUJKDBSA-N 2 2 323.485 0.502 10 0 DCAELP CC(=O)N1CC[NH+](CCNC(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000350946828 254330793 /nfs/dbraw/zinc/33/07/93/254330793.db2.gz CPQDWDPZBCSEPO-INIZCTEOSA-N 2 2 324.469 0.531 10 0 DCAELP CC(=O)N1CC[NH+](CCNC(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000350946828 254330794 /nfs/dbraw/zinc/33/07/94/254330794.db2.gz CPQDWDPZBCSEPO-INIZCTEOSA-N 2 2 324.469 0.531 10 0 DCAELP C[N@H+]1C[C@@H]2C[NH+](CC(=O)NC(=O)NCc3ccccc3)C[C@@H]2C1 ZINC000193611646 395773756 /nfs/dbraw/zinc/77/37/56/395773756.db2.gz UBIFRKRZJUNZQL-GASCZTMLSA-N 2 2 316.405 0.506 10 0 DCAELP C[N@@H+]1C[C@@H]2C[NH+](CC(=O)NC(=O)NCc3ccccc3)C[C@@H]2C1 ZINC000193611646 395773757 /nfs/dbraw/zinc/77/37/57/395773757.db2.gz UBIFRKRZJUNZQL-GASCZTMLSA-N 2 2 316.405 0.506 10 0 DCAELP C[NH+]1C[C@@H]2C[N@@H+](CC(=O)NC(=O)NCc3ccccc3)C[C@@H]2C1 ZINC000193611646 395773760 /nfs/dbraw/zinc/77/37/60/395773760.db2.gz UBIFRKRZJUNZQL-GASCZTMLSA-N 2 2 316.405 0.506 10 0 DCAELP C[NH+]1C[C@@H]2C[N@H+](CC(=O)NC(=O)NCc3ccccc3)C[C@@H]2C1 ZINC000193611646 395773761 /nfs/dbraw/zinc/77/37/61/395773761.db2.gz UBIFRKRZJUNZQL-GASCZTMLSA-N 2 2 316.405 0.506 10 0 DCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)CN1CCOCC1 ZINC000247196944 395968920 /nfs/dbraw/zinc/96/89/20/395968920.db2.gz WXCAEKICMSBPIQ-HOTGVXAUSA-N 2 2 308.426 0.349 10 0 DCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)CN1CCOCC1 ZINC000247196944 395968923 /nfs/dbraw/zinc/96/89/23/395968923.db2.gz WXCAEKICMSBPIQ-HOTGVXAUSA-N 2 2 308.426 0.349 10 0 DCAELP COC(=O)CNC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000151106355 395978473 /nfs/dbraw/zinc/97/84/73/395978473.db2.gz QAXNHRVAUOTNSE-LBPRGKRZSA-N 2 2 306.366 0.105 10 0 DCAELP COC(=O)CNC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000151106355 395978480 /nfs/dbraw/zinc/97/84/80/395978480.db2.gz QAXNHRVAUOTNSE-LBPRGKRZSA-N 2 2 306.366 0.105 10 0 DCAELP CC[C@@H]1CN(C(=O)NCCCn2cc[nH+]c2)CC[N@@H+]1C[C@H](C)O ZINC000248373993 395984861 /nfs/dbraw/zinc/98/48/61/395984861.db2.gz NDUPBBKWIQQFAM-LSDHHAIUSA-N 2 2 323.441 0.760 10 0 DCAELP CC[C@@H]1CN(C(=O)NCCCn2cc[nH+]c2)CC[N@H+]1C[C@H](C)O ZINC000248373993 395984866 /nfs/dbraw/zinc/98/48/66/395984866.db2.gz NDUPBBKWIQQFAM-LSDHHAIUSA-N 2 2 323.441 0.760 10 0 DCAELP C[C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)CC(=O)N2CC[NH2+]CC2)[C@@H]1C ZINC000261822599 396069370 /nfs/dbraw/zinc/06/93/70/396069370.db2.gz WRSLKPAPZMUFRR-RBSFLKMASA-N 2 2 324.469 0.291 10 0 DCAELP C[C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)[C@@H]1C ZINC000261822599 396069372 /nfs/dbraw/zinc/06/93/72/396069372.db2.gz WRSLKPAPZMUFRR-RBSFLKMASA-N 2 2 324.469 0.291 10 0 DCAELP COC[C@H]([NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000262320839 396123911 /nfs/dbraw/zinc/12/39/11/396123911.db2.gz QIGCGGMCQGLUMM-SCRDCRAPSA-N 2 2 322.409 0.285 10 0 DCAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262410917 396137509 /nfs/dbraw/zinc/13/75/09/396137509.db2.gz PFABYSDZNRXLPT-OCCSQVGLSA-N 2 2 302.378 0.574 10 0 DCAELP C[C@@]1(C[N@@H+]2CCCN(CC(=O)N3CCCC3)CC2)CC[NH2+]C1 ZINC000261939852 396081753 /nfs/dbraw/zinc/08/17/53/396081753.db2.gz DNIYVHNLDNDZGS-QGZVFWFLSA-N 2 2 308.470 0.616 10 0 DCAELP C[C@@]1(C[N@H+]2CCCN(CC(=O)N3CCCC3)CC2)CC[NH2+]C1 ZINC000261939852 396081755 /nfs/dbraw/zinc/08/17/55/396081755.db2.gz DNIYVHNLDNDZGS-QGZVFWFLSA-N 2 2 308.470 0.616 10 0 DCAELP CC[C@@H]1CN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC[N@@H+]1CCOC ZINC000263118261 396202131 /nfs/dbraw/zinc/20/21/31/396202131.db2.gz ATGVAYPYDZNUML-NEPJUHHUSA-N 2 2 305.369 0.553 10 0 DCAELP CC[C@@H]1CN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC[N@H+]1CCOC ZINC000263118261 396202133 /nfs/dbraw/zinc/20/21/33/396202133.db2.gz ATGVAYPYDZNUML-NEPJUHHUSA-N 2 2 305.369 0.553 10 0 DCAELP C[C@H](CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)[NH+]1CCOCC1 ZINC000182330634 396250040 /nfs/dbraw/zinc/25/00/40/396250040.db2.gz BRGSSOHJAMFKBA-OAGGEKHMSA-N 2 2 324.469 0.833 10 0 DCAELP C[C@H](CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)[NH+]1CCOCC1 ZINC000182330634 396250043 /nfs/dbraw/zinc/25/00/43/396250043.db2.gz BRGSSOHJAMFKBA-OAGGEKHMSA-N 2 2 324.469 0.833 10 0 DCAELP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)CC1 ZINC000581370210 396548726 /nfs/dbraw/zinc/54/87/26/396548726.db2.gz MWSGYLYVYDVGAX-WMLDXEAASA-N 2 2 322.453 0.141 10 0 DCAELP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)CC1 ZINC000581370210 396548730 /nfs/dbraw/zinc/54/87/30/396548730.db2.gz MWSGYLYVYDVGAX-WMLDXEAASA-N 2 2 322.453 0.141 10 0 DCAELP Cc1ncccc1O[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000364502258 397212537 /nfs/dbraw/zinc/21/25/37/397212537.db2.gz CRBBQQYVPGDPKP-OAHLLOKOSA-N 2 2 318.421 0.617 10 0 DCAELP Cc1ncccc1O[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000364502258 397212539 /nfs/dbraw/zinc/21/25/39/397212539.db2.gz CRBBQQYVPGDPKP-OAHLLOKOSA-N 2 2 318.421 0.617 10 0 DCAELP C[C@H](C(=O)N1CC[NH2+][C@@H](c2ccncc2)C1)N1CC[NH+](C)CC1 ZINC000407965574 397339738 /nfs/dbraw/zinc/33/97/38/397339738.db2.gz LTIACEWOMFRTJB-GDBMZVCRSA-N 2 2 317.437 0.190 10 0 DCAELP Cc1cccc(N2CCC(NC(=O)[C@@H]3C[N@H+](C)CCO3)CC2)[nH+]1 ZINC000081410781 158084770 /nfs/dbraw/zinc/08/47/70/158084770.db2.gz HQPWVZPYEXVEAO-HNNXBMFYSA-N 2 2 318.421 0.806 10 0 DCAELP Cc1cccc(N2CCC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)[nH+]1 ZINC000081410781 158084771 /nfs/dbraw/zinc/08/47/71/158084771.db2.gz HQPWVZPYEXVEAO-HNNXBMFYSA-N 2 2 318.421 0.806 10 0 DCAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC(=O)NC2CCOCC2)C1 ZINC000090004291 158101173 /nfs/dbraw/zinc/10/11/73/158101173.db2.gz PCKHMILPZLIXOK-AWEZNQCLSA-N 2 2 320.437 0.970 10 0 DCAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC(=O)NC2CCOCC2)C1 ZINC000090004291 158101175 /nfs/dbraw/zinc/10/11/75/158101175.db2.gz PCKHMILPZLIXOK-AWEZNQCLSA-N 2 2 320.437 0.970 10 0 DCAELP CN1CC[C@H]([NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1=O ZINC000119549505 158188601 /nfs/dbraw/zinc/18/86/01/158188601.db2.gz RQPHGFREFOZJAP-QXULXFAOSA-N 2 2 306.454 0.460 10 0 DCAELP CN1CC[C@H]([NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1=O ZINC000119549505 158188602 /nfs/dbraw/zinc/18/86/02/158188602.db2.gz RQPHGFREFOZJAP-QXULXFAOSA-N 2 2 306.454 0.460 10 0 DCAELP CN1CC[C@H](N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1=O ZINC000119549505 158188603 /nfs/dbraw/zinc/18/86/03/158188603.db2.gz RQPHGFREFOZJAP-QXULXFAOSA-N 2 2 306.454 0.460 10 0 DCAELP CN1CC[C@H](N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1=O ZINC000119549505 158188604 /nfs/dbraw/zinc/18/86/04/158188604.db2.gz RQPHGFREFOZJAP-QXULXFAOSA-N 2 2 306.454 0.460 10 0 DCAELP C[C@@H]1CN(C(=O)Cc2ccon2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000329116816 159064134 /nfs/dbraw/zinc/06/41/34/159064134.db2.gz UFTWHQOHPHZRPM-CYBMUJFWSA-N 2 2 306.410 0.844 10 0 DCAELP C[C@@H]1CN(C(=O)Cc2ccon2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000329116816 159064136 /nfs/dbraw/zinc/06/41/36/159064136.db2.gz UFTWHQOHPHZRPM-CYBMUJFWSA-N 2 2 306.410 0.844 10 0 DCAELP C[N@@H+]1CCO[C@H](CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000107847357 415672291 /nfs/dbraw/zinc/67/22/91/415672291.db2.gz KDOHUCCQEUFAHE-JKSUJKDBSA-N 2 2 324.469 0.977 10 0 DCAELP C[N@H+]1CCO[C@H](CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000107847357 415672297 /nfs/dbraw/zinc/67/22/97/415672297.db2.gz KDOHUCCQEUFAHE-JKSUJKDBSA-N 2 2 324.469 0.977 10 0 DCAELP C[C@]1(F)C[NH2+]CCN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)C1 ZINC000333880736 415758770 /nfs/dbraw/zinc/75/87/70/415758770.db2.gz DKHARHQYOILKLX-DOMZBBRYSA-N 2 2 309.389 0.576 10 0 DCAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)N2CCC[C@H](C(N)=O)C2)CC[N@@H+]1C ZINC000123725318 415842606 /nfs/dbraw/zinc/84/26/06/415842606.db2.gz SKDCLVLCEZEELB-HZSPNIEDSA-N 2 2 310.442 0.125 10 0 DCAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)N2CCC[C@H](C(N)=O)C2)CC[N@H+]1C ZINC000123725318 415842611 /nfs/dbraw/zinc/84/26/11/415842611.db2.gz SKDCLVLCEZEELB-HZSPNIEDSA-N 2 2 310.442 0.125 10 0 DCAELP C[C@@H]1C[C@H]([N@H+](C)CC(=O)N2CCC[C@H](C(N)=O)C2)CC[NH+]1C ZINC000123725318 415842617 /nfs/dbraw/zinc/84/26/17/415842617.db2.gz SKDCLVLCEZEELB-HZSPNIEDSA-N 2 2 310.442 0.125 10 0 DCAELP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)N2CCC[C@H](C(N)=O)C2)CC[NH+]1C ZINC000123725318 415842623 /nfs/dbraw/zinc/84/26/23/415842623.db2.gz SKDCLVLCEZEELB-HZSPNIEDSA-N 2 2 310.442 0.125 10 0 DCAELP CC[N@@H+]1CC[C@@H](NC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000334117484 415810371 /nfs/dbraw/zinc/81/03/71/415810371.db2.gz IJBCDWBLLJZVJJ-ZIAGYGMSSA-N 2 2 320.441 0.512 10 0 DCAELP CC[N@H+]1CC[C@@H](NC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000334117484 415810378 /nfs/dbraw/zinc/81/03/78/415810378.db2.gz IJBCDWBLLJZVJJ-ZIAGYGMSSA-N 2 2 320.441 0.512 10 0 DCAELP CC(=O)N1CCN(C(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000173527821 416060991 /nfs/dbraw/zinc/06/09/91/416060991.db2.gz WAZMLKFGNYBCJG-HIFRSBDPSA-N 2 2 310.442 0.092 10 0 DCAELP CC(=O)N1CCN(C(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000173527821 416060993 /nfs/dbraw/zinc/06/09/93/416060993.db2.gz WAZMLKFGNYBCJG-HIFRSBDPSA-N 2 2 310.442 0.092 10 0 DCAELP CC(=O)N1CCN(C(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)CC1 ZINC000173527821 416060994 /nfs/dbraw/zinc/06/09/94/416060994.db2.gz WAZMLKFGNYBCJG-HIFRSBDPSA-N 2 2 310.442 0.092 10 0 DCAELP CC(=O)N1CCN(C(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)CC1 ZINC000173527821 416060996 /nfs/dbraw/zinc/06/09/96/416060996.db2.gz WAZMLKFGNYBCJG-HIFRSBDPSA-N 2 2 310.442 0.092 10 0 DCAELP C[NH+](C)Cc1cc(CNC(=O)[C@@H]2C[N@H+](C)CCO2)ccc1F ZINC000174880641 416091197 /nfs/dbraw/zinc/09/11/97/416091197.db2.gz IEWMRQVSNQSPOH-HNNXBMFYSA-N 2 2 309.385 0.834 10 0 DCAELP C[NH+](C)Cc1cc(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)ccc1F ZINC000174880641 416091202 /nfs/dbraw/zinc/09/12/02/416091202.db2.gz IEWMRQVSNQSPOH-HNNXBMFYSA-N 2 2 309.385 0.834 10 0 DCAELP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCC[NH+]1CCOCC1 ZINC000175513575 416109495 /nfs/dbraw/zinc/10/94/95/416109495.db2.gz OXYVNFJNZPCMSE-OAHLLOKOSA-N 2 2 321.425 0.698 10 0 DCAELP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000176395965 416126377 /nfs/dbraw/zinc/12/63/77/416126377.db2.gz NPZXNVIKAPZZDX-OAGGEKHMSA-N 2 2 324.469 0.975 10 0 DCAELP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000176395965 416126381 /nfs/dbraw/zinc/12/63/81/416126381.db2.gz NPZXNVIKAPZZDX-OAGGEKHMSA-N 2 2 324.469 0.975 10 0 DCAELP CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)CC1 ZINC000367846987 416653561 /nfs/dbraw/zinc/65/35/61/416653561.db2.gz OAERNPFDGQYRFR-RHSMWYFYSA-N 2 2 322.453 0.093 10 0 DCAELP CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)CC1 ZINC000367846987 416653565 /nfs/dbraw/zinc/65/35/65/416653565.db2.gz OAERNPFDGQYRFR-RHSMWYFYSA-N 2 2 322.453 0.093 10 0 DCAELP CC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC000367846987 416653568 /nfs/dbraw/zinc/65/35/68/416653568.db2.gz OAERNPFDGQYRFR-RHSMWYFYSA-N 2 2 322.453 0.093 10 0 DCAELP CC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000367846987 416653571 /nfs/dbraw/zinc/65/35/71/416653571.db2.gz OAERNPFDGQYRFR-RHSMWYFYSA-N 2 2 322.453 0.093 10 0 DCAELP CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCCCC[C@@H]([NH3+])C2)C1 ZINC000631834034 416756370 /nfs/dbraw/zinc/75/63/70/416756370.db2.gz NIYLWQZYKVWYGC-ZIAGYGMSSA-N 2 2 303.472 0.861 10 0 DCAELP CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCCCC[C@@H]([NH3+])C2)C1 ZINC000631834034 416756376 /nfs/dbraw/zinc/75/63/76/416756376.db2.gz NIYLWQZYKVWYGC-ZIAGYGMSSA-N 2 2 303.472 0.861 10 0 DCAELP C(C[NH+]1CCOCC1)N1CCC([NH2+][C@H]2CO[C@H](C3CC3)C2)CC1 ZINC000624221760 416984313 /nfs/dbraw/zinc/98/43/13/416984313.db2.gz HOOSDDQQJUAGTN-MSOLQXFVSA-N 2 2 323.481 0.940 10 0 DCAELP C(C[NH+]1CCC([NH2+][C@H]2CO[C@H](C3CC3)C2)CC1)N1CCOCC1 ZINC000624221760 416984320 /nfs/dbraw/zinc/98/43/20/416984320.db2.gz HOOSDDQQJUAGTN-MSOLQXFVSA-N 2 2 323.481 0.940 10 0 DCAELP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000176893746 276179902 /nfs/dbraw/zinc/17/99/02/276179902.db2.gz LXVVVXJSKUPATP-LBPRGKRZSA-N 2 2 320.393 0.971 10 0 DCAELP CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000176893746 276179903 /nfs/dbraw/zinc/17/99/03/276179903.db2.gz LXVVVXJSKUPATP-LBPRGKRZSA-N 2 2 320.393 0.971 10 0 DCAELP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173799087 276338701 /nfs/dbraw/zinc/33/87/01/276338701.db2.gz IOICCCTWFRLYNH-HUUCEWRRSA-N 2 2 312.458 0.833 10 0 DCAELP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2n2cccn2)CC1 ZINC000127866286 276918064 /nfs/dbraw/zinc/91/80/64/276918064.db2.gz CZYISAQAWVFGGV-HUUCEWRRSA-N 2 2 305.426 0.730 10 0 DCAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC000174816806 278074816 /nfs/dbraw/zinc/07/48/16/278074816.db2.gz BTUGWQZMEDZURL-CQSZACIVSA-N 2 2 306.410 0.759 10 0 DCAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC000174816806 278074820 /nfs/dbraw/zinc/07/48/20/278074820.db2.gz BTUGWQZMEDZURL-CQSZACIVSA-N 2 2 306.410 0.759 10 0 DCAELP Cc1ccc([C@@H]([NH3+])C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000262509343 278844688 /nfs/dbraw/zinc/84/46/88/278844688.db2.gz MUPYAWDDJIICGA-JKSUJKDBSA-N 2 2 303.406 0.928 10 0 DCAELP CC(C)C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH+]1CCOCC1 ZINC000174508783 279159485 /nfs/dbraw/zinc/15/94/85/279159485.db2.gz RGJXWULMOAAXRI-CABCVRRESA-N 2 2 313.442 0.180 10 0 DCAELP CC(C)C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCOCC1 ZINC000174508783 279159487 /nfs/dbraw/zinc/15/94/87/279159487.db2.gz RGJXWULMOAAXRI-CABCVRRESA-N 2 2 313.442 0.180 10 0 DCAELP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CCOCC1 ZINC000261919474 289059754 /nfs/dbraw/zinc/05/97/54/289059754.db2.gz KBKXSRIZXMWLFF-ARFHVFGLSA-N 3 2 311.470 0.844 10 0 DCAELP Cn1cc(N2CCC[C@@H]([N@@H+]3CC[C@H]([NH3+])C(C)(C)C3)C2=O)cn1 ZINC000261815359 294245699 /nfs/dbraw/zinc/24/56/99/294245699.db2.gz XIELCCVSYNTXEF-KGLIPLIRSA-N 2 2 305.426 0.975 10 0 DCAELP Cn1cc(N2CCC[C@@H]([N@H+]3CC[C@H]([NH3+])C(C)(C)C3)C2=O)cn1 ZINC000261815359 294245703 /nfs/dbraw/zinc/24/57/03/294245703.db2.gz XIELCCVSYNTXEF-KGLIPLIRSA-N 2 2 305.426 0.975 10 0 DCAELP O=C(NC[C@@H]1CCc2[nH+]ccn2C1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897466861 662763217 /nfs/dbraw/zinc/76/32/17/662763217.db2.gz DFWXQLAWGLSRTQ-JSGCOSHPSA-N 2 2 304.394 0.282 10 0 DCAELP CN(C)c1[nH+]cc(CN2C[C@@H]([NH+](C)C)[C@@H](n3ccnn3)C2)n1C ZINC000862498101 667046677 /nfs/dbraw/zinc/04/66/77/667046677.db2.gz VWQCUWCSAULMNO-KGLIPLIRSA-N 2 2 318.429 0.065 10 0 DCAELP COCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000381962715 685239553 /nfs/dbraw/zinc/23/95/53/685239553.db2.gz HOWOOBDEWUBSFG-HZPDHXFCSA-N 2 2 321.421 0.367 10 0 DCAELP COCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000381962715 685239562 /nfs/dbraw/zinc/23/95/62/685239562.db2.gz HOWOOBDEWUBSFG-HZPDHXFCSA-N 2 2 321.421 0.367 10 0 DCAELP C[C@H](NC(=O)N1CCC2(CC[NH2+]C2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000333132157 299085730 /nfs/dbraw/zinc/08/57/30/299085730.db2.gz BWASTTOAUHHSJW-GJZGRUSLSA-N 2 2 324.469 0.881 10 0 DCAELP OC[C@H]1CCCN1c1cc(N2CC[N@@H+]3CCC[C@@H]3C2)nc[nH+]1 ZINC000171939306 198011793 /nfs/dbraw/zinc/01/17/93/198011793.db2.gz NFAYIHXTBPBEGG-ZIAGYGMSSA-N 2 2 303.410 0.722 10 0 DCAELP OC[C@H]1CCCN1c1cc(N2CC[N@H+]3CCC[C@@H]3C2)nc[nH+]1 ZINC000171939306 198011794 /nfs/dbraw/zinc/01/17/94/198011794.db2.gz NFAYIHXTBPBEGG-ZIAGYGMSSA-N 2 2 303.410 0.722 10 0 DCAELP C[N@@H+](CC(=O)NC(N)=O)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174400182 198330880 /nfs/dbraw/zinc/33/08/80/198330880.db2.gz FABSLHDPMKSQGJ-AWEZNQCLSA-N 2 2 304.394 0.635 10 0 DCAELP C[N@H+](CC(=O)NC(N)=O)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174400182 198330881 /nfs/dbraw/zinc/33/08/81/198330881.db2.gz FABSLHDPMKSQGJ-AWEZNQCLSA-N 2 2 304.394 0.635 10 0 DCAELP C[NH+](CC(=O)NC(N)=O)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174400182 198330883 /nfs/dbraw/zinc/33/08/83/198330883.db2.gz FABSLHDPMKSQGJ-AWEZNQCLSA-N 2 2 304.394 0.635 10 0 DCAELP C[NH+](CC(=O)NC(N)=O)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174400182 198330886 /nfs/dbraw/zinc/33/08/86/198330886.db2.gz FABSLHDPMKSQGJ-AWEZNQCLSA-N 2 2 304.394 0.635 10 0 DCAELP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H](C)[NH+]2CCOCC2)C1 ZINC000175008318 284778248 /nfs/dbraw/zinc/77/82/48/284778248.db2.gz AQOOXGABKRXORB-HUUCEWRRSA-N 2 2 312.458 0.833 10 0 DCAELP CCS(=O)(=O)NCC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000109327055 194257584 /nfs/dbraw/zinc/25/75/84/194257584.db2.gz UFURNYGJQNPTKR-CYBMUJFWSA-N 2 2 312.439 0.755 10 0 DCAELP CCS(=O)(=O)NCC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000109327055 194257585 /nfs/dbraw/zinc/25/75/85/194257585.db2.gz UFURNYGJQNPTKR-CYBMUJFWSA-N 2 2 312.439 0.755 10 0 DCAELP COc1cc(C[NH2+]CCCn2cc[nH+]c2)ccc1OCC(N)=O ZINC000010314009 395686031 /nfs/dbraw/zinc/68/60/31/395686031.db2.gz MWGQPTOIOUCLHL-UHFFFAOYSA-N 2 2 318.377 0.936 10 0 DCAELP CC[NH+](CC)[C@H](C)CNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000105125022 395780381 /nfs/dbraw/zinc/78/03/81/395780381.db2.gz UDYWWXRZMJJDDY-CQSZACIVSA-N 2 2 300.447 0.690 10 0 DCAELP COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000245713680 395935350 /nfs/dbraw/zinc/93/53/50/395935350.db2.gz ZXEGTJHHRNIGOI-ILXRZTDVSA-N 2 2 323.437 0.567 10 0 DCAELP COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000245713680 395935353 /nfs/dbraw/zinc/93/53/53/395935353.db2.gz ZXEGTJHHRNIGOI-ILXRZTDVSA-N 2 2 323.437 0.567 10 0 DCAELP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000245889631 395937719 /nfs/dbraw/zinc/93/77/19/395937719.db2.gz NPZXNVIKAPZZDX-XHSDSOJGSA-N 2 2 324.469 0.975 10 0 DCAELP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000245889631 395937721 /nfs/dbraw/zinc/93/77/21/395937721.db2.gz NPZXNVIKAPZZDX-XHSDSOJGSA-N 2 2 324.469 0.975 10 0 DCAELP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000247259581 395970626 /nfs/dbraw/zinc/97/06/26/395970626.db2.gz AZVKCWWFIUSPQI-LSDHHAIUSA-N 2 2 312.458 0.689 10 0 DCAELP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000247259581 395970629 /nfs/dbraw/zinc/97/06/29/395970629.db2.gz AZVKCWWFIUSPQI-LSDHHAIUSA-N 2 2 312.458 0.689 10 0 DCAELP CC1CCC(N(C)C(=O)C[N@H+](C)CC(=O)N2CC[NH2+]CC2)CC1 ZINC000261795779 396066952 /nfs/dbraw/zinc/06/69/52/396066952.db2.gz UKCNPNPMNRNZJR-UHFFFAOYSA-N 2 2 324.469 0.387 10 0 DCAELP CC1CCC(N(C)C(=O)C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)CC1 ZINC000261795779 396066955 /nfs/dbraw/zinc/06/69/55/396066955.db2.gz UKCNPNPMNRNZJR-UHFFFAOYSA-N 2 2 324.469 0.387 10 0 DCAELP C[C@H](NC(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1)c1cccs1 ZINC000261817030 396068526 /nfs/dbraw/zinc/06/85/26/396068526.db2.gz AKMDHXZSJXDIHT-LBPRGKRZSA-N 2 2 324.450 0.289 10 0 DCAELP C[C@H](NC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1)c1cccs1 ZINC000261817030 396068528 /nfs/dbraw/zinc/06/85/28/396068528.db2.gz AKMDHXZSJXDIHT-LBPRGKRZSA-N 2 2 324.450 0.289 10 0 DCAELP [NH3+]CC[N@H+](CCC(=O)N1CC[NH2+]CC1)CCc1ccccc1 ZINC000262074768 396095912 /nfs/dbraw/zinc/09/59/12/396095912.db2.gz KFNHDKMGUZFYIX-UHFFFAOYSA-N 3 2 304.438 0.312 10 0 DCAELP [NH3+]CC[N@@H+](CCC(=O)N1CC[NH2+]CC1)CCc1ccccc1 ZINC000262074768 396095916 /nfs/dbraw/zinc/09/59/16/396095916.db2.gz KFNHDKMGUZFYIX-UHFFFAOYSA-N 3 2 304.438 0.312 10 0 DCAELP O=C(NCc1[nH+]ccn1CCc1ccccc1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262342407 396126902 /nfs/dbraw/zinc/12/69/02/396126902.db2.gz ALOAPKQYIDRJEJ-CABCVRRESA-N 2 2 314.389 0.465 10 0 DCAELP Cc1cccc(NC(=O)C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000262567365 396156212 /nfs/dbraw/zinc/15/62/12/396156212.db2.gz WXQGYCGFEFQVLH-MRXNPFEDSA-N 2 2 302.422 0.913 10 0 DCAELP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263072384 396200466 /nfs/dbraw/zinc/20/04/66/396200466.db2.gz WQVRHLFHMOPDBH-WDEREUQCSA-N 2 2 319.352 0.079 10 0 DCAELP O=C([C@H]1CC(F)(F)C[NH2+]1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000263110264 396201778 /nfs/dbraw/zinc/20/17/78/396201778.db2.gz AFAYTUIIWAVJIJ-NWDGAFQWSA-N 2 2 303.353 0.164 10 0 DCAELP O=C([C@H]1CC(F)(F)C[NH2+]1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000263110266 396202073 /nfs/dbraw/zinc/20/20/73/396202073.db2.gz AFAYTUIIWAVJIJ-VXGBXAGGSA-N 2 2 303.353 0.164 10 0 DCAELP c1cn(CCC[NH+]2CCN(c3ccc4nncn4n3)CC2)c[nH+]1 ZINC000183174795 396263950 /nfs/dbraw/zinc/26/39/50/396263950.db2.gz RTUDGELQCGOGPD-UHFFFAOYSA-N 2 2 312.381 0.533 10 0 DCAELP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282223198 396273842 /nfs/dbraw/zinc/27/38/42/396273842.db2.gz YXEUJCSXDFGHPB-NWDGAFQWSA-N 2 2 319.409 0.982 10 0 DCAELP C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282223198 396273845 /nfs/dbraw/zinc/27/38/45/396273845.db2.gz YXEUJCSXDFGHPB-NWDGAFQWSA-N 2 2 319.409 0.982 10 0 DCAELP C[C@@H](O)CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000192508409 396432132 /nfs/dbraw/zinc/43/21/32/396432132.db2.gz NALPFFGABDVAAX-CQSZACIVSA-N 2 2 312.458 0.617 10 0 DCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)CC[S@@](C)=O)CC2)CC1 ZINC000127457708 158273339 /nfs/dbraw/zinc/27/33/39/158273339.db2.gz HAZKFDGQUFGVEW-NRFANRHFSA-N 2 2 315.483 0.430 10 0 DCAELP CC[N@H+](CC(=O)N1CCC[NH+](Cc2cnn(C)c2)CC1)C1CC1 ZINC000132172329 158307931 /nfs/dbraw/zinc/30/79/31/158307931.db2.gz GILBOMCLWDLRHG-UHFFFAOYSA-N 2 2 319.453 0.939 10 0 DCAELP CC[N@@H+](CC(=O)N1CCC[NH+](Cc2cnn(C)c2)CC1)C1CC1 ZINC000132172329 158307934 /nfs/dbraw/zinc/30/79/34/158307934.db2.gz GILBOMCLWDLRHG-UHFFFAOYSA-N 2 2 319.453 0.939 10 0 DCAELP CC[NH+](CC(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1)C1CC1 ZINC000132172329 158307939 /nfs/dbraw/zinc/30/79/39/158307939.db2.gz GILBOMCLWDLRHG-UHFFFAOYSA-N 2 2 319.453 0.939 10 0 DCAELP CC[NH+](CC(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1)C1CC1 ZINC000132172329 158307940 /nfs/dbraw/zinc/30/79/40/158307940.db2.gz GILBOMCLWDLRHG-UHFFFAOYSA-N 2 2 319.453 0.939 10 0 DCAELP O=C(N1CC[NH+](C[C@H](O)c2ccccc2)CC1)[C@]1(F)CC[NH2+]C1 ZINC000167975264 158371111 /nfs/dbraw/zinc/37/11/11/158371111.db2.gz XAXNQODQLGBEDQ-RDJZCZTQSA-N 2 2 321.396 0.566 10 0 DCAELP C[C@@]1(F)C[NH2+]CCN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)C1 ZINC000333880752 415758748 /nfs/dbraw/zinc/75/87/48/415758748.db2.gz DKHARHQYOILKLX-IUODEOHRSA-N 2 2 309.389 0.576 10 0 DCAELP C[C@H](CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)[NH+]1CCOCC1 ZINC000174157454 416074024 /nfs/dbraw/zinc/07/40/24/416074024.db2.gz QZNPXNWCYCYMKJ-CVEARBPZSA-N 2 2 324.469 0.834 10 0 DCAELP Cn1cc([C@@H]2C[NH2+]CCN2C(=O)Cc2cn3ccccc3[nH+]2)cn1 ZINC000181328086 416205615 /nfs/dbraw/zinc/20/56/15/416205615.db2.gz SEMMDGFYYGKTKM-HNNXBMFYSA-N 2 2 324.388 0.783 10 0 DCAELP CC[C@H](O)C[NH+]1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000183563683 416245428 /nfs/dbraw/zinc/24/54/28/416245428.db2.gz MNHAPMMIGMAOKQ-ZDUSSCGKSA-N 2 2 306.410 0.676 10 0 DCAELP C[C@@H](CNC(=O)c1c[nH+]ccc1N(C)C)C[NH+]1CCN(C)CC1 ZINC000183570667 416246232 /nfs/dbraw/zinc/24/62/32/416246232.db2.gz FZPGNLQJSJJTLR-AWEZNQCLSA-N 2 2 319.453 0.761 10 0 DCAELP C[N@H+](CC(=O)N1CC[NH2+]CC1)[C@@H]1CCc2ccccc2NC1=O ZINC000261909838 416336025 /nfs/dbraw/zinc/33/60/25/416336025.db2.gz QBDCHHJLTQFUMU-OAHLLOKOSA-N 2 2 316.405 0.304 10 0 DCAELP C[N@@H+](CC(=O)N1CC[NH2+]CC1)[C@@H]1CCc2ccccc2NC1=O ZINC000261909838 416336026 /nfs/dbraw/zinc/33/60/26/416336026.db2.gz QBDCHHJLTQFUMU-OAHLLOKOSA-N 2 2 316.405 0.304 10 0 DCAELP CC(C)C[N@@H+]1CCO[C@@H](CNc2nc3c(cnn3C)c(N)[nH+]2)C1 ZINC000195178925 416325519 /nfs/dbraw/zinc/32/55/19/416325519.db2.gz HDAMRUSZHSJFIK-NSHDSACASA-N 2 2 319.413 0.714 10 0 DCAELP CC(C)C[N@H+]1CCO[C@@H](CNc2nc3c(cnn3C)c(N)[nH+]2)C1 ZINC000195178925 416325520 /nfs/dbraw/zinc/32/55/20/416325520.db2.gz HDAMRUSZHSJFIK-NSHDSACASA-N 2 2 319.413 0.714 10 0 DCAELP CN(C)c1nc(N2CC[NH+](CCc3cn[nH]c3)CC2)cc[nH+]1 ZINC000459348946 416535920 /nfs/dbraw/zinc/53/59/20/416535920.db2.gz XJBMNKSIVFLATE-UHFFFAOYSA-N 2 2 301.398 0.630 10 0 DCAELP Cc1cnc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)nc1 ZINC000543711743 416643366 /nfs/dbraw/zinc/64/33/66/416643366.db2.gz GFHXNUTWKGJQJY-UHFFFAOYSA-N 2 2 306.410 0.444 10 0 DCAELP O=C(NCCNc1cc[nH+]cc1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000568791088 417179095 /nfs/dbraw/zinc/17/90/95/417179095.db2.gz XOGDNWKAGWUBMT-UHFFFAOYSA-N 2 2 324.344 0.318 10 0 DCAELP Cc1[nH+]ccn1-c1cncc(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000301969461 230012305 /nfs/dbraw/zinc/01/23/05/230012305.db2.gz BRSITHQIBFUYPX-STQMWFEESA-N 2 2 300.366 0.490 10 0 DCAELP Cc1[nH+]ccn1-c1cncc(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC000301969461 230012309 /nfs/dbraw/zinc/01/23/09/230012309.db2.gz BRSITHQIBFUYPX-STQMWFEESA-N 2 2 300.366 0.490 10 0 DCAELP Cn1cc[nH+]c1CN1CCN(c2cc[nH+]cc2C(N)=O)CC1 ZINC000302033256 230049154 /nfs/dbraw/zinc/04/91/54/230049154.db2.gz OCMCPSOXFSYXHT-UHFFFAOYSA-N 2 2 300.366 0.236 10 0 DCAELP C[N@H+]1C[C@@H]2C[NH+](CCN3C(=O)NC4(CCCC4)C3=O)C[C@@H]2C1 ZINC000193616116 277198034 /nfs/dbraw/zinc/19/80/34/277198034.db2.gz SNNVEXMRXRSQEM-BETUJISGSA-N 2 2 306.410 0.344 10 0 DCAELP C[N@@H+]1C[C@@H]2C[NH+](CCN3C(=O)NC4(CCCC4)C3=O)C[C@@H]2C1 ZINC000193616116 277198035 /nfs/dbraw/zinc/19/80/35/277198035.db2.gz SNNVEXMRXRSQEM-BETUJISGSA-N 2 2 306.410 0.344 10 0 DCAELP C[NH+]1C[C@@H]2C[N@@H+](CCN3C(=O)NC4(CCCC4)C3=O)C[C@@H]2C1 ZINC000193616116 277198036 /nfs/dbraw/zinc/19/80/36/277198036.db2.gz SNNVEXMRXRSQEM-BETUJISGSA-N 2 2 306.410 0.344 10 0 DCAELP C[NH+]1C[C@@H]2C[N@H+](CCN3C(=O)NC4(CCCC4)C3=O)C[C@@H]2C1 ZINC000193616116 277198037 /nfs/dbraw/zinc/19/80/37/277198037.db2.gz SNNVEXMRXRSQEM-BETUJISGSA-N 2 2 306.410 0.344 10 0 DCAELP CC[C@H]1CCCCN1C(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000261985353 288190080 /nfs/dbraw/zinc/19/00/80/288190080.db2.gz SAFPFBAFNXQLMX-AWEZNQCLSA-N 2 2 310.442 0.141 10 0 DCAELP CC[C@H]1CCCCN1C(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000261985353 288190081 /nfs/dbraw/zinc/19/00/81/288190081.db2.gz SAFPFBAFNXQLMX-AWEZNQCLSA-N 2 2 310.442 0.141 10 0 DCAELP C[C@@]([NH3+])(C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC000237364624 289109737 /nfs/dbraw/zinc/10/97/37/289109737.db2.gz RLMXRFMCLOOUBJ-RDJZCZTQSA-N 2 2 303.406 0.794 10 0 DCAELP COC(=O)Cn1cc(CC[NH+]2CCC([NH+]3CCCC3)CC2)nn1 ZINC000156186532 523390702 /nfs/dbraw/zinc/39/07/02/523390702.db2.gz UKDYTWLYWUOVBV-UHFFFAOYSA-N 2 2 321.425 0.554 10 0 DCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CN1C(=O)C(=O)N(C)C1=O ZINC000176078956 657803312 /nfs/dbraw/zinc/80/33/12/657803312.db2.gz DWIHULUMLXZUTC-NSHDSACASA-N 2 2 305.338 0.034 10 0 DCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CN1C(=O)C(=O)N(C)C1=O ZINC000176078956 657803318 /nfs/dbraw/zinc/80/33/18/657803318.db2.gz DWIHULUMLXZUTC-NSHDSACASA-N 2 2 305.338 0.034 10 0 DCAELP CC(C)(C)S(=O)(=O)CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261912184 661820275 /nfs/dbraw/zinc/82/02/75/661820275.db2.gz JEBYAEJUYDFPHF-MGPQQGTHSA-N 2 2 318.483 0.946 10 0 DCAELP CC[C@@H]1CN(C(=O)NCCCn2cc[nH+]c2)CC[N@@H+]1C[C@@H](C)O ZINC000181525619 199311099 /nfs/dbraw/zinc/31/10/99/199311099.db2.gz NDUPBBKWIQQFAM-HUUCEWRRSA-N 2 2 323.441 0.760 10 0 DCAELP CC[C@@H]1CN(C(=O)NCCCn2cc[nH+]c2)CC[N@H+]1C[C@@H](C)O ZINC000181525619 199311101 /nfs/dbraw/zinc/31/11/01/199311101.db2.gz NDUPBBKWIQQFAM-HUUCEWRRSA-N 2 2 323.441 0.760 10 0 DCAELP CC[C@H](O)C[NH+]1CCN(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000181527639 199311456 /nfs/dbraw/zinc/31/14/56/199311456.db2.gz ZUGOCHHFVWKBHA-AWEZNQCLSA-N 2 2 309.414 0.371 10 0 DCAELP C[N@@H+]1CCO[C@H]2CCN(C(=O)NCC3([NH3+])CCCCC3)C[C@H]21 ZINC000333884817 283026252 /nfs/dbraw/zinc/02/62/52/283026252.db2.gz WXTZODXMGLGTGS-KGLIPLIRSA-N 2 2 310.442 0.763 10 0 DCAELP C[N@H+]1CCO[C@H]2CCN(C(=O)NCC3([NH3+])CCCCC3)C[C@H]21 ZINC000333884817 283026253 /nfs/dbraw/zinc/02/62/53/283026253.db2.gz WXTZODXMGLGTGS-KGLIPLIRSA-N 2 2 310.442 0.763 10 0 DCAELP O=c1cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)nc(-c2cnccn2)[nH]1 ZINC000073696144 191343091 /nfs/dbraw/zinc/34/30/91/191343091.db2.gz CZKPKAWPFHOKDC-LLVKDONJSA-N 2 2 300.366 0.316 10 0 DCAELP C[C@@H](c1nnnn1C)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000189721254 296247196 /nfs/dbraw/zinc/24/71/96/296247196.db2.gz IADWZPJFXHDJTH-KBPBESRZSA-N 2 2 307.446 0.373 10 0 DCAELP C[C@@H](c1nnnn1C)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000189721254 296247199 /nfs/dbraw/zinc/24/71/99/296247199.db2.gz IADWZPJFXHDJTH-KBPBESRZSA-N 2 2 307.446 0.373 10 0 DCAELP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000105148579 194080019 /nfs/dbraw/zinc/08/00/19/194080019.db2.gz QLUGDPRHPLRQAU-HNNXBMFYSA-N 2 2 314.474 0.936 10 0 DCAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000105845809 194145942 /nfs/dbraw/zinc/14/59/42/194145942.db2.gz FZEQODPDWBCREW-IRXDYDNUSA-N 2 2 311.470 0.892 10 0 DCAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000105845809 194145944 /nfs/dbraw/zinc/14/59/44/194145944.db2.gz FZEQODPDWBCREW-IRXDYDNUSA-N 2 2 311.470 0.892 10 0 DCAELP C[N@H+]1C[C@@H]2C[NH+](CC(=O)NC(=O)NCc3cccs3)C[C@@H]2C1 ZINC000193637344 395775482 /nfs/dbraw/zinc/77/54/82/395775482.db2.gz UUYYVXDMOSTWRF-TXEJJXNPSA-N 2 2 322.434 0.567 10 0 DCAELP C[N@@H+]1C[C@@H]2C[NH+](CC(=O)NC(=O)NCc3cccs3)C[C@@H]2C1 ZINC000193637344 395775484 /nfs/dbraw/zinc/77/54/84/395775484.db2.gz UUYYVXDMOSTWRF-TXEJJXNPSA-N 2 2 322.434 0.567 10 0 DCAELP C[NH+]1C[C@@H]2C[N@@H+](CC(=O)NC(=O)NCc3cccs3)C[C@@H]2C1 ZINC000193637344 395775487 /nfs/dbraw/zinc/77/54/87/395775487.db2.gz UUYYVXDMOSTWRF-TXEJJXNPSA-N 2 2 322.434 0.567 10 0 DCAELP C[NH+]1C[C@@H]2C[N@H+](CC(=O)NC(=O)NCc3cccs3)C[C@@H]2C1 ZINC000193637344 395775490 /nfs/dbraw/zinc/77/54/90/395775490.db2.gz UUYYVXDMOSTWRF-TXEJJXNPSA-N 2 2 322.434 0.567 10 0 DCAELP CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000064508622 395987781 /nfs/dbraw/zinc/98/77/81/395987781.db2.gz VSJQJMWVVDTCSE-OAHLLOKOSA-N 2 2 322.453 0.282 10 0 DCAELP CN(C)C(=O)[C@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000064508622 395987782 /nfs/dbraw/zinc/98/77/82/395987782.db2.gz VSJQJMWVVDTCSE-OAHLLOKOSA-N 2 2 322.453 0.282 10 0 DCAELP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000155542598 396053909 /nfs/dbraw/zinc/05/39/09/396053909.db2.gz JDOLHOLHNZDUCW-CABCVRRESA-N 2 2 312.458 0.737 10 0 DCAELP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000155542598 396053912 /nfs/dbraw/zinc/05/39/12/396053912.db2.gz JDOLHOLHNZDUCW-CABCVRRESA-N 2 2 312.458 0.737 10 0 DCAELP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000155542598 396053914 /nfs/dbraw/zinc/05/39/14/396053914.db2.gz JDOLHOLHNZDUCW-CABCVRRESA-N 2 2 312.458 0.737 10 0 DCAELP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000155542598 396053917 /nfs/dbraw/zinc/05/39/17/396053917.db2.gz JDOLHOLHNZDUCW-CABCVRRESA-N 2 2 312.458 0.737 10 0 DCAELP C[C@H](C(=O)N1CCCCCC1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000261983828 396086865 /nfs/dbraw/zinc/08/68/65/396086865.db2.gz RTJGNODQMFFKLF-CQSZACIVSA-N 2 2 310.442 0.141 10 0 DCAELP C[C@H](C(=O)N1CCCCCC1)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000261983828 396086868 /nfs/dbraw/zinc/08/68/68/396086868.db2.gz RTJGNODQMFFKLF-CQSZACIVSA-N 2 2 310.442 0.141 10 0 DCAELP Cc1[nH+]c2ccccc2n1CCNC(=O)C1([NH3+])CCOCC1 ZINC000262105341 396099827 /nfs/dbraw/zinc/09/98/27/396099827.db2.gz JGOVRTHFBPSLGD-UHFFFAOYSA-N 2 2 302.378 0.969 10 0 DCAELP CC(C)n1nnnc1C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000162055808 396078059 /nfs/dbraw/zinc/07/80/59/396078059.db2.gz RCUPLPCWEPVTJD-OAHLLOKOSA-N 2 2 321.473 0.856 10 0 DCAELP CC(C)n1nnnc1C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000162055808 396078064 /nfs/dbraw/zinc/07/80/64/396078064.db2.gz RCUPLPCWEPVTJD-OAHLLOKOSA-N 2 2 321.473 0.856 10 0 DCAELP C[C@H]1CN(C(=O)c2ccc(C[NH3+])cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000178861240 396211483 /nfs/dbraw/zinc/21/14/83/396211483.db2.gz KWZIEQZFPCELOR-BBRMVZONSA-N 2 2 303.406 0.938 10 0 DCAELP CC[C@H](CO)[NH+]1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000183994110 396280103 /nfs/dbraw/zinc/28/01/03/396280103.db2.gz IXGIXZUBKQGUAE-CYBMUJFWSA-N 2 2 306.410 0.676 10 0 DCAELP Cn1cc(C[N@@H+]2CCCN(c3cc[nH+]cc3C(N)=O)CC2)cn1 ZINC000302218228 396718156 /nfs/dbraw/zinc/71/81/56/396718156.db2.gz KUBPIGRMNBBVMK-UHFFFAOYSA-N 2 2 314.393 0.626 10 0 DCAELP Cn1cc(C[N@H+]2CCCN(c3cc[nH+]cc3C(N)=O)CC2)cn1 ZINC000302218228 396718158 /nfs/dbraw/zinc/71/81/58/396718158.db2.gz KUBPIGRMNBBVMK-UHFFFAOYSA-N 2 2 314.393 0.626 10 0 DCAELP CCn1cnnc1C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000093172541 158119458 /nfs/dbraw/zinc/11/94/58/158119458.db2.gz SMDJRTUUOYIVSX-UHFFFAOYSA-N 2 2 320.441 0.251 10 0 DCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)CC[S@](C)=O)CC2)CC1 ZINC000127457471 158272595 /nfs/dbraw/zinc/27/25/95/158272595.db2.gz HAZKFDGQUFGVEW-OAQYLSRUSA-N 2 2 315.483 0.430 10 0 DCAELP Cc1cccc(N2CCC(NC(=O)[C@@H]3COCC[NH2+]3)CC2)[nH+]1 ZINC000169023009 158372664 /nfs/dbraw/zinc/37/26/64/158372664.db2.gz LUHATKSXAYQCHC-AWEZNQCLSA-N 2 2 304.394 0.463 10 0 DCAELP C[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)[NH+]1CCOCC1 ZINC000171038225 158379468 /nfs/dbraw/zinc/37/94/68/158379468.db2.gz KXHUTTZPWCVPRP-LSDHHAIUSA-N 2 2 310.442 0.587 10 0 DCAELP C[C@H]1C[N@@H+](C2CC[NH+](C[C@@H](O)Cn3cccn3)CC2)CCO1 ZINC000328680450 159020470 /nfs/dbraw/zinc/02/04/70/159020470.db2.gz UOYFLBJWNWLAJF-GOEBONIOSA-N 2 2 308.426 0.429 10 0 DCAELP C[C@H]1C[N@H+](C2CC[NH+](C[C@@H](O)Cn3cccn3)CC2)CCO1 ZINC000328680450 159020471 /nfs/dbraw/zinc/02/04/71/159020471.db2.gz UOYFLBJWNWLAJF-GOEBONIOSA-N 2 2 308.426 0.429 10 0 DCAELP CC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000366813102 159289187 /nfs/dbraw/zinc/28/91/87/159289187.db2.gz WHPQTVZJHNWCKS-CHWSQXEVSA-N 2 2 306.410 0.745 10 0 DCAELP CC[NH+](CC)CCS(=O)(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000408213224 160061556 /nfs/dbraw/zinc/06/15/56/160061556.db2.gz FKYPMIVVFPYHOA-UONOGXRCSA-N 2 2 319.471 0.063 10 0 DCAELP CC[NH+](CC)CCS(=O)(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000408213224 160061557 /nfs/dbraw/zinc/06/15/57/160061557.db2.gz FKYPMIVVFPYHOA-UONOGXRCSA-N 2 2 319.471 0.063 10 0 DCAELP C[C@@H](C[NH+]1CCOCC1)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000091559226 415534876 /nfs/dbraw/zinc/53/48/76/415534876.db2.gz YFHNYBORARDDPG-ROUUACIJSA-N 2 2 324.513 0.809 10 0 DCAELP C[C@@H](C[NH+]1CCOCC1)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000091559226 415534883 /nfs/dbraw/zinc/53/48/83/415534883.db2.gz YFHNYBORARDDPG-ROUUACIJSA-N 2 2 324.513 0.809 10 0 DCAELP Cn1cc([C@H]2[C@H](C[N@H+](C)[C@@H]3CCNC3=O)CCC[NH+]2C)cn1 ZINC000333082363 415550206 /nfs/dbraw/zinc/55/02/06/415550206.db2.gz XLEBADFPZAHDAD-NWANDNLSSA-N 2 2 305.426 0.623 10 0 DCAELP Cn1cc([C@H]2[C@H](C[N@@H+](C)[C@@H]3CCNC3=O)CCC[NH+]2C)cn1 ZINC000333082363 415550210 /nfs/dbraw/zinc/55/02/10/415550210.db2.gz XLEBADFPZAHDAD-NWANDNLSSA-N 2 2 305.426 0.623 10 0 DCAELP Cn1cc([C@H]2[C@H](C[NH+](C)[C@@H]3CCNC3=O)CCC[N@@H+]2C)cn1 ZINC000333082363 415550214 /nfs/dbraw/zinc/55/02/14/415550214.db2.gz XLEBADFPZAHDAD-NWANDNLSSA-N 2 2 305.426 0.623 10 0 DCAELP Cn1cc([C@H]2[C@H](C[NH+](C)[C@@H]3CCNC3=O)CCC[N@H+]2C)cn1 ZINC000333082363 415550216 /nfs/dbraw/zinc/55/02/16/415550216.db2.gz XLEBADFPZAHDAD-NWANDNLSSA-N 2 2 305.426 0.623 10 0 DCAELP C[N@H+](CC(=O)NC1(C(=O)N2CC[NH+](C)CC2)CCCC1)C1CC1 ZINC000095963031 415567338 /nfs/dbraw/zinc/56/73/38/415567338.db2.gz HPSQNQQXXPZOQZ-UHFFFAOYSA-N 2 2 322.453 0.284 10 0 DCAELP C[N@@H+](CC(=O)NC1(C(=O)N2CC[NH+](C)CC2)CCCC1)C1CC1 ZINC000095963031 415567345 /nfs/dbraw/zinc/56/73/45/415567345.db2.gz HPSQNQQXXPZOQZ-UHFFFAOYSA-N 2 2 322.453 0.284 10 0 DCAELP C[N@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000105282372 415631261 /nfs/dbraw/zinc/63/12/61/415631261.db2.gz ZOVMHNNZRMERLU-HNNXBMFYSA-N 2 2 310.442 0.587 10 0 DCAELP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000333475158 415661759 /nfs/dbraw/zinc/66/17/59/415661759.db2.gz BJMOSJMLPIGPJU-HOCLYGCPSA-N 2 2 317.437 0.907 10 0 DCAELP C[C@@H]1CC[NH2+]C[C@H]1Nc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000333910273 415764796 /nfs/dbraw/zinc/76/47/96/415764796.db2.gz LBUHPGSEWRNVQE-VXGBXAGGSA-N 2 2 304.398 0.165 10 0 DCAELP C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCC3([NH3+])CCCCC3)C[C@H]21 ZINC000333884819 415759215 /nfs/dbraw/zinc/75/92/15/415759215.db2.gz WXTZODXMGLGTGS-ZIAGYGMSSA-N 2 2 310.442 0.763 10 0 DCAELP C[N@H+]1CCO[C@@H]2CCN(C(=O)NCC3([NH3+])CCCCC3)C[C@H]21 ZINC000333884819 415759222 /nfs/dbraw/zinc/75/92/22/415759222.db2.gz WXTZODXMGLGTGS-ZIAGYGMSSA-N 2 2 310.442 0.763 10 0 DCAELP CC[NH+](CC)CC1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000357301563 416060257 /nfs/dbraw/zinc/06/02/57/416060257.db2.gz FDQBUQZVFIXKTO-UHFFFAOYSA-N 3 2 310.486 0.814 10 0 DCAELP CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000662743302 417883436 /nfs/dbraw/zinc/88/34/36/417883436.db2.gz XDLVCZKTPDYCJY-DLBZAZTESA-N 2 2 316.449 0.528 10 0 DCAELP CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000662743302 417883441 /nfs/dbraw/zinc/88/34/41/417883441.db2.gz XDLVCZKTPDYCJY-DLBZAZTESA-N 2 2 316.449 0.528 10 0 DCAELP COC(=O)[C@@H](C1CC1)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000359603549 271130458 /nfs/dbraw/zinc/13/04/58/271130458.db2.gz VUDSYPUQHSHCNX-CQSZACIVSA-N 2 2 312.410 0.097 10 0 DCAELP CC(=O)N[C@@H](C)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000408078034 277039048 /nfs/dbraw/zinc/03/90/48/277039048.db2.gz GAXCWLRGNLOOIW-STQMWFEESA-N 2 2 310.442 0.138 10 0 DCAELP CC(=O)N[C@@H](C)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000408078034 277039049 /nfs/dbraw/zinc/03/90/49/277039049.db2.gz GAXCWLRGNLOOIW-STQMWFEESA-N 2 2 310.442 0.138 10 0 DCAELP CNC(=O)NC(=O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195291641 277235519 /nfs/dbraw/zinc/23/55/19/277235519.db2.gz RJMBEFJLORTDDA-CQSZACIVSA-N 2 2 319.409 0.291 10 0 DCAELP CNC(=O)NC(=O)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195291641 277235520 /nfs/dbraw/zinc/23/55/20/277235520.db2.gz RJMBEFJLORTDDA-CQSZACIVSA-N 2 2 319.409 0.291 10 0 DCAELP CNC(=O)NC(=O)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195291641 277235522 /nfs/dbraw/zinc/23/55/22/277235522.db2.gz RJMBEFJLORTDDA-CQSZACIVSA-N 2 2 319.409 0.291 10 0 DCAELP CNC(=O)NC(=O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195291641 277235523 /nfs/dbraw/zinc/23/55/23/277235523.db2.gz RJMBEFJLORTDDA-CQSZACIVSA-N 2 2 319.409 0.291 10 0 DCAELP C[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[N@H+](C)C1CC1 ZINC000173908642 278200639 /nfs/dbraw/zinc/20/06/39/278200639.db2.gz OJYWDHQDAYHCDK-UKRRQHHQSA-N 2 2 310.442 0.585 10 0 DCAELP C[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[N@@H+](C)C1CC1 ZINC000173908642 278200641 /nfs/dbraw/zinc/20/06/41/278200641.db2.gz OJYWDHQDAYHCDK-UKRRQHHQSA-N 2 2 310.442 0.585 10 0 DCAELP CC[NH+]1CCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000553040316 288284928 /nfs/dbraw/zinc/28/49/28/288284928.db2.gz ZJFROGYHDMXGOE-UHFFFAOYSA-N 2 2 301.350 0.437 10 0 DCAELP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000329503528 289047164 /nfs/dbraw/zinc/04/71/64/289047164.db2.gz AQYSDPQKAUPZGR-QLFBSQMISA-N 2 2 318.421 0.767 10 0 DCAELP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000333863906 297545198 /nfs/dbraw/zinc/54/51/98/297545198.db2.gz SQPCSPDENJVRBN-BFHYXJOUSA-N 2 2 320.441 0.559 10 0 DCAELP C[C@H](NC(=O)C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1)C(=O)N1CCCCC1 ZINC000261737408 299055098 /nfs/dbraw/zinc/05/50/98/299055098.db2.gz OUOXTLQOZSMVRW-UONOGXRCSA-N 2 2 324.469 0.563 10 0 DCAELP C[C@H](NC(=O)C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1)C(=O)N1CCCCC1 ZINC000261737408 299055102 /nfs/dbraw/zinc/05/51/02/299055102.db2.gz OUOXTLQOZSMVRW-UONOGXRCSA-N 2 2 324.469 0.563 10 0 DCAELP CCCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000105797695 519888405 /nfs/dbraw/zinc/88/84/05/519888405.db2.gz FLTAFNYAGIZJBC-OLZOCXBDSA-N 2 2 320.441 0.991 10 0 DCAELP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000333863907 546094538 /nfs/dbraw/zinc/09/45/38/546094538.db2.gz SQPCSPDENJVRBN-IHRRRGAJSA-N 2 2 320.441 0.559 10 0 DCAELP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)CCc1[nH]cc[nH+]1)C2 ZINC000888095258 661166058 /nfs/dbraw/zinc/16/60/58/661166058.db2.gz SZPKIOLJGPRDAB-BQGCOEIASA-N 2 2 320.437 0.938 10 0 DCAELP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)CCc1[nH]cc[nH+]1)C2 ZINC000888095258 661166059 /nfs/dbraw/zinc/16/60/59/661166059.db2.gz SZPKIOLJGPRDAB-BQGCOEIASA-N 2 2 320.437 0.938 10 0 DCAELP CN(C[C@@H]1CCc2[nH+]ccn2C1)C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897472659 662769600 /nfs/dbraw/zinc/76/96/00/662769600.db2.gz KUWQZEYSINNUJN-ZFWWWQNUSA-N 2 2 318.421 0.625 10 0 DCAELP C[N@@H+]1CCO[C@H](CNC(=O)NCCCNc2cccc[nH+]2)C1 ZINC000104797593 194042390 /nfs/dbraw/zinc/04/23/90/194042390.db2.gz SWWXWTJPRHZZQF-CYBMUJFWSA-N 2 2 307.398 0.513 10 0 DCAELP C[N@H+]1CCO[C@H](CNC(=O)NCCCNc2cccc[nH+]2)C1 ZINC000104797593 194042391 /nfs/dbraw/zinc/04/23/91/194042391.db2.gz SWWXWTJPRHZZQF-CYBMUJFWSA-N 2 2 307.398 0.513 10 0 DCAELP C[C@@H](CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C)[NH+]1CCOCC1 ZINC000106430904 194213788 /nfs/dbraw/zinc/21/37/88/194213788.db2.gz FDSHIJINUXFQFQ-RDJZCZTQSA-N 2 2 319.449 0.996 10 0 DCAELP C(C[C@@H]1CCOC1)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000346371609 254043506 /nfs/dbraw/zinc/04/35/06/254043506.db2.gz UWYQXZKMLYCVOD-MRXNPFEDSA-N 2 2 311.470 0.799 10 0 DCAELP C(C[C@@H]1CCOC1)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000346371609 254043509 /nfs/dbraw/zinc/04/35/09/254043509.db2.gz UWYQXZKMLYCVOD-MRXNPFEDSA-N 2 2 311.470 0.799 10 0 DCAELP CC(C)C[NH+]1CCN(C(=O)NC[C@H](C)[NH+]2CCOCC2)CC1 ZINC000097427916 395757492 /nfs/dbraw/zinc/75/74/92/395757492.db2.gz YTAIDBJCCVLMPH-HNNXBMFYSA-N 2 2 312.458 0.690 10 0 DCAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000245624931 395932930 /nfs/dbraw/zinc/93/29/30/395932930.db2.gz ORIJUJODRDMCIC-HOTGVXAUSA-N 2 2 322.453 0.368 10 0 DCAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000245624931 395932934 /nfs/dbraw/zinc/93/29/34/395932934.db2.gz ORIJUJODRDMCIC-HOTGVXAUSA-N 2 2 322.453 0.368 10 0 DCAELP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000247007356 395963842 /nfs/dbraw/zinc/96/38/42/395963842.db2.gz OHCVAFVPJNWRRK-LSDHHAIUSA-N 2 2 310.442 0.587 10 0 DCAELP CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000247007356 395963845 /nfs/dbraw/zinc/96/38/45/395963845.db2.gz OHCVAFVPJNWRRK-LSDHHAIUSA-N 2 2 310.442 0.587 10 0 DCAELP CCCCOC[C@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000248651827 395993182 /nfs/dbraw/zinc/99/31/82/395993182.db2.gz NCEFCAXKDOXXHJ-JKSUJKDBSA-N 2 2 300.443 0.818 10 0 DCAELP CCCCOC[C@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000248651827 395993186 /nfs/dbraw/zinc/99/31/86/395993186.db2.gz NCEFCAXKDOXXHJ-JKSUJKDBSA-N 2 2 300.443 0.818 10 0 DCAELP CN(CC[N@H+](C)C1CC1)c1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000248737636 395996181 /nfs/dbraw/zinc/99/61/81/395996181.db2.gz QYRGDJZALDFOCF-AWEZNQCLSA-N 2 2 305.426 0.968 10 0 DCAELP CN(CC[N@@H+](C)C1CC1)c1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000248737636 395996183 /nfs/dbraw/zinc/99/61/83/395996183.db2.gz QYRGDJZALDFOCF-AWEZNQCLSA-N 2 2 305.426 0.968 10 0 DCAELP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000068299109 396052013 /nfs/dbraw/zinc/05/20/13/396052013.db2.gz VSJQJMWVVDTCSE-HNNXBMFYSA-N 2 2 322.453 0.282 10 0 DCAELP CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000068299109 396052015 /nfs/dbraw/zinc/05/20/15/396052015.db2.gz VSJQJMWVVDTCSE-HNNXBMFYSA-N 2 2 322.453 0.282 10 0 DCAELP C[C@@H](C(=O)Nc1ccccc1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000261977197 396086045 /nfs/dbraw/zinc/08/60/45/396086045.db2.gz QVENCVNZWFODSG-ZDUSSCGKSA-N 2 2 304.394 0.377 10 0 DCAELP C[C@@H](C(=O)Nc1ccccc1)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000261977197 396086049 /nfs/dbraw/zinc/08/60/49/396086049.db2.gz QVENCVNZWFODSG-ZDUSSCGKSA-N 2 2 304.394 0.377 10 0 DCAELP CC[C@@H](C(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1)[NH+](C)C ZINC000164436284 396087292 /nfs/dbraw/zinc/08/72/92/396087292.db2.gz GLFQSSBQZQHRDR-STQMWFEESA-N 2 2 320.441 0.944 10 0 DCAELP COC(=O)c1cccc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000262010823 396089992 /nfs/dbraw/zinc/08/99/92/396089992.db2.gz WKKWICXSGDYXFB-UHFFFAOYSA-N 2 2 305.378 0.337 10 0 DCAELP COC(=O)c1cccc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000262010823 396089994 /nfs/dbraw/zinc/08/99/94/396089994.db2.gz WKKWICXSGDYXFB-UHFFFAOYSA-N 2 2 305.378 0.337 10 0 DCAELP C[N@H+](CC(=O)NC1CCCCCC1)CC(=O)N1CC[NH2+]CC1 ZINC000262037819 396092151 /nfs/dbraw/zinc/09/21/51/396092151.db2.gz ZXWIFHQPSIBWFO-UHFFFAOYSA-N 2 2 310.442 0.189 10 0 DCAELP C[N@@H+](CC(=O)NC1CCCCCC1)CC(=O)N1CC[NH2+]CC1 ZINC000262037819 396092154 /nfs/dbraw/zinc/09/21/54/396092154.db2.gz ZXWIFHQPSIBWFO-UHFFFAOYSA-N 2 2 310.442 0.189 10 0 DCAELP C[NH+](C)C[C@@H]1CN(c2cc(N3CCC[C@@H]3CO)nc[nH+]2)CCO1 ZINC000170999890 396103021 /nfs/dbraw/zinc/10/30/21/396103021.db2.gz QAMRSCJEZDYHBR-ZIAGYGMSSA-N 2 2 321.425 0.205 10 0 DCAELP C[NH+](C)C[C@@H]1CN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)CCO1 ZINC000170999890 396103022 /nfs/dbraw/zinc/10/30/22/396103022.db2.gz QAMRSCJEZDYHBR-ZIAGYGMSSA-N 2 2 321.425 0.205 10 0 DCAELP COC[C@@H]([NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000262320833 396123604 /nfs/dbraw/zinc/12/36/04/396123604.db2.gz QIGCGGMCQGLUMM-MBNYWOFBSA-N 2 2 322.409 0.285 10 0 DCAELP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261912268 396078784 /nfs/dbraw/zinc/07/87/84/396078784.db2.gz JFCULTUUFDIFLY-YYIAUSFCSA-N 3 2 310.486 0.369 10 0 DCAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000263313933 396213646 /nfs/dbraw/zinc/21/36/46/396213646.db2.gz ZDVCVFQKDYMLNK-WMZOPIPTSA-N 3 2 303.450 0.863 10 0 DCAELP C[C@@]1(C(N)=O)CCCC[NH+]1CCC[N@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185963159 396338312 /nfs/dbraw/zinc/33/83/12/396338312.db2.gz TWEFOBUGKRDDDR-IRXDYDNUSA-N 2 2 324.469 0.836 10 0 DCAELP C[C@@]1(C(N)=O)CCCC[NH+]1CCC[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185963159 396338315 /nfs/dbraw/zinc/33/83/15/396338315.db2.gz TWEFOBUGKRDDDR-IRXDYDNUSA-N 2 2 324.469 0.836 10 0 DCAELP Cc1cc(N2CCN(c3cc[nH+]cc3C(N)=O)CC2)nc(C)[nH+]1 ZINC000302228681 396718745 /nfs/dbraw/zinc/71/87/45/396718745.db2.gz QVBXMZOGHCPKBJ-UHFFFAOYSA-N 2 2 312.377 0.914 10 0 DCAELP C[NH+]1CCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000096666073 158123899 /nfs/dbraw/zinc/12/38/99/158123899.db2.gz SEVCPXZTZJRUIA-UHFFFAOYSA-N 2 2 303.410 0.221 10 0 DCAELP CC(C)[NH+](CCNC(=O)NC[C@@H]1C[N@H+](C)CCO1)C(C)C ZINC000104800081 158129616 /nfs/dbraw/zinc/12/96/16/158129616.db2.gz HDKXIXMKUPAUDH-CQSZACIVSA-N 2 2 300.447 0.735 10 0 DCAELP CC(C)[NH+](CCNC(=O)NC[C@@H]1C[N@@H+](C)CCO1)C(C)C ZINC000104800081 158129617 /nfs/dbraw/zinc/12/96/17/158129617.db2.gz HDKXIXMKUPAUDH-CQSZACIVSA-N 2 2 300.447 0.735 10 0 DCAELP OC[C@@H]1CCCN(c2cc(N3CC[NH+](C4CC4)CC3)nc[nH+]2)C1 ZINC000105788727 158131004 /nfs/dbraw/zinc/13/10/04/158131004.db2.gz ISHXPNVCRHWDBV-CQSZACIVSA-N 2 2 317.437 0.970 10 0 DCAELP COCCCNC(=O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105918425 158132222 /nfs/dbraw/zinc/13/22/22/158132222.db2.gz RXNMUKABIMRXAV-UHFFFAOYSA-N 2 2 308.426 0.827 10 0 DCAELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCN2CCCC2=O)CC1 ZINC000109752568 158138381 /nfs/dbraw/zinc/13/83/81/158138381.db2.gz PMIXLFDBXDVQCJ-INIZCTEOSA-N 2 2 308.470 0.711 10 0 DCAELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCN2CCCC2=O)CC1 ZINC000109752568 158138383 /nfs/dbraw/zinc/13/83/83/158138383.db2.gz PMIXLFDBXDVQCJ-INIZCTEOSA-N 2 2 308.470 0.711 10 0 DCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3CCC[C@H]3[NH3+])CC2)CC1 ZINC000166561485 158367024 /nfs/dbraw/zinc/36/70/24/158367024.db2.gz XUBCOPFIXWWESR-HZPDHXFCSA-N 3 2 308.470 0.789 10 0 DCAELP C[C@H](C(=O)N1CC[NH2+][C@@H](c2cccnc2)C1)N1CC[NH+](C)CC1 ZINC000328642393 159016804 /nfs/dbraw/zinc/01/68/04/159016804.db2.gz DVDFDMUSWHMCNS-GDBMZVCRSA-N 2 2 317.437 0.190 10 0 DCAELP CO[C@H]1C[C@@H](C(=O)N2CCC[C@H]2Cn2cc[nH+]c2C)[N@H+](C)C1 ZINC000329024094 159052930 /nfs/dbraw/zinc/05/29/30/159052930.db2.gz NCJIRZHYRUFLKH-KKUMJFAQSA-N 2 2 306.410 0.902 10 0 DCAELP CO[C@H]1C[C@@H](C(=O)N2CCC[C@H]2Cn2cc[nH+]c2C)[N@@H+](C)C1 ZINC000329024094 159052932 /nfs/dbraw/zinc/05/29/32/159052932.db2.gz NCJIRZHYRUFLKH-KKUMJFAQSA-N 2 2 306.410 0.902 10 0 DCAELP CO[C@H]1C[NH2+][C@@H](C(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000040634753 415198417 /nfs/dbraw/zinc/19/84/17/415198417.db2.gz BZDIUUSMEKCANS-TZMCWYRMSA-N 2 2 309.435 0.769 10 0 DCAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCC(=O)N2CCCC2)[C@H](C)C1 ZINC000081094965 415484917 /nfs/dbraw/zinc/48/49/17/415484917.db2.gz JXCRVQAUCITWQR-HUUCEWRRSA-N 2 2 324.469 0.387 10 0 DCAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCC(=O)N2CCCC2)[C@H](C)C1 ZINC000081094965 415484923 /nfs/dbraw/zinc/48/49/23/415484923.db2.gz JXCRVQAUCITWQR-HUUCEWRRSA-N 2 2 324.469 0.387 10 0 DCAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCC(=O)N2CCCC2)[C@H](C)C1 ZINC000081094965 415484926 /nfs/dbraw/zinc/48/49/26/415484926.db2.gz JXCRVQAUCITWQR-HUUCEWRRSA-N 2 2 324.469 0.387 10 0 DCAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCC(=O)N2CCCC2)[C@H](C)C1 ZINC000081094965 415484930 /nfs/dbraw/zinc/48/49/30/415484930.db2.gz JXCRVQAUCITWQR-HUUCEWRRSA-N 2 2 324.469 0.387 10 0 DCAELP C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000105281634 415633427 /nfs/dbraw/zinc/63/34/27/415633427.db2.gz IUQMKAWSOPPUTA-INIZCTEOSA-N 2 2 324.469 0.834 10 0 DCAELP C[N@H+]1CCO[C@@H](CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000105281634 415633432 /nfs/dbraw/zinc/63/34/32/415633432.db2.gz IUQMKAWSOPPUTA-INIZCTEOSA-N 2 2 324.469 0.834 10 0 DCAELP CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000106541523 415644115 /nfs/dbraw/zinc/64/41/15/415644115.db2.gz QJAUTGJDSOGNFX-GJZGRUSLSA-N 2 2 311.474 0.406 10 0 DCAELP CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000106541523 415644120 /nfs/dbraw/zinc/64/41/20/415644120.db2.gz QJAUTGJDSOGNFX-GJZGRUSLSA-N 2 2 311.474 0.406 10 0 DCAELP Cn1ncc2c1nc(N1CC[C@@]3(C1)CCC[N@H+](C)C3)[nH+]c2N ZINC000292686254 415847511 /nfs/dbraw/zinc/84/75/11/415847511.db2.gz FDHPJYWUOLKYES-HNNXBMFYSA-N 2 2 301.398 0.868 10 0 DCAELP Cn1ncc2c1nc(N1CC[C@@]3(C1)CCC[N@@H+](C)C3)[nH+]c2N ZINC000292686254 415847516 /nfs/dbraw/zinc/84/75/16/415847516.db2.gz FDHPJYWUOLKYES-HNNXBMFYSA-N 2 2 301.398 0.868 10 0 DCAELP CC[C@H](C(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1)[NH+](C)C ZINC000152002293 415966721 /nfs/dbraw/zinc/96/67/21/415966721.db2.gz BPFZYTVWIZWERT-HZPDHXFCSA-N 2 2 310.486 0.955 10 0 DCAELP C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000174242161 416075055 /nfs/dbraw/zinc/07/50/55/416075055.db2.gz DVZWJMPUGIMQFV-CABCVRRESA-N 2 2 310.442 0.444 10 0 DCAELP C[N@H+]1CCO[C@@H](CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000174242161 416075059 /nfs/dbraw/zinc/07/50/59/416075059.db2.gz DVZWJMPUGIMQFV-CABCVRRESA-N 2 2 310.442 0.444 10 0 DCAELP CCNS(=O)(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000179041446 416181012 /nfs/dbraw/zinc/18/10/12/416181012.db2.gz SXPNEIDSHLONGB-PBWFPOADSA-N 2 2 316.471 0.084 10 0 DCAELP CCNS(=O)(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000179041446 416181014 /nfs/dbraw/zinc/18/10/14/416181014.db2.gz SXPNEIDSHLONGB-PBWFPOADSA-N 2 2 316.471 0.084 10 0 DCAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000180481422 416198460 /nfs/dbraw/zinc/19/84/60/416198460.db2.gz TYRBJRWMKLHGHE-HNNXBMFYSA-N 3 2 319.453 0.856 10 0 DCAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000180481422 416198465 /nfs/dbraw/zinc/19/84/65/416198465.db2.gz TYRBJRWMKLHGHE-HNNXBMFYSA-N 3 2 319.453 0.856 10 0 DCAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N2CCN(C)CC2)C1 ZINC000180481422 416198470 /nfs/dbraw/zinc/19/84/70/416198470.db2.gz TYRBJRWMKLHGHE-HNNXBMFYSA-N 2 2 319.453 0.856 10 0 DCAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N2CCN(C)CC2)C1 ZINC000180481422 416198472 /nfs/dbraw/zinc/19/84/72/416198472.db2.gz TYRBJRWMKLHGHE-HNNXBMFYSA-N 2 2 319.453 0.856 10 0 DCAELP C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1c[nH+]ccc1N(C)C ZINC000183564156 416245150 /nfs/dbraw/zinc/24/51/50/416245150.db2.gz PQELVALQUMVFEQ-CYBMUJFWSA-N 2 2 305.426 0.513 10 0 DCAELP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193604392 416319423 /nfs/dbraw/zinc/31/94/23/416319423.db2.gz MXEWAOBHTOUIGP-QLFBSQMISA-N 2 2 323.437 0.424 10 0 DCAELP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193604392 416319426 /nfs/dbraw/zinc/31/94/26/416319426.db2.gz MXEWAOBHTOUIGP-QLFBSQMISA-N 2 2 323.437 0.424 10 0 DCAELP CCOC(=O)[C@H]1CCCCN1C(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193604392 416319432 /nfs/dbraw/zinc/31/94/32/416319432.db2.gz MXEWAOBHTOUIGP-QLFBSQMISA-N 2 2 323.437 0.424 10 0 DCAELP CCOC(=O)[C@H]1CCCCN1C(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193604392 416319434 /nfs/dbraw/zinc/31/94/34/416319434.db2.gz MXEWAOBHTOUIGP-QLFBSQMISA-N 2 2 323.437 0.424 10 0 DCAELP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CCOCC1 ZINC000261919482 416335922 /nfs/dbraw/zinc/33/59/22/416335922.db2.gz KBKXSRIZXMWLFF-OAGGEKHMSA-N 3 2 311.470 0.844 10 0 DCAELP CCOCC[C@H](O)C[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000434637284 416486157 /nfs/dbraw/zinc/48/61/57/416486157.db2.gz MMVGHAGMOTWLNE-AWEZNQCLSA-N 2 2 323.441 0.452 10 0 DCAELP c1cc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)nc(N2CCOCC2)[nH+]1 ZINC000450788354 417267806 /nfs/dbraw/zinc/26/78/06/417267806.db2.gz HCJPOKKCKDQAMU-OKILXGFUSA-N 2 2 319.409 0.588 10 0 DCAELP c1cc(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)nc(N2CCOCC2)[nH+]1 ZINC000450788354 417267812 /nfs/dbraw/zinc/26/78/12/417267812.db2.gz HCJPOKKCKDQAMU-OKILXGFUSA-N 2 2 319.409 0.588 10 0 DCAELP CN(CC(C)(C)C[NH3+])c1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000420198303 262366927 /nfs/dbraw/zinc/36/69/27/262366927.db2.gz CDCDDQKRFNUFNF-UHFFFAOYSA-N 2 2 306.414 0.176 10 0 DCAELP CN(CC(C)(C)C[NH3+])c1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000420198303 262366928 /nfs/dbraw/zinc/36/69/28/262366928.db2.gz CDCDDQKRFNUFNF-UHFFFAOYSA-N 2 2 306.414 0.176 10 0 DCAELP C[C@@H](CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)[N@H+](C)C1CC1 ZINC000552723289 288279723 /nfs/dbraw/zinc/27/97/23/288279723.db2.gz AWAUTPOWKINVPO-NSHDSACASA-N 2 2 315.377 0.872 10 0 DCAELP C[C@@H](CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)[N@@H+](C)C1CC1 ZINC000552723289 288279724 /nfs/dbraw/zinc/27/97/24/288279724.db2.gz AWAUTPOWKINVPO-NSHDSACASA-N 2 2 315.377 0.872 10 0 DCAELP CCc1nc(C(C)(C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)no1 ZINC000554849568 288339372 /nfs/dbraw/zinc/33/93/72/288339372.db2.gz ZTHQBUZYTYNGAQ-UHFFFAOYSA-N 2 2 309.414 0.621 10 0 DCAELP C[C@H](CO)[C@H](C)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000175800562 341846701 /nfs/dbraw/zinc/84/67/01/341846701.db2.gz GJNSLJSEYWPTAV-OLZOCXBDSA-N 2 2 300.447 0.329 10 0 DCAELP O=S(=O)([C@@H]1CC[N@H+](CCC[NH+]2CCCC2)C1)N1CCCC1 ZINC000163364760 527262744 /nfs/dbraw/zinc/26/27/44/527262744.db2.gz XWCLAQMSRSJCQB-OAHLLOKOSA-N 2 2 315.483 0.972 10 0 DCAELP O=S(=O)([C@@H]1CC[N@@H+](CCC[NH+]2CCCC2)C1)N1CCCC1 ZINC000163364760 527262745 /nfs/dbraw/zinc/26/27/45/527262745.db2.gz XWCLAQMSRSJCQB-OAHLLOKOSA-N 2 2 315.483 0.972 10 0 DCAELP [NH3+][C@@H]1CC[C@H](C(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C1 ZINC000246581977 527370006 /nfs/dbraw/zinc/37/00/06/527370006.db2.gz VRAKTQPVSCGQTG-GVDBMIGSSA-N 2 2 317.433 0.992 10 0 DCAELP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC[NH+]1CCOCC1 ZINC000246722822 529305509 /nfs/dbraw/zinc/30/55/09/529305509.db2.gz MAUUDJLJCUVNBM-GJZGRUSLSA-N 2 2 310.442 0.587 10 0 DCAELP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC[NH+]1CCOCC1 ZINC000246722822 529305511 /nfs/dbraw/zinc/30/55/11/529305511.db2.gz MAUUDJLJCUVNBM-GJZGRUSLSA-N 2 2 310.442 0.587 10 0 DCAELP C[C@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)[C@@H]1CCCO1 ZINC000175632977 545887003 /nfs/dbraw/zinc/88/70/03/545887003.db2.gz YQBMKDVLRXEEJW-ZFWWWQNUSA-N 2 2 312.458 0.879 10 0 DCAELP [NH3+]C1(CC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000398146316 546224200 /nfs/dbraw/zinc/22/42/00/546224200.db2.gz DDBXSLDNXBPXOR-OAHLLOKOSA-N 2 2 303.406 0.885 10 0 DCAELP [NH3+]C1(CC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000398146316 546224204 /nfs/dbraw/zinc/22/42/04/546224204.db2.gz DDBXSLDNXBPXOR-OAHLLOKOSA-N 2 2 303.406 0.885 10 0 DCAELP C[C@H]1C[N@H+](Cc2cnc(NC(=O)C[NH+](C)C)s2)CC[C@@H]1[NH3+] ZINC000725273039 548749891 /nfs/dbraw/zinc/74/98/91/548749891.db2.gz XPLCDERITYDLIV-JQWIXIFHSA-N 3 2 311.455 0.812 10 0 DCAELP C[C@H]1C[N@@H+](Cc2cnc(NC(=O)C[NH+](C)C)s2)CC[C@@H]1[NH3+] ZINC000725273039 548749893 /nfs/dbraw/zinc/74/98/93/548749893.db2.gz XPLCDERITYDLIV-JQWIXIFHSA-N 3 2 311.455 0.812 10 0 DCAELP C[N@H+](CCN1C(=O)c2ccccc2C1=O)C1(C[NH3+])CCOCC1 ZINC000725035423 658041234 /nfs/dbraw/zinc/04/12/34/658041234.db2.gz AVEHBNJJRYIONT-UHFFFAOYSA-N 2 2 317.389 0.722 10 0 DCAELP C[N@@H+](CCN1C(=O)c2ccccc2C1=O)C1(C[NH3+])CCOCC1 ZINC000725035423 658041240 /nfs/dbraw/zinc/04/12/40/658041240.db2.gz AVEHBNJJRYIONT-UHFFFAOYSA-N 2 2 317.389 0.722 10 0 DCAELP CC(C)(C)S(=O)(=O)CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261912178 661820069 /nfs/dbraw/zinc/82/00/69/661820069.db2.gz JEBYAEJUYDFPHF-BFHYXJOUSA-N 2 2 318.483 0.946 10 0 DCAELP [NH3+]C1CC(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000703494897 667092875 /nfs/dbraw/zinc/09/28/75/667092875.db2.gz KUAINEGOPBPLIJ-UYSNPLJNSA-N 2 2 303.406 0.741 10 0 DCAELP [NH3+]C1CC(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000703494897 667092879 /nfs/dbraw/zinc/09/28/79/667092879.db2.gz KUAINEGOPBPLIJ-UYSNPLJNSA-N 2 2 303.406 0.741 10 0 DCAELP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000273063844 685193245 /nfs/dbraw/zinc/19/32/45/685193245.db2.gz JIZOEWAHSVSUTE-GJZGRUSLSA-N 2 2 306.410 0.842 10 0 DCAELP C[C@H](NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000247403101 299134544 /nfs/dbraw/zinc/13/45/44/299134544.db2.gz PNVXWSKQYXXBBJ-UGUYLWEFSA-N 2 2 324.469 0.974 10 0 DCAELP C[C@H](NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000247403101 299134546 /nfs/dbraw/zinc/13/45/46/299134546.db2.gz PNVXWSKQYXXBBJ-UGUYLWEFSA-N 2 2 324.469 0.974 10 0 DCAELP CN(CC1(CO)CC1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000187341889 237347477 /nfs/dbraw/zinc/34/74/77/237347477.db2.gz ZFVXSYHGOYWBGM-UHFFFAOYSA-N 2 2 312.458 0.426 10 0 DCAELP O=C(c1ccc2c(c1)C[NH2+]C2)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000262335650 296233777 /nfs/dbraw/zinc/23/37/77/296233777.db2.gz SYZDTWYECWNZAW-MRXNPFEDSA-N 2 2 301.390 0.837 10 0 DCAELP CCC[NH+]1CCC(CNC(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000105215489 194085079 /nfs/dbraw/zinc/08/50/79/194085079.db2.gz SVKAPQPXWMTHQS-HNNXBMFYSA-N 2 2 312.458 0.738 10 0 DCAELP CCC[NH+]1CCC(CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000105215489 194085082 /nfs/dbraw/zinc/08/50/82/194085082.db2.gz SVKAPQPXWMTHQS-HNNXBMFYSA-N 2 2 312.458 0.738 10 0 DCAELP C[C@@H](CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)[NH+]1CCOCC1 ZINC000106430900 194213070 /nfs/dbraw/zinc/21/30/70/194213070.db2.gz FDSHIJINUXFQFQ-DOTOQJQBSA-N 2 2 319.449 0.996 10 0 DCAELP C/C(=C\c1ccco1)C[N@@H+]1C[C@H](O)[C@@H](N2CC[NH+](C)CC2)C1 ZINC000065464868 184349332 /nfs/dbraw/zinc/34/93/32/184349332.db2.gz XQJGXNKACKIICO-ONPHEMOESA-N 2 2 305.422 0.975 10 0 DCAELP C/C(=C\c1ccco1)C[N@H+]1C[C@H](O)[C@@H](N2CC[NH+](C)CC2)C1 ZINC000065464868 184349336 /nfs/dbraw/zinc/34/93/36/184349336.db2.gz XQJGXNKACKIICO-ONPHEMOESA-N 2 2 305.422 0.975 10 0 DCAELP C[C@H]1CC(C)(C)C[C@](CO)([NH2+]CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093193675 395736784 /nfs/dbraw/zinc/73/67/84/395736784.db2.gz NTQWYQLXSPOJAM-WMLDXEAASA-N 2 2 311.470 0.927 10 0 DCAELP CC[C@H]1CN(C(=O)NCCn2cc[nH+]c2)CC[N@@H+]1CCOC ZINC000117467774 395852969 /nfs/dbraw/zinc/85/29/69/395852969.db2.gz WGDSHMZKFDALRF-AWEZNQCLSA-N 2 2 309.414 0.635 10 0 DCAELP CC[C@H]1CN(C(=O)NCCn2cc[nH+]c2)CC[N@H+]1CCOC ZINC000117467774 395852972 /nfs/dbraw/zinc/85/29/72/395852972.db2.gz WGDSHMZKFDALRF-AWEZNQCLSA-N 2 2 309.414 0.635 10 0 DCAELP C[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)[NH+]1CCOCC1 ZINC000136811453 395948569 /nfs/dbraw/zinc/94/85/69/395948569.db2.gz UTFWBQKLLXNPSI-BZUAXINKSA-N 2 2 324.469 0.833 10 0 DCAELP C[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)[NH+]1CCOCC1 ZINC000136811453 395948571 /nfs/dbraw/zinc/94/85/71/395948571.db2.gz UTFWBQKLLXNPSI-BZUAXINKSA-N 2 2 324.469 0.833 10 0 DCAELP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000247142925 395967883 /nfs/dbraw/zinc/96/78/83/395967883.db2.gz JVMBEQMNOSUQIG-GJZGRUSLSA-N 2 2 324.469 0.975 10 0 DCAELP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000247142925 395967886 /nfs/dbraw/zinc/96/78/86/395967886.db2.gz JVMBEQMNOSUQIG-GJZGRUSLSA-N 2 2 324.469 0.975 10 0 DCAELP C[C@H]1C[NH+]2CCC[C@H]2CN1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000247142925 395967889 /nfs/dbraw/zinc/96/78/89/395967889.db2.gz JVMBEQMNOSUQIG-GJZGRUSLSA-N 2 2 324.469 0.975 10 0 DCAELP C[C@H]1C[NH+]2CCC[C@H]2CN1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000247142925 395967891 /nfs/dbraw/zinc/96/78/91/395967891.db2.gz JVMBEQMNOSUQIG-GJZGRUSLSA-N 2 2 324.469 0.975 10 0 DCAELP C[C@@H]1CC[N@H+](Cc2nc(N)nc(N(C)C)n2)C[C@H]1n1cc[nH+]c1 ZINC000247779300 395978767 /nfs/dbraw/zinc/97/87/67/395978767.db2.gz XHNMYSNMNCDQOS-VXGBXAGGSA-N 2 2 316.413 0.799 10 0 DCAELP C[C@@H]1CC[N@@H+](Cc2nc(N)nc(N(C)C)n2)C[C@H]1n1cc[nH+]c1 ZINC000247779300 395978769 /nfs/dbraw/zinc/97/87/69/395978769.db2.gz XHNMYSNMNCDQOS-VXGBXAGGSA-N 2 2 316.413 0.799 10 0 DCAELP NC(=O)[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1COc1cc[nH+]cc1 ZINC000257189331 396035494 /nfs/dbraw/zinc/03/54/94/396035494.db2.gz NQGDCRIDXLNYBW-SWLSCSKDSA-N 2 2 305.378 0.673 10 0 DCAELP NC(=O)[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1COc1cc[nH+]cc1 ZINC000257189331 396035498 /nfs/dbraw/zinc/03/54/98/396035498.db2.gz NQGDCRIDXLNYBW-SWLSCSKDSA-N 2 2 305.378 0.673 10 0 DCAELP C[C@@H](NC(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1)c1cccs1 ZINC000261817017 396069064 /nfs/dbraw/zinc/06/90/64/396069064.db2.gz AKMDHXZSJXDIHT-GFCCVEGCSA-N 2 2 324.450 0.289 10 0 DCAELP C[C@@H](NC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1)c1cccs1 ZINC000261817017 396069066 /nfs/dbraw/zinc/06/90/66/396069066.db2.gz AKMDHXZSJXDIHT-GFCCVEGCSA-N 2 2 324.450 0.289 10 0 DCAELP CS(=O)(=O)CC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000261978381 396086089 /nfs/dbraw/zinc/08/60/89/396086089.db2.gz RJKSVRRVFLJDFB-BFHYXJOUSA-N 2 2 316.467 0.558 10 0 DCAELP C[NH2+]CCC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000262448871 396141109 /nfs/dbraw/zinc/14/11/09/396141109.db2.gz VPSVTABLYYRELC-BETUJISGSA-N 2 2 306.410 0.921 10 0 DCAELP C[NH2+]CCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000262448873 396141201 /nfs/dbraw/zinc/14/12/01/396141201.db2.gz VPSVTABLYYRELC-CHWSQXEVSA-N 2 2 306.410 0.921 10 0 DCAELP C[NH+](C)C[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1NC(=O)c1cnco1 ZINC000169791086 396093565 /nfs/dbraw/zinc/09/35/65/396093565.db2.gz FPNCDKJWLOTEMD-TZMCWYRMSA-N 2 2 322.409 0.445 10 0 DCAELP C[NH+](C)C[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1NC(=O)c1cnco1 ZINC000169791086 396093568 /nfs/dbraw/zinc/09/35/68/396093568.db2.gz FPNCDKJWLOTEMD-TZMCWYRMSA-N 2 2 322.409 0.445 10 0 DCAELP C[C@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000170804598 396097601 /nfs/dbraw/zinc/09/76/01/396097601.db2.gz DGXFRZOZPCLKSU-HZPDHXFCSA-N 2 2 324.469 0.977 10 0 DCAELP CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000171038290 396104557 /nfs/dbraw/zinc/10/45/57/396104557.db2.gz YKNWZXWNVBQECP-ZIAGYGMSSA-N 2 2 300.447 0.737 10 0 DCAELP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000171038290 396104559 /nfs/dbraw/zinc/10/45/59/396104559.db2.gz YKNWZXWNVBQECP-ZIAGYGMSSA-N 2 2 300.447 0.737 10 0 DCAELP Cc1nn(C)c(C)c1C[NH+]1CCN(Cc2noc(C[NH3+])n2)CC1 ZINC000262194045 396109970 /nfs/dbraw/zinc/10/99/70/396109970.db2.gz JXFIRTLNGUYWAD-UHFFFAOYSA-N 2 2 319.413 0.196 10 0 DCAELP [NH3+]C1(C(=O)N2CC[NH+](Cc3ccccn3)CC2)CCOCC1 ZINC000262298383 396119514 /nfs/dbraw/zinc/11/95/14/396119514.db2.gz OEGIJFLCLJQRQC-UHFFFAOYSA-N 2 2 304.394 0.234 10 0 DCAELP COc1ccc(OC(F)F)c(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000263203120 396206256 /nfs/dbraw/zinc/20/62/56/396206256.db2.gz JHRMQAAWWVKJSB-JQWIXIFHSA-N 2 2 302.321 0.967 10 0 DCAELP CS[C@@H]1CN(C(=O)c2n[nH]c3c2C[NH2+]CC3)C[C@@H]1[NH+](C)C ZINC000262828267 396185242 /nfs/dbraw/zinc/18/52/42/396185242.db2.gz YZPIDGWTEONBSE-NWDGAFQWSA-N 2 2 309.439 0.173 10 0 DCAELP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc2c(cc1OC(F)F)OCO2 ZINC000263148005 396203623 /nfs/dbraw/zinc/20/36/23/396203623.db2.gz CWUIXGPWFFVIOH-VHSXEESVSA-N 2 2 316.304 0.687 10 0 DCAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc2c(cc1OC(F)F)OCO2 ZINC000263148003 396203648 /nfs/dbraw/zinc/20/36/48/396203648.db2.gz CWUIXGPWFFVIOH-UWVGGRQHSA-N 2 2 316.304 0.687 10 0 DCAELP CC(C)[C@H](O)CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179293459 396225171 /nfs/dbraw/zinc/22/51/71/396225171.db2.gz ZWCZCXOTTPBXMJ-CQSZACIVSA-N 2 2 300.447 0.329 10 0 DCAELP COc1cc(N2CC[NH+](CCCn3cc[nH+]c3)CC2)ncn1 ZINC000184084660 396284157 /nfs/dbraw/zinc/28/41/57/396284157.db2.gz UGRGJCHPWJDMRN-UHFFFAOYSA-N 2 2 302.382 0.894 10 0 DCAELP c1nc(N2CCC[C@@H]3C[NH2+]CC[C@H]32)cc(N2CCOCC2)[nH+]1 ZINC000634813010 396921665 /nfs/dbraw/zinc/92/16/65/396921665.db2.gz WWCSIRMKWARNNL-ZIAGYGMSSA-N 2 2 303.410 0.892 10 0 DCAELP c1nc(N2CCOCC2)cc(N2CCC[C@@H]3C[NH2+]CC[C@H]32)[nH+]1 ZINC000634813010 396921670 /nfs/dbraw/zinc/92/16/70/396921670.db2.gz WWCSIRMKWARNNL-ZIAGYGMSSA-N 2 2 303.410 0.892 10 0 DCAELP c1c(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)nnn1C[C@@H]1CCOC1 ZINC000631040798 397159928 /nfs/dbraw/zinc/15/99/28/397159928.db2.gz VJHVKNWEUYUBSV-KGLIPLIRSA-N 2 2 305.426 0.889 10 0 DCAELP c1c(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)nnn1C[C@@H]1CCOC1 ZINC000631040798 397159930 /nfs/dbraw/zinc/15/99/30/397159930.db2.gz VJHVKNWEUYUBSV-KGLIPLIRSA-N 2 2 305.426 0.889 10 0 DCAELP C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC[N@H+]1C ZINC000578422395 397433182 /nfs/dbraw/zinc/43/31/82/397433182.db2.gz TYRWRSPRIPCBMB-NEPJUHHUSA-N 2 2 315.377 0.824 10 0 DCAELP C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC[N@@H+]1C ZINC000578422395 397433185 /nfs/dbraw/zinc/43/31/85/397433185.db2.gz TYRWRSPRIPCBMB-NEPJUHHUSA-N 2 2 315.377 0.824 10 0 DCAELP CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000408070603 286620514 /nfs/dbraw/zinc/62/05/14/286620514.db2.gz JYMXAZXESLESQL-ZIAGYGMSSA-N 2 2 303.472 0.922 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](NC(C)=O)C2)CC1 ZINC000076708636 158064520 /nfs/dbraw/zinc/06/45/20/158064520.db2.gz MOZHYFNQNHEDMK-ZFWWWQNUSA-N 2 2 310.442 0.140 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](NC(C)=O)C2)CC1 ZINC000076708636 158064523 /nfs/dbraw/zinc/06/45/23/158064523.db2.gz MOZHYFNQNHEDMK-ZFWWWQNUSA-N 2 2 310.442 0.140 10 0 DCAELP C[C@H](CNC(=O)NC[C@H](C)[NH+]1CCOCC1)C[NH+]1CCCC1 ZINC000079987668 158079946 /nfs/dbraw/zinc/07/99/46/158079946.db2.gz GIZHEGYLGZFLLA-CABCVRRESA-N 2 2 312.458 0.738 10 0 DCAELP Cc1nc(C[C@@H]2CCC[N@@H+](CC(=O)N3CC[NH+](C)CC3)C2)no1 ZINC000093171824 158118217 /nfs/dbraw/zinc/11/82/17/158118217.db2.gz QEDHRUISQSGESP-AWEZNQCLSA-N 2 2 321.425 0.407 10 0 DCAELP Cc1nc(C[C@@H]2CCC[N@H+](CC(=O)N3CC[NH+](C)CC3)C2)no1 ZINC000093171824 158118222 /nfs/dbraw/zinc/11/82/22/158118222.db2.gz QEDHRUISQSGESP-AWEZNQCLSA-N 2 2 321.425 0.407 10 0 DCAELP CCCNC(=O)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119638632 158189426 /nfs/dbraw/zinc/18/94/26/158189426.db2.gz JKBOSANOTCADNU-XYPWUTKMSA-N 2 2 308.470 0.755 10 0 DCAELP CCCNC(=O)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119638632 158189429 /nfs/dbraw/zinc/18/94/29/158189429.db2.gz JKBOSANOTCADNU-XYPWUTKMSA-N 2 2 308.470 0.755 10 0 DCAELP CCCNC(=O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119638632 158189430 /nfs/dbraw/zinc/18/94/30/158189430.db2.gz JKBOSANOTCADNU-XYPWUTKMSA-N 2 2 308.470 0.755 10 0 DCAELP CCCNC(=O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119638632 158189433 /nfs/dbraw/zinc/18/94/33/158189433.db2.gz JKBOSANOTCADNU-XYPWUTKMSA-N 2 2 308.470 0.755 10 0 DCAELP CCS(=O)(=O)NCCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000130875924 158297776 /nfs/dbraw/zinc/29/77/76/158297776.db2.gz VSXXUAPRWKXNDF-UHFFFAOYSA-N 2 2 303.472 0.876 10 0 DCAELP C[C@@H]1CN(c2ccc(CNC(=O)C3([NH3+])CC3)c[nH+]2)C[C@H](C)O1 ZINC000164669651 158363625 /nfs/dbraw/zinc/36/36/25/158363625.db2.gz YZEZHXSYBFTJNF-TXEJJXNPSA-N 2 2 304.394 0.803 10 0 DCAELP [NH3+]CCCNC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000262463711 158815849 /nfs/dbraw/zinc/81/58/49/158815849.db2.gz BKHBOJMCOURZMD-UHFFFAOYSA-N 2 2 315.377 0.991 10 0 DCAELP O=C(NCc1cn2c([nH+]1)CCCC2)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000408029812 160016497 /nfs/dbraw/zinc/01/64/97/160016497.db2.gz JJQPIIAALUNMDJ-AWEZNQCLSA-N 2 2 303.410 0.226 10 0 DCAELP O=C(NCc1cn2c([nH+]1)CCCC2)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000408029812 160016499 /nfs/dbraw/zinc/01/64/99/160016499.db2.gz JJQPIIAALUNMDJ-AWEZNQCLSA-N 2 2 303.410 0.226 10 0 DCAELP C[NH+](C)C1CC[NH+](CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC000362894726 287218337 /nfs/dbraw/zinc/21/83/37/287218337.db2.gz QNJDYWOXSOLBPQ-UHFFFAOYSA-N 3 2 310.486 0.861 10 0 DCAELP C[N@H+]1C[C@H]2[C@@H](C1)[C@@H](c1cc(C(C)(C)C)n[nH]1)[NH2+][C@]2(CO)CCO ZINC000067678374 415380686 /nfs/dbraw/zinc/38/06/86/415380686.db2.gz KBCSRURMQKISDM-LMMLAZSQSA-N 2 2 322.453 0.643 10 0 DCAELP C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H](c1cc(C(C)(C)C)n[nH]1)[NH2+][C@]2(CO)CCO ZINC000067678374 415380692 /nfs/dbraw/zinc/38/06/92/415380692.db2.gz KBCSRURMQKISDM-LMMLAZSQSA-N 2 2 322.453 0.643 10 0 DCAELP C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@@H]2CCCn3ccnc32)C1 ZINC000332677084 415433391 /nfs/dbraw/zinc/43/33/91/415433391.db2.gz DTWIJDMPIDCUNB-STQMWFEESA-N 2 2 307.398 0.390 10 0 DCAELP C[N@H+]1CCO[C@@H](CNC(=O)NC[C@@H]2CCCn3ccnc32)C1 ZINC000332677084 415433399 /nfs/dbraw/zinc/43/33/99/415433399.db2.gz DTWIJDMPIDCUNB-STQMWFEESA-N 2 2 307.398 0.390 10 0 DCAELP C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000332677084 415433405 /nfs/dbraw/zinc/43/34/05/415433405.db2.gz DTWIJDMPIDCUNB-STQMWFEESA-N 2 2 307.398 0.390 10 0 DCAELP C[N@H+]1CCO[C@@H](CNC(=O)NC[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000332677084 415433410 /nfs/dbraw/zinc/43/34/10/415433410.db2.gz DTWIJDMPIDCUNB-STQMWFEESA-N 2 2 307.398 0.390 10 0 DCAELP Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)[C@H]3CCC[NH2+]3)C2=O)n(C)n1 ZINC000333318631 415610415 /nfs/dbraw/zinc/61/04/15/415610415.db2.gz UBFWFYNVKCIYRA-MGPQQGTHSA-N 2 2 305.426 0.954 10 0 DCAELP C[N@H+]1CCO[C@@H](CNC(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000105283458 415633216 /nfs/dbraw/zinc/63/32/16/415633216.db2.gz ZAEVTCAJOCOYRM-AWEZNQCLSA-N 2 2 307.398 0.560 10 0 DCAELP CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000333857370 415751674 /nfs/dbraw/zinc/75/16/74/415751674.db2.gz RFZBGZOWGUAMNY-GFCCVEGCSA-N 2 2 311.430 0.770 10 0 DCAELP C[NH+]1CCN(c2ncc(CN3CC[NH+](C4CC4)CC3)cn2)CC1 ZINC000127928379 415893427 /nfs/dbraw/zinc/89/34/27/415893427.db2.gz KXZIFSAJJGOETG-UHFFFAOYSA-N 2 2 316.453 0.508 10 0 DCAELP CNc1cc(N2CCC[C@@H]2CNC(=O)NCC[NH+](C)C)nc[nH+]1 ZINC000133784753 415951368 /nfs/dbraw/zinc/95/13/68/415951368.db2.gz FZEYPNWAUVTELM-GFCCVEGCSA-N 2 2 321.429 0.348 10 0 DCAELP CNc1cc(N2CCC[C@@H]2CNC(=O)NCC[NH+](C)C)[nH+]cn1 ZINC000133784753 415951375 /nfs/dbraw/zinc/95/13/75/415951375.db2.gz FZEYPNWAUVTELM-GFCCVEGCSA-N 2 2 321.429 0.348 10 0 DCAELP CNC(=O)C[NH+]1CCC(CN(C)c2cc(C)[nH+]c(C)n2)CC1 ZINC000301385206 416083487 /nfs/dbraw/zinc/08/34/87/416083487.db2.gz VJDVILROYHBOML-UHFFFAOYSA-N 2 2 305.426 0.988 10 0 DCAELP C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000182705213 416229266 /nfs/dbraw/zinc/22/92/66/416229266.db2.gz PYFIGGKSQMAIDL-RBSFLKMASA-N 2 2 310.442 0.443 10 0 DCAELP C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000182705213 416229272 /nfs/dbraw/zinc/22/92/72/416229272.db2.gz PYFIGGKSQMAIDL-RBSFLKMASA-N 2 2 310.442 0.443 10 0 DCAELP C[NH+]1CCO[C@H](CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)C1 ZINC000182705213 416229275 /nfs/dbraw/zinc/22/92/75/416229275.db2.gz PYFIGGKSQMAIDL-RBSFLKMASA-N 2 2 310.442 0.443 10 0 DCAELP C[NH+]1CCO[C@H](CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)C1 ZINC000182705213 416229280 /nfs/dbraw/zinc/22/92/80/416229280.db2.gz PYFIGGKSQMAIDL-RBSFLKMASA-N 2 2 310.442 0.443 10 0 DCAELP C[C@H]1CN(CC[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CCO1 ZINC000249276132 416334112 /nfs/dbraw/zinc/33/41/12/416334112.db2.gz LASBGODDFJEBNA-ZWKOTPCHSA-N 2 2 324.513 0.809 10 0 DCAELP C[C@H]1CN(CC[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)CCO1 ZINC000249276132 416334113 /nfs/dbraw/zinc/33/41/13/416334113.db2.gz LASBGODDFJEBNA-ZWKOTPCHSA-N 2 2 324.513 0.809 10 0 DCAELP COC(=O)[C@H](C1CC1)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000359586273 416352100 /nfs/dbraw/zinc/35/21/00/416352100.db2.gz NBROYFKELMQSEA-IMJJTQAJSA-N 2 2 309.454 0.896 10 0 DCAELP COC(=O)[C@H](C1CC1)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000359586273 416352102 /nfs/dbraw/zinc/35/21/02/416352102.db2.gz NBROYFKELMQSEA-IMJJTQAJSA-N 2 2 309.454 0.896 10 0 DCAELP CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515629 416326449 /nfs/dbraw/zinc/32/64/49/416326449.db2.gz HQMCPJWVMWRYQT-GFCCVEGCSA-N 2 2 305.382 0.661 10 0 DCAELP CCNC(=O)NC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515629 416326450 /nfs/dbraw/zinc/32/64/50/416326450.db2.gz HQMCPJWVMWRYQT-GFCCVEGCSA-N 2 2 305.382 0.661 10 0 DCAELP C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000519581550 416920665 /nfs/dbraw/zinc/92/06/65/416920665.db2.gz VIXUKEYPHSPXCO-NSHDSACASA-N 2 2 301.350 0.435 10 0 DCAELP C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000519581550 416920671 /nfs/dbraw/zinc/92/06/71/416920671.db2.gz VIXUKEYPHSPXCO-NSHDSACASA-N 2 2 301.350 0.435 10 0 DCAELP O[C@@H](C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)C(F)(F)F ZINC000408230709 417149567 /nfs/dbraw/zinc/14/95/67/417149567.db2.gz CSUSAYOPYCASSE-NSHDSACASA-N 2 2 312.332 0.069 10 0 DCAELP CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000577020325 417656265 /nfs/dbraw/zinc/65/62/65/417656265.db2.gz HHKLCLPBIWARNE-UHFFFAOYSA-N 2 2 303.366 0.777 10 0 DCAELP CC[N@H+](CCO)CCNC(=O)NCc1[nH+]ccn1CC(C)C ZINC000187323868 261123925 /nfs/dbraw/zinc/12/39/25/261123925.db2.gz XOYKPVKWHJPMAM-UHFFFAOYSA-N 2 2 311.430 0.653 10 0 DCAELP CC[N@@H+](CCO)CCNC(=O)NCc1[nH+]ccn1CC(C)C ZINC000187323868 261123927 /nfs/dbraw/zinc/12/39/27/261123927.db2.gz XOYKPVKWHJPMAM-UHFFFAOYSA-N 2 2 311.430 0.653 10 0 DCAELP C[C@H](CNC(=O)NCCC[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000193202929 261140553 /nfs/dbraw/zinc/14/05/53/261140553.db2.gz NFZVSMASVJPCGV-OAHLLOKOSA-N 2 2 312.458 0.882 10 0 DCAELP CC1=CC[N@H+](CCNC(=O)NCc2c[nH+]c(N(C)C)n2C)CC1 ZINC000547273388 288035455 /nfs/dbraw/zinc/03/54/55/288035455.db2.gz VMVRGHBLOJXOSQ-UHFFFAOYSA-N 2 2 320.441 0.937 10 0 DCAELP CC1=CC[N@@H+](CCNC(=O)NCc2c[nH+]c(N(C)C)n2C)CC1 ZINC000547273388 288035456 /nfs/dbraw/zinc/03/54/56/288035456.db2.gz VMVRGHBLOJXOSQ-UHFFFAOYSA-N 2 2 320.441 0.937 10 0 DCAELP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000247007326 279294453 /nfs/dbraw/zinc/29/44/53/279294453.db2.gz OHCVAFVPJNWRRK-HUUCEWRRSA-N 2 2 310.442 0.587 10 0 DCAELP CC[N@H+]1CCC[C@@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000247007326 279294455 /nfs/dbraw/zinc/29/44/55/279294455.db2.gz OHCVAFVPJNWRRK-HUUCEWRRSA-N 2 2 310.442 0.587 10 0 DCAELP C[NH+](C)[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000377280093 289296007 /nfs/dbraw/zinc/29/60/07/289296007.db2.gz YEXXXXOAXCCJHT-ZIAGYGMSSA-N 2 2 310.442 0.126 10 0 DCAELP C[NH+](C)[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000377280093 289296009 /nfs/dbraw/zinc/29/60/09/289296009.db2.gz YEXXXXOAXCCJHT-ZIAGYGMSSA-N 2 2 310.442 0.126 10 0 DCAELP NC(=O)c1cnn2c1C[C@@H](C[NH2+]Cc1cccc3[nH+]ccn31)CC2 ZINC000299742241 534514332 /nfs/dbraw/zinc/51/43/32/534514332.db2.gz JDUQWAMXQGPKIE-LBPRGKRZSA-N 2 2 324.388 0.982 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](CO)c2ccccc2)CC1 ZINC000182919696 521667777 /nfs/dbraw/zinc/66/77/77/521667777.db2.gz VIAYUWPDJYUEPF-GOEBONIOSA-N 2 2 305.422 0.862 10 0 DCAELP CC[N@@H+]1CC[C@@H](N(C)C(=O)c2n[nH]c3c2C[NH2+]CC3)[C@@H](C)C1 ZINC000249003848 521712206 /nfs/dbraw/zinc/71/22/06/521712206.db2.gz RSZJBRKFJFQFGB-SMDDNHRTSA-N 2 2 305.426 0.858 10 0 DCAELP CC[N@H+]1CC[C@@H](N(C)C(=O)c2n[nH]c3c2C[NH2+]CC3)[C@@H](C)C1 ZINC000249003848 521712209 /nfs/dbraw/zinc/71/22/09/521712209.db2.gz RSZJBRKFJFQFGB-SMDDNHRTSA-N 2 2 305.426 0.858 10 0 DCAELP C[N@@H+]1CC[C@H]2OCCN(C(=O)Cc3cn4ccccc4[nH+]3)[C@@H]2C1 ZINC000285736895 536479790 /nfs/dbraw/zinc/47/97/90/536479790.db2.gz KUFZXKNWFAZFPK-HUUCEWRRSA-N 2 2 314.389 0.808 10 0 DCAELP C[N@H+]1CC[C@H]2OCCN(C(=O)Cc3cn4ccccc4[nH+]3)[C@@H]2C1 ZINC000285736895 536479791 /nfs/dbraw/zinc/47/97/91/536479791.db2.gz KUFZXKNWFAZFPK-HUUCEWRRSA-N 2 2 314.389 0.808 10 0 DCAELP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)C2([NH3+])CCCC2)CC1 ZINC000178886881 545896876 /nfs/dbraw/zinc/89/68/76/545896876.db2.gz FGDKOTWPXLFLSM-UHFFFAOYSA-N 2 2 319.453 0.953 10 0 DCAELP CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000246110009 545963219 /nfs/dbraw/zinc/96/32/19/545963219.db2.gz ZRIFFZFVMWZORQ-QLFBSQMISA-N 2 2 318.483 0.779 10 0 DCAELP Cn1cc(C[NH+]2CCN(C(=O)[C@@H]3CCC[C@@H]3C[NH3+])CC2)cn1 ZINC000261861993 545977531 /nfs/dbraw/zinc/97/75/31/545977531.db2.gz RJZNSSNSPFOFBK-HUUCEWRRSA-N 2 2 305.426 0.439 10 0 DCAELP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)CCc1[nH]cc[nH+]1)C2 ZINC000888095264 661165865 /nfs/dbraw/zinc/16/58/65/661165865.db2.gz SZPKIOLJGPRDAB-UTJXIGIESA-N 2 2 320.437 0.938 10 0 DCAELP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)CCc1[nH]cc[nH+]1)C2 ZINC000888095264 661165867 /nfs/dbraw/zinc/16/58/67/661165867.db2.gz SZPKIOLJGPRDAB-UTJXIGIESA-N 2 2 320.437 0.938 10 0 DCAELP [NH3+]C1(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CCOCC1 ZINC000261549140 661300069 /nfs/dbraw/zinc/30/00/69/661300069.db2.gz OFWBHDOKILOTQP-UHFFFAOYSA-N 2 2 303.406 0.839 10 0 DCAELP C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCC([NH+](C)C)CC1 ZINC000408113957 295730303 /nfs/dbraw/zinc/73/03/03/295730303.db2.gz ZLUCBIZMQSYVHD-STQMWFEESA-N 2 2 310.442 0.125 10 0 DCAELP C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000264251070 186327519 /nfs/dbraw/zinc/32/75/19/186327519.db2.gz BMIQIYHJOYKMIO-CHWSQXEVSA-N 2 2 307.398 0.629 10 0 DCAELP C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000264251070 186327521 /nfs/dbraw/zinc/32/75/21/186327521.db2.gz BMIQIYHJOYKMIO-CHWSQXEVSA-N 2 2 307.398 0.629 10 0 DCAELP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188735337 200297757 /nfs/dbraw/zinc/29/77/57/200297757.db2.gz ASSZKZJLNDIBCK-UHFFFAOYSA-N 2 2 323.360 0.566 10 0 DCAELP CC(C)[C@@H](CNC(=O)c1[nH]nc2c1C[NH2+]CC2)[NH+]1CCOCC1 ZINC000188707618 200292280 /nfs/dbraw/zinc/29/22/80/200292280.db2.gz KNJMAFXJJHMSKC-CQSZACIVSA-N 2 2 321.425 0.142 10 0 DCAELP C[C@@H](CNC(=O)NC[C@H]1CCc2[nH+]ccn2C1)[NH+]1CCOCC1 ZINC000275307627 212263137 /nfs/dbraw/zinc/26/31/37/212263137.db2.gz HPHWTFBPWISPRM-UONOGXRCSA-N 2 2 321.425 0.465 10 0 DCAELP C[C@]1(C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)CC[NH2+]C1 ZINC000261910219 291380517 /nfs/dbraw/zinc/38/05/17/291380517.db2.gz YCQIZIBFKFYUNU-KGLIPLIRSA-N 2 2 301.456 0.486 10 0 DCAELP C[C@]1(C[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)CC[NH2+]C1 ZINC000261910219 291380520 /nfs/dbraw/zinc/38/05/20/291380520.db2.gz YCQIZIBFKFYUNU-KGLIPLIRSA-N 2 2 301.456 0.486 10 0 DCAELP C[C@@H]1CN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)C[C@@H]1[NH+](C)C ZINC000274965964 212046141 /nfs/dbraw/zinc/04/61/41/212046141.db2.gz XGPLUGNSNHUWNJ-OLZOCXBDSA-N 2 2 318.425 0.141 10 0 DCAELP CC(C)(CNC(=O)N1CC[NH+](C2CC2)CC1)[NH+]1CCOCC1 ZINC000105079199 194070572 /nfs/dbraw/zinc/07/05/72/194070572.db2.gz VXCBSQVRARRAKT-UHFFFAOYSA-N 2 2 310.442 0.587 10 0 DCAELP C[C@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCO1)C[NH+]1CCCCC1 ZINC000105167636 194080314 /nfs/dbraw/zinc/08/03/14/194080314.db2.gz MUCCVDMIOXHYCP-HUUCEWRRSA-N 2 2 312.458 0.738 10 0 DCAELP C[C@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1)C[NH+]1CCCCC1 ZINC000105167636 194080315 /nfs/dbraw/zinc/08/03/15/194080315.db2.gz MUCCVDMIOXHYCP-HUUCEWRRSA-N 2 2 312.458 0.738 10 0 DCAELP COC(=O)[C@H](C)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000119612789 195002723 /nfs/dbraw/zinc/00/27/23/195002723.db2.gz KPGHHDLKVXCYKA-ZDUSSCGKSA-N 2 2 311.426 0.424 10 0 DCAELP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000174233562 285230658 /nfs/dbraw/zinc/23/06/58/285230658.db2.gz SOCWOQSNIISGST-HZPDHXFCSA-N 2 2 324.469 0.977 10 0 DCAELP CC[N@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000174233562 285230659 /nfs/dbraw/zinc/23/06/59/285230659.db2.gz SOCWOQSNIISGST-HZPDHXFCSA-N 2 2 324.469 0.977 10 0 DCAELP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000283828749 131027533 /nfs/dbraw/zinc/02/75/33/131027533.db2.gz FARPWTNWZKJYRT-HZSPNIEDSA-N 2 2 307.398 0.386 10 0 DCAELP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000283828749 131027535 /nfs/dbraw/zinc/02/75/35/131027535.db2.gz FARPWTNWZKJYRT-HZSPNIEDSA-N 2 2 307.398 0.386 10 0 DCAELP O[C@H](CN1CCOCC1)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195519388 395831859 /nfs/dbraw/zinc/83/18/59/395831859.db2.gz YEAYVYVQVDSDFG-HZPDHXFCSA-N 2 2 320.437 0.509 10 0 DCAELP O[C@H](CN1CCOCC1)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195519388 395831863 /nfs/dbraw/zinc/83/18/63/395831863.db2.gz YEAYVYVQVDSDFG-HZPDHXFCSA-N 2 2 320.437 0.509 10 0 DCAELP C[NH+]1CCC(CNC(=O)[C@H]2CCC[NH2+]2)([NH+]2CCCCC2)CC1 ZINC000237159328 395905283 /nfs/dbraw/zinc/90/52/83/395905283.db2.gz WIDLISQXDHPCQQ-OAHLLOKOSA-N 3 2 308.470 0.805 10 0 DCAELP O=c1n2ccccc2nn1CC[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000261668839 396054873 /nfs/dbraw/zinc/05/48/73/396054873.db2.gz GZDVNOOELPGJOQ-UHFFFAOYSA-N 2 2 315.421 0.960 10 0 DCAELP COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249925804 396013794 /nfs/dbraw/zinc/01/37/94/396013794.db2.gz ZWVVZLMMTWWRFQ-OLZOCXBDSA-N 2 2 320.393 0.493 10 0 DCAELP COC(=O)CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249925804 396013796 /nfs/dbraw/zinc/01/37/96/396013796.db2.gz ZWVVZLMMTWWRFQ-OLZOCXBDSA-N 2 2 320.393 0.493 10 0 DCAELP CC[NH+]1CCN(CC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000066696932 396013810 /nfs/dbraw/zinc/01/38/10/396013810.db2.gz JYJBDOFVXGADBA-UHFFFAOYSA-N 2 2 317.437 0.368 10 0 DCAELP O=C(C[C@@H]1C[NH2+]CCO1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000262143698 396103312 /nfs/dbraw/zinc/10/33/12/396103312.db2.gz MPVNVPUGJHZTAL-CQSZACIVSA-N 2 2 304.394 0.545 10 0 DCAELP Cn1cc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)c(C(C)(C)C)n1 ZINC000262324896 396124605 /nfs/dbraw/zinc/12/46/05/396124605.db2.gz RMRFFESYOTVUHJ-UHFFFAOYSA-N 2 2 307.442 0.581 10 0 DCAELP Cn1cc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)c(C(C)(C)C)n1 ZINC000262324896 396124607 /nfs/dbraw/zinc/12/46/07/396124607.db2.gz RMRFFESYOTVUHJ-UHFFFAOYSA-N 2 2 307.442 0.581 10 0 DCAELP CCCS(=O)(=O)NC1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261929121 396080142 /nfs/dbraw/zinc/08/01/42/396080142.db2.gz COHDRFASJGNEJG-CQSZACIVSA-N 2 2 303.472 0.780 10 0 DCAELP C[C@@H]1CN(c2ccc(CNC(=O)C3C[NH2+]C3)c[nH+]2)C[C@@H](C)O1 ZINC000263305093 396212809 /nfs/dbraw/zinc/21/28/09/396212809.db2.gz OEGMJTMWPIWUKW-VXGBXAGGSA-N 2 2 304.394 0.531 10 0 DCAELP Cc1ccc([C@H](CNC(=O)C2C[NH2+]C2)[NH+]2CCOCC2)s1 ZINC000263262204 396210495 /nfs/dbraw/zinc/21/04/95/396210495.db2.gz GOWVHUBUIWXKFE-ZDUSSCGKSA-N 2 2 309.435 0.765 10 0 DCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nc(N)nc(N(C)C)n1 ZINC000177210795 396168827 /nfs/dbraw/zinc/16/88/27/396168827.db2.gz VPHDRZFJGAPUBH-LBPRGKRZSA-N 2 2 316.413 0.689 10 0 DCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nc(N)nc(N(C)C)n1 ZINC000177210795 396168831 /nfs/dbraw/zinc/16/88/31/396168831.db2.gz VPHDRZFJGAPUBH-LBPRGKRZSA-N 2 2 316.413 0.689 10 0 DCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000178284340 396192933 /nfs/dbraw/zinc/19/29/33/396192933.db2.gz HUGWSTDFBUMCMB-ZDUSSCGKSA-N 2 2 317.393 0.254 10 0 DCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000178284340 396192936 /nfs/dbraw/zinc/19/29/36/396192936.db2.gz HUGWSTDFBUMCMB-ZDUSSCGKSA-N 2 2 317.393 0.254 10 0 DCAELP O=C(NCCC[NH+]1CCOCC1)NCc1cn2c([nH+]1)CCCC2 ZINC000263806375 396233267 /nfs/dbraw/zinc/23/32/67/396233267.db2.gz XWICQKSDFIEHKJ-UHFFFAOYSA-N 2 2 321.425 0.741 10 0 DCAELP CC1=CC[N@H+](CCNC(=O)NCC2([NH+]3CCOCC3)CC2)CC1 ZINC000577810887 397362298 /nfs/dbraw/zinc/36/22/98/397362298.db2.gz BXYWKAVDUBLMNW-UHFFFAOYSA-N 2 2 322.453 0.802 10 0 DCAELP COC(=O)[C@]1(C)CCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000614588816 397476493 /nfs/dbraw/zinc/47/64/93/397476493.db2.gz OTMJNHHBLZLPEW-KRWDZBQOSA-N 2 2 323.437 0.757 10 0 DCAELP COC(=O)[C@]1(C)CCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000614588816 397476498 /nfs/dbraw/zinc/47/64/98/397476498.db2.gz OTMJNHHBLZLPEW-KRWDZBQOSA-N 2 2 323.437 0.757 10 0 DCAELP C[C@@H](CNC(=O)NC[C@H](C)[NH+]1CCOCC1)C[NH+]1CCCC1 ZINC000079987665 158079936 /nfs/dbraw/zinc/07/99/36/158079936.db2.gz GIZHEGYLGZFLLA-GJZGRUSLSA-N 2 2 312.458 0.738 10 0 DCAELP Cc1nc(C[C@H]2CCC[N@@H+](CC(=O)N3CC[NH+](C)CC3)C2)no1 ZINC000093171826 158118595 /nfs/dbraw/zinc/11/85/95/158118595.db2.gz QEDHRUISQSGESP-CQSZACIVSA-N 2 2 321.425 0.407 10 0 DCAELP Cc1nc(C[C@H]2CCC[N@H+](CC(=O)N3CC[NH+](C)CC3)C2)no1 ZINC000093171826 158118596 /nfs/dbraw/zinc/11/85/96/158118596.db2.gz QEDHRUISQSGESP-CQSZACIVSA-N 2 2 321.425 0.407 10 0 DCAELP O=C(Cc1cn2ccccc2[nH+]1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000114854587 158157903 /nfs/dbraw/zinc/15/79/03/158157903.db2.gz ATUKEDBBUSBVBK-OAHLLOKOSA-N 2 2 314.389 0.856 10 0 DCAELP O=C(Cc1cn2ccccc2[nH+]1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000114854587 158157905 /nfs/dbraw/zinc/15/79/05/158157905.db2.gz ATUKEDBBUSBVBK-OAHLLOKOSA-N 2 2 314.389 0.856 10 0 DCAELP C[C@@H](NC(=O)NC[C@H]1C[N@H+](C)CCO1)C(C)(C)C[NH+](C)C ZINC000119444245 158187690 /nfs/dbraw/zinc/18/76/90/158187690.db2.gz ZORWKUHEUQGPPU-OLZOCXBDSA-N 2 2 300.447 0.593 10 0 DCAELP C[C@@H](NC(=O)NC[C@H]1C[N@@H+](C)CCO1)C(C)(C)C[NH+](C)C ZINC000119444245 158187691 /nfs/dbraw/zinc/18/76/91/158187691.db2.gz ZORWKUHEUQGPPU-OLZOCXBDSA-N 2 2 300.447 0.593 10 0 DCAELP COc1ccccc1CC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000120980422 158206361 /nfs/dbraw/zinc/20/63/61/158206361.db2.gz UXHVQJIMNYCNEA-UHFFFAOYSA-N 2 2 305.422 0.944 10 0 DCAELP COc1ccccc1CC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000120980422 158206363 /nfs/dbraw/zinc/20/63/63/158206363.db2.gz UXHVQJIMNYCNEA-UHFFFAOYSA-N 2 2 305.422 0.944 10 0 DCAELP CCOCCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000122518082 158221735 /nfs/dbraw/zinc/22/17/35/158221735.db2.gz SWBOCGLURINMLH-XYPWUTKMSA-N 2 2 324.469 0.975 10 0 DCAELP CCOCCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000122518082 158221737 /nfs/dbraw/zinc/22/17/37/158221737.db2.gz SWBOCGLURINMLH-XYPWUTKMSA-N 2 2 324.469 0.975 10 0 DCAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)NCCCN2CCCC2=O)CC[N@@H+]1C ZINC000123697007 158232883 /nfs/dbraw/zinc/23/28/83/158232883.db2.gz IYVLZTUWAXLFMM-GJZGRUSLSA-N 2 2 324.469 0.530 10 0 DCAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)NCCCN2CCCC2=O)CC[N@H+]1C ZINC000123697007 158232886 /nfs/dbraw/zinc/23/28/86/158232886.db2.gz IYVLZTUWAXLFMM-GJZGRUSLSA-N 2 2 324.469 0.530 10 0 DCAELP C[C@H]1C[C@@H]([N@H+](C)CC(=O)NCCCN2CCCC2=O)CC[NH+]1C ZINC000123697007 158232888 /nfs/dbraw/zinc/23/28/88/158232888.db2.gz IYVLZTUWAXLFMM-GJZGRUSLSA-N 2 2 324.469 0.530 10 0 DCAELP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)NCCCN2CCCC2=O)CC[NH+]1C ZINC000123697007 158232889 /nfs/dbraw/zinc/23/28/89/158232889.db2.gz IYVLZTUWAXLFMM-GJZGRUSLSA-N 2 2 324.469 0.530 10 0 DCAELP O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@H]1COCC[NH2+]1 ZINC000165948055 158366089 /nfs/dbraw/zinc/36/60/89/158366089.db2.gz NMFYVRHBUXXCDX-OAHLLOKOSA-N 2 2 305.378 0.446 10 0 DCAELP C[C@H]([C@H](C)NC(=O)N1CCC[N@@H+](C2CC2)CC1)[NH+]1CCOCC1 ZINC000171715925 158386620 /nfs/dbraw/zinc/38/66/20/158386620.db2.gz UIEGYGIUWNVCEE-LSDHHAIUSA-N 2 2 324.469 0.975 10 0 DCAELP C[C@H]([C@H](C)NC(=O)N1CCC[N@H+](C2CC2)CC1)[NH+]1CCOCC1 ZINC000171715925 158386622 /nfs/dbraw/zinc/38/66/22/158386622.db2.gz UIEGYGIUWNVCEE-LSDHHAIUSA-N 2 2 324.469 0.975 10 0 DCAELP C[C@@]1(C[NH+]2CCN(c3cncc4ncnn43)CC2)CC[NH2+]C1 ZINC000262035869 158765907 /nfs/dbraw/zinc/76/59/07/158765907.db2.gz OOQUCGDDZCUPIE-OAHLLOKOSA-N 2 2 301.398 0.246 10 0 DCAELP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173823103 416066244 /nfs/dbraw/zinc/06/62/44/416066244.db2.gz WKIQJSZOYNDWOJ-GJZGRUSLSA-N 2 2 312.458 0.833 10 0 DCAELP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173823103 416066246 /nfs/dbraw/zinc/06/62/46/416066246.db2.gz WKIQJSZOYNDWOJ-GJZGRUSLSA-N 2 2 312.458 0.833 10 0 DCAELP C[C@H](CNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000175772343 416115149 /nfs/dbraw/zinc/11/51/49/416115149.db2.gz HYCVHRJUDAADMF-KFWWJZLASA-N 2 2 312.458 0.879 10 0 DCAELP Cc1cc(N2CCC[C@H]([NH2+]C3CC[NH+](C)CC3)C2=O)n(C)n1 ZINC000182356880 416219391 /nfs/dbraw/zinc/21/93/91/416219391.db2.gz BIOFFVIBNXSHEO-AWEZNQCLSA-N 2 2 305.426 0.908 10 0 DCAELP COCc1nc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)no1 ZINC000182442540 416222584 /nfs/dbraw/zinc/22/25/84/416222584.db2.gz OQUKTYARBHWEDA-LBPRGKRZSA-N 2 2 312.414 0.741 10 0 DCAELP COCc1nc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)no1 ZINC000182442540 416222586 /nfs/dbraw/zinc/22/25/86/416222586.db2.gz OQUKTYARBHWEDA-LBPRGKRZSA-N 2 2 312.414 0.741 10 0 DCAELP c1[nH+]c2n(c1C[NH2+][C@@H]1CCN(c3ccc4nncn4n3)C1)CCC2 ZINC000623651967 416865332 /nfs/dbraw/zinc/86/53/32/416865332.db2.gz ZZCXIEQTNJEXMX-GFCCVEGCSA-N 2 2 324.392 0.636 10 0 DCAELP C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000519581547 416919464 /nfs/dbraw/zinc/91/94/64/416919464.db2.gz VIXUKEYPHSPXCO-LLVKDONJSA-N 2 2 301.350 0.435 10 0 DCAELP C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000519581547 416919468 /nfs/dbraw/zinc/91/94/68/416919468.db2.gz VIXUKEYPHSPXCO-LLVKDONJSA-N 2 2 301.350 0.435 10 0 DCAELP CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CC3CCC2(C[NH3+])CC3)CC1 ZINC000576957976 417651136 /nfs/dbraw/zinc/65/11/36/417651136.db2.gz UYAXSPLDWYYELK-BZOOQXSSSA-N 2 2 322.453 0.269 10 0 DCAELP CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CC3CCC2(C[NH3+])CC3)CC1 ZINC000576957976 417651140 /nfs/dbraw/zinc/65/11/40/417651140.db2.gz UYAXSPLDWYYELK-BZOOQXSSSA-N 2 2 322.453 0.269 10 0 DCAELP CC1=CC[NH+](CCNC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)CC1 ZINC000547272805 288035326 /nfs/dbraw/zinc/03/53/26/288035326.db2.gz QIKTWELERMOFJN-OAHLLOKOSA-N 2 2 309.458 0.183 10 0 DCAELP CC1=CC[NH+](CCNC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)CC1 ZINC000547272805 288035327 /nfs/dbraw/zinc/03/53/27/288035327.db2.gz QIKTWELERMOFJN-OAHLLOKOSA-N 2 2 309.458 0.183 10 0 DCAELP CC1=CC[N@H+](CCNC(=O)NC[C@@H]2CN(C)CC[NH+]2C)CC1 ZINC000547272805 288035328 /nfs/dbraw/zinc/03/53/28/288035328.db2.gz QIKTWELERMOFJN-OAHLLOKOSA-N 2 2 309.458 0.183 10 0 DCAELP CC1=CC[N@@H+](CCNC(=O)NC[C@@H]2CN(C)CC[NH+]2C)CC1 ZINC000547272805 288035330 /nfs/dbraw/zinc/03/53/30/288035330.db2.gz QIKTWELERMOFJN-OAHLLOKOSA-N 2 2 309.458 0.183 10 0 DCAELP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H](O)CC(F)(F)F)CC1 ZINC000364951091 295151582 /nfs/dbraw/zinc/15/15/82/295151582.db2.gz PYCYZJAKDKWFKK-NWDGAFQWSA-N 2 2 323.359 0.714 10 0 DCAELP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](C[C@@H](O)CC(F)(F)F)CC1 ZINC000364951091 295151583 /nfs/dbraw/zinc/15/15/83/295151583.db2.gz PYCYZJAKDKWFKK-NWDGAFQWSA-N 2 2 323.359 0.714 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](n3cncn3)C2)CC1 ZINC000247073274 521667017 /nfs/dbraw/zinc/66/70/17/521667017.db2.gz GQQKRZHASZOBRD-HUUCEWRRSA-N 2 2 320.441 0.468 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](n3cncn3)C2)CC1 ZINC000247073274 521667021 /nfs/dbraw/zinc/66/70/21/521667021.db2.gz GQQKRZHASZOBRD-HUUCEWRRSA-N 2 2 320.441 0.468 10 0 DCAELP CN1CCN(C(=O)NC2CC[NH+](C)CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000681853926 548307142 /nfs/dbraw/zinc/30/71/42/548307142.db2.gz WEVOTJUGJGYDSO-ZDUSSCGKSA-N 2 2 306.414 0.502 10 0 DCAELP C[C@@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2)C[C@@H]1[NH+]1CCOCC1 ZINC000178860158 661665927 /nfs/dbraw/zinc/66/59/27/661665927.db2.gz VUHWZIQZYYNTRB-VNQPRFMTSA-N 2 2 303.406 0.866 10 0 DCAELP C[N@H+](CCn1cnnn1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000712612802 670149439 /nfs/dbraw/zinc/14/94/39/670149439.db2.gz JBNSAZZEASMMAF-INIZCTEOSA-N 2 2 316.409 0.242 10 0 DCAELP C[N@@H+](CCn1cnnn1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000712612802 670149443 /nfs/dbraw/zinc/14/94/43/670149443.db2.gz JBNSAZZEASMMAF-INIZCTEOSA-N 2 2 316.409 0.242 10 0 DCAELP C[NH+](CCn1cnnn1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000712612802 670149448 /nfs/dbraw/zinc/14/94/48/670149448.db2.gz JBNSAZZEASMMAF-INIZCTEOSA-N 2 2 316.409 0.242 10 0 DCAELP C[NH+](CCn1cnnn1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000712612802 670149452 /nfs/dbraw/zinc/14/94/52/670149452.db2.gz JBNSAZZEASMMAF-INIZCTEOSA-N 2 2 316.409 0.242 10 0 DCAELP C[NH+]1CCC(CNC(=O)[C@H]2C[NH2+]CCO2)([NH+]2CCCCC2)CC1 ZINC000188282060 200220805 /nfs/dbraw/zinc/22/08/05/200220805.db2.gz DQHVPYILUSVYQF-OAHLLOKOSA-N 3 2 324.469 0.041 10 0 DCAELP CCCC(=O)N[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093170426 193210100 /nfs/dbraw/zinc/21/01/00/193210100.db2.gz XJTLNLPXNDLKEZ-AWEZNQCLSA-N 2 2 310.442 0.141 10 0 DCAELP CCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093170426 193210102 /nfs/dbraw/zinc/21/01/02/193210102.db2.gz XJTLNLPXNDLKEZ-AWEZNQCLSA-N 2 2 310.442 0.141 10 0 DCAELP CC[NH+]1CCN(S(=O)(=O)c2ccc(F)c(C[NH3+])c2)CC1 ZINC000020189109 182195323 /nfs/dbraw/zinc/19/53/23/182195323.db2.gz OFVAFGTWNDZHII-UHFFFAOYSA-N 2 2 301.387 0.611 10 0 DCAELP CC[NH+]1CCN(S(=O)(=O)c2ccc(OC)c(C[NH3+])c2)CC1 ZINC000020189928 182195660 /nfs/dbraw/zinc/19/56/60/182195660.db2.gz GDJCWVYWIKUYMR-UHFFFAOYSA-N 2 2 313.423 0.480 10 0 DCAELP CC[NH+]1CCN(S(=O)(=O)c2ccc(CCC[NH3+])cc2)CC1 ZINC000020269702 182202222 /nfs/dbraw/zinc/20/22/22/182202222.db2.gz HFPMFFFLHXLIEF-UHFFFAOYSA-N 2 2 311.451 0.904 10 0 DCAELP O=C(c1ccc2c(c1)C[NH2+]C2)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000262335649 296233953 /nfs/dbraw/zinc/23/39/53/296233953.db2.gz SYZDTWYECWNZAW-INIZCTEOSA-N 2 2 301.390 0.837 10 0 DCAELP C[N@@H+]1CCO[C@@H](CNC(=O)NCCCCNc2cccc[nH+]2)C1 ZINC000105279818 194092509 /nfs/dbraw/zinc/09/25/09/194092509.db2.gz DCOIYIJSMCGIJR-AWEZNQCLSA-N 2 2 321.425 0.904 10 0 DCAELP C[N@H+]1CCO[C@@H](CNC(=O)NCCCCNc2cccc[nH+]2)C1 ZINC000105279818 194092512 /nfs/dbraw/zinc/09/25/12/194092512.db2.gz DCOIYIJSMCGIJR-AWEZNQCLSA-N 2 2 321.425 0.904 10 0 DCAELP CO[C@H]1C[C@@H](C(=O)N2CCN(c3c[nH+]ccc3C)CC2)[N@H+](C)C1 ZINC000346951972 254117909 /nfs/dbraw/zinc/11/79/09/254117909.db2.gz KLXCOAKAXYMEDU-GJZGRUSLSA-N 2 2 318.421 0.758 10 0 DCAELP CO[C@H]1C[C@@H](C(=O)N2CCN(c3c[nH+]ccc3C)CC2)[N@@H+](C)C1 ZINC000346951972 254117910 /nfs/dbraw/zinc/11/79/10/254117910.db2.gz KLXCOAKAXYMEDU-GJZGRUSLSA-N 2 2 318.421 0.758 10 0 DCAELP Cc1[nH+]ccn1CCCNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000283942385 131035482 /nfs/dbraw/zinc/03/54/82/131035482.db2.gz JURZUFGTUGKVOY-GJZGRUSLSA-N 2 2 321.425 0.696 10 0 DCAELP Cc1[nH+]ccn1CCCNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000283942385 131035484 /nfs/dbraw/zinc/03/54/84/131035484.db2.gz JURZUFGTUGKVOY-GJZGRUSLSA-N 2 2 321.425 0.696 10 0 DCAELP O=C(C1CC[NH+](C2CC2)CC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000194692876 395804470 /nfs/dbraw/zinc/80/44/70/395804470.db2.gz IYLSLDJPRYRZFF-INIZCTEOSA-N 2 2 307.438 0.794 10 0 DCAELP C[NH+](C)CCN(Cc1ccco1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000125896545 395907311 /nfs/dbraw/zinc/90/73/11/395907311.db2.gz IMVAMYSQSXCGHR-OAHLLOKOSA-N 2 2 324.425 0.683 10 0 DCAELP C[NH+](C)CCN(Cc1ccco1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000125896545 395907314 /nfs/dbraw/zinc/90/73/14/395907314.db2.gz IMVAMYSQSXCGHR-OAHLLOKOSA-N 2 2 324.425 0.683 10 0 DCAELP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000237434329 395912850 /nfs/dbraw/zinc/91/28/50/395912850.db2.gz NWIQQVHPGRHBFM-QLFBSQMISA-N 2 2 322.453 0.269 10 0 DCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246518640 395952025 /nfs/dbraw/zinc/95/20/25/395952025.db2.gz VPPVGCPHIJRNAG-CABCVRRESA-N 2 2 310.442 0.587 10 0 DCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000246518640 395952028 /nfs/dbraw/zinc/95/20/28/395952028.db2.gz VPPVGCPHIJRNAG-CABCVRRESA-N 2 2 310.442 0.587 10 0 DCAELP C[C@H]([C@H](C)NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)[NH+]1CCOCC1 ZINC000247403094 395973451 /nfs/dbraw/zinc/97/34/51/395973451.db2.gz PNVXWSKQYXXBBJ-QXSJWSMHSA-N 2 2 324.469 0.974 10 0 DCAELP C[C@H]([C@H](C)NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C)[NH+]1CCOCC1 ZINC000247403094 395973454 /nfs/dbraw/zinc/97/34/54/395973454.db2.gz PNVXWSKQYXXBBJ-QXSJWSMHSA-N 2 2 324.469 0.974 10 0 DCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247530506 395975853 /nfs/dbraw/zinc/97/58/53/395975853.db2.gz XLRFJYIGQFFMLV-KFWWJZLASA-N 2 2 310.442 0.585 10 0 DCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247530506 395975855 /nfs/dbraw/zinc/97/58/55/395975855.db2.gz XLRFJYIGQFFMLV-KFWWJZLASA-N 2 2 310.442 0.585 10 0 DCAELP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000262041095 396093085 /nfs/dbraw/zinc/09/30/85/396093085.db2.gz YNFMXFRSNCVQEO-TWMKSMIVSA-N 3 2 310.486 0.369 10 0 DCAELP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263284646 396211377 /nfs/dbraw/zinc/21/13/77/396211377.db2.gz UUERLBAUANPKJL-OLZOCXBDSA-N 2 2 319.396 0.943 10 0 DCAELP C[C@H]1CN(c2ccc(CNC(=O)C3C[NH2+]C3)c[nH+]2)C[C@H](C)O1 ZINC000263305091 396212477 /nfs/dbraw/zinc/21/24/77/396212477.db2.gz OEGMJTMWPIWUKW-RYUDHWBXSA-N 2 2 304.394 0.531 10 0 DCAELP C[C@H]1C[C@H]([NH+](C)CC(=O)NCC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000181946584 396244368 /nfs/dbraw/zinc/24/43/68/396244368.db2.gz VQPQXRXSRYEQSI-QWHCGFSZSA-N 2 2 313.442 0.859 10 0 DCAELP C[C@H]1C[C@H]([NH+](C)CC(=O)NCC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000181946584 396244372 /nfs/dbraw/zinc/24/43/72/396244372.db2.gz VQPQXRXSRYEQSI-QWHCGFSZSA-N 2 2 313.442 0.859 10 0 DCAELP C[C@H]1C[C@H]([N@H+](C)CC(=O)NCC(=O)OC(C)(C)C)CC[NH+]1C ZINC000181946584 396244375 /nfs/dbraw/zinc/24/43/75/396244375.db2.gz VQPQXRXSRYEQSI-QWHCGFSZSA-N 2 2 313.442 0.859 10 0 DCAELP C[C@H]1C[C@H]([N@@H+](C)CC(=O)NCC(=O)OC(C)(C)C)CC[NH+]1C ZINC000181946584 396244377 /nfs/dbraw/zinc/24/43/77/396244377.db2.gz VQPQXRXSRYEQSI-QWHCGFSZSA-N 2 2 313.442 0.859 10 0 DCAELP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000263313932 396213664 /nfs/dbraw/zinc/21/36/64/396213664.db2.gz ZDVCVFQKDYMLNK-SJLPKXTDSA-N 3 2 303.450 0.863 10 0 DCAELP O=C(C[NH+]1CCC(NC(=O)C2C[NH2+]C2)CC1)Nc1ccccc1 ZINC000263346777 396214859 /nfs/dbraw/zinc/21/48/59/396214859.db2.gz ZHQQILYDTFMVOI-UHFFFAOYSA-N 2 2 316.405 0.425 10 0 DCAELP CC(C)Cn1cc[nH+]c1CNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188778796 396386658 /nfs/dbraw/zinc/38/66/58/396386658.db2.gz XOGFZVDUNVYGPN-UHFFFAOYSA-N 2 2 302.382 0.838 10 0 DCAELP C[C@H](C(=O)N1CC[NH2+][C@H](c2ccncc2)C1)N1CC[NH+](C)CC1 ZINC000407965579 397339994 /nfs/dbraw/zinc/33/99/94/397339994.db2.gz LTIACEWOMFRTJB-ZBFHGGJFSA-N 2 2 317.437 0.190 10 0 DCAELP CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000408070600 286622376 /nfs/dbraw/zinc/62/23/76/286622376.db2.gz JYMXAZXESLESQL-KBPBESRZSA-N 2 2 303.472 0.922 10 0 DCAELP C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000121682558 158212991 /nfs/dbraw/zinc/21/29/91/158212991.db2.gz DBMNZLVLCSJKJY-HOTGVXAUSA-N 2 2 309.454 0.897 10 0 DCAELP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000172262628 158392654 /nfs/dbraw/zinc/39/26/54/158392654.db2.gz VZTLHFQTBINDQB-LSDHHAIUSA-N 2 2 324.469 0.975 10 0 DCAELP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000172262628 158392656 /nfs/dbraw/zinc/39/26/56/158392656.db2.gz VZTLHFQTBINDQB-LSDHHAIUSA-N 2 2 324.469 0.975 10 0 DCAELP C[C@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000172262628 158392657 /nfs/dbraw/zinc/39/26/57/158392657.db2.gz VZTLHFQTBINDQB-LSDHHAIUSA-N 2 2 324.469 0.975 10 0 DCAELP C[C@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000172262628 158392658 /nfs/dbraw/zinc/39/26/58/158392658.db2.gz VZTLHFQTBINDQB-LSDHHAIUSA-N 2 2 324.469 0.975 10 0 DCAELP CC[NH+](CC)CCS(=O)(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000408213225 160061429 /nfs/dbraw/zinc/06/14/29/160061429.db2.gz FKYPMIVVFPYHOA-ZIAGYGMSSA-N 2 2 319.471 0.063 10 0 DCAELP CC[NH+](CC)CCS(=O)(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000408213225 160061430 /nfs/dbraw/zinc/06/14/30/160061430.db2.gz FKYPMIVVFPYHOA-ZIAGYGMSSA-N 2 2 319.471 0.063 10 0 DCAELP COc1cc[nH+]cc1NC(=O)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000358404822 287209888 /nfs/dbraw/zinc/20/98/88/287209888.db2.gz VWWBQXVGNMBHMC-UHFFFAOYSA-N 2 2 318.377 0.797 10 0 DCAELP COc1cc[nH+]cc1NC(=O)C(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000358404822 287209890 /nfs/dbraw/zinc/20/98/90/287209890.db2.gz VWWBQXVGNMBHMC-UHFFFAOYSA-N 2 2 318.377 0.797 10 0 DCAELP C[C@@H](CNC(=O)N1CC[NH+](C2CC2)CC1)C[NH+]1CCN(C)CC1 ZINC000074655341 415432920 /nfs/dbraw/zinc/43/29/20/415432920.db2.gz TXEAWYJKWLUHIF-HNNXBMFYSA-N 2 2 323.485 0.360 10 0 DCAELP C[C@@H](CNC(=O)N1CC[NH+](C2CC2)CC1)CN1CC[NH+](C)CC1 ZINC000074655341 415432929 /nfs/dbraw/zinc/43/29/29/415432929.db2.gz TXEAWYJKWLUHIF-HNNXBMFYSA-N 2 2 323.485 0.360 10 0 DCAELP C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@H]2CCCn3ccnc32)C1 ZINC000332677080 415434294 /nfs/dbraw/zinc/43/42/94/415434294.db2.gz DTWIJDMPIDCUNB-OLZOCXBDSA-N 2 2 307.398 0.390 10 0 DCAELP C[N@H+]1CCO[C@@H](CNC(=O)NC[C@H]2CCCn3ccnc32)C1 ZINC000332677080 415434301 /nfs/dbraw/zinc/43/43/01/415434301.db2.gz DTWIJDMPIDCUNB-OLZOCXBDSA-N 2 2 307.398 0.390 10 0 DCAELP C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@H]2CCCn3cc[nH+]c32)C1 ZINC000332677080 415434305 /nfs/dbraw/zinc/43/43/05/415434305.db2.gz DTWIJDMPIDCUNB-OLZOCXBDSA-N 2 2 307.398 0.390 10 0 DCAELP C[N@H+]1CCO[C@@H](CNC(=O)NC[C@H]2CCCn3cc[nH+]c32)C1 ZINC000332677080 415434311 /nfs/dbraw/zinc/43/43/11/415434311.db2.gz DTWIJDMPIDCUNB-OLZOCXBDSA-N 2 2 307.398 0.390 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3nnc[nH]3)C2)CC1 ZINC000333299997 415604510 /nfs/dbraw/zinc/60/45/10/415604510.db2.gz MDKRXPMXLRPOHI-KGLIPLIRSA-N 2 2 320.441 0.537 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H](c3nnc[nH]3)C2)CC1 ZINC000333299997 415604512 /nfs/dbraw/zinc/60/45/12/415604512.db2.gz MDKRXPMXLRPOHI-KGLIPLIRSA-N 2 2 320.441 0.537 10 0 DCAELP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000105148739 415630611 /nfs/dbraw/zinc/63/06/11/415630611.db2.gz XRQNJHGMQGMUDP-ZIAGYGMSSA-N 2 2 300.447 0.593 10 0 DCAELP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000105148739 415630615 /nfs/dbraw/zinc/63/06/15/415630615.db2.gz XRQNJHGMQGMUDP-ZIAGYGMSSA-N 2 2 300.447 0.593 10 0 DCAELP COC(=O)CNC(=O)CC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000111212875 415690310 /nfs/dbraw/zinc/69/03/10/415690310.db2.gz CQLFARHFHGJKES-CYBMUJFWSA-N 2 2 320.393 0.495 10 0 DCAELP COC(=O)CNC(=O)CC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000111212875 415690314 /nfs/dbraw/zinc/69/03/14/415690314.db2.gz CQLFARHFHGJKES-CYBMUJFWSA-N 2 2 320.393 0.495 10 0 DCAELP CC(C)C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH+]1CCOCC1 ZINC000174508802 416080019 /nfs/dbraw/zinc/08/00/19/416080019.db2.gz RGJXWULMOAAXRI-HUUCEWRRSA-N 2 2 313.442 0.180 10 0 DCAELP CC(C)C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH+]1CCOCC1 ZINC000174508802 416080022 /nfs/dbraw/zinc/08/00/22/416080022.db2.gz RGJXWULMOAAXRI-HUUCEWRRSA-N 2 2 313.442 0.180 10 0 DCAELP O=C(NCCC[NH+]1CCOCC1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177338290 416143661 /nfs/dbraw/zinc/14/36/61/416143661.db2.gz NJZAWQGQMODJGW-OAHLLOKOSA-N 2 2 321.425 0.779 10 0 DCAELP CC1=CC[N@H+](CCNC(=O)NC[C@H](C)[NH+]2CCOCC2)CC1 ZINC000358212186 416212180 /nfs/dbraw/zinc/21/21/80/416212180.db2.gz MBTMACDBOZJDFJ-HNNXBMFYSA-N 2 2 310.442 0.658 10 0 DCAELP CC1=CC[N@@H+](CCNC(=O)NC[C@H](C)[NH+]2CCOCC2)CC1 ZINC000358212186 416212184 /nfs/dbraw/zinc/21/21/84/416212184.db2.gz MBTMACDBOZJDFJ-HNNXBMFYSA-N 2 2 310.442 0.658 10 0 DCAELP CNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516089 416326649 /nfs/dbraw/zinc/32/66/49/416326649.db2.gz ONBIBBXZEZJHSM-LBPRGKRZSA-N 2 2 305.382 0.579 10 0 DCAELP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173799063 276339026 /nfs/dbraw/zinc/33/90/26/276339026.db2.gz IOICCCTWFRLYNH-CABCVRRESA-N 2 2 312.458 0.833 10 0 DCAELP O=C(NC1CC1)c1noc([C@H]2CCC[N@@H+]2CCn2cc[nH+]c2)n1 ZINC000548025219 288103146 /nfs/dbraw/zinc/10/31/46/288103146.db2.gz ZFBJAKVTGYUTJX-GFCCVEGCSA-N 2 2 316.365 0.995 10 0 DCAELP O=C(NC1CC1)c1noc([C@H]2CCC[N@H+]2CCn2cc[nH+]c2)n1 ZINC000548025219 288103148 /nfs/dbraw/zinc/10/31/48/288103148.db2.gz ZFBJAKVTGYUTJX-GFCCVEGCSA-N 2 2 316.365 0.995 10 0 DCAELP C[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)CCN1c1nccn2cnnc12 ZINC000262123782 288207422 /nfs/dbraw/zinc/20/74/22/288207422.db2.gz XMNKZQCCXQAECF-CZUORRHYSA-N 2 2 315.425 0.634 10 0 DCAELP C[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)CCN1c1nccn2cnnc12 ZINC000262123782 288207425 /nfs/dbraw/zinc/20/74/25/288207425.db2.gz XMNKZQCCXQAECF-CZUORRHYSA-N 2 2 315.425 0.634 10 0 DCAELP C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)[C@H]2C1 ZINC000551987767 288255472 /nfs/dbraw/zinc/25/54/72/288255472.db2.gz CTCDEYFLEFBEDL-UBHSHLNASA-N 2 2 304.394 0.761 10 0 DCAELP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000247130124 297098122 /nfs/dbraw/zinc/09/81/22/297098122.db2.gz JITIJBKVYRIPNQ-CABCVRRESA-N 2 2 324.469 0.975 10 0 DCAELP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000247130124 297098124 /nfs/dbraw/zinc/09/81/24/297098124.db2.gz JITIJBKVYRIPNQ-CABCVRRESA-N 2 2 324.469 0.975 10 0 DCAELP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000333863908 297538353 /nfs/dbraw/zinc/53/83/53/297538353.db2.gz SQPCSPDENJVRBN-MELADBBJSA-N 2 2 320.441 0.559 10 0 DCAELP CCc1[nH+]ccn1CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000158331724 522579946 /nfs/dbraw/zinc/57/99/46/522579946.db2.gz JQVSLESTHIDIND-AWEZNQCLSA-N 2 2 308.426 0.919 10 0 DCAELP CCc1[nH+]ccn1CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000158331724 522579953 /nfs/dbraw/zinc/57/99/53/522579953.db2.gz JQVSLESTHIDIND-AWEZNQCLSA-N 2 2 308.426 0.919 10 0 DCAELP C[C@H](C(=O)NC[C@H]1C[NH+](C)CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000111587842 526072397 /nfs/dbraw/zinc/07/23/97/526072397.db2.gz GPTQWQMPFKCXTG-PBHICJAKSA-N 2 2 317.433 0.880 10 0 DCAELP C[C@H](C(=O)NC[C@H]1C[NH+](C)CCO1)[N@H+]1CCc2ccccc2C1 ZINC000111587842 526072404 /nfs/dbraw/zinc/07/24/04/526072404.db2.gz GPTQWQMPFKCXTG-PBHICJAKSA-N 2 2 317.433 0.880 10 0 DCAELP C[C@H](C(=O)NC[C@H]1C[N@H+](C)CCO1)[NH+]1CCc2ccccc2C1 ZINC000111587842 526072411 /nfs/dbraw/zinc/07/24/11/526072411.db2.gz GPTQWQMPFKCXTG-PBHICJAKSA-N 2 2 317.433 0.880 10 0 DCAELP C[C@H](C(=O)NC[C@H]1C[N@@H+](C)CCO1)[NH+]1CCc2ccccc2C1 ZINC000111587842 526072418 /nfs/dbraw/zinc/07/24/18/526072418.db2.gz GPTQWQMPFKCXTG-PBHICJAKSA-N 2 2 317.433 0.880 10 0 DCAELP [NH3+]C[C@@H]1C[N@H+](CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CCCO1 ZINC000333768646 546091795 /nfs/dbraw/zinc/09/17/95/546091795.db2.gz DYCIGANTVJXOBM-ILXRZTDVSA-N 2 2 311.426 0.206 10 0 DCAELP [NH3+]C[C@@H]1C[N@@H+](CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CCCO1 ZINC000333768646 546091799 /nfs/dbraw/zinc/09/17/99/546091799.db2.gz DYCIGANTVJXOBM-ILXRZTDVSA-N 2 2 311.426 0.206 10 0 DCAELP [NH3+]C1(CC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000398146315 546223913 /nfs/dbraw/zinc/22/39/13/546223913.db2.gz DDBXSLDNXBPXOR-HNNXBMFYSA-N 2 2 303.406 0.885 10 0 DCAELP [NH3+]C1(CC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000398146315 546223918 /nfs/dbraw/zinc/22/39/18/546223918.db2.gz DDBXSLDNXBPXOR-HNNXBMFYSA-N 2 2 303.406 0.885 10 0 DCAELP COCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000381962714 685239659 /nfs/dbraw/zinc/23/96/59/685239659.db2.gz HOWOOBDEWUBSFG-HOTGVXAUSA-N 2 2 321.421 0.367 10 0 DCAELP COCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000381962714 685239667 /nfs/dbraw/zinc/23/96/67/685239667.db2.gz HOWOOBDEWUBSFG-HOTGVXAUSA-N 2 2 321.421 0.367 10 0 DCAELP CC[C@@H](CNC(=O)[C@H]1COCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000236973568 202103743 /nfs/dbraw/zinc/10/37/43/202103743.db2.gz SAVBPUJLLZCNCZ-DLBZAZTESA-N 2 2 317.433 0.928 10 0 DCAELP CC[C@@H](CNC(=O)[C@H]1COCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000236973568 202103746 /nfs/dbraw/zinc/10/37/46/202103746.db2.gz SAVBPUJLLZCNCZ-DLBZAZTESA-N 2 2 317.433 0.928 10 0 DCAELP CCC[NH+]1CCC(CNC(=O)NCC[NH+]2CCOCC2)CC1 ZINC000154459520 291213840 /nfs/dbraw/zinc/21/38/40/291213840.db2.gz DEKQNRVCDMJKNI-UHFFFAOYSA-N 2 2 312.458 0.740 10 0 DCAELP CCOC(=O)C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000119614038 195002452 /nfs/dbraw/zinc/00/24/52/195002452.db2.gz WSJLOQNUKSCCOT-UHFFFAOYSA-N 2 2 311.426 0.426 10 0 DCAELP CC[N@@H+]1CCC[C@H](NC(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000246055996 285266838 /nfs/dbraw/zinc/26/68/38/285266838.db2.gz AIKLGXVWVISWLU-PMPSAXMXSA-N 2 2 324.469 0.833 10 0 DCAELP CC[N@H+]1CCC[C@H](NC(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000246055996 285266846 /nfs/dbraw/zinc/26/68/46/285266846.db2.gz AIKLGXVWVISWLU-PMPSAXMXSA-N 2 2 324.469 0.833 10 0 DCAELP COc1cc[nH+]cc1NC(=O)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000195052047 395814581 /nfs/dbraw/zinc/81/45/81/395814581.db2.gz LJSQVNFXKCUQHF-UHFFFAOYSA-N 2 2 318.377 0.725 10 0 DCAELP COc1cc[nH+]cc1NC(=O)C(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000195052047 395814584 /nfs/dbraw/zinc/81/45/84/395814584.db2.gz LJSQVNFXKCUQHF-UHFFFAOYSA-N 2 2 318.377 0.725 10 0 DCAELP CC(C)n1nnnc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000195431645 395827079 /nfs/dbraw/zinc/82/70/79/395827079.db2.gz VRPBAEYZAHNJPG-UHFFFAOYSA-N 2 2 308.430 0.798 10 0 DCAELP CC[C@@H](C(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1)[NH+](C)C ZINC000152002049 395998282 /nfs/dbraw/zinc/99/82/82/395998282.db2.gz BPFZYTVWIZWERT-HOTGVXAUSA-N 2 2 310.486 0.955 10 0 DCAELP CN1CCN(CC[N@@H+]2Cc3ccc(NC(N)=[NH2+])cc3C2)C1=O ZINC000145319114 395963985 /nfs/dbraw/zinc/96/39/85/395963985.db2.gz SADVJMYVYSUWBV-UHFFFAOYSA-N 2 2 302.382 0.675 10 0 DCAELP CN1CCN(CC[N@H+]2Cc3ccc(NC(N)=[NH2+])cc3C2)C1=O ZINC000145319114 395963987 /nfs/dbraw/zinc/96/39/87/395963987.db2.gz SADVJMYVYSUWBV-UHFFFAOYSA-N 2 2 302.382 0.675 10 0 DCAELP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000155542470 396054004 /nfs/dbraw/zinc/05/40/04/396054004.db2.gz JDOLHOLHNZDUCW-HUUCEWRRSA-N 2 2 312.458 0.737 10 0 DCAELP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000155542470 396054006 /nfs/dbraw/zinc/05/40/06/396054006.db2.gz JDOLHOLHNZDUCW-HUUCEWRRSA-N 2 2 312.458 0.737 10 0 DCAELP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000155542470 396054009 /nfs/dbraw/zinc/05/40/09/396054009.db2.gz JDOLHOLHNZDUCW-HUUCEWRRSA-N 2 2 312.458 0.737 10 0 DCAELP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000155542470 396054012 /nfs/dbraw/zinc/05/40/12/396054012.db2.gz JDOLHOLHNZDUCW-HUUCEWRRSA-N 2 2 312.458 0.737 10 0 DCAELP CS(=O)(=O)CC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000261978390 396086582 /nfs/dbraw/zinc/08/65/82/396086582.db2.gz RJKSVRRVFLJDFB-MCIONIFRSA-N 2 2 316.467 0.558 10 0 DCAELP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000262041093 396093180 /nfs/dbraw/zinc/09/31/80/396093180.db2.gz YNFMXFRSNCVQEO-QBPKDAKJSA-N 3 2 310.486 0.369 10 0 DCAELP C[C@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)CCN1c1nccn2cnnc12 ZINC000262123779 396101444 /nfs/dbraw/zinc/10/14/44/396101444.db2.gz XMNKZQCCXQAECF-BBRMVZONSA-N 2 2 315.425 0.634 10 0 DCAELP C[C@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)CCN1c1nccn2cnnc12 ZINC000262123779 396101447 /nfs/dbraw/zinc/10/14/47/396101447.db2.gz XMNKZQCCXQAECF-BBRMVZONSA-N 2 2 315.425 0.634 10 0 DCAELP O=C(NCc1[nH+]ccn1CCc1ccccc1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262342414 396127321 /nfs/dbraw/zinc/12/73/21/396127321.db2.gz ALOAPKQYIDRJEJ-GJZGRUSLSA-N 2 2 314.389 0.465 10 0 DCAELP COC[C@@H]([NH3+])C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000262373142 396131607 /nfs/dbraw/zinc/13/16/07/396131607.db2.gz WWLULOHDRYHRRG-CQSZACIVSA-N 3 2 312.458 0.027 10 0 DCAELP COC[C@@H]([NH3+])C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000262373142 396131611 /nfs/dbraw/zinc/13/16/11/396131611.db2.gz WWLULOHDRYHRRG-CQSZACIVSA-N 2 2 312.458 0.027 10 0 DCAELP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@H+](C)[C@@H]1CCNC1=O ZINC000279594172 396185432 /nfs/dbraw/zinc/18/54/32/396185432.db2.gz DTOBNQVYIWGFNB-RWMBFGLXSA-N 2 2 309.389 0.153 10 0 DCAELP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)[C@@H]1CCNC1=O ZINC000279594172 396185437 /nfs/dbraw/zinc/18/54/37/396185437.db2.gz DTOBNQVYIWGFNB-RWMBFGLXSA-N 2 2 309.389 0.153 10 0 DCAELP CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](C)[NH+]2CCOCC2)C1 ZINC000177851320 396186000 /nfs/dbraw/zinc/18/60/00/396186000.db2.gz WYSKORCDPZCOQR-HUUCEWRRSA-N 2 2 312.458 0.690 10 0 DCAELP CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](C)[NH+]2CCOCC2)C1 ZINC000177851320 396186004 /nfs/dbraw/zinc/18/60/04/396186004.db2.gz WYSKORCDPZCOQR-HUUCEWRRSA-N 2 2 312.458 0.690 10 0 DCAELP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263072382 396200739 /nfs/dbraw/zinc/20/07/39/396200739.db2.gz WQVRHLFHMOPDBH-MNOVXSKESA-N 2 2 319.352 0.079 10 0 DCAELP O=C1C[C@H]([NH2+][C@H]2CCCSC2)CN1CC[NH+]1CCOCC1 ZINC000183610022 396271670 /nfs/dbraw/zinc/27/16/70/396271670.db2.gz WCXSUNSFYDEEQJ-KBPBESRZSA-N 2 2 313.467 0.405 10 0 DCAELP c1nc(N2CC[N@H+]3CCOC[C@@H]3C2)cc(N2CCSCC2)[nH+]1 ZINC000375943531 396848874 /nfs/dbraw/zinc/84/88/74/396848874.db2.gz VQYHIXZDQBGGRK-ZDUSSCGKSA-N 2 2 321.450 0.551 10 0 DCAELP c1nc(N2CC[N@@H+]3CCOC[C@@H]3C2)cc(N2CCSCC2)[nH+]1 ZINC000375943531 396848878 /nfs/dbraw/zinc/84/88/78/396848878.db2.gz VQYHIXZDQBGGRK-ZDUSSCGKSA-N 2 2 321.450 0.551 10 0 DCAELP C[C@@H](CNC[C@H](O)C[NH+]1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000390706983 397301583 /nfs/dbraw/zinc/30/15/83/397301583.db2.gz RMJBMFDAFWPQTJ-WMZOPIPTSA-N 2 2 321.465 0.790 10 0 DCAELP C[C@@H](CNC[C@H](O)C[NH+]1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000390706983 397301589 /nfs/dbraw/zinc/30/15/89/397301589.db2.gz RMJBMFDAFWPQTJ-WMZOPIPTSA-N 2 2 321.465 0.790 10 0 DCAELP Cc1ccc([C@@H](CNC(=O)C2C[NH2+]C2)[NH+]2CCOCC2)cc1 ZINC000263331010 292198206 /nfs/dbraw/zinc/19/82/06/292198206.db2.gz UWZNQMNXVIPLGQ-MRXNPFEDSA-N 2 2 303.406 0.704 10 0 DCAELP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](Oc3cccnc3)C2)CC1 ZINC000121217030 158208830 /nfs/dbraw/zinc/20/88/30/158208830.db2.gz YBXDUWZZUMIICC-HNNXBMFYSA-N 2 2 304.394 0.309 10 0 DCAELP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](Oc3cccnc3)C2)CC1 ZINC000121217030 158208832 /nfs/dbraw/zinc/20/88/32/158208832.db2.gz YBXDUWZZUMIICC-HNNXBMFYSA-N 2 2 304.394 0.309 10 0 DCAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)NC(=O)NCC(F)(F)F)CC[N@@H+]1C ZINC000123883688 158235297 /nfs/dbraw/zinc/23/52/97/158235297.db2.gz MJTLVKXIWGKYFO-UWVGGRQHSA-N 2 2 324.347 0.789 10 0 DCAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)NC(=O)NCC(F)(F)F)CC[N@H+]1C ZINC000123883688 158235298 /nfs/dbraw/zinc/23/52/98/158235298.db2.gz MJTLVKXIWGKYFO-UWVGGRQHSA-N 2 2 324.347 0.789 10 0 DCAELP C[C@H]1C[C@@H]([N@H+](C)CC(=O)NC(=O)NCC(F)(F)F)CC[NH+]1C ZINC000123883688 158235299 /nfs/dbraw/zinc/23/52/99/158235299.db2.gz MJTLVKXIWGKYFO-UWVGGRQHSA-N 2 2 324.347 0.789 10 0 DCAELP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)NC(=O)NCC(F)(F)F)CC[NH+]1C ZINC000123883688 158235300 /nfs/dbraw/zinc/23/53/00/158235300.db2.gz MJTLVKXIWGKYFO-UWVGGRQHSA-N 2 2 324.347 0.789 10 0 DCAELP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000079252227 286923844 /nfs/dbraw/zinc/92/38/44/286923844.db2.gz IPZOGTYZRXDITI-LSDHHAIUSA-N 2 2 314.474 0.983 10 0 DCAELP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[NH2+]Cc1csnn1 ZINC000275862066 415381174 /nfs/dbraw/zinc/38/11/74/415381174.db2.gz XNYPHYMNTIDIKW-JQWIXIFHSA-N 2 2 310.402 0.974 10 0 DCAELP COC(=O)CNC(=O)CC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000111212877 415691223 /nfs/dbraw/zinc/69/12/23/415691223.db2.gz CQLFARHFHGJKES-ZDUSSCGKSA-N 2 2 320.393 0.495 10 0 DCAELP COC(=O)CNC(=O)CC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000111212877 415691230 /nfs/dbraw/zinc/69/12/30/415691230.db2.gz CQLFARHFHGJKES-ZDUSSCGKSA-N 2 2 320.393 0.495 10 0 DCAELP Cn1ncc2c1nc(N1CCC([C@@H]3CCC[NH2+]3)CC1)[nH+]c2N ZINC000333584205 415691285 /nfs/dbraw/zinc/69/12/85/415691285.db2.gz UMMOTPDZOCROFH-LBPRGKRZSA-N 2 2 301.398 0.914 10 0 DCAELP Cc1[nH+]ccn1CC(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000333959614 415770924 /nfs/dbraw/zinc/77/09/24/415770924.db2.gz KFRKKIUKQRDGFM-OAHLLOKOSA-N 2 2 306.410 0.761 10 0 DCAELP Cc1[nH+]ccn1CC(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000333959614 415770929 /nfs/dbraw/zinc/77/09/29/415770929.db2.gz KFRKKIUKQRDGFM-OAHLLOKOSA-N 2 2 306.410 0.761 10 0 DCAELP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000119904820 415752995 /nfs/dbraw/zinc/75/29/95/415752995.db2.gz OLAUFPCQWSDGHL-AWEZNQCLSA-N 2 2 323.441 0.944 10 0 DCAELP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000173884854 416068186 /nfs/dbraw/zinc/06/81/86/416068186.db2.gz MSTBYJRBLKSZJR-HOTGVXAUSA-N 2 2 324.469 0.834 10 0 DCAELP CCC[N@H+]1CC[C@@H](CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000173884854 416068190 /nfs/dbraw/zinc/06/81/90/416068190.db2.gz MSTBYJRBLKSZJR-HOTGVXAUSA-N 2 2 324.469 0.834 10 0 DCAELP Cc1[nH+]ccn1CCCCNC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000175001250 416094335 /nfs/dbraw/zinc/09/43/35/416094335.db2.gz TVXYNIXOABIMHH-AWEZNQCLSA-N 2 2 323.441 0.992 10 0 DCAELP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCNC(=O)[C@H]2C)CC1 ZINC000189319290 416265896 /nfs/dbraw/zinc/26/58/96/416265896.db2.gz JVNXFVBZKPNVEL-CYBMUJFWSA-N 2 2 310.442 0.186 10 0 DCAELP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCNC(=O)[C@H]2C)CC1 ZINC000189319290 416265901 /nfs/dbraw/zinc/26/59/01/416265901.db2.gz JVNXFVBZKPNVEL-CYBMUJFWSA-N 2 2 310.442 0.186 10 0 DCAELP c1cncc(C[NH2+]CCC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000423186336 416475627 /nfs/dbraw/zinc/47/56/27/416475627.db2.gz LAZJFGHZCARHPM-IAGOWNOFSA-N 3 2 304.438 0.918 10 0 DCAELP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@@H]1C ZINC000365978209 416612328 /nfs/dbraw/zinc/61/23/28/416612328.db2.gz LGVOJWHTCYPLSB-RWMBFGLXSA-N 2 2 306.410 0.743 10 0 DCAELP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@@H]1C ZINC000365978209 416612333 /nfs/dbraw/zinc/61/23/33/416612333.db2.gz LGVOJWHTCYPLSB-RWMBFGLXSA-N 2 2 306.410 0.743 10 0 DCAELP CC(=O)[C@](C)(O)C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000450775065 417265592 /nfs/dbraw/zinc/26/55/92/417265592.db2.gz DSKCNNIPLZKZFX-MSOLQXFVSA-N 2 2 320.433 0.895 10 0 DCAELP CC(=O)[C@](C)(O)C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000450775065 417265603 /nfs/dbraw/zinc/26/56/03/417265603.db2.gz DSKCNNIPLZKZFX-MSOLQXFVSA-N 2 2 320.433 0.895 10 0 DCAELP CC(=O)[C@](C)(O)C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000450775065 417265611 /nfs/dbraw/zinc/26/56/11/417265611.db2.gz DSKCNNIPLZKZFX-MSOLQXFVSA-N 2 2 320.433 0.895 10 0 DCAELP CC(=O)[C@](C)(O)C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000450775065 417265616 /nfs/dbraw/zinc/26/56/16/417265616.db2.gz DSKCNNIPLZKZFX-MSOLQXFVSA-N 2 2 320.433 0.895 10 0 DCAELP CC(=O)[C@](C)(O)C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000450775066 417266600 /nfs/dbraw/zinc/26/66/00/417266600.db2.gz DSKCNNIPLZKZFX-QZTJIDSGSA-N 2 2 320.433 0.895 10 0 DCAELP CC(=O)[C@](C)(O)C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000450775066 417266609 /nfs/dbraw/zinc/26/66/09/417266609.db2.gz DSKCNNIPLZKZFX-QZTJIDSGSA-N 2 2 320.433 0.895 10 0 DCAELP CC(=O)[C@](C)(O)C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000450775066 417266613 /nfs/dbraw/zinc/26/66/13/417266613.db2.gz DSKCNNIPLZKZFX-QZTJIDSGSA-N 2 2 320.433 0.895 10 0 DCAELP CC(=O)[C@](C)(O)C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000450775066 417266620 /nfs/dbraw/zinc/26/66/20/417266620.db2.gz DSKCNNIPLZKZFX-QZTJIDSGSA-N 2 2 320.433 0.895 10 0 DCAELP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000328723008 277577493 /nfs/dbraw/zinc/57/74/93/277577493.db2.gz SFCWNHPBZIIHCF-GOEBONIOSA-N 2 2 318.421 0.523 10 0 DCAELP CC1=CC[N@H+](CCNC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000546566503 288018775 /nfs/dbraw/zinc/01/87/75/288018775.db2.gz MMNVMTPTLYNUKP-MRXNPFEDSA-N 2 2 323.485 0.574 10 0 DCAELP CC1=CC[N@@H+](CCNC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000546566503 288018777 /nfs/dbraw/zinc/01/87/77/288018777.db2.gz MMNVMTPTLYNUKP-MRXNPFEDSA-N 2 2 323.485 0.574 10 0 DCAELP Cn1cc[nH+]c1[C@H]1CN(C(=O)N[C@H]2CCCC[NH2+]C2)CCN1C ZINC000333882246 303007240 /nfs/dbraw/zinc/00/72/40/303007240.db2.gz WKTBTPHRKDKTEG-UONOGXRCSA-N 2 2 320.441 0.560 10 0 DCAELP CO[C@H]1CC[C@@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1 ZINC000364999452 524001850 /nfs/dbraw/zinc/00/18/50/524001850.db2.gz FLURDTRMRWZILX-SJORKVTESA-N 2 2 311.470 0.940 10 0 DCAELP CO[C@H]1CC[C@@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC000364999452 524001854 /nfs/dbraw/zinc/00/18/54/524001854.db2.gz FLURDTRMRWZILX-SJORKVTESA-N 2 2 311.470 0.940 10 0 DCAELP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC000365978206 525762039 /nfs/dbraw/zinc/76/20/39/525762039.db2.gz LGVOJWHTCYPLSB-AGIUHOORSA-N 2 2 306.410 0.743 10 0 DCAELP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC000365978206 525762050 /nfs/dbraw/zinc/76/20/50/525762050.db2.gz LGVOJWHTCYPLSB-AGIUHOORSA-N 2 2 306.410 0.743 10 0 DCAELP CC[N@H+](CC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1)C1CC1 ZINC000276512213 527897882 /nfs/dbraw/zinc/89/78/82/527897882.db2.gz CLVONTWNWDCYLS-CQSZACIVSA-N 2 2 305.426 0.720 10 0 DCAELP CC[N@@H+](CC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1)C1CC1 ZINC000276512213 527897886 /nfs/dbraw/zinc/89/78/86/527897886.db2.gz CLVONTWNWDCYLS-CQSZACIVSA-N 2 2 305.426 0.720 10 0 DCAELP O=C(NC[C@@H]1CCc2[nH+]ccn2C1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897466860 662763087 /nfs/dbraw/zinc/76/30/87/662763087.db2.gz DFWXQLAWGLSRTQ-GXTWGEPZSA-N 2 2 304.394 0.282 10 0 DCAELP [NH3+]C1CC(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000703494895 667092848 /nfs/dbraw/zinc/09/28/48/667092848.db2.gz KUAINEGOPBPLIJ-GPANFISMSA-N 2 2 303.406 0.741 10 0 DCAELP [NH3+]C1CC(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000703494895 667092853 /nfs/dbraw/zinc/09/28/53/667092853.db2.gz KUAINEGOPBPLIJ-GPANFISMSA-N 2 2 303.406 0.741 10 0 DCAELP Cc1[nH+]cn(CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1C ZINC000106440610 194214140 /nfs/dbraw/zinc/21/41/40/194214140.db2.gz JYKSIYLBKXESJL-OAHLLOKOSA-N 2 2 308.426 0.973 10 0 DCAELP Cc1[nH+]cn(CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c1C ZINC000106440610 194214143 /nfs/dbraw/zinc/21/41/43/194214143.db2.gz JYKSIYLBKXESJL-OAHLLOKOSA-N 2 2 308.426 0.973 10 0 DCAELP C[C@@H](C(=O)NCC[NH+](C)C)[NH+]1CCN(c2ccccc2)CC1 ZINC000096281085 395752462 /nfs/dbraw/zinc/75/24/62/395752462.db2.gz WNSPAAHTRZEPQO-HNNXBMFYSA-N 2 2 304.438 0.875 10 0 DCAELP O=C(NCCn1cc[nH+]c1)NCc1cccnc1-n1cc[nH+]c1 ZINC000043311233 395752772 /nfs/dbraw/zinc/75/27/72/395752772.db2.gz LOUOOQNKZKBSRP-UHFFFAOYSA-N 2 2 311.349 0.963 10 0 DCAELP [NH3+]CCc1nc2ccccc2c(NCC[NH+]2CCOCC2)n1 ZINC000055307940 395916850 /nfs/dbraw/zinc/91/68/50/395916850.db2.gz SCHFXDPEKSRZOQ-UHFFFAOYSA-N 2 2 301.394 0.875 10 0 DCAELP C[C@H](CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)C[NH+]1CCOCC1 ZINC000247323342 395971788 /nfs/dbraw/zinc/97/17/88/395971788.db2.gz IKDBXZOIUCSBEE-CVEARBPZSA-N 2 2 324.469 0.834 10 0 DCAELP C[C@H](CNC(=O)N1CC[N@H+]2CCCC[C@H]2C1)C[NH+]1CCOCC1 ZINC000247323342 395971792 /nfs/dbraw/zinc/97/17/92/395971792.db2.gz IKDBXZOIUCSBEE-CVEARBPZSA-N 2 2 324.469 0.834 10 0 DCAELP Cc1cc(C(F)(F)F)nc(CCNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)n1 ZINC000067741886 396032611 /nfs/dbraw/zinc/03/26/11/396032611.db2.gz UFRGOLGZOKLTPG-BDAKNGLRSA-N 2 2 317.315 0.152 10 0 DCAELP C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000159148577 396065717 /nfs/dbraw/zinc/06/57/17/396065717.db2.gz ZXCFBNVCNPIYOB-JKSUJKDBSA-N 2 2 324.469 0.977 10 0 DCAELP C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000159148577 396065719 /nfs/dbraw/zinc/06/57/19/396065719.db2.gz ZXCFBNVCNPIYOB-JKSUJKDBSA-N 2 2 324.469 0.977 10 0 DCAELP C[NH+](C)CCOc1ccccc1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000171287408 396112577 /nfs/dbraw/zinc/11/25/77/396112577.db2.gz ATJFUMHFKXGZIR-AWEZNQCLSA-N 2 2 321.421 0.687 10 0 DCAELP C[NH+](C)CCOc1ccccc1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000171287408 396112579 /nfs/dbraw/zinc/11/25/79/396112579.db2.gz ATJFUMHFKXGZIR-AWEZNQCLSA-N 2 2 321.421 0.687 10 0 DCAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCC(=O)NC(=O)NC)C1 ZINC000171625421 396120314 /nfs/dbraw/zinc/12/03/14/396120314.db2.gz RUMBNMYCKPUIHV-LBPRGKRZSA-N 2 2 307.398 0.928 10 0 DCAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCC(=O)NC(=O)NC)C1 ZINC000171625421 396120318 /nfs/dbraw/zinc/12/03/18/396120318.db2.gz RUMBNMYCKPUIHV-LBPRGKRZSA-N 2 2 307.398 0.928 10 0 DCAELP CCOc1ccnc(N2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)n1 ZINC000261960292 396084420 /nfs/dbraw/zinc/08/44/20/396084420.db2.gz HFPJGKNCKHOYHM-MRXNPFEDSA-N 2 2 305.426 0.997 10 0 DCAELP COCCOc1cc2c(cc1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O)OCO2 ZINC000263263113 396210549 /nfs/dbraw/zinc/21/05/49/396210549.db2.gz RFQULHXUWLORKB-OLZOCXBDSA-N 2 2 324.377 0.110 10 0 DCAELP C[NH+]1CCN(c2cc(C(=O)NCC(F)(F)C[NH3+])ccn2)CC1 ZINC000190216102 396403450 /nfs/dbraw/zinc/40/34/50/396403450.db2.gz WSCRLOAFCPQGLR-UHFFFAOYSA-N 2 2 313.352 0.157 10 0 DCAELP CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)CC1 ZINC000581370209 396548864 /nfs/dbraw/zinc/54/88/64/396548864.db2.gz MWSGYLYVYDVGAX-RHSMWYFYSA-N 2 2 322.453 0.141 10 0 DCAELP CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)CC1 ZINC000581370209 396548868 /nfs/dbraw/zinc/54/88/68/396548868.db2.gz MWSGYLYVYDVGAX-RHSMWYFYSA-N 2 2 322.453 0.141 10 0 DCAELP Cc1ccncc1C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000376569591 396947509 /nfs/dbraw/zinc/94/75/09/396947509.db2.gz HCPCCAZITVCYGN-KRWDZBQOSA-N 2 2 304.438 0.886 10 0 DCAELP C=Cn1cc(C[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)cn1 ZINC000578290356 397415106 /nfs/dbraw/zinc/41/51/06/397415106.db2.gz YTPMDBSJPPCEQS-CQSZACIVSA-N 2 2 314.393 0.998 10 0 DCAELP C[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000603594323 397617519 /nfs/dbraw/zinc/61/75/19/397617519.db2.gz PLQDHEVGTNDWEX-ZDUSSCGKSA-N 2 2 306.414 0.331 10 0 DCAELP C[N@H+]1CCC[C@H]1CNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000603594323 397617521 /nfs/dbraw/zinc/61/75/21/397617521.db2.gz PLQDHEVGTNDWEX-ZDUSSCGKSA-N 2 2 306.414 0.331 10 0 DCAELP CCCC(=O)NCC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050797333 158012224 /nfs/dbraw/zinc/01/22/24/158012224.db2.gz LVNKPNXRFDUBKC-UHFFFAOYSA-N 2 2 324.469 0.578 10 0 DCAELP C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH+]1CCOCC1 ZINC000121682223 158213104 /nfs/dbraw/zinc/21/31/04/158213104.db2.gz DBMNZLVLCSJKJY-JKSUJKDBSA-N 2 2 309.454 0.897 10 0 DCAELP C[C@H]1C[N@@H+](C2CC[NH+](CCN3C(=O)CCC3=O)CC2)CCO1 ZINC000124112368 158238826 /nfs/dbraw/zinc/23/88/26/158238826.db2.gz UUOXIBWSNWWFMK-ZDUSSCGKSA-N 2 2 309.410 0.321 10 0 DCAELP C[C@H]1C[N@H+](C2CC[NH+](CCN3C(=O)CCC3=O)CC2)CCO1 ZINC000124112368 158238827 /nfs/dbraw/zinc/23/88/27/158238827.db2.gz UUOXIBWSNWWFMK-ZDUSSCGKSA-N 2 2 309.410 0.321 10 0 DCAELP C[C@H]1CN(C(=O)[C@H]2CCNC(=O)C2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000329083960 159059949 /nfs/dbraw/zinc/05/99/49/159059949.db2.gz FMDNWSJENLCWCY-KBPBESRZSA-N 2 2 322.453 0.980 10 0 DCAELP C[C@H]1CN(C(=O)[C@H]2CCNC(=O)C2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000329083960 159059950 /nfs/dbraw/zinc/05/99/50/159059950.db2.gz FMDNWSJENLCWCY-KBPBESRZSA-N 2 2 322.453 0.980 10 0 DCAELP CO[C@@H]1COC[C@H]1n1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)nn1 ZINC000329791391 159120452 /nfs/dbraw/zinc/12/04/52/159120452.db2.gz UMQOMXOAEUZXQZ-LCGIIJARSA-N 2 2 321.425 0.581 10 0 DCAELP CO[C@@H]1COC[C@H]1n1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)nn1 ZINC000329791391 159120455 /nfs/dbraw/zinc/12/04/55/159120455.db2.gz UMQOMXOAEUZXQZ-LCGIIJARSA-N 2 2 321.425 0.581 10 0 DCAELP C[NH+](C)C1CC[NH+](CCNc2cncc(OCCO)n2)CC1 ZINC000133127397 287009111 /nfs/dbraw/zinc/00/91/11/287009111.db2.gz FXNDEKRKYJZFLI-UHFFFAOYSA-N 2 2 309.414 0.286 10 0 DCAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](C)C(=O)N(C)C)[C@H](C)C1 ZINC000245435295 287069018 /nfs/dbraw/zinc/06/90/18/287069018.db2.gz QIDAKDUIADMQQQ-MCIONIFRSA-N 2 2 312.458 0.241 10 0 DCAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](C)C(=O)N(C)C)[C@H](C)C1 ZINC000245435295 287069021 /nfs/dbraw/zinc/06/90/21/287069021.db2.gz QIDAKDUIADMQQQ-MCIONIFRSA-N 2 2 312.458 0.241 10 0 DCAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@H](C)C(=O)N(C)C)[C@H](C)C1 ZINC000245435295 287069024 /nfs/dbraw/zinc/06/90/24/287069024.db2.gz QIDAKDUIADMQQQ-MCIONIFRSA-N 2 2 312.458 0.241 10 0 DCAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@H](C)C(=O)N(C)C)[C@H](C)C1 ZINC000245435295 287069026 /nfs/dbraw/zinc/06/90/26/287069026.db2.gz QIDAKDUIADMQQQ-MCIONIFRSA-N 2 2 312.458 0.241 10 0 DCAELP c1ccc(NCCNc2cc[nH+]c(N3CCOCC3)n2)[nH+]c1 ZINC000352406336 415165019 /nfs/dbraw/zinc/16/50/19/415165019.db2.gz DTOBRWHKLSQPFP-UHFFFAOYSA-N 2 2 300.366 1.232 10 0 DCAELP CN(CC[NH+]1CCOCC1)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106915791 415657676 /nfs/dbraw/zinc/65/76/76/415657676.db2.gz GPWBQMTYBQSKTR-KRWDZBQOSA-N 2 2 319.449 0.950 10 0 DCAELP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000333475155 415661695 /nfs/dbraw/zinc/66/16/95/415661695.db2.gz BJMOSJMLPIGPJU-GDBMZVCRSA-N 2 2 317.437 0.907 10 0 DCAELP C[C@@H](CNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000115796682 415726698 /nfs/dbraw/zinc/72/66/98/415726698.db2.gz CCEXGGBXRNPCPB-GJZGRUSLSA-N 2 2 312.458 0.690 10 0 DCAELP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173843233 416066352 /nfs/dbraw/zinc/06/63/52/416066352.db2.gz VQPWEHPLQBLBGS-HOCLYGCPSA-N 2 2 322.453 0.587 10 0 DCAELP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173843233 416066356 /nfs/dbraw/zinc/06/63/56/416066356.db2.gz VQPWEHPLQBLBGS-HOCLYGCPSA-N 2 2 322.453 0.587 10 0 DCAELP C[NH+]1CCC(CCNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CC1 ZINC000173908431 416067833 /nfs/dbraw/zinc/06/78/33/416067833.db2.gz VFRNADVKBNCUQW-INIZCTEOSA-N 2 2 324.469 0.834 10 0 DCAELP CC[NH+](CC)CC(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000174743333 416085906 /nfs/dbraw/zinc/08/59/06/416085906.db2.gz HCOVHSCVUBJTQO-ZDUSSCGKSA-N 2 2 320.441 0.945 10 0 DCAELP CC[NH+](CC)CC(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000174743333 416085908 /nfs/dbraw/zinc/08/59/08/416085908.db2.gz HCOVHSCVUBJTQO-ZDUSSCGKSA-N 2 2 320.441 0.945 10 0 DCAELP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000178886679 416175471 /nfs/dbraw/zinc/17/54/71/416175471.db2.gz QDHBSAANZQXHHN-CABCVRRESA-N 2 2 319.453 0.809 10 0 DCAELP Cc1cnn([C@H]2CCC[N@@H+](CC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000180482268 416198354 /nfs/dbraw/zinc/19/83/54/416198354.db2.gz RTHMMEDFONLPAQ-HNNXBMFYSA-N 2 2 305.426 0.602 10 0 DCAELP Cc1cnn([C@H]2CCC[N@H+](CC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000180482268 416198359 /nfs/dbraw/zinc/19/83/59/416198359.db2.gz RTHMMEDFONLPAQ-HNNXBMFYSA-N 2 2 305.426 0.602 10 0 DCAELP COCC[N@@H+]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC000183675588 416248356 /nfs/dbraw/zinc/24/83/56/416248356.db2.gz BLVDXPOMUFXVKB-CYBMUJFWSA-N 2 2 306.410 0.940 10 0 DCAELP COCC[N@H+]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC000183675588 416248359 /nfs/dbraw/zinc/24/83/59/416248359.db2.gz BLVDXPOMUFXVKB-CYBMUJFWSA-N 2 2 306.410 0.940 10 0 DCAELP CC[C@H]1CN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC[N@@H+]1CCOC ZINC000263118264 416337505 /nfs/dbraw/zinc/33/75/05/416337505.db2.gz ATGVAYPYDZNUML-NWDGAFQWSA-N 2 2 305.369 0.553 10 0 DCAELP CC[C@H]1CN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC[N@H+]1CCOC ZINC000263118264 416337506 /nfs/dbraw/zinc/33/75/06/416337506.db2.gz ATGVAYPYDZNUML-NWDGAFQWSA-N 2 2 305.369 0.553 10 0 DCAELP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000434480784 416480362 /nfs/dbraw/zinc/48/03/62/416480362.db2.gz OBABUVSFZFSXKW-CABCVRRESA-N 2 2 313.442 0.012 10 0 DCAELP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000434480784 416480367 /nfs/dbraw/zinc/48/03/67/416480367.db2.gz OBABUVSFZFSXKW-CABCVRRESA-N 2 2 313.442 0.012 10 0 DCAELP O=C(NCCNc1cc[nH+]cc1)NCC1([NH+]2CCOCC2)CC1 ZINC000434461886 416480851 /nfs/dbraw/zinc/48/08/51/416480851.db2.gz XXBNYMMZIXUCEL-UHFFFAOYSA-N 2 2 319.409 0.079 10 0 DCAELP CC(=O)N1CC[NH+](CCNC(=O)c2ccccc2CC[NH3+])CC1 ZINC000514944741 416685451 /nfs/dbraw/zinc/68/54/51/416685451.db2.gz CEMANWKTLVZHFH-UHFFFAOYSA-N 2 2 318.421 0.082 10 0 DCAELP CCCCNc1cc(N2CC[N@@H+]3CCOC[C@H]3C2)nc(N)[nH+]1 ZINC000376431708 417029735 /nfs/dbraw/zinc/02/97/35/417029735.db2.gz AOBGVNUMIGRUJM-GFCCVEGCSA-N 2 2 306.414 0.792 10 0 DCAELP CCCCNc1cc(N2CC[N@H+]3CCOC[C@H]3C2)nc(N)[nH+]1 ZINC000376431708 417029745 /nfs/dbraw/zinc/02/97/45/417029745.db2.gz AOBGVNUMIGRUJM-GFCCVEGCSA-N 2 2 306.414 0.792 10 0 DCAELP CO[C@@H]1C[C@@H](c2ncc[nH]2)[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000643855792 417400406 /nfs/dbraw/zinc/40/04/06/417400406.db2.gz KOOKTDWWSIDBAQ-KGLIPLIRSA-N 2 2 321.425 0.336 10 0 DCAELP CO[C@@H]1C[C@@H](c2ncc[nH]2)[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000643855792 417400414 /nfs/dbraw/zinc/40/04/14/417400414.db2.gz KOOKTDWWSIDBAQ-KGLIPLIRSA-N 2 2 321.425 0.336 10 0 DCAELP COC(=O)[C@](C)(O)C[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000580477850 417705718 /nfs/dbraw/zinc/70/57/18/417705718.db2.gz GHNVEZPAETUUIT-MLGOLLRUSA-N 2 2 307.394 0.933 10 0 DCAELP COC(=O)[C@](C)(O)C[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000580477850 417705722 /nfs/dbraw/zinc/70/57/22/417705722.db2.gz GHNVEZPAETUUIT-MLGOLLRUSA-N 2 2 307.394 0.933 10 0 DCAELP C[NH+](C)CCn1ccc(NC(=O)[C@H]2CCc3c[nH+]cn3C2)n1 ZINC000581372770 417728898 /nfs/dbraw/zinc/72/88/98/417728898.db2.gz XHLNAKLTILMKGK-LBPRGKRZSA-N 2 2 302.382 0.842 10 0 DCAELP COC(=O)[C@H](C1CC1)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000359603548 271130918 /nfs/dbraw/zinc/13/09/18/271130918.db2.gz VUDSYPUQHSHCNX-AWEZNQCLSA-N 2 2 312.410 0.097 10 0 DCAELP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCCC[C@@H]2n2cccn2)CC1 ZINC000127866088 277090645 /nfs/dbraw/zinc/09/06/45/277090645.db2.gz CZYISAQAWVFGGV-GJZGRUSLSA-N 2 2 305.426 0.730 10 0 DCAELP CC[C@@H]1CN(C(=O)NCCn2cc[nH+]c2)CC[N@@H+]1C[C@@H](C)O ZINC000181525947 280355331 /nfs/dbraw/zinc/35/53/31/280355331.db2.gz LJIGSFFZMSANEG-ZIAGYGMSSA-N 2 2 309.414 0.370 10 0 DCAELP CC[C@@H]1CN(C(=O)NCCn2cc[nH+]c2)CC[N@H+]1C[C@@H](C)O ZINC000181525947 280355334 /nfs/dbraw/zinc/35/53/34/280355334.db2.gz LJIGSFFZMSANEG-ZIAGYGMSSA-N 2 2 309.414 0.370 10 0 DCAELP NC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000150824585 303328737 /nfs/dbraw/zinc/32/87/37/303328737.db2.gz JCAMAHKOPOEYBG-CABCVRRESA-N 2 2 322.453 0.128 10 0 DCAELP NC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000150824585 303328740 /nfs/dbraw/zinc/32/87/40/303328740.db2.gz JCAMAHKOPOEYBG-CABCVRRESA-N 2 2 322.453 0.128 10 0 DCAELP CCCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000105797702 519892366 /nfs/dbraw/zinc/89/23/66/519892366.db2.gz FLTAFNYAGIZJBC-QWHCGFSZSA-N 2 2 320.441 0.991 10 0 DCAELP CC1(C)NC(=O)N(CC[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)C1=O ZINC000156397168 520604617 /nfs/dbraw/zinc/60/46/17/520604617.db2.gz XXCHLWQEHDNBSM-ZDUSSCGKSA-N 2 2 318.377 0.865 10 0 DCAELP CC1(C)NC(=O)N(CC[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)C1=O ZINC000156397168 520604623 /nfs/dbraw/zinc/60/46/23/520604623.db2.gz XXCHLWQEHDNBSM-ZDUSSCGKSA-N 2 2 318.377 0.865 10 0 DCAELP C[C@@H](C(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1)[C@H](C)[NH3+] ZINC000248974707 524126407 /nfs/dbraw/zinc/12/64/07/524126407.db2.gz DRWAOXMAQVQBGL-IJEWVQPXSA-N 2 2 305.422 0.848 10 0 DCAELP C[C@H](CNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000246948556 524424492 /nfs/dbraw/zinc/42/44/92/524424492.db2.gz HYCVHRJUDAADMF-RBSFLKMASA-N 2 2 312.458 0.879 10 0 DCAELP C[C@@]1(C[NH+]2CCN(c3ccc(C(N)=O)cc3)CC2)CC[NH2+]C1 ZINC000261695605 661426702 /nfs/dbraw/zinc/42/67/02/661426702.db2.gz BGOGKYSZDVJDRC-QGZVFWFLSA-N 2 2 302.422 0.907 10 0 DCAELP Cc1cc(N2CCC[N@@H+](Cc3nccn3C)CC2)nc(N)[nH+]1 ZINC000729920032 662913125 /nfs/dbraw/zinc/91/31/25/662913125.db2.gz QEEUVZHZKRMNPB-UHFFFAOYSA-N 2 2 301.398 0.813 10 0 DCAELP Cc1cc(N2CCC[N@H+](Cc3nccn3C)CC2)nc(N)[nH+]1 ZINC000729920032 662913126 /nfs/dbraw/zinc/91/31/26/662913126.db2.gz QEEUVZHZKRMNPB-UHFFFAOYSA-N 2 2 301.398 0.813 10 0 DCAELP Cc1[nH+]c2n(c1C)CCN(C(=O)[C@H](C[NH3+])C1CCOCC1)C2 ZINC000864749281 667279504 /nfs/dbraw/zinc/27/95/04/667279504.db2.gz XHSHHHWESZIOMB-CQSZACIVSA-N 2 2 306.410 0.844 10 0 DCAELP Cc1noc(C[C@]2(O)CCC[N@H+](CCn3cc[nH+]c3C)C2)n1 ZINC000886080243 667729465 /nfs/dbraw/zinc/72/94/65/667729465.db2.gz QXGRTBDYIOOPIX-OAHLLOKOSA-N 2 2 305.382 0.953 10 0 DCAELP Cc1noc(C[C@]2(O)CCC[N@@H+](CCn3cc[nH+]c3C)C2)n1 ZINC000886080243 667729467 /nfs/dbraw/zinc/72/94/67/667729467.db2.gz QXGRTBDYIOOPIX-OAHLLOKOSA-N 2 2 305.382 0.953 10 0 DCAELP C[C@@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2)C[C@@H]1[NH+]1CCOCC1 ZINC000252671447 685187005 /nfs/dbraw/zinc/18/70/05/685187005.db2.gz VUHWZIQZYYNTRB-KBMXLJTQSA-N 2 2 303.406 0.866 10 0 DCAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCC(C(N)=O)CC2)[C@H](C)C1 ZINC000175727000 1184112620 /nfs/dbraw/zinc/11/26/20/1184112620.db2.gz GAWYZUXLPKODCN-UKRRQHHQSA-N 2 2 324.469 0.372 10 0 DCAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCC(C(N)=O)CC2)[C@H](C)C1 ZINC000175727000 1184112632 /nfs/dbraw/zinc/11/26/32/1184112632.db2.gz GAWYZUXLPKODCN-UKRRQHHQSA-N 2 2 324.469 0.372 10 0 DCAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N2CCC(C(N)=O)CC2)[C@H](C)C1 ZINC000175727000 1184112637 /nfs/dbraw/zinc/11/26/37/1184112637.db2.gz GAWYZUXLPKODCN-UKRRQHHQSA-N 2 2 324.469 0.372 10 0 DCAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N2CCC(C(N)=O)CC2)[C@H](C)C1 ZINC000175727000 1184112644 /nfs/dbraw/zinc/11/26/44/1184112644.db2.gz GAWYZUXLPKODCN-UKRRQHHQSA-N 2 2 324.469 0.372 10 0 DCAELP C[NH+](C)[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@H](C(N)=O)C2)CC1 ZINC000377280092 282186747 /nfs/dbraw/zinc/18/67/47/282186747.db2.gz YEXXXXOAXCCJHT-UONOGXRCSA-N 2 2 310.442 0.126 10 0 DCAELP C[NH+](C)[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@H](C(N)=O)C2)CC1 ZINC000377280092 282186751 /nfs/dbraw/zinc/18/67/51/282186751.db2.gz YEXXXXOAXCCJHT-UONOGXRCSA-N 2 2 310.442 0.126 10 0 DCAELP C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000264251072 186327411 /nfs/dbraw/zinc/32/74/11/186327411.db2.gz BMIQIYHJOYKMIO-QWHCGFSZSA-N 2 2 307.398 0.629 10 0 DCAELP C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000264251072 186327413 /nfs/dbraw/zinc/32/74/13/186327413.db2.gz BMIQIYHJOYKMIO-QWHCGFSZSA-N 2 2 307.398 0.629 10 0 DCAELP OC[C@@H]1CCCN1c1cc(N2CC[N@@H+]3CCC[C@@H]3C2)nc[nH+]1 ZINC000171939310 198011368 /nfs/dbraw/zinc/01/13/68/198011368.db2.gz NFAYIHXTBPBEGG-KGLIPLIRSA-N 2 2 303.410 0.722 10 0 DCAELP OC[C@@H]1CCCN1c1cc(N2CC[N@H+]3CCC[C@@H]3C2)nc[nH+]1 ZINC000171939310 198011369 /nfs/dbraw/zinc/01/13/69/198011369.db2.gz NFAYIHXTBPBEGG-KGLIPLIRSA-N 2 2 303.410 0.722 10 0 DCAELP Cn1ncc2c1nc(N1CCC[C@@H]([C@H]3CC[NH2+]C3)C1)[nH+]c2N ZINC000333899844 282843920 /nfs/dbraw/zinc/84/39/20/282843920.db2.gz YXZCJCJLHLJKOE-WDEREUQCSA-N 2 2 301.398 0.771 10 0 DCAELP C[N@@H+]1CCO[C@H](CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000104779954 194037917 /nfs/dbraw/zinc/03/79/17/194037917.db2.gz GRZXGRNUVHYYIK-CYBMUJFWSA-N 2 2 312.458 0.925 10 0 DCAELP C[N@H+]1CCO[C@H](CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000104779954 194037918 /nfs/dbraw/zinc/03/79/18/194037918.db2.gz GRZXGRNUVHYYIK-CYBMUJFWSA-N 2 2 312.458 0.925 10 0 DCAELP CC(C)n1nnnc1C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000105862732 194149759 /nfs/dbraw/zinc/14/97/59/194149759.db2.gz OWEYLPQYWRVTBQ-ZDUSSCGKSA-N 2 2 310.446 0.779 10 0 DCAELP CC(C)n1nnnc1C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000105862732 194149761 /nfs/dbraw/zinc/14/97/61/194149761.db2.gz OWEYLPQYWRVTBQ-ZDUSSCGKSA-N 2 2 310.446 0.779 10 0 DCAELP CCCNC(=O)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863051 194150720 /nfs/dbraw/zinc/15/07/20/194150720.db2.gz YSGHTBGYNXZYCO-UHFFFAOYSA-N 2 2 307.442 0.806 10 0 DCAELP CCCNC(=O)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863051 194150722 /nfs/dbraw/zinc/15/07/22/194150722.db2.gz YSGHTBGYNXZYCO-UHFFFAOYSA-N 2 2 307.442 0.806 10 0 DCAELP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CC1 ZINC000193653595 395776078 /nfs/dbraw/zinc/77/60/78/395776078.db2.gz GXZRAUCKPWAJRK-GASCZTMLSA-N 3 2 308.470 0.469 10 0 DCAELP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CC1 ZINC000193653595 395776080 /nfs/dbraw/zinc/77/60/80/395776080.db2.gz GXZRAUCKPWAJRK-GASCZTMLSA-N 3 2 308.470 0.469 10 0 DCAELP CC(C)[NH+]1CCC(NC(=O)C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)CC1 ZINC000193653595 395776081 /nfs/dbraw/zinc/77/60/81/395776081.db2.gz GXZRAUCKPWAJRK-GASCZTMLSA-N 3 2 308.470 0.469 10 0 DCAELP CC(C)[NH+]1CCC(NC(=O)C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)CC1 ZINC000193653595 395776083 /nfs/dbraw/zinc/77/60/83/395776083.db2.gz GXZRAUCKPWAJRK-GASCZTMLSA-N 3 2 308.470 0.469 10 0 DCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000194661709 395803820 /nfs/dbraw/zinc/80/38/20/395803820.db2.gz SPFHODKBWUFLCS-CQSZACIVSA-N 2 2 310.442 0.587 10 0 DCAELP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000247606026 395977243 /nfs/dbraw/zinc/97/72/43/395977243.db2.gz LRLLFVSQHNHJLJ-HOTGVXAUSA-N 2 2 323.485 0.502 10 0 DCAELP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000247606026 395977245 /nfs/dbraw/zinc/97/72/45/395977245.db2.gz LRLLFVSQHNHJLJ-HOTGVXAUSA-N 2 2 323.485 0.502 10 0 DCAELP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000247606026 395977247 /nfs/dbraw/zinc/97/72/47/395977247.db2.gz LRLLFVSQHNHJLJ-HOTGVXAUSA-N 2 2 323.485 0.502 10 0 DCAELP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000247606026 395977249 /nfs/dbraw/zinc/97/72/49/395977249.db2.gz LRLLFVSQHNHJLJ-HOTGVXAUSA-N 2 2 323.485 0.502 10 0 DCAELP C[C@]1(C[NH+]2CCN(c3ccc(C(N)=O)cn3)CC2)CC[NH2+]C1 ZINC000261776849 396065038 /nfs/dbraw/zinc/06/50/38/396065038.db2.gz NNYFNGORGXETDR-INIZCTEOSA-N 2 2 303.410 0.302 10 0 DCAELP C[C@H](c1nnnn1C)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000249261864 396004200 /nfs/dbraw/zinc/00/42/00/396004200.db2.gz IADWZPJFXHDJTH-ZIAGYGMSSA-N 2 2 307.446 0.373 10 0 DCAELP C[C@H](c1nnnn1C)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000249261864 396004205 /nfs/dbraw/zinc/00/42/05/396004205.db2.gz IADWZPJFXHDJTH-ZIAGYGMSSA-N 2 2 307.446 0.373 10 0 DCAELP O[C@@H](CN1CCOCC1)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249918717 396013564 /nfs/dbraw/zinc/01/35/64/396013564.db2.gz YEAYVYVQVDSDFG-HOTGVXAUSA-N 2 2 320.437 0.509 10 0 DCAELP O[C@@H](CN1CCOCC1)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249918717 396013566 /nfs/dbraw/zinc/01/35/66/396013566.db2.gz YEAYVYVQVDSDFG-HOTGVXAUSA-N 2 2 320.437 0.509 10 0 DCAELP [NH3+]C1(C(=O)N2CC[NH+](Cc3cccnc3)CC2)CCOCC1 ZINC000262066644 396095514 /nfs/dbraw/zinc/09/55/14/396095514.db2.gz FMMYKTZPZWDIRW-UHFFFAOYSA-N 2 2 304.394 0.234 10 0 DCAELP Cc1nc2cncc(N3CC[NH+](C[C@@]4(C)CC[NH2+]C4)CC3)n2n1 ZINC000262106202 396099963 /nfs/dbraw/zinc/09/99/63/396099963.db2.gz VZMRTZPMDXSCIW-INIZCTEOSA-N 2 2 315.425 0.554 10 0 DCAELP CN1CC[NH2+]C[C@H]1c1noc(-c2ccnc(-n3cc[nH+]c3)c2)n1 ZINC000263223595 396206832 /nfs/dbraw/zinc/20/68/32/396206832.db2.gz MJGCJBBIYHDWJC-LBPRGKRZSA-N 2 2 311.349 0.893 10 0 DCAELP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263273342 396211357 /nfs/dbraw/zinc/21/13/57/396211357.db2.gz SNMVRNSGERFMAP-WCQYABFASA-N 2 2 317.380 0.601 10 0 DCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCN1C(=O)NC(C)(C)C1=O ZINC000178305490 396193618 /nfs/dbraw/zinc/19/36/18/396193618.db2.gz SLGXCYHZEHRXJK-CYBMUJFWSA-N 2 2 319.409 0.986 10 0 DCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCN1C(=O)NC(C)(C)C1=O ZINC000178305490 396193622 /nfs/dbraw/zinc/19/36/22/396193622.db2.gz SLGXCYHZEHRXJK-CYBMUJFWSA-N 2 2 319.409 0.986 10 0 DCAELP C[NH+]1CCC(O)(CNC(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000607213777 397698477 /nfs/dbraw/zinc/69/84/77/397698477.db2.gz VSMROZFZBZTGMA-UHFFFAOYSA-N 2 2 303.366 0.913 10 0 DCAELP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000077793223 158070685 /nfs/dbraw/zinc/07/06/85/158070685.db2.gz OCIXIQUATQUTTN-KBPBESRZSA-N 2 2 300.447 0.737 10 0 DCAELP CC(C)[NH+](CCNC(=O)NC[C@H]1C[N@H+](C)CCO1)C(C)C ZINC000104800084 158129647 /nfs/dbraw/zinc/12/96/47/158129647.db2.gz HDKXIXMKUPAUDH-AWEZNQCLSA-N 2 2 300.447 0.735 10 0 DCAELP CC(C)[NH+](CCNC(=O)NC[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC000104800084 158129649 /nfs/dbraw/zinc/12/96/49/158129649.db2.gz HDKXIXMKUPAUDH-AWEZNQCLSA-N 2 2 300.447 0.735 10 0 DCAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3cncnc3)CC2)C1 ZINC000121023328 158207032 /nfs/dbraw/zinc/20/70/32/158207032.db2.gz CGDKWDQYFIGDLB-QGZVFWFLSA-N 2 2 319.453 0.703 10 0 DCAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](Cc3cncnc3)CC2)C1 ZINC000121023328 158207034 /nfs/dbraw/zinc/20/70/34/158207034.db2.gz CGDKWDQYFIGDLB-QGZVFWFLSA-N 2 2 319.453 0.703 10 0 DCAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NCCCN2CCCC2=O)CC[N@@H+]1C ZINC000123696835 158232435 /nfs/dbraw/zinc/23/24/35/158232435.db2.gz IYVLZTUWAXLFMM-CABCVRRESA-N 2 2 324.469 0.530 10 0 DCAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NCCCN2CCCC2=O)CC[N@H+]1C ZINC000123696835 158232437 /nfs/dbraw/zinc/23/24/37/158232437.db2.gz IYVLZTUWAXLFMM-CABCVRRESA-N 2 2 324.469 0.530 10 0 DCAELP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)NCCCN2CCCC2=O)CC[NH+]1C ZINC000123696835 158232439 /nfs/dbraw/zinc/23/24/39/158232439.db2.gz IYVLZTUWAXLFMM-CABCVRRESA-N 2 2 324.469 0.530 10 0 DCAELP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)NCCCN2CCCC2=O)CC[NH+]1C ZINC000123696835 158232441 /nfs/dbraw/zinc/23/24/41/158232441.db2.gz IYVLZTUWAXLFMM-CABCVRRESA-N 2 2 324.469 0.530 10 0 DCAELP C[C@@H]1CN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)[C@@H](C)C[N@@H+]1C ZINC000408389745 160098127 /nfs/dbraw/zinc/09/81/27/160098127.db2.gz NSEOTCNJDFLGSP-RDBSUJKOSA-N 2 2 305.426 0.967 10 0 DCAELP C[C@@H]1CN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)[C@@H](C)C[N@H+]1C ZINC000408389745 160098128 /nfs/dbraw/zinc/09/81/28/160098128.db2.gz NSEOTCNJDFLGSP-RDBSUJKOSA-N 2 2 305.426 0.967 10 0 DCAELP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106431970 286849247 /nfs/dbraw/zinc/84/92/47/286849247.db2.gz IELFAVUCLWLYQI-RDJZCZTQSA-N 2 2 319.449 0.996 10 0 DCAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](C)C(=O)N(C)C)[C@@H](C)C1 ZINC000245435294 287069217 /nfs/dbraw/zinc/06/92/17/287069217.db2.gz QIDAKDUIADMQQQ-IHRRRGAJSA-N 2 2 312.458 0.241 10 0 DCAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](C)C(=O)N(C)C)[C@@H](C)C1 ZINC000245435294 287069219 /nfs/dbraw/zinc/06/92/19/287069219.db2.gz QIDAKDUIADMQQQ-IHRRRGAJSA-N 2 2 312.458 0.241 10 0 DCAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@@H](C)C(=O)N(C)C)[C@@H](C)C1 ZINC000245435294 287069221 /nfs/dbraw/zinc/06/92/21/287069221.db2.gz QIDAKDUIADMQQQ-IHRRRGAJSA-N 2 2 312.458 0.241 10 0 DCAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](C)C(=O)N(C)C)[C@@H](C)C1 ZINC000245435294 287069222 /nfs/dbraw/zinc/06/92/22/287069222.db2.gz QIDAKDUIADMQQQ-IHRRRGAJSA-N 2 2 312.458 0.241 10 0 DCAELP C[NH+](C)CC(=O)N1CC[NH+](C[C@](C)(O)c2ccccc2)CC1 ZINC000106382677 415644758 /nfs/dbraw/zinc/64/47/58/415644758.db2.gz AACIJJJBMGLQQU-KRWDZBQOSA-N 2 2 305.422 0.600 10 0 DCAELP C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000333475157 415662164 /nfs/dbraw/zinc/66/21/64/415662164.db2.gz BJMOSJMLPIGPJU-GOEBONIOSA-N 2 2 317.437 0.907 10 0 DCAELP CC1(C)C[N@H+](CCNC(=O)N2CCC3(CC[NH2+]C3)CC2)CCO1 ZINC000333805646 415744061 /nfs/dbraw/zinc/74/40/61/415744061.db2.gz OTJPEFMJQMKFFT-UHFFFAOYSA-N 2 2 324.469 0.882 10 0 DCAELP CC1(C)C[N@@H+](CCNC(=O)N2CCC3(CC[NH2+]C3)CC2)CCO1 ZINC000333805646 415744064 /nfs/dbraw/zinc/74/40/64/415744064.db2.gz OTJPEFMJQMKFFT-UHFFFAOYSA-N 2 2 324.469 0.882 10 0 DCAELP C[NH+](C)[C@H](C(=O)NC[C@@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC000132950214 415937377 /nfs/dbraw/zinc/93/73/77/415937377.db2.gz QDQNPMPUMZOPRH-CVEARBPZSA-N 2 2 321.421 0.099 10 0 DCAELP O=C(NCCCC[NH+]1CCCC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173785360 416065305 /nfs/dbraw/zinc/06/53/05/416065305.db2.gz CLFNDHAINUEUBN-MRXNPFEDSA-N 2 2 324.469 0.979 10 0 DCAELP COCCOCC[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000175648451 416110004 /nfs/dbraw/zinc/11/00/04/416110004.db2.gz RLRHXDFTNQENNZ-UHFFFAOYSA-N 2 2 310.442 0.942 10 0 DCAELP COCCOCC[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000175648451 416110005 /nfs/dbraw/zinc/11/00/05/416110005.db2.gz RLRHXDFTNQENNZ-UHFFFAOYSA-N 2 2 310.442 0.942 10 0 DCAELP Cn1cncc1C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000177066667 416140642 /nfs/dbraw/zinc/14/06/42/416140642.db2.gz HXOAJGVBJPAGJC-UHFFFAOYSA-N 2 2 319.453 0.796 10 0 DCAELP O=S(=O)([C@@H]1CC[N@H+](CCCn2cc[nH+]c2)C1)N1CCCC1 ZINC000182866447 416233399 /nfs/dbraw/zinc/23/33/99/416233399.db2.gz AVJKGPSORYSKSG-CQSZACIVSA-N 2 2 312.439 0.773 10 0 DCAELP O=S(=O)([C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1)N1CCCC1 ZINC000182866447 416233402 /nfs/dbraw/zinc/23/34/02/416233402.db2.gz AVJKGPSORYSKSG-CQSZACIVSA-N 2 2 312.439 0.773 10 0 DCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000180532845 416197152 /nfs/dbraw/zinc/19/71/52/416197152.db2.gz ZGTGZZCYDQSRGJ-OAHLLOKOSA-N 3 2 305.426 0.430 10 0 DCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000180532845 416197156 /nfs/dbraw/zinc/19/71/56/416197156.db2.gz ZGTGZZCYDQSRGJ-OAHLLOKOSA-N 3 2 305.426 0.430 10 0 DCAELP C[C@@H](CCNC(=O)NC[C@H]1C[N@H+](C)CCO1)[NH+]1CCCCC1 ZINC000181713429 416211403 /nfs/dbraw/zinc/21/14/03/416211403.db2.gz YEVKJUBBRTXNQT-GJZGRUSLSA-N 2 2 312.458 0.881 10 0 DCAELP C[C@@H](CCNC(=O)NC[C@H]1C[N@@H+](C)CCO1)[NH+]1CCCCC1 ZINC000181713429 416211406 /nfs/dbraw/zinc/21/14/06/416211406.db2.gz YEVKJUBBRTXNQT-GJZGRUSLSA-N 2 2 312.458 0.881 10 0 DCAELP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@H](CO)C2CC2)CC1 ZINC000358942915 416295010 /nfs/dbraw/zinc/29/50/10/416295010.db2.gz VDOYERIATPKPPV-CQSZACIVSA-N 2 2 312.458 0.330 10 0 DCAELP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C[C@H]1CC ZINC000263279519 416337717 /nfs/dbraw/zinc/33/77/17/416337717.db2.gz UCQWMHLIRLPFPV-OLZOCXBDSA-N 2 2 319.396 0.943 10 0 DCAELP CCOCC[N@H+]1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C[C@H]1CC ZINC000263279519 416337718 /nfs/dbraw/zinc/33/77/18/416337718.db2.gz UCQWMHLIRLPFPV-OLZOCXBDSA-N 2 2 319.396 0.943 10 0 DCAELP Cc1ccc(NC(=O)C(=O)NCCNc2cc[nH+]cc2)c(C)[nH+]1 ZINC000447132747 416966308 /nfs/dbraw/zinc/96/63/08/416966308.db2.gz KZEMVWANAVMEFY-UHFFFAOYSA-N 2 2 313.361 0.682 10 0 DCAELP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC3CCC2(C[NH3+])CC3)CC1 ZINC000576957977 417651650 /nfs/dbraw/zinc/65/16/50/417651650.db2.gz UYAXSPLDWYYELK-KTAKPFMOSA-N 2 2 322.453 0.269 10 0 DCAELP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC3CCC2(C[NH3+])CC3)CC1 ZINC000576957977 417651656 /nfs/dbraw/zinc/65/16/56/417651656.db2.gz UYAXSPLDWYYELK-KTAKPFMOSA-N 2 2 322.453 0.269 10 0 DCAELP C[C@@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)[C@H]1CCCO1 ZINC000183123016 545906922 /nfs/dbraw/zinc/90/69/22/545906922.db2.gz JHJMXXFDFBLWNS-ZIAGYGMSSA-N 2 2 313.442 0.371 10 0 DCAELP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000194891685 261149783 /nfs/dbraw/zinc/14/97/83/261149783.db2.gz XZHPMDPZAKZAJY-UONOGXRCSA-N 2 2 323.441 0.848 10 0 DCAELP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@H]2O)CC1 ZINC000318764174 277089926 /nfs/dbraw/zinc/08/99/26/277089926.db2.gz LOHPRODKBKDVJV-BZUAXINKSA-N 2 2 309.454 0.776 10 0 DCAELP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2[C@H]2CCCC[C@H]2O)CC1 ZINC000318764174 277089927 /nfs/dbraw/zinc/08/99/27/277089927.db2.gz LOHPRODKBKDVJV-BZUAXINKSA-N 2 2 309.454 0.776 10 0 DCAELP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000333423164 546080758 /nfs/dbraw/zinc/08/07/58/546080758.db2.gz SVURBORBVJYEKA-HZSPNIEDSA-N 2 2 303.410 0.958 10 0 DCAELP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000333423173 546080857 /nfs/dbraw/zinc/08/08/57/546080857.db2.gz SVURBORBVJYEKA-RDBSUJKOSA-N 2 2 303.410 0.958 10 0 DCAELP CCN1C(=O)CN(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)C1=O ZINC000176076714 657799441 /nfs/dbraw/zinc/79/94/41/657799441.db2.gz UUSAHWVCPSLLJC-CYBMUJFWSA-N 2 2 305.382 0.898 10 0 DCAELP CCN1C(=O)CN(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)C1=O ZINC000176076714 657799451 /nfs/dbraw/zinc/79/94/51/657799451.db2.gz UUSAHWVCPSLLJC-CYBMUJFWSA-N 2 2 305.382 0.898 10 0 DCAELP C[C@]1(C[NH+]2CCN(c3ccc(C(N)=O)cc3)CC2)CC[NH2+]C1 ZINC000261695599 658284891 /nfs/dbraw/zinc/28/48/91/658284891.db2.gz BGOGKYSZDVJDRC-KRWDZBQOSA-N 2 2 302.422 0.907 10 0 DCAELP C[NH+](C)[C@@H]1CN(Cc2cccc3[nH+]ccn32)C[C@@H]1n1ccnn1 ZINC000862498110 667046186 /nfs/dbraw/zinc/04/61/86/667046186.db2.gz VZIHWEXIBYXVOI-CABCVRRESA-N 2 2 311.393 0.913 10 0 DCAELP Cn1ncc2c1nc(N1CCC([C@H]3CCC[NH2+]3)CC1)[nH+]c2N ZINC000333584198 282843349 /nfs/dbraw/zinc/84/33/49/282843349.db2.gz UMMOTPDZOCROFH-GFCCVEGCSA-N 2 2 301.398 0.914 10 0 DCAELP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@H]1c1ccccc1 ZINC000248145000 283128559 /nfs/dbraw/zinc/12/85/59/283128559.db2.gz ZJQXRRCEYUVXMN-HRCADAONSA-N 2 2 303.406 0.879 10 0 DCAELP C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@H]1c1ccccc1 ZINC000248145000 283128566 /nfs/dbraw/zinc/12/85/66/283128566.db2.gz ZJQXRRCEYUVXMN-HRCADAONSA-N 2 2 303.406 0.879 10 0 DCAELP C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H]1c1ccccc1 ZINC000248145000 283128570 /nfs/dbraw/zinc/12/85/70/283128570.db2.gz ZJQXRRCEYUVXMN-HRCADAONSA-N 2 2 303.406 0.879 10 0 DCAELP C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H]1c1ccccc1 ZINC000248145000 283128574 /nfs/dbraw/zinc/12/85/74/283128574.db2.gz ZJQXRRCEYUVXMN-HRCADAONSA-N 2 2 303.406 0.879 10 0 DCAELP C[N@H+]1C[C@@H]2C[NH+](CC(=O)NC(=O)NC3CCCCC3)C[C@@H]2C1 ZINC000193620863 283212021 /nfs/dbraw/zinc/21/20/21/283212021.db2.gz QXKOCUMNYVMICB-BETUJISGSA-N 2 2 308.426 0.638 10 0 DCAELP C[N@@H+]1C[C@@H]2C[NH+](CC(=O)NC(=O)NC3CCCCC3)C[C@@H]2C1 ZINC000193620863 283212025 /nfs/dbraw/zinc/21/20/25/283212025.db2.gz QXKOCUMNYVMICB-BETUJISGSA-N 2 2 308.426 0.638 10 0 DCAELP C[NH+]1C[C@@H]2C[N@@H+](CC(=O)NC(=O)NC3CCCCC3)C[C@@H]2C1 ZINC000193620863 283212028 /nfs/dbraw/zinc/21/20/28/283212028.db2.gz QXKOCUMNYVMICB-BETUJISGSA-N 2 2 308.426 0.638 10 0 DCAELP C[NH+]1C[C@@H]2C[N@H+](CC(=O)NC(=O)NC3CCCCC3)C[C@@H]2C1 ZINC000193620863 283212030 /nfs/dbraw/zinc/21/20/30/283212030.db2.gz QXKOCUMNYVMICB-BETUJISGSA-N 2 2 308.426 0.638 10 0 DCAELP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CC[NH+](Cc3cccs3)CC2)O1 ZINC000094567786 193381072 /nfs/dbraw/zinc/38/10/72/193381072.db2.gz GOPHMFBRXWIRJN-OCCSQVGLSA-N 2 2 309.435 0.899 10 0 DCAELP CC(C)C[NH+]1CCC(NC(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000104786746 194039627 /nfs/dbraw/zinc/03/96/27/194039627.db2.gz QCPWGGRIDIUKML-HNNXBMFYSA-N 2 2 312.458 0.737 10 0 DCAELP CC(C)C[NH+]1CCC(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000104786746 194039629 /nfs/dbraw/zinc/03/96/29/194039629.db2.gz QCPWGGRIDIUKML-HNNXBMFYSA-N 2 2 312.458 0.737 10 0 DCAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NCC(=O)OC)C1 ZINC000105897336 194163094 /nfs/dbraw/zinc/16/30/94/194163094.db2.gz SPCWPQUGWBHZST-QWHCGFSZSA-N 2 2 322.409 0.760 10 0 DCAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NCC(=O)OC)C1 ZINC000105897336 194163095 /nfs/dbraw/zinc/16/30/95/194163095.db2.gz SPCWPQUGWBHZST-QWHCGFSZSA-N 2 2 322.409 0.760 10 0 DCAELP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000106454280 194216410 /nfs/dbraw/zinc/21/64/10/194216410.db2.gz UBIGEOOMYUUVTJ-KRWDZBQOSA-N 2 2 319.449 0.998 10 0 DCAELP C[C@@H](C(=O)N(C)C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119618516 195004468 /nfs/dbraw/zinc/00/44/68/195004468.db2.gz HCNVJLOHLRUROU-LSVZVQIISA-N 2 2 308.470 0.706 10 0 DCAELP C[C@@H](C(=O)N(C)C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119618516 195004471 /nfs/dbraw/zinc/00/44/71/195004471.db2.gz HCNVJLOHLRUROU-LSVZVQIISA-N 2 2 308.470 0.706 10 0 DCAELP C[C@@H](C(=O)N(C)C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119618516 195004472 /nfs/dbraw/zinc/00/44/72/195004472.db2.gz HCNVJLOHLRUROU-LSVZVQIISA-N 2 2 308.470 0.706 10 0 DCAELP C[C@@H](C(=O)N(C)C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119618516 195004474 /nfs/dbraw/zinc/00/44/74/195004474.db2.gz HCNVJLOHLRUROU-LSVZVQIISA-N 2 2 308.470 0.706 10 0 DCAELP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)C1 ZINC000261959957 285360284 /nfs/dbraw/zinc/36/02/84/285360284.db2.gz MHFVTFKEVDWOQF-CABCVRRESA-N 2 2 304.394 0.275 10 0 DCAELP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)C1 ZINC000261959957 285360286 /nfs/dbraw/zinc/36/02/86/285360286.db2.gz MHFVTFKEVDWOQF-CABCVRRESA-N 2 2 304.394 0.275 10 0 DCAELP CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000105174130 395780365 /nfs/dbraw/zinc/78/03/65/395780365.db2.gz QUPBFJKTUJAACL-ZNMIVQPWSA-N 2 2 312.458 0.879 10 0 DCAELP CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000105174130 395780368 /nfs/dbraw/zinc/78/03/68/395780368.db2.gz QUPBFJKTUJAACL-ZNMIVQPWSA-N 2 2 312.458 0.879 10 0 DCAELP NC(=O)[C@H]1CCCN(C(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)C1 ZINC000111243099 395805068 /nfs/dbraw/zinc/80/50/68/395805068.db2.gz MNYJKWWJHQLRTC-ZDUSSCGKSA-N 2 2 319.409 0.244 10 0 DCAELP CCCCOC[C@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000195179136 395819593 /nfs/dbraw/zinc/81/95/93/395819593.db2.gz NCEFCAXKDOXXHJ-HZPDHXFCSA-N 2 2 300.443 0.818 10 0 DCAELP CCCCOC[C@H](O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000195179136 395819596 /nfs/dbraw/zinc/81/95/96/395819596.db2.gz NCEFCAXKDOXXHJ-HZPDHXFCSA-N 2 2 300.443 0.818 10 0 DCAELP CC(C)n1nnnc1C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000195519343 395831473 /nfs/dbraw/zinc/83/14/73/395831473.db2.gz WHTFONUOXJBLSV-UHFFFAOYSA-N 2 2 323.445 0.144 10 0 DCAELP Cc1cc[nH+]c(NCC(=O)N2CC[NH2+]CC2)c1Br ZINC000235930565 395893360 /nfs/dbraw/zinc/89/33/60/395893360.db2.gz FTDMMNCWCOCKCR-UHFFFAOYSA-N 2 2 313.199 0.996 10 0 DCAELP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)[C@H]1COCC[NH2+]1 ZINC000237201713 395907080 /nfs/dbraw/zinc/90/70/80/395907080.db2.gz RTYPLBJZSDRZRX-OAHLLOKOSA-N 2 2 314.389 0.878 10 0 DCAELP C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000247237186 395969673 /nfs/dbraw/zinc/96/96/73/395969673.db2.gz XNNUUAFNFCUZNA-LSDHHAIUSA-N 2 2 310.442 0.444 10 0 DCAELP C[N@H+]1CCC[C@@H](CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000247237186 395969677 /nfs/dbraw/zinc/96/96/77/395969677.db2.gz XNNUUAFNFCUZNA-LSDHHAIUSA-N 2 2 310.442 0.444 10 0 DCAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NCC(=O)OC)C1 ZINC000247243751 395969894 /nfs/dbraw/zinc/96/98/94/395969894.db2.gz SPCWPQUGWBHZST-CHWSQXEVSA-N 2 2 322.409 0.760 10 0 DCAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)NCC(=O)OC)C1 ZINC000247243751 395969897 /nfs/dbraw/zinc/96/98/97/395969897.db2.gz SPCWPQUGWBHZST-CHWSQXEVSA-N 2 2 322.409 0.760 10 0 DCAELP CC[C@@H]1CN(C(=O)NCCn2cc[nH+]c2)CC[N@@H+]1C[C@H](C)O ZINC000248373786 395985279 /nfs/dbraw/zinc/98/52/79/395985279.db2.gz LJIGSFFZMSANEG-UONOGXRCSA-N 2 2 309.414 0.370 10 0 DCAELP CC[C@@H]1CN(C(=O)NCCn2cc[nH+]c2)CC[N@H+]1C[C@H](C)O ZINC000248373786 395985280 /nfs/dbraw/zinc/98/52/80/395985280.db2.gz LJIGSFFZMSANEG-UONOGXRCSA-N 2 2 309.414 0.370 10 0 DCAELP C[C@@H]1CN(CC[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CCO1 ZINC000249276129 396005685 /nfs/dbraw/zinc/00/56/85/396005685.db2.gz LASBGODDFJEBNA-QZTJIDSGSA-N 2 2 324.513 0.809 10 0 DCAELP C[C@@H]1CN(CC[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)CCO1 ZINC000249276129 396005688 /nfs/dbraw/zinc/00/56/88/396005688.db2.gz LASBGODDFJEBNA-QZTJIDSGSA-N 2 2 324.513 0.809 10 0 DCAELP C[C@@H](C(=O)N1CCCCCC1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000261983823 396086564 /nfs/dbraw/zinc/08/65/64/396086564.db2.gz RTJGNODQMFFKLF-AWEZNQCLSA-N 2 2 310.442 0.141 10 0 DCAELP C[C@@H](C(=O)N1CCCCCC1)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000261983823 396086566 /nfs/dbraw/zinc/08/65/66/396086566.db2.gz RTJGNODQMFFKLF-AWEZNQCLSA-N 2 2 310.442 0.141 10 0 DCAELP C[C@H](CNC(=O)CCCC[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000170684552 396097264 /nfs/dbraw/zinc/09/72/64/396097264.db2.gz VCVCKJKJYGRRBX-OAHLLOKOSA-N 2 2 313.442 0.326 10 0 DCAELP C[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)CCN1c1nccn2cnnc12 ZINC000262123780 396101037 /nfs/dbraw/zinc/10/10/37/396101037.db2.gz XMNKZQCCXQAECF-CJNGLKHVSA-N 2 2 315.425 0.634 10 0 DCAELP C[C@@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)CCN1c1nccn2cnnc12 ZINC000262123780 396101039 /nfs/dbraw/zinc/10/10/39/396101039.db2.gz XMNKZQCCXQAECF-CJNGLKHVSA-N 2 2 315.425 0.634 10 0 DCAELP CC(C)NS(=O)(=O)[C@H]1CC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000162563433 396082477 /nfs/dbraw/zinc/08/24/77/396082477.db2.gz BEHFKRFVQGZVRS-KBPBESRZSA-N 2 2 303.472 0.873 10 0 DCAELP CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000162563433 396082478 /nfs/dbraw/zinc/08/24/78/396082478.db2.gz BEHFKRFVQGZVRS-KBPBESRZSA-N 2 2 303.472 0.873 10 0 DCAELP CC(C)NS(=O)(=O)[C@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000162563433 396082481 /nfs/dbraw/zinc/08/24/81/396082481.db2.gz BEHFKRFVQGZVRS-KBPBESRZSA-N 2 2 303.472 0.873 10 0 DCAELP CC(C)NS(=O)(=O)[C@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000162563433 396082483 /nfs/dbraw/zinc/08/24/83/396082483.db2.gz BEHFKRFVQGZVRS-KBPBESRZSA-N 2 2 303.472 0.873 10 0 DCAELP C[NH+](C)[C@@H]1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000179286185 396225258 /nfs/dbraw/zinc/22/52/58/396225258.db2.gz ODYFGJBINNSRFF-OAHLLOKOSA-N 3 2 311.474 0.358 10 0 DCAELP Cc1cc(N2CCC([NH2+]Cc3cnn(C)n3)CC2)nc(C)[nH+]1 ZINC000293589000 396619394 /nfs/dbraw/zinc/61/93/94/396619394.db2.gz OFLUNVGBMOSQDL-UHFFFAOYSA-N 2 2 301.398 0.981 10 0 DCAELP CCN1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1[nH+]ccn1C ZINC000328625051 396824282 /nfs/dbraw/zinc/82/42/82/396824282.db2.gz KIOXZUAKGGZHMT-AWEZNQCLSA-N 2 2 307.442 0.966 10 0 DCAELP CCN1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1c1[nH+]ccn1C ZINC000328625051 396824291 /nfs/dbraw/zinc/82/42/91/396824291.db2.gz KIOXZUAKGGZHMT-AWEZNQCLSA-N 2 2 307.442 0.966 10 0 DCAELP C[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000329079032 396837434 /nfs/dbraw/zinc/83/74/34/396837434.db2.gz BVKLZZBKUHSTQJ-JSGCOSHPSA-N 2 2 308.426 0.732 10 0 DCAELP C[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000329079032 396837441 /nfs/dbraw/zinc/83/74/41/396837441.db2.gz BVKLZZBKUHSTQJ-JSGCOSHPSA-N 2 2 308.426 0.732 10 0 DCAELP C[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C[C@@H]1CCCO1 ZINC000052101905 158016664 /nfs/dbraw/zinc/01/66/64/158016664.db2.gz DPCHAVPVMKHKMQ-AWEZNQCLSA-N 2 2 313.442 0.324 10 0 DCAELP C[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C[C@@H]1CCCO1 ZINC000052101905 158016669 /nfs/dbraw/zinc/01/66/69/158016669.db2.gz DPCHAVPVMKHKMQ-AWEZNQCLSA-N 2 2 313.442 0.324 10 0 DCAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCC(=O)N2CCOCC2)C1 ZINC000090003397 158099768 /nfs/dbraw/zinc/09/97/68/158099768.db2.gz RLYSIPYVLPKMRJ-HNNXBMFYSA-N 2 2 320.437 0.924 10 0 DCAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCC(=O)N2CCOCC2)C1 ZINC000090003397 158099770 /nfs/dbraw/zinc/09/97/70/158099770.db2.gz RLYSIPYVLPKMRJ-HNNXBMFYSA-N 2 2 320.437 0.924 10 0 DCAELP COc1c(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c(C)nn1C ZINC000119528974 158188777 /nfs/dbraw/zinc/18/87/77/158188777.db2.gz RKWCKCJUZFIMGN-UHFFFAOYSA-N 2 2 321.469 0.951 10 0 DCAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3cncnc3)CC2)C1 ZINC000121023468 158206555 /nfs/dbraw/zinc/20/65/55/158206555.db2.gz CGDKWDQYFIGDLB-KRWDZBQOSA-N 2 2 319.453 0.703 10 0 DCAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3cncnc3)CC2)C1 ZINC000121023468 158206558 /nfs/dbraw/zinc/20/65/58/158206558.db2.gz CGDKWDQYFIGDLB-KRWDZBQOSA-N 2 2 319.453 0.703 10 0 DCAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3ccnn3C)CC2)C1 ZINC000121059631 158207193 /nfs/dbraw/zinc/20/71/93/158207193.db2.gz LQPGUPXCOZFQLG-KRWDZBQOSA-N 2 2 321.469 0.647 10 0 DCAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3ccnn3C)CC2)C1 ZINC000121059631 158207196 /nfs/dbraw/zinc/20/71/96/158207196.db2.gz LQPGUPXCOZFQLG-KRWDZBQOSA-N 2 2 321.469 0.647 10 0 DCAELP CN(C)c1[nH+]cccc1CNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000121671394 158213116 /nfs/dbraw/zinc/21/31/16/158213116.db2.gz QRGFAAGDLBABFO-OAHLLOKOSA-N 2 2 309.414 0.259 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)CC1 ZINC000172045440 158390122 /nfs/dbraw/zinc/39/01/22/158390122.db2.gz WJLUZPUOEPYQJP-LSVZVQIISA-N 2 2 309.454 0.632 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)CC1 ZINC000172045440 158390124 /nfs/dbraw/zinc/39/01/24/158390124.db2.gz WJLUZPUOEPYQJP-LSVZVQIISA-N 2 2 309.454 0.632 10 0 DCAELP O=S1(=O)CCCN1CC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000328610748 159014395 /nfs/dbraw/zinc/01/43/95/159014395.db2.gz NYEWDMXSMFKVSL-AWEZNQCLSA-N 2 2 311.407 0.570 10 0 DCAELP O=S1(=O)CCCN1CC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000328610748 159014397 /nfs/dbraw/zinc/01/43/97/159014397.db2.gz NYEWDMXSMFKVSL-AWEZNQCLSA-N 2 2 311.407 0.570 10 0 DCAELP C[C@H](O)[C@H]1CCN(c2cc(N3CC[N@@H+]4CCC[C@@H]4C3)nc[nH+]2)C1 ZINC000408473108 160115795 /nfs/dbraw/zinc/11/57/95/160115795.db2.gz YWPMZYNRUIODEF-SOUVJXGZSA-N 2 2 317.437 0.968 10 0 DCAELP C[C@H](O)[C@H]1CCN(c2cc(N3CC[N@H+]4CCC[C@@H]4C3)nc[nH+]2)C1 ZINC000408473108 160115798 /nfs/dbraw/zinc/11/57/98/160115798.db2.gz YWPMZYNRUIODEF-SOUVJXGZSA-N 2 2 317.437 0.968 10 0 DCAELP CO[C@H]1C[C@@H](C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)[N@H+](C)C1 ZINC000332082312 415232294 /nfs/dbraw/zinc/23/22/94/415232294.db2.gz APYPNFICPDBFEQ-GJZGRUSLSA-N 2 2 320.437 0.920 10 0 DCAELP CO[C@H]1C[C@@H](C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)[N@@H+](C)C1 ZINC000332082312 415232301 /nfs/dbraw/zinc/23/23/01/415232301.db2.gz APYPNFICPDBFEQ-GJZGRUSLSA-N 2 2 320.437 0.920 10 0 DCAELP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106431966 415643873 /nfs/dbraw/zinc/64/38/73/415643873.db2.gz IELFAVUCLWLYQI-DOTOQJQBSA-N 2 2 319.449 0.996 10 0 DCAELP [NH3+][C@@H]1CCC[C@@H]2CN(c3cc(N4CCOCC4)nc[nH+]3)C[C@H]21 ZINC000333621021 415699570 /nfs/dbraw/zinc/69/95/70/415699570.db2.gz ZLKVDRZARIMXHK-MGPQQGTHSA-N 2 2 303.410 0.877 10 0 DCAELP [NH3+][C@@H]1CCC[C@@H]2CN(c3cc(N4CCOCC4)[nH+]cn3)C[C@H]21 ZINC000333621021 415699576 /nfs/dbraw/zinc/69/95/76/415699576.db2.gz ZLKVDRZARIMXHK-MGPQQGTHSA-N 2 2 303.410 0.877 10 0 DCAELP C[N@@H+]1CCO[C@H]2CCN(C(=O)NCC3([NH3+])CCCCC3)C[C@@H]21 ZINC000333884816 415759235 /nfs/dbraw/zinc/75/92/35/415759235.db2.gz WXTZODXMGLGTGS-KBPBESRZSA-N 2 2 310.442 0.763 10 0 DCAELP C[N@H+]1CCO[C@H]2CCN(C(=O)NCC3([NH3+])CCCCC3)C[C@@H]21 ZINC000333884816 415759244 /nfs/dbraw/zinc/75/92/44/415759244.db2.gz WXTZODXMGLGTGS-KBPBESRZSA-N 2 2 310.442 0.763 10 0 DCAELP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000120908735 415785037 /nfs/dbraw/zinc/78/50/37/415785037.db2.gz TUTYYTGEQKKLJA-CQSZACIVSA-N 2 2 309.414 0.554 10 0 DCAELP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000120908735 415785045 /nfs/dbraw/zinc/78/50/45/415785045.db2.gz TUTYYTGEQKKLJA-CQSZACIVSA-N 2 2 309.414 0.554 10 0 DCAELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000173826305 416066525 /nfs/dbraw/zinc/06/65/25/416066525.db2.gz OXDNMKBHSCZWJW-BZUAXINKSA-N 2 2 324.469 0.975 10 0 DCAELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000173826305 416066528 /nfs/dbraw/zinc/06/65/28/416066528.db2.gz OXDNMKBHSCZWJW-BZUAXINKSA-N 2 2 324.469 0.975 10 0 DCAELP CN(C)c1cc[nH+]cc1C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000183563770 416245533 /nfs/dbraw/zinc/24/55/33/416245533.db2.gz ZGOAXBJZWLBBCC-UHFFFAOYSA-N 2 2 306.410 0.676 10 0 DCAELP Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)C[NH+](C)C ZINC000434969115 416507709 /nfs/dbraw/zinc/50/77/09/416507709.db2.gz PLYLBRDPGDKDBR-STQMWFEESA-N 2 2 312.389 0.882 10 0 DCAELP Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)C[NH+](C)C ZINC000434969115 416507712 /nfs/dbraw/zinc/50/77/12/416507712.db2.gz PLYLBRDPGDKDBR-STQMWFEESA-N 2 2 312.389 0.882 10 0 DCAELP C[N@H+](C[C@@H]1CNC(=O)O1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000368751356 416689596 /nfs/dbraw/zinc/68/95/96/416689596.db2.gz SJTPXKDYSFUSPJ-DOTOQJQBSA-N 2 2 319.405 0.664 10 0 DCAELP C[N@@H+](C[C@@H]1CNC(=O)O1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000368751356 416689600 /nfs/dbraw/zinc/68/96/00/416689600.db2.gz SJTPXKDYSFUSPJ-DOTOQJQBSA-N 2 2 319.405 0.664 10 0 DCAELP C[NH+](C[C@@H]1CNC(=O)O1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000368751356 416689604 /nfs/dbraw/zinc/68/96/04/416689604.db2.gz SJTPXKDYSFUSPJ-DOTOQJQBSA-N 2 2 319.405 0.664 10 0 DCAELP C[NH+](C[C@@H]1CNC(=O)O1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000368751356 416689609 /nfs/dbraw/zinc/68/96/09/416689609.db2.gz SJTPXKDYSFUSPJ-DOTOQJQBSA-N 2 2 319.405 0.664 10 0 DCAELP c1cc(NCC2([NH+]3CCOCC3)CC2)nc(N2CCOCC2)[nH+]1 ZINC000433812289 417289426 /nfs/dbraw/zinc/28/94/26/417289426.db2.gz ALIYDDZGMQLWKO-UHFFFAOYSA-N 2 2 319.409 0.590 10 0 DCAELP CC1=CC[N@H+](CCNC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000546566502 288018854 /nfs/dbraw/zinc/01/88/54/288018854.db2.gz MMNVMTPTLYNUKP-INIZCTEOSA-N 2 2 323.485 0.574 10 0 DCAELP CC1=CC[N@@H+](CCNC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000546566502 288018856 /nfs/dbraw/zinc/01/88/56/288018856.db2.gz MMNVMTPTLYNUKP-INIZCTEOSA-N 2 2 323.485 0.574 10 0 DCAELP C[N@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000247692970 522936761 /nfs/dbraw/zinc/93/67/61/522936761.db2.gz WEVVHLBGKAWGLF-HUUCEWRRSA-N 2 2 324.469 0.517 10 0 DCAELP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000247692970 522936768 /nfs/dbraw/zinc/93/67/68/522936768.db2.gz WEVVHLBGKAWGLF-HUUCEWRRSA-N 2 2 324.469 0.517 10 0 DCAELP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000247692970 522936778 /nfs/dbraw/zinc/93/67/78/522936778.db2.gz WEVVHLBGKAWGLF-HUUCEWRRSA-N 2 2 324.469 0.517 10 0 DCAELP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000247692970 522936786 /nfs/dbraw/zinc/93/67/86/522936786.db2.gz WEVVHLBGKAWGLF-HUUCEWRRSA-N 2 2 324.469 0.517 10 0 DCAELP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000248974709 524849360 /nfs/dbraw/zinc/84/93/60/524849360.db2.gz DRWAOXMAQVQBGL-OFQRWUPVSA-N 2 2 305.422 0.848 10 0 DCAELP COC(=O)[C@@H]1CC(=O)N(C[NH+]2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000181375130 665561847 /nfs/dbraw/zinc/56/18/47/665561847.db2.gz UOJNZBIXANVWSD-OAHLLOKOSA-N 2 2 323.437 0.773 10 0 DCAELP CC[C@@H](O)C[NH+]1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC000069969424 665717001 /nfs/dbraw/zinc/71/70/01/665717001.db2.gz AEGXDTWACWIXMJ-OAHLLOKOSA-N 2 2 308.426 0.887 10 0 DCAELP CC(=O)N[C@H]1CCC[NH+](CCC[N@H+]2CCC[C@H](NC(C)=O)C2)C1 ZINC000157593212 291228970 /nfs/dbraw/zinc/22/89/70/291228970.db2.gz BOVXNSRUAFPPHY-IRXDYDNUSA-N 2 2 324.469 0.578 10 0 DCAELP CC(=O)N[C@H]1CCC[NH+](CCC[N@@H+]2CCC[C@H](NC(C)=O)C2)C1 ZINC000157593212 291228973 /nfs/dbraw/zinc/22/89/73/291228973.db2.gz BOVXNSRUAFPPHY-IRXDYDNUSA-N 2 2 324.469 0.578 10 0 DCAELP C[C@]([NH3+])(C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC000237659032 291333773 /nfs/dbraw/zinc/33/37/73/291333773.db2.gz RLMXRFMCLOOUBJ-NVXWUHKLSA-N 2 2 303.406 0.794 10 0 DCAELP CCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093170425 193210471 /nfs/dbraw/zinc/21/04/71/193210471.db2.gz XJTLNLPXNDLKEZ-CQSZACIVSA-N 2 2 310.442 0.141 10 0 DCAELP CCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093170425 193210473 /nfs/dbraw/zinc/21/04/73/193210473.db2.gz XJTLNLPXNDLKEZ-CQSZACIVSA-N 2 2 310.442 0.141 10 0 DCAELP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@@H](C)[NH+]2CCOCC2)C1 ZINC000175008331 284828127 /nfs/dbraw/zinc/82/81/27/284828127.db2.gz AQOOXGABKRXORB-CABCVRRESA-N 2 2 312.458 0.833 10 0 DCAELP O=S(=O)(CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)CC1CC1 ZINC000261964354 285036813 /nfs/dbraw/zinc/03/68/13/285036813.db2.gz PVRNENSPJSUIBL-RRFJBIMHSA-N 2 2 316.467 0.558 10 0 DCAELP CCN(CC)C(=O)C[NH+]1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000163954574 132128821 /nfs/dbraw/zinc/12/88/21/132128821.db2.gz ZAKHRUOCUMIRMU-GJZGRUSLSA-N 2 2 324.469 0.517 10 0 DCAELP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC000246489340 395951547 /nfs/dbraw/zinc/95/15/47/395951547.db2.gz RMWIJGKMOJURNA-ILXRZTDVSA-N 2 2 312.458 0.689 10 0 DCAELP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC000246489340 395951550 /nfs/dbraw/zinc/95/15/50/395951550.db2.gz RMWIJGKMOJURNA-ILXRZTDVSA-N 2 2 312.458 0.689 10 0 DCAELP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC000246489340 395951553 /nfs/dbraw/zinc/95/15/53/395951553.db2.gz RMWIJGKMOJURNA-ILXRZTDVSA-N 2 2 312.458 0.689 10 0 DCAELP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC000246489340 395951555 /nfs/dbraw/zinc/95/15/55/395951555.db2.gz RMWIJGKMOJURNA-ILXRZTDVSA-N 2 2 312.458 0.689 10 0 DCAELP O=C1CCCN1C[C@H](O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000247410625 395973306 /nfs/dbraw/zinc/97/33/06/395973306.db2.gz SQOAPAKRDRLCSW-HUUCEWRRSA-N 2 2 318.421 0.799 10 0 DCAELP O=C1CCCN1C[C@H](O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000247410625 395973308 /nfs/dbraw/zinc/97/33/08/395973308.db2.gz SQOAPAKRDRLCSW-HUUCEWRRSA-N 2 2 318.421 0.799 10 0 DCAELP C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000247455937 395974350 /nfs/dbraw/zinc/97/43/50/395974350.db2.gz ZXCFBNVCNPIYOB-CVEARBPZSA-N 2 2 324.469 0.977 10 0 DCAELP C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000247455937 395974352 /nfs/dbraw/zinc/97/43/52/395974352.db2.gz ZXCFBNVCNPIYOB-CVEARBPZSA-N 2 2 324.469 0.977 10 0 DCAELP COc1cc[nH+]c(CN2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)c1OC ZINC000249041895 396002203 /nfs/dbraw/zinc/00/22/03/396002203.db2.gz GWBMOGNUBMGYKB-STQMWFEESA-N 2 2 309.410 0.986 10 0 DCAELP COc1cc[nH+]c(CN2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c1OC ZINC000249041895 396002208 /nfs/dbraw/zinc/00/22/08/396002208.db2.gz GWBMOGNUBMGYKB-STQMWFEESA-N 2 2 309.410 0.986 10 0 DCAELP C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000159148711 396065839 /nfs/dbraw/zinc/06/58/39/396065839.db2.gz ZXCFBNVCNPIYOB-HOTGVXAUSA-N 2 2 324.469 0.977 10 0 DCAELP C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000159148711 396065844 /nfs/dbraw/zinc/06/58/44/396065844.db2.gz ZXCFBNVCNPIYOB-HOTGVXAUSA-N 2 2 324.469 0.977 10 0 DCAELP C[NH+](C)[C@@H]1CCN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)C1 ZINC000277464797 396069585 /nfs/dbraw/zinc/06/95/85/396069585.db2.gz OKVNKIMKYFFUHW-KGLIPLIRSA-N 2 2 305.426 0.968 10 0 DCAELP COCC[N@H+](C)CCNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000171196049 396109481 /nfs/dbraw/zinc/10/94/81/396109481.db2.gz ICQLLWVMSGKTDZ-UHFFFAOYSA-N 2 2 309.414 0.525 10 0 DCAELP COCC[N@@H+](C)CCNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000171196049 396109484 /nfs/dbraw/zinc/10/94/84/396109484.db2.gz ICQLLWVMSGKTDZ-UHFFFAOYSA-N 2 2 309.414 0.525 10 0 DCAELP O=C(CCNC1=[NH+]CCCN1)N1CCN(c2cccc[nH+]2)CC1 ZINC000261867897 396074137 /nfs/dbraw/zinc/07/41/37/396074137.db2.gz OEBVKMCXHBGWGM-UHFFFAOYSA-N 2 2 316.409 0.059 10 0 DCAELP Oc1ccc(Br)c(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000263158288 396203460 /nfs/dbraw/zinc/20/34/60/396203460.db2.gz DPNVXQWCVXGCHR-CABZTGNLSA-N 2 2 301.184 0.825 10 0 DCAELP COc1ccnc(N2CC[NH+](CCCn3cc[nH+]c3)CC2)n1 ZINC000183174740 396263969 /nfs/dbraw/zinc/26/39/69/396263969.db2.gz VXMISLTYOKGZMM-UHFFFAOYSA-N 2 2 302.382 0.894 10 0 DCAELP CN(C)c1noc(C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)n1 ZINC000192765196 396437175 /nfs/dbraw/zinc/43/71/75/396437175.db2.gz IHTFDQFTEBKPEL-CQSZACIVSA-N 2 2 322.457 0.738 10 0 DCAELP CN(C)c1noc(C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)n1 ZINC000192765196 396437179 /nfs/dbraw/zinc/43/71/79/396437179.db2.gz IHTFDQFTEBKPEL-CQSZACIVSA-N 2 2 322.457 0.738 10 0 DCAELP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000192788185 396437222 /nfs/dbraw/zinc/43/72/22/396437222.db2.gz IKMVUFFEPZTAJI-UONOGXRCSA-N 2 2 300.447 0.737 10 0 DCAELP CC(=O)N1CCCC[C@@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617767244 396822304 /nfs/dbraw/zinc/82/23/04/396822304.db2.gz MBTOORALDAUPRL-OAHLLOKOSA-N 2 2 312.458 0.387 10 0 DCAELP CC(=O)N1CCCC[C@@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617767244 396822312 /nfs/dbraw/zinc/82/23/12/396822312.db2.gz MBTOORALDAUPRL-OAHLLOKOSA-N 2 2 312.458 0.387 10 0 DCAELP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328640900 396829331 /nfs/dbraw/zinc/82/93/31/396829331.db2.gz QIDQCOSLZNDZEN-AWEZNQCLSA-N 3 2 305.426 0.151 10 0 DCAELP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328640900 396829339 /nfs/dbraw/zinc/82/93/39/396829339.db2.gz QIDQCOSLZNDZEN-AWEZNQCLSA-N 3 2 305.426 0.151 10 0 DCAELP C[C@@H]1CN(C(=O)[C@H]2COCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000396398840 397310975 /nfs/dbraw/zinc/31/09/75/397310975.db2.gz WWAXTXRKCAUYCW-GDBMZVCRSA-N 2 2 303.406 0.708 10 0 DCAELP C[C@@H]1CN(C(=O)[C@H]2COCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000396398840 397310977 /nfs/dbraw/zinc/31/09/77/397310977.db2.gz WWAXTXRKCAUYCW-GDBMZVCRSA-N 2 2 303.406 0.708 10 0 DCAELP C[C@@H](C(=O)N1CC[NH2+][C@@H](c2ccncc2)C1)N1CC[NH+](C)CC1 ZINC000407965576 397339814 /nfs/dbraw/zinc/33/98/14/397339814.db2.gz LTIACEWOMFRTJB-GOEBONIOSA-N 2 2 317.437 0.190 10 0 DCAELP C[C@H]1C[N@@H+](C2CCN(C(=O)NCCn3cc[nH+]c3)CC2)CCO1 ZINC000079573616 158079106 /nfs/dbraw/zinc/07/91/06/158079106.db2.gz ROQPUHCAQNHDOM-AWEZNQCLSA-N 2 2 321.425 0.778 10 0 DCAELP C[C@H]1C[N@H+](C2CCN(C(=O)NCCn3cc[nH+]c3)CC2)CCO1 ZINC000079573616 158079108 /nfs/dbraw/zinc/07/91/08/158079108.db2.gz ROQPUHCAQNHDOM-AWEZNQCLSA-N 2 2 321.425 0.778 10 0 DCAELP CC[NH+](CC)CCCNC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000125520642 158257010 /nfs/dbraw/zinc/25/70/10/158257010.db2.gz GGOAINZTPTXWDN-AWEZNQCLSA-N 2 2 300.447 0.738 10 0 DCAELP O=C(N1CC[NH+](C[C@@H](O)c2ccccc2)CC1)[C@@]1(F)CC[NH2+]C1 ZINC000167975372 158371090 /nfs/dbraw/zinc/37/10/90/158371090.db2.gz XAXNQODQLGBEDQ-NVXWUHKLSA-N 2 2 321.396 0.566 10 0 DCAELP CC1(C)COCC[N@@H+]1CCNC(=O)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000171686988 158385023 /nfs/dbraw/zinc/38/50/23/158385023.db2.gz UXIJHCUAXCUIRS-OAHLLOKOSA-N 2 2 324.469 0.977 10 0 DCAELP CC1(C)COCC[N@H+]1CCNC(=O)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000171686988 158385026 /nfs/dbraw/zinc/38/50/26/158385026.db2.gz UXIJHCUAXCUIRS-OAHLLOKOSA-N 2 2 324.469 0.977 10 0 DCAELP CC1(C)COCC[NH+]1CCNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000171686988 158385027 /nfs/dbraw/zinc/38/50/27/158385027.db2.gz UXIJHCUAXCUIRS-OAHLLOKOSA-N 2 2 324.469 0.977 10 0 DCAELP CC1(C)COCC[NH+]1CCNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000171686988 158385030 /nfs/dbraw/zinc/38/50/30/158385030.db2.gz UXIJHCUAXCUIRS-OAHLLOKOSA-N 2 2 324.469 0.977 10 0 DCAELP CC1(C)C[N@H+](CCNC(=O)N2CC[NH+]3CCCC[C@@H]3C2)CCO1 ZINC000171675710 158385485 /nfs/dbraw/zinc/38/54/85/158385485.db2.gz UGPJWSGNPXGALL-OAHLLOKOSA-N 2 2 324.469 0.977 10 0 DCAELP CC1(C)C[N@@H+](CCNC(=O)N2CC[NH+]3CCCC[C@@H]3C2)CCO1 ZINC000171675710 158385486 /nfs/dbraw/zinc/38/54/86/158385486.db2.gz UGPJWSGNPXGALL-OAHLLOKOSA-N 2 2 324.469 0.977 10 0 DCAELP CC1(C)C[NH+](CCNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CCO1 ZINC000171675710 158385488 /nfs/dbraw/zinc/38/54/88/158385488.db2.gz UGPJWSGNPXGALL-OAHLLOKOSA-N 2 2 324.469 0.977 10 0 DCAELP CC1(C)C[NH+](CCNC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CCO1 ZINC000171675710 158385489 /nfs/dbraw/zinc/38/54/89/158385489.db2.gz UGPJWSGNPXGALL-OAHLLOKOSA-N 2 2 324.469 0.977 10 0 DCAELP C[C@H](C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1)n1cncn1 ZINC000329083536 159059776 /nfs/dbraw/zinc/05/97/76/159059776.db2.gz FFHPSWCTADAZJW-ZIAGYGMSSA-N 2 2 320.441 0.466 10 0 DCAELP C[C@H](C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1)n1cncn1 ZINC000329083536 159059778 /nfs/dbraw/zinc/05/97/78/159059778.db2.gz FFHPSWCTADAZJW-ZIAGYGMSSA-N 2 2 320.441 0.466 10 0 DCAELP CO[C@@H]1COC[C@H]1n1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)nn1 ZINC000329521840 159098761 /nfs/dbraw/zinc/09/87/61/159098761.db2.gz PBZXDHLSZOWTOH-OVJXPFRRSA-N 2 2 323.441 0.683 10 0 DCAELP CO[C@@H]1COC[C@H]1n1cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)nn1 ZINC000329521840 159098765 /nfs/dbraw/zinc/09/87/65/159098765.db2.gz PBZXDHLSZOWTOH-OVJXPFRRSA-N 2 2 323.441 0.683 10 0 DCAELP CC[N@@H+]1CC[C@H]([NH2+]Cc2cn([C@@H]3COC[C@H]3OC)nn2)[C@H](C)C1 ZINC000329719717 159114001 /nfs/dbraw/zinc/11/40/01/159114001.db2.gz AFRQFMAVLDGVKI-SLBVQIDZSA-N 2 2 323.441 0.684 10 0 DCAELP CC[N@H+]1CC[C@H]([NH2+]Cc2cn([C@@H]3COC[C@H]3OC)nn2)[C@H](C)C1 ZINC000329719717 159114004 /nfs/dbraw/zinc/11/40/04/159114004.db2.gz AFRQFMAVLDGVKI-SLBVQIDZSA-N 2 2 323.441 0.684 10 0 DCAELP C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCC([NH+](C)C)CC1 ZINC000408113956 160039002 /nfs/dbraw/zinc/03/90/02/160039002.db2.gz ZLUCBIZMQSYVHD-QWHCGFSZSA-N 2 2 310.442 0.125 10 0 DCAELP C[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)[C@@H](C)[NH+]1CCOCC1 ZINC000183544314 287005167 /nfs/dbraw/zinc/00/51/67/287005167.db2.gz CQRLDFRLSFPNCQ-CHWSQXEVSA-N 2 2 306.410 0.987 10 0 DCAELP CC(C)(CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)[NH+]1CCOCC1 ZINC000105079169 415632525 /nfs/dbraw/zinc/63/25/25/415632525.db2.gz ZAVMXDUZSPQSFE-HNNXBMFYSA-N 2 2 324.469 0.977 10 0 DCAELP CC(C)(CNC(=O)N1CC[N@H+]2CCCC[C@H]2C1)[NH+]1CCOCC1 ZINC000105079169 415632531 /nfs/dbraw/zinc/63/25/31/415632531.db2.gz ZAVMXDUZSPQSFE-HNNXBMFYSA-N 2 2 324.469 0.977 10 0 DCAELP C[C@@H](CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000115796676 415729367 /nfs/dbraw/zinc/72/93/67/415729367.db2.gz CCEXGGBXRNPCPB-LSDHHAIUSA-N 2 2 312.458 0.690 10 0 DCAELP CC(C)[NH+]1CCC([NH2+][C@@H](C)C(=O)N(C)CC(=O)NC2CC2)CC1 ZINC000173619041 416062692 /nfs/dbraw/zinc/06/26/92/416062692.db2.gz CIDASNWMIIUATN-ZDUSSCGKSA-N 2 2 324.469 0.574 10 0 DCAELP O=C(NCCCC[NH+]1CCCC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173785343 416066496 /nfs/dbraw/zinc/06/64/96/416066496.db2.gz CLFNDHAINUEUBN-INIZCTEOSA-N 2 2 324.469 0.979 10 0 DCAELP COC[C@@H](O)C[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000328623892 416123260 /nfs/dbraw/zinc/12/32/60/416123260.db2.gz CCBTVWYSBVVTSV-CWRNSKLLSA-N 2 2 310.442 0.742 10 0 DCAELP COC[C@@H](O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000328623892 416123261 /nfs/dbraw/zinc/12/32/61/416123261.db2.gz CCBTVWYSBVVTSV-CWRNSKLLSA-N 2 2 310.442 0.742 10 0 DCAELP COC[C@@H](O)C[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000328623892 416123264 /nfs/dbraw/zinc/12/32/64/416123264.db2.gz CCBTVWYSBVVTSV-CWRNSKLLSA-N 2 2 310.442 0.742 10 0 DCAELP COC[C@@H](O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000328623892 416123267 /nfs/dbraw/zinc/12/32/67/416123267.db2.gz CCBTVWYSBVVTSV-CWRNSKLLSA-N 2 2 310.442 0.742 10 0 DCAELP CC1=CC[N@H+](CCNC(=O)N(C)CC[NH+]2CCOCC2)CC1 ZINC000358666205 416264445 /nfs/dbraw/zinc/26/44/45/416264445.db2.gz NBOIYUKTTAXDJB-UHFFFAOYSA-N 2 2 310.442 0.612 10 0 DCAELP CC1=CC[N@@H+](CCNC(=O)N(C)CC[NH+]2CCOCC2)CC1 ZINC000358666205 416264449 /nfs/dbraw/zinc/26/44/49/416264449.db2.gz NBOIYUKTTAXDJB-UHFFFAOYSA-N 2 2 310.442 0.612 10 0 DCAELP C[C@H](NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000247403107 416332827 /nfs/dbraw/zinc/33/28/27/416332827.db2.gz PNVXWSKQYXXBBJ-VGWMRTNUSA-N 2 2 324.469 0.974 10 0 DCAELP C[C@H](NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000247403107 416332828 /nfs/dbraw/zinc/33/28/28/416332828.db2.gz PNVXWSKQYXXBBJ-VGWMRTNUSA-N 2 2 324.469 0.974 10 0 DCAELP CC[C@@H]1CCCCN1C(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000261985357 416335884 /nfs/dbraw/zinc/33/58/84/416335884.db2.gz SAFPFBAFNXQLMX-CQSZACIVSA-N 2 2 310.442 0.141 10 0 DCAELP CC[C@@H]1CCCCN1C(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000261985357 416335885 /nfs/dbraw/zinc/33/58/85/416335885.db2.gz SAFPFBAFNXQLMX-CQSZACIVSA-N 2 2 310.442 0.141 10 0 DCAELP [NH3+]C1(C(=O)N2CC[NH+](Cc3ccncc3)CC2)CCOCC1 ZINC000262062510 416336238 /nfs/dbraw/zinc/33/62/38/416336238.db2.gz FDNTYGPOCWARDO-UHFFFAOYSA-N 2 2 304.394 0.234 10 0 DCAELP CCOCC[N@@H+]1CCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)C[C@H]1CC ZINC000262359256 416336827 /nfs/dbraw/zinc/33/68/27/416336827.db2.gz VARFPMLJMVDBJN-KFWWJZLASA-N 2 2 313.442 0.323 10 0 DCAELP CCOCC[N@H+]1CCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)C[C@H]1CC ZINC000262359256 416336828 /nfs/dbraw/zinc/33/68/28/416336828.db2.gz VARFPMLJMVDBJN-KFWWJZLASA-N 2 2 313.442 0.323 10 0 DCAELP CC(=O)N1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369258255 416737108 /nfs/dbraw/zinc/73/71/08/416737108.db2.gz VFIOGDLHBILJDB-HOCLYGCPSA-N 2 2 322.453 0.282 10 0 DCAELP CC(=O)N1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369258255 416737112 /nfs/dbraw/zinc/73/71/12/416737112.db2.gz VFIOGDLHBILJDB-HOCLYGCPSA-N 2 2 322.453 0.282 10 0 DCAELP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CC[NH+](C)CC2)CC1 ZINC000459939553 272021575 /nfs/dbraw/zinc/02/15/75/272021575.db2.gz ATBVZKXABPJIKO-UHFFFAOYSA-N 2 2 324.469 0.341 10 0 DCAELP CCN(C)c1ccc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cn1 ZINC000261925375 276078655 /nfs/dbraw/zinc/07/86/55/276078655.db2.gz KXWGHQVKXQVYGB-UHFFFAOYSA-N 2 2 305.426 0.401 10 0 DCAELP CCN(C)c1ccc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cn1 ZINC000261925375 276078656 /nfs/dbraw/zinc/07/86/56/276078656.db2.gz KXWGHQVKXQVYGB-UHFFFAOYSA-N 2 2 305.426 0.401 10 0 DCAELP CC[N@H+](CCNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)C1CC1 ZINC000173823903 276346410 /nfs/dbraw/zinc/34/64/10/276346410.db2.gz DLAINUUVALRDTQ-HNNXBMFYSA-N 2 2 310.442 0.587 10 0 DCAELP CC[N@@H+](CCNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)C1CC1 ZINC000173823903 276346411 /nfs/dbraw/zinc/34/64/11/276346411.db2.gz DLAINUUVALRDTQ-HNNXBMFYSA-N 2 2 310.442 0.587 10 0 DCAELP C[NH+](C)CCN1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000364998858 276789740 /nfs/dbraw/zinc/78/97/40/276789740.db2.gz UWTXNUGOWHLFKX-CQSZACIVSA-N 2 2 305.426 0.151 10 0 DCAELP Cc1cccc([C@@H](CNC(=O)C2C[NH2+]C2)[NH+]2CCOCC2)c1 ZINC000263290570 281252460 /nfs/dbraw/zinc/25/24/60/281252460.db2.gz LJXQITHDSXNATB-MRXNPFEDSA-N 2 2 303.406 0.704 10 0 DCAELP CSCC[C@H]([NH3+])C(=O)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000157360173 525579110 /nfs/dbraw/zinc/57/91/10/525579110.db2.gz SXBYQEHGLMZGED-MNOVXSKESA-N 2 2 316.496 0.702 10 0 DCAELP OC[C@H]1CCCN1c1cc(NCC[N@@H+]2CCCOCC2)nc[nH+]1 ZINC000188491510 527617376 /nfs/dbraw/zinc/61/73/76/527617376.db2.gz SUGZXXFIXHHFGF-CQSZACIVSA-N 2 2 321.425 0.572 10 0 DCAELP OC[C@H]1CCCN1c1cc(NCC[N@H+]2CCCOCC2)nc[nH+]1 ZINC000188491510 527617379 /nfs/dbraw/zinc/61/73/79/527617379.db2.gz SUGZXXFIXHHFGF-CQSZACIVSA-N 2 2 321.425 0.572 10 0 DCAELP CN(C)c1[nH+]cccc1CNC(=O)NCC[N@@H+]1CCCOCC1 ZINC000186914355 545914846 /nfs/dbraw/zinc/91/48/46/545914846.db2.gz YVOYJBOZKIGLRF-UHFFFAOYSA-N 2 2 321.425 0.669 10 0 DCAELP CN(C)c1[nH+]cccc1CNC(=O)NCC[N@H+]1CCCOCC1 ZINC000186914355 545914849 /nfs/dbraw/zinc/91/48/49/545914849.db2.gz YVOYJBOZKIGLRF-UHFFFAOYSA-N 2 2 321.425 0.669 10 0 DCAELP C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000264251073 186327558 /nfs/dbraw/zinc/32/75/58/186327558.db2.gz BMIQIYHJOYKMIO-STQMWFEESA-N 2 2 307.398 0.629 10 0 DCAELP C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000264251073 186327560 /nfs/dbraw/zinc/32/75/60/186327560.db2.gz BMIQIYHJOYKMIO-STQMWFEESA-N 2 2 307.398 0.629 10 0 DCAELP C[N@@H+]1CC2(C[C@@H]1C(=O)NCCCn1cc[nH+]c1)CC[NH2+]CC2 ZINC000072424815 191159559 /nfs/dbraw/zinc/15/95/59/191159559.db2.gz ISKRRNZOCAMKAH-CQSZACIVSA-N 3 2 305.426 0.463 10 0 DCAELP C[N@H+]1CC2(C[C@@H]1C(=O)NCCCn1cc[nH+]c1)CC[NH2+]CC2 ZINC000072424815 191159560 /nfs/dbraw/zinc/15/95/60/191159560.db2.gz ISKRRNZOCAMKAH-CQSZACIVSA-N 3 2 305.426 0.463 10 0 DCAELP C[NH+](C)[C@@H]1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000173977613 198275017 /nfs/dbraw/zinc/27/50/17/198275017.db2.gz VHACSYKJLVABQX-OAHLLOKOSA-N 2 2 317.437 0.366 10 0 DCAELP Cc1ccc(NCCCNC(=O)NC[C@H]2C[N@H+](C)CCO2)[nH+]c1 ZINC000104797627 194041850 /nfs/dbraw/zinc/04/18/50/194041850.db2.gz VMHNEUZNBLXGSL-AWEZNQCLSA-N 2 2 321.425 0.822 10 0 DCAELP Cc1ccc(NCCCNC(=O)NC[C@H]2C[N@@H+](C)CCO2)[nH+]c1 ZINC000104797627 194041853 /nfs/dbraw/zinc/04/18/53/194041853.db2.gz VMHNEUZNBLXGSL-AWEZNQCLSA-N 2 2 321.425 0.822 10 0 DCAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2nc(N)nc(N)n2)C1 ZINC000105896762 194162333 /nfs/dbraw/zinc/16/23/33/194162333.db2.gz ZJOKIQBYLTUQEO-SNVBAGLBSA-N 2 2 302.386 0.632 10 0 DCAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2nc(N)nc(N)n2)C1 ZINC000105896762 194162334 /nfs/dbraw/zinc/16/23/34/194162334.db2.gz ZJOKIQBYLTUQEO-SNVBAGLBSA-N 2 2 302.386 0.632 10 0 DCAELP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1 ZINC000106425128 194211451 /nfs/dbraw/zinc/21/14/51/194211451.db2.gz OJMDMNCTEGOIBY-MRXNPFEDSA-N 2 2 305.422 0.608 10 0 DCAELP C[NH+](C)CCNC(=O)[C@@H]1C[C@H]2CN(Cc3ccco3)C[C@H]2[N@@H+]1C ZINC000248037410 257111072 /nfs/dbraw/zinc/11/10/72/257111072.db2.gz UXYKIPCDHQJOIJ-CWRNSKLLSA-N 2 2 320.437 0.462 10 0 DCAELP C[NH+](C)CCNC(=O)[C@@H]1C[C@H]2CN(Cc3ccco3)C[C@H]2[N@H+]1C ZINC000248037410 257111073 /nfs/dbraw/zinc/11/10/73/257111073.db2.gz UXYKIPCDHQJOIJ-CWRNSKLLSA-N 2 2 320.437 0.462 10 0 DCAELP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000119896573 132137667 /nfs/dbraw/zinc/13/76/67/132137667.db2.gz ZWLOLUHAPIMQBL-UONOGXRCSA-N 2 2 306.410 0.532 10 0 DCAELP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000119896573 132137668 /nfs/dbraw/zinc/13/76/68/132137668.db2.gz ZWLOLUHAPIMQBL-UONOGXRCSA-N 2 2 306.410 0.532 10 0 DCAELP Cc1[nH+]ccn1-c1cncc(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000092922241 395734367 /nfs/dbraw/zinc/73/43/67/395734367.db2.gz BRSITHQIBFUYPX-QWHCGFSZSA-N 2 2 300.366 0.490 10 0 DCAELP Cc1[nH+]ccn1-c1cncc(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC000092922241 395734369 /nfs/dbraw/zinc/73/43/69/395734369.db2.gz BRSITHQIBFUYPX-QWHCGFSZSA-N 2 2 300.366 0.490 10 0 DCAELP C[C@H](CNC(=O)N1CC[NH+](CC2CC2)CC1)[NH+]1CCOCC1 ZINC000108466607 395789826 /nfs/dbraw/zinc/78/98/26/395789826.db2.gz SYXGBRZPPOHVSK-CQSZACIVSA-N 2 2 310.442 0.444 10 0 DCAELP C[N@H+]1C[C@@H]2C[NH+](CC(=O)N3CCO[C@@H]4CCCC[C@H]43)C[C@@H]2C1 ZINC000193616941 395774792 /nfs/dbraw/zinc/77/47/92/395774792.db2.gz JQDYYHFUBXLQNJ-QKPAOTATSA-N 2 2 307.438 0.650 10 0 DCAELP C[N@@H+]1C[C@@H]2C[NH+](CC(=O)N3CCO[C@@H]4CCCC[C@H]43)C[C@@H]2C1 ZINC000193616941 395774794 /nfs/dbraw/zinc/77/47/94/395774794.db2.gz JQDYYHFUBXLQNJ-QKPAOTATSA-N 2 2 307.438 0.650 10 0 DCAELP C[NH+]1C[C@@H]2C[N@@H+](CC(=O)N3CCO[C@@H]4CCCC[C@H]43)C[C@@H]2C1 ZINC000193616941 395774798 /nfs/dbraw/zinc/77/47/98/395774798.db2.gz JQDYYHFUBXLQNJ-QKPAOTATSA-N 2 2 307.438 0.650 10 0 DCAELP C[NH+]1C[C@@H]2C[N@H+](CC(=O)N3CCO[C@@H]4CCCC[C@H]43)C[C@@H]2C1 ZINC000193616941 395774801 /nfs/dbraw/zinc/77/48/01/395774801.db2.gz JQDYYHFUBXLQNJ-QKPAOTATSA-N 2 2 307.438 0.650 10 0 DCAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000247061948 395966069 /nfs/dbraw/zinc/96/60/69/395966069.db2.gz FZEQODPDWBCREW-IAGOWNOFSA-N 2 2 311.470 0.892 10 0 DCAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000247061948 395966070 /nfs/dbraw/zinc/96/60/70/395966070.db2.gz FZEQODPDWBCREW-IAGOWNOFSA-N 2 2 311.470 0.892 10 0 DCAELP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000247259575 395970946 /nfs/dbraw/zinc/97/09/46/395970946.db2.gz AZVKCWWFIUSPQI-GJZGRUSLSA-N 2 2 312.458 0.689 10 0 DCAELP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000247259575 395970950 /nfs/dbraw/zinc/97/09/50/395970950.db2.gz AZVKCWWFIUSPQI-GJZGRUSLSA-N 2 2 312.458 0.689 10 0 DCAELP C[C@]1(C[NH+]2CCN(c3cncc4ncnn43)CC2)CC[NH2+]C1 ZINC000262035867 396092324 /nfs/dbraw/zinc/09/23/24/396092324.db2.gz OOQUCGDDZCUPIE-HNNXBMFYSA-N 2 2 301.398 0.246 10 0 DCAELP c1ccc(OCC[NH+]2CCOCC2)c(CNC2=[NH+]CCCN2)c1 ZINC000261885150 396075926 /nfs/dbraw/zinc/07/59/26/396075926.db2.gz RQRUOUIULOAKEC-UHFFFAOYSA-N 2 2 318.421 0.837 10 0 DCAELP C[C@]1(C[N@@H+]2CCCN(CC(=O)N3CCCC3)CC2)CC[NH2+]C1 ZINC000261939849 396081591 /nfs/dbraw/zinc/08/15/91/396081591.db2.gz DNIYVHNLDNDZGS-KRWDZBQOSA-N 2 2 308.470 0.616 10 0 DCAELP C[C@]1(C[N@H+]2CCCN(CC(=O)N3CCCC3)CC2)CC[NH2+]C1 ZINC000261939849 396081596 /nfs/dbraw/zinc/08/15/96/396081596.db2.gz DNIYVHNLDNDZGS-KRWDZBQOSA-N 2 2 308.470 0.616 10 0 DCAELP CC[C@H](CNC(=O)[C@@H]1COCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000262676386 396171537 /nfs/dbraw/zinc/17/15/37/396171537.db2.gz SAVBPUJLLZCNCZ-SJORKVTESA-N 2 2 317.433 0.928 10 0 DCAELP CC[C@H](CNC(=O)[C@@H]1COCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000262676386 396171539 /nfs/dbraw/zinc/17/15/39/396171539.db2.gz SAVBPUJLLZCNCZ-SJORKVTESA-N 2 2 317.433 0.928 10 0 DCAELP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000263281702 396211068 /nfs/dbraw/zinc/21/10/68/396211068.db2.gz UJHZKWVQFXMGDP-NEPJUHHUSA-N 2 2 303.353 0.164 10 0 DCAELP COC(=O)CNC(=O)CC[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178324572 396194284 /nfs/dbraw/zinc/19/42/84/396194284.db2.gz AJMXOVVBTREFHD-ZDUSSCGKSA-N 2 2 308.382 0.335 10 0 DCAELP COC(=O)CNC(=O)CC[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178324572 396194287 /nfs/dbraw/zinc/19/42/87/396194287.db2.gz AJMXOVVBTREFHD-ZDUSSCGKSA-N 2 2 308.382 0.335 10 0 DCAELP CCn1cc(C[N@@H+]2CCCN(C(=O)C[NH2+]C3CC3)CC2)cn1 ZINC000182113183 396246535 /nfs/dbraw/zinc/24/65/35/396246535.db2.gz RHYKUWZNEUVYRJ-UHFFFAOYSA-N 2 2 305.426 0.689 10 0 DCAELP CCn1cc(C[N@H+]2CCCN(C(=O)C[NH2+]C3CC3)CC2)cn1 ZINC000182113183 396246538 /nfs/dbraw/zinc/24/65/38/396246538.db2.gz RHYKUWZNEUVYRJ-UHFFFAOYSA-N 2 2 305.426 0.689 10 0 DCAELP CCc1nnc(C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)[nH]1 ZINC000190663102 396409843 /nfs/dbraw/zinc/40/98/43/396409843.db2.gz ZGZSVIKWEQNSHV-UHFFFAOYSA-N 2 2 320.441 0.321 10 0 DCAELP CCc1n[nH]c(C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000190663102 396409847 /nfs/dbraw/zinc/40/98/47/396409847.db2.gz ZGZSVIKWEQNSHV-UHFFFAOYSA-N 2 2 320.441 0.321 10 0 DCAELP C[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)CC1 ZINC000188119770 396379002 /nfs/dbraw/zinc/37/90/02/396379002.db2.gz YVDYOKNGWWCBRS-GJZGRUSLSA-N 2 2 323.462 0.530 10 0 DCAELP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)CC1 ZINC000188119770 396379005 /nfs/dbraw/zinc/37/90/05/396379005.db2.gz YVDYOKNGWWCBRS-GJZGRUSLSA-N 2 2 323.462 0.530 10 0 DCAELP CC(=O)N1CCCC[C@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617767243 396823383 /nfs/dbraw/zinc/82/33/83/396823383.db2.gz MBTOORALDAUPRL-HNNXBMFYSA-N 2 2 312.458 0.387 10 0 DCAELP CC(=O)N1CCCC[C@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617767243 396823387 /nfs/dbraw/zinc/82/33/87/396823387.db2.gz MBTOORALDAUPRL-HNNXBMFYSA-N 2 2 312.458 0.387 10 0 DCAELP O[C@@H](COC[C@H]1CCCO1)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000603509465 397614652 /nfs/dbraw/zinc/61/46/52/397614652.db2.gz FYYWNNSXHUIIAC-HUUCEWRRSA-N 2 2 324.425 0.084 10 0 DCAELP C[NH+]1CCN(C(=O)CC2CC[NH+]([C@H]3CCOC3=O)CC2)CC1 ZINC000109789197 158138164 /nfs/dbraw/zinc/13/81/64/158138164.db2.gz NPVKKDUUKYFWPM-AWEZNQCLSA-N 2 2 309.410 0.178 10 0 DCAELP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@@H]2COCC[NH2+]2)cc1 ZINC000166514250 158366293 /nfs/dbraw/zinc/36/62/93/158366293.db2.gz WMFKAKYCCGYLHL-AWEZNQCLSA-N 2 2 320.393 0.504 10 0 DCAELP COC(=O)[C@@H]1C[C@H]1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000170758853 158376054 /nfs/dbraw/zinc/37/60/54/158376054.db2.gz DYZMAINSBNQTSV-HUUCEWRRSA-N 2 2 323.437 0.470 10 0 DCAELP COCc1noc(CN2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)n1 ZINC000262148134 158779483 /nfs/dbraw/zinc/77/94/83/158779483.db2.gz ZPNQVDGRRPUTBG-OAHLLOKOSA-N 2 2 309.414 0.333 10 0 DCAELP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000333021077 159218805 /nfs/dbraw/zinc/21/88/05/159218805.db2.gz AQOORGMCADEKHB-DZGCQCFKSA-N 2 2 324.469 0.528 10 0 DCAELP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000333021077 159218807 /nfs/dbraw/zinc/21/88/07/159218807.db2.gz AQOORGMCADEKHB-DZGCQCFKSA-N 2 2 324.469 0.528 10 0 DCAELP C[C@H]1CCOCCN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000378461847 159983598 /nfs/dbraw/zinc/98/35/98/159983598.db2.gz LAZXOSHTAGQBHB-AWEZNQCLSA-N 2 2 312.458 0.833 10 0 DCAELP Cc1nc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c(=O)[nH]c1C ZINC000132357156 287004974 /nfs/dbraw/zinc/00/49/74/287004974.db2.gz LKUHNXDLIHWTBW-UHFFFAOYSA-N 2 2 321.425 0.143 10 0 DCAELP CC(=O)N[C@@H]1CCCN(C(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000246514994 287084884 /nfs/dbraw/zinc/08/48/84/287084884.db2.gz BNVQPJAINAZLDJ-FVQBIDKESA-N 2 2 324.469 0.528 10 0 DCAELP CC(=O)N[C@@H]1CCCN(C(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000246514994 287084885 /nfs/dbraw/zinc/08/48/85/287084885.db2.gz BNVQPJAINAZLDJ-FVQBIDKESA-N 2 2 324.469 0.528 10 0 DCAELP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000246514994 287084887 /nfs/dbraw/zinc/08/48/87/287084887.db2.gz BNVQPJAINAZLDJ-FVQBIDKESA-N 2 2 324.469 0.528 10 0 DCAELP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000246514994 287084888 /nfs/dbraw/zinc/08/48/88/287084888.db2.gz BNVQPJAINAZLDJ-FVQBIDKESA-N 2 2 324.469 0.528 10 0 DCAELP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000174750304 416086977 /nfs/dbraw/zinc/08/69/77/416086977.db2.gz IISRUAOAJBUKMO-GJZGRUSLSA-N 2 2 312.458 0.833 10 0 DCAELP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000174750304 416086981 /nfs/dbraw/zinc/08/69/81/416086981.db2.gz IISRUAOAJBUKMO-GJZGRUSLSA-N 2 2 312.458 0.833 10 0 DCAELP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000174750304 416086984 /nfs/dbraw/zinc/08/69/84/416086984.db2.gz IISRUAOAJBUKMO-GJZGRUSLSA-N 2 2 312.458 0.833 10 0 DCAELP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000174750304 416086988 /nfs/dbraw/zinc/08/69/88/416086988.db2.gz IISRUAOAJBUKMO-GJZGRUSLSA-N 2 2 312.458 0.833 10 0 DCAELP C[C@@H](C[N@H+](C)Cc1ccccc1)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000309847613 416105439 /nfs/dbraw/zinc/10/54/39/416105439.db2.gz YTGZWLOMKDLULN-FUHWJXTLSA-N 2 2 321.465 0.790 10 0 DCAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000309847613 416105443 /nfs/dbraw/zinc/10/54/43/416105443.db2.gz YTGZWLOMKDLULN-FUHWJXTLSA-N 2 2 321.465 0.790 10 0 DCAELP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)CC(C)(C)[NH3+])CC1 ZINC000178886826 416175861 /nfs/dbraw/zinc/17/58/61/416175861.db2.gz IYDCKRGBRFWLRD-UHFFFAOYSA-N 2 2 307.442 0.809 10 0 DCAELP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000178886690 416176224 /nfs/dbraw/zinc/17/62/24/416176224.db2.gz QDHBSAANZQXHHN-GJZGRUSLSA-N 2 2 319.453 0.809 10 0 DCAELP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000180839159 416201553 /nfs/dbraw/zinc/20/15/53/416201553.db2.gz NLGWVWRQJDYNCW-OAHLLOKOSA-N 3 2 319.453 0.449 10 0 DCAELP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC(=O)N2CCN(C)CC2)C1 ZINC000180839159 416201556 /nfs/dbraw/zinc/20/15/56/416201556.db2.gz NLGWVWRQJDYNCW-OAHLLOKOSA-N 2 2 319.453 0.449 10 0 DCAELP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC(=O)N2CCN(C)CC2)C1 ZINC000180839159 416201560 /nfs/dbraw/zinc/20/15/60/416201560.db2.gz NLGWVWRQJDYNCW-OAHLLOKOSA-N 2 2 319.453 0.449 10 0 DCAELP O=C([C@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1)N1CCOCC1 ZINC000182620094 416227597 /nfs/dbraw/zinc/22/75/97/416227597.db2.gz CLNNXSFNBQHEEC-HNNXBMFYSA-N 2 2 306.410 0.844 10 0 DCAELP O=C([C@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1)N1CCOCC1 ZINC000182620094 416227598 /nfs/dbraw/zinc/22/75/98/416227598.db2.gz CLNNXSFNBQHEEC-HNNXBMFYSA-N 2 2 306.410 0.844 10 0 DCAELP CN(C)c1cc[nH+]cc1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000183625108 416246306 /nfs/dbraw/zinc/24/63/06/416246306.db2.gz XUSLVPOXVHMJKO-UHFFFAOYSA-N 2 2 319.409 0.042 10 0 DCAELP C[N@H+](C[C@H]1CNC(=O)O1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000368751524 416689517 /nfs/dbraw/zinc/68/95/17/416689517.db2.gz SJTPXKDYSFUSPJ-WBVHZDCISA-N 2 2 319.405 0.664 10 0 DCAELP C[N@@H+](C[C@H]1CNC(=O)O1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000368751524 416689521 /nfs/dbraw/zinc/68/95/21/416689521.db2.gz SJTPXKDYSFUSPJ-WBVHZDCISA-N 2 2 319.405 0.664 10 0 DCAELP C[NH+](C[C@H]1CNC(=O)O1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000368751524 416689525 /nfs/dbraw/zinc/68/95/25/416689525.db2.gz SJTPXKDYSFUSPJ-WBVHZDCISA-N 2 2 319.405 0.664 10 0 DCAELP C[NH+](C[C@H]1CNC(=O)O1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000368751524 416689529 /nfs/dbraw/zinc/68/95/29/416689529.db2.gz SJTPXKDYSFUSPJ-WBVHZDCISA-N 2 2 319.405 0.664 10 0 DCAELP c1[nH+]c2n(c1C[NH2+][C@H]1CCN(c3ccc4nncn4n3)C1)CCC2 ZINC000623651968 416864840 /nfs/dbraw/zinc/86/48/40/416864840.db2.gz ZZCXIEQTNJEXMX-LBPRGKRZSA-N 2 2 324.392 0.636 10 0 DCAELP CCCCNc1cc(N2CC[N@@H+]3CCOC[C@@H]3C2)nc(N)[nH+]1 ZINC000376431709 417030785 /nfs/dbraw/zinc/03/07/85/417030785.db2.gz AOBGVNUMIGRUJM-LBPRGKRZSA-N 2 2 306.414 0.792 10 0 DCAELP CCCCNc1cc(N2CC[N@H+]3CCOC[C@@H]3C2)nc(N)[nH+]1 ZINC000376431709 417030792 /nfs/dbraw/zinc/03/07/92/417030792.db2.gz AOBGVNUMIGRUJM-LBPRGKRZSA-N 2 2 306.414 0.792 10 0 DCAELP CO[C@H]1C[C@@H](C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)[N@H+](C)C1 ZINC000408058647 417137491 /nfs/dbraw/zinc/13/74/91/417137491.db2.gz LEHUWKSPESLCAW-ZNMIVQPWSA-N 2 2 304.394 0.274 10 0 DCAELP CO[C@H]1C[C@@H](C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)[N@@H+](C)C1 ZINC000408058647 417137496 /nfs/dbraw/zinc/13/74/96/417137496.db2.gz LEHUWKSPESLCAW-ZNMIVQPWSA-N 2 2 304.394 0.274 10 0 DCAELP COCC[N@@H+]1CCC[C@@H]1CN[C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261982927 277221980 /nfs/dbraw/zinc/22/19/80/277221980.db2.gz RSZWHRNYWAJCJF-QBPKDAKJSA-N 2 2 311.470 0.844 10 0 DCAELP COCC[N@H+]1CCC[C@@H]1CN[C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261982927 277221981 /nfs/dbraw/zinc/22/19/81/277221981.db2.gz RSZWHRNYWAJCJF-QBPKDAKJSA-N 2 2 311.470 0.844 10 0 DCAELP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000552743544 288279988 /nfs/dbraw/zinc/27/99/88/288279988.db2.gz HLEWBRHCWCTKGE-CYBMUJFWSA-N 2 2 315.377 0.873 10 0 DCAELP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000552743544 288279990 /nfs/dbraw/zinc/27/99/90/288279990.db2.gz HLEWBRHCWCTKGE-CYBMUJFWSA-N 2 2 315.377 0.873 10 0 DCAELP C[NH+]1CCC(NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000073485555 289884790 /nfs/dbraw/zinc/88/47/90/289884790.db2.gz CFJKJEZBYBNKCZ-MRXNPFEDSA-N 2 2 324.469 0.977 10 0 DCAELP COC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)C1CCOCC1 ZINC000188044568 293150030 /nfs/dbraw/zinc/15/00/30/293150030.db2.gz JJQDHHATXOFEFU-ZBFHGGJFSA-N 2 2 300.443 0.986 10 0 DCAELP Cn1cc[nH+]c1[C@H]1CN(C(=O)N[C@@H]2CCCC[NH2+]C2)CCN1C ZINC000333882248 303007225 /nfs/dbraw/zinc/00/72/25/303007225.db2.gz WKTBTPHRKDKTEG-ZIAGYGMSSA-N 2 2 320.441 0.560 10 0 DCAELP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2[NH2+]CCc3ccccc32)C[C@H]1C ZINC000252671381 545974931 /nfs/dbraw/zinc/97/49/31/545974931.db2.gz OPCXVPZVFATEAW-JKIFEVAISA-N 2 2 317.433 0.787 10 0 DCAELP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2[NH2+]CCc3ccccc32)C[C@H]1C ZINC000252671381 545974937 /nfs/dbraw/zinc/97/49/37/545974937.db2.gz OPCXVPZVFATEAW-JKIFEVAISA-N 2 2 317.433 0.787 10 0 DCAELP C[N@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)CC1(CO)CC1 ZINC000186784629 529827568 /nfs/dbraw/zinc/82/75/68/529827568.db2.gz HSOTXZCXYINRSI-UHFFFAOYSA-N 2 2 321.421 0.628 10 0 DCAELP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)CC1(CO)CC1 ZINC000186784629 529827569 /nfs/dbraw/zinc/82/75/69/529827569.db2.gz HSOTXZCXYINRSI-UHFFFAOYSA-N 2 2 321.421 0.628 10 0 DCAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NC(=O)NCC(F)(F)F)CC[N@@H+]1C ZINC000123883425 297258288 /nfs/dbraw/zinc/25/82/88/297258288.db2.gz MJTLVKXIWGKYFO-ZJUUUORDSA-N 2 2 324.347 0.789 10 0 DCAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NC(=O)NCC(F)(F)F)CC[N@H+]1C ZINC000123883425 297258289 /nfs/dbraw/zinc/25/82/89/297258289.db2.gz MJTLVKXIWGKYFO-ZJUUUORDSA-N 2 2 324.347 0.789 10 0 DCAELP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)NC(=O)NCC(F)(F)F)CC[NH+]1C ZINC000123883425 297258290 /nfs/dbraw/zinc/25/82/90/297258290.db2.gz MJTLVKXIWGKYFO-ZJUUUORDSA-N 2 2 324.347 0.789 10 0 DCAELP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)NC(=O)NCC(F)(F)F)CC[NH+]1C ZINC000123883425 297258291 /nfs/dbraw/zinc/25/82/91/297258291.db2.gz MJTLVKXIWGKYFO-ZJUUUORDSA-N 2 2 324.347 0.789 10 0 DCAELP C[NH+](C)C1CC[NH+](CCNC(=O)NCC2(CCO)CC2)CC1 ZINC000187715050 237355710 /nfs/dbraw/zinc/35/57/10/237355710.db2.gz KOVDSVNEMYRFOK-UHFFFAOYSA-N 2 2 312.458 0.474 10 0 DCAELP C[C@@]1(F)C[NH2+]CCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000566009078 291264045 /nfs/dbraw/zinc/26/40/45/291264045.db2.gz ACOUUSNVXSIBFD-CQSZACIVSA-N 2 2 304.329 0.436 10 0 DCAELP C[N@H+](CCNC(=O)NC[C@H]1C[NH+](C)CCO1)Cc1ccccc1 ZINC000104791542 194039406 /nfs/dbraw/zinc/03/94/06/194039406.db2.gz XQWKJTCXVIMHDK-INIZCTEOSA-N 2 2 320.437 0.748 10 0 DCAELP C[N@@H+](CCNC(=O)NC[C@H]1C[NH+](C)CCO1)Cc1ccccc1 ZINC000104791542 194039408 /nfs/dbraw/zinc/03/94/08/194039408.db2.gz XQWKJTCXVIMHDK-INIZCTEOSA-N 2 2 320.437 0.748 10 0 DCAELP C[NH+](CCNC(=O)NC[C@H]1C[N@H+](C)CCO1)Cc1ccccc1 ZINC000104791542 194039410 /nfs/dbraw/zinc/03/94/10/194039410.db2.gz XQWKJTCXVIMHDK-INIZCTEOSA-N 2 2 320.437 0.748 10 0 DCAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000105845807 194145552 /nfs/dbraw/zinc/14/55/52/194145552.db2.gz FZEQODPDWBCREW-DLBZAZTESA-N 2 2 311.470 0.892 10 0 DCAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000105845807 194145554 /nfs/dbraw/zinc/14/55/54/194145554.db2.gz FZEQODPDWBCREW-DLBZAZTESA-N 2 2 311.470 0.892 10 0 DCAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000105896808 194162242 /nfs/dbraw/zinc/16/22/42/194162242.db2.gz ULQABNKSVSOSDR-ZDUSSCGKSA-N 2 2 319.409 0.041 10 0 DCAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000105896808 194162243 /nfs/dbraw/zinc/16/22/43/194162243.db2.gz ULQABNKSVSOSDR-ZDUSSCGKSA-N 2 2 319.409 0.041 10 0 DCAELP COCC[N@@H+]1C[C@H]2OCCN(c3cc[nH+]c(N(C)C)n3)[C@H]2C1 ZINC000248147884 257108825 /nfs/dbraw/zinc/10/88/25/257108825.db2.gz WFMLAKFRWLQOGQ-QWHCGFSZSA-N 2 2 307.398 0.078 10 0 DCAELP COCC[N@H+]1C[C@H]2OCCN(c3cc[nH+]c(N(C)C)n3)[C@H]2C1 ZINC000248147884 257108827 /nfs/dbraw/zinc/10/88/27/257108827.db2.gz WFMLAKFRWLQOGQ-QWHCGFSZSA-N 2 2 307.398 0.078 10 0 DCAELP C[C@H](CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)[NH+]1CCOCC1 ZINC000245886755 395937825 /nfs/dbraw/zinc/93/78/25/395937825.db2.gz BRGSSOHJAMFKBA-BZUAXINKSA-N 2 2 324.469 0.833 10 0 DCAELP C[C@H](CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)[NH+]1CCOCC1 ZINC000245886755 395937828 /nfs/dbraw/zinc/93/78/28/395937828.db2.gz BRGSSOHJAMFKBA-BZUAXINKSA-N 2 2 324.469 0.833 10 0 DCAELP C[N@@H+]1CCO[C@H](CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000245914074 395938506 /nfs/dbraw/zinc/93/85/06/395938506.db2.gz KDOHUCCQEUFAHE-HZPDHXFCSA-N 2 2 324.469 0.977 10 0 DCAELP C[N@H+]1CCO[C@H](CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000245914074 395938507 /nfs/dbraw/zinc/93/85/07/395938507.db2.gz KDOHUCCQEUFAHE-HZPDHXFCSA-N 2 2 324.469 0.977 10 0 DCAELP COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000248866230 395998969 /nfs/dbraw/zinc/99/89/69/395998969.db2.gz TVHWVEXTFCWOPR-GUTXKFCHSA-N 2 2 309.410 0.034 10 0 DCAELP COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000248866230 395998973 /nfs/dbraw/zinc/99/89/73/395998973.db2.gz TVHWVEXTFCWOPR-GUTXKFCHSA-N 2 2 309.410 0.034 10 0 DCAELP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000246120821 395942343 /nfs/dbraw/zinc/94/23/43/395942343.db2.gz IISRUAOAJBUKMO-CABCVRRESA-N 2 2 312.458 0.833 10 0 DCAELP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000246120821 395942345 /nfs/dbraw/zinc/94/23/45/395942345.db2.gz IISRUAOAJBUKMO-CABCVRRESA-N 2 2 312.458 0.833 10 0 DCAELP CN(CC[C@H]1CCCC[NH+]1C)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000246120821 395942348 /nfs/dbraw/zinc/94/23/48/395942348.db2.gz IISRUAOAJBUKMO-CABCVRRESA-N 2 2 312.458 0.833 10 0 DCAELP CN(CC[C@H]1CCCC[NH+]1C)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000246120821 395942349 /nfs/dbraw/zinc/94/23/49/395942349.db2.gz IISRUAOAJBUKMO-CABCVRRESA-N 2 2 312.458 0.833 10 0 DCAELP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000246393871 395949255 /nfs/dbraw/zinc/94/92/55/395949255.db2.gz WGIMBVKKUVPTLP-CVEARBPZSA-N 2 2 305.422 0.606 10 0 DCAELP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000246393871 395949256 /nfs/dbraw/zinc/94/92/56/395949256.db2.gz WGIMBVKKUVPTLP-CVEARBPZSA-N 2 2 305.422 0.606 10 0 DCAELP COC(=O)CNC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151106292 395978620 /nfs/dbraw/zinc/97/86/20/395978620.db2.gz QAXNHRVAUOTNSE-GFCCVEGCSA-N 2 2 306.366 0.105 10 0 DCAELP COC(=O)CNC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151106292 395978625 /nfs/dbraw/zinc/97/86/25/395978625.db2.gz QAXNHRVAUOTNSE-GFCCVEGCSA-N 2 2 306.366 0.105 10 0 DCAELP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccnn1-c1ccccc1 ZINC000261650441 396052152 /nfs/dbraw/zinc/05/21/52/396052152.db2.gz BBKJSQIJCNTZRC-UHFFFAOYSA-N 2 2 313.405 0.736 10 0 DCAELP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccnn1-c1ccccc1 ZINC000261650441 396052156 /nfs/dbraw/zinc/05/21/56/396052156.db2.gz BBKJSQIJCNTZRC-UHFFFAOYSA-N 2 2 313.405 0.736 10 0 DCAELP C[C@@]1(C[NH+]2CCN(c3ncccc3C(N)=O)CC2)CC[NH2+]C1 ZINC000261758213 396062971 /nfs/dbraw/zinc/06/29/71/396062971.db2.gz LAEHKCDNGDOMBZ-MRXNPFEDSA-N 2 2 303.410 0.302 10 0 DCAELP COc1ccccc1[C@@H]1C[NH2+]CCN1CC[NH+]1CCOCC1 ZINC000261773766 396064102 /nfs/dbraw/zinc/06/41/02/396064102.db2.gz OWRQGZMVXFHRRF-INIZCTEOSA-N 2 2 305.422 0.974 10 0 DCAELP C[C@@H]1CCC[C@H](NC(=O)C[N@H+](C)CC(=O)N2CC[NH2+]CC2)[C@H]1C ZINC000261822590 396069594 /nfs/dbraw/zinc/06/95/94/396069594.db2.gz WRSLKPAPZMUFRR-ILXRZTDVSA-N 2 2 324.469 0.291 10 0 DCAELP C[C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)[C@H]1C ZINC000261822590 396069598 /nfs/dbraw/zinc/06/95/98/396069598.db2.gz WRSLKPAPZMUFRR-ILXRZTDVSA-N 2 2 324.469 0.291 10 0 DCAELP [NH3+]Cc1nc(CN2CC[NH+](Cc3cccc(O)c3)CC2)no1 ZINC000262126411 396102181 /nfs/dbraw/zinc/10/21/81/396102181.db2.gz COOIBGBLUZXGPR-UHFFFAOYSA-N 2 2 303.366 0.552 10 0 DCAELP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CCOCC1 ZINC000261919487 396079278 /nfs/dbraw/zinc/07/92/78/396079278.db2.gz KBKXSRIZXMWLFF-XHSDSOJGSA-N 3 2 311.470 0.844 10 0 DCAELP CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000162563315 396082209 /nfs/dbraw/zinc/08/22/09/396082209.db2.gz BEHFKRFVQGZVRS-UONOGXRCSA-N 2 2 303.472 0.873 10 0 DCAELP CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000162563315 396082212 /nfs/dbraw/zinc/08/22/12/396082212.db2.gz BEHFKRFVQGZVRS-UONOGXRCSA-N 2 2 303.472 0.873 10 0 DCAELP CC(C)NS(=O)(=O)[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000162563315 396082214 /nfs/dbraw/zinc/08/22/14/396082214.db2.gz BEHFKRFVQGZVRS-UONOGXRCSA-N 2 2 303.472 0.873 10 0 DCAELP CC(C)NS(=O)(=O)[C@@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000162563315 396082217 /nfs/dbraw/zinc/08/22/17/396082217.db2.gz BEHFKRFVQGZVRS-UONOGXRCSA-N 2 2 303.472 0.873 10 0 DCAELP CN1CC[NH2+]C[C@@H]1c1noc(-c2ccnc(-n3cc[nH+]c3)c2)n1 ZINC000263223594 396206803 /nfs/dbraw/zinc/20/68/03/396206803.db2.gz MJGCJBBIYHDWJC-GFCCVEGCSA-N 2 2 311.349 0.893 10 0 DCAELP O=C(NCc1ccccc1OCC[NH+]1CCOCC1)C1C[NH2+]C1 ZINC000263268714 396210523 /nfs/dbraw/zinc/21/05/23/396210523.db2.gz HVHBHLJHEKGFTR-UHFFFAOYSA-N 2 2 319.405 0.233 10 0 DCAELP C[C@@H]1CN(C(=O)NCCn2cc[nH+]c2)C[C@@H]1[NH+]1CCOCC1 ZINC000177298119 396171362 /nfs/dbraw/zinc/17/13/62/396171362.db2.gz GDWCVBQZKYKCBH-KGLIPLIRSA-N 2 2 307.398 0.245 10 0 DCAELP O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc2[nH+]ccn2c1 ZINC000178513494 396197576 /nfs/dbraw/zinc/19/75/76/396197576.db2.gz HLWPIQAHXAXCKU-AWEZNQCLSA-N 2 2 302.378 0.911 10 0 DCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263025963 396198209 /nfs/dbraw/zinc/19/82/09/396198209.db2.gz RKHZBIIHDLJOHZ-RYUDHWBXSA-N 2 2 305.369 0.457 10 0 DCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263025963 396198213 /nfs/dbraw/zinc/19/82/13/396198213.db2.gz RKHZBIIHDLJOHZ-RYUDHWBXSA-N 2 2 305.369 0.457 10 0 DCAELP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000181684231 396241598 /nfs/dbraw/zinc/24/15/98/396241598.db2.gz VPSVSECBWWBGJL-NSHDSACASA-N 2 2 311.348 0.396 10 0 DCAELP Cc1[nH+]cc2n1C[C@@H](C(=O)NCc1c[nH+]c(N(C)C)n1C)CC2 ZINC000564112458 396812376 /nfs/dbraw/zinc/81/23/76/396812376.db2.gz HYJGJIDTMHJEBE-LBPRGKRZSA-N 2 2 316.409 0.870 10 0 DCAELP CN(CC1CC1)C(=O)C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000604388767 397639019 /nfs/dbraw/zinc/63/90/19/397639019.db2.gz JSBBKPKDFVJJGY-MRXNPFEDSA-N 2 2 308.470 0.567 10 0 DCAELP CCn1cnnc1[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093170036 158118959 /nfs/dbraw/zinc/11/89/59/158118959.db2.gz DJFCYYHMDAVTPY-AWEZNQCLSA-N 2 2 320.441 0.251 10 0 DCAELP CCn1cnnc1[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093170036 158118963 /nfs/dbraw/zinc/11/89/63/158118963.db2.gz DJFCYYHMDAVTPY-AWEZNQCLSA-N 2 2 320.441 0.251 10 0 DCAELP CC1CC[NH+](CCCNC(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000104799323 158129599 /nfs/dbraw/zinc/12/95/99/158129599.db2.gz PKXGKRJFOLISSZ-HNNXBMFYSA-N 2 2 312.458 0.738 10 0 DCAELP CC1CC[NH+](CCCNC(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000104799323 158129601 /nfs/dbraw/zinc/12/96/01/158129601.db2.gz PKXGKRJFOLISSZ-HNNXBMFYSA-N 2 2 312.458 0.738 10 0 DCAELP C[C@@H](C(=O)N1CC[NH2+][C@@H](c2cccnc2)C1)N1CC[NH+](C)CC1 ZINC000328642394 159016771 /nfs/dbraw/zinc/01/67/71/159016771.db2.gz DVDFDMUSWHMCNS-GOEBONIOSA-N 2 2 317.437 0.190 10 0 DCAELP C[C@H]1CN(C(=O)Cc2ccon2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000329116950 159064170 /nfs/dbraw/zinc/06/41/70/159064170.db2.gz UFTWHQOHPHZRPM-ZDUSSCGKSA-N 2 2 306.410 0.844 10 0 DCAELP C[C@H]1CN(C(=O)Cc2ccon2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000329116950 159064172 /nfs/dbraw/zinc/06/41/72/159064172.db2.gz UFTWHQOHPHZRPM-ZDUSSCGKSA-N 2 2 306.410 0.844 10 0 DCAELP Cc1nc(N2CCN(C(=O)N[C@H]3CCCC[NH2+]C3)CC2)cc[nH+]1 ZINC000333819041 287147050 /nfs/dbraw/zinc/14/70/50/287147050.db2.gz KONLVLLAIZQJGG-AWEZNQCLSA-N 2 2 318.425 0.759 10 0 DCAELP C[C@H](NC(=O)N1CC[NH+](C2CC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000105298315 415631853 /nfs/dbraw/zinc/63/18/53/415631853.db2.gz RMDDWIUGKCLXMO-KBPBESRZSA-N 2 2 310.442 0.585 10 0 DCAELP C[C@@]1(F)C[NH2+]CCN(C(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000333664677 415708878 /nfs/dbraw/zinc/70/88/78/415708878.db2.gz XLNZZLYUJUIPJZ-CQSZACIVSA-N 2 2 302.394 0.052 10 0 DCAELP C[C@@]1(F)C[NH2+]CCN(C(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000333664677 415708884 /nfs/dbraw/zinc/70/88/84/415708884.db2.gz XLNZZLYUJUIPJZ-CQSZACIVSA-N 2 2 302.394 0.052 10 0 DCAELP C[C@H]1C[C@H]([NH+](C)CC(=O)NCC(=O)N2CCCC2)CC[N@@H+]1C ZINC000123854506 415846027 /nfs/dbraw/zinc/84/60/27/415846027.db2.gz VJPOGDGBLCBCIJ-UONOGXRCSA-N 2 2 310.442 0.140 10 0 DCAELP C[C@H]1C[C@H]([NH+](C)CC(=O)NCC(=O)N2CCCC2)CC[N@H+]1C ZINC000123854506 415846031 /nfs/dbraw/zinc/84/60/31/415846031.db2.gz VJPOGDGBLCBCIJ-UONOGXRCSA-N 2 2 310.442 0.140 10 0 DCAELP C[C@H]1C[C@H]([N@H+](C)CC(=O)NCC(=O)N2CCCC2)CC[NH+]1C ZINC000123854506 415846035 /nfs/dbraw/zinc/84/60/35/415846035.db2.gz VJPOGDGBLCBCIJ-UONOGXRCSA-N 2 2 310.442 0.140 10 0 DCAELP C[C@H]1C[C@H]([N@@H+](C)CC(=O)NCC(=O)N2CCCC2)CC[NH+]1C ZINC000123854506 415846040 /nfs/dbraw/zinc/84/60/40/415846040.db2.gz VJPOGDGBLCBCIJ-UONOGXRCSA-N 2 2 310.442 0.140 10 0 DCAELP CN(C)C(=O)CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000173337249 416057460 /nfs/dbraw/zinc/05/74/60/416057460.db2.gz WONWPSVSTCEVNZ-UHFFFAOYSA-N 2 2 324.469 0.531 10 0 DCAELP C[C@@H](C[N@H+](C)Cc1ccccc1)NC[C@H](O)C[NH+]1CCOCC1 ZINC000309847616 416105820 /nfs/dbraw/zinc/10/58/20/416105820.db2.gz YTGZWLOMKDLULN-WMZOPIPTSA-N 2 2 321.465 0.790 10 0 DCAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC[C@H](O)C[NH+]1CCOCC1 ZINC000309847616 416105822 /nfs/dbraw/zinc/10/58/22/416105822.db2.gz YTGZWLOMKDLULN-WMZOPIPTSA-N 2 2 321.465 0.790 10 0 DCAELP CCC[N@H+](CC)CCNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000175760921 416112429 /nfs/dbraw/zinc/11/24/29/416112429.db2.gz IMCBFYXQXOANOS-HNNXBMFYSA-N 2 2 312.458 0.834 10 0 DCAELP CCC[N@@H+](CC)CCNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000175760921 416112432 /nfs/dbraw/zinc/11/24/32/416112432.db2.gz IMCBFYXQXOANOS-HNNXBMFYSA-N 2 2 312.458 0.834 10 0 DCAELP CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@H]2C1 ZINC000329409019 416167998 /nfs/dbraw/zinc/16/79/98/416167998.db2.gz ACNSVJBIEMRFPW-QLFBSQMISA-N 2 2 318.421 0.767 10 0 DCAELP CC[N@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@H]2C1 ZINC000329409019 416168002 /nfs/dbraw/zinc/16/80/02/416168002.db2.gz ACNSVJBIEMRFPW-QLFBSQMISA-N 2 2 318.421 0.767 10 0 DCAELP CC1=CC[N@H+](CC[NH2+]C2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC000565867024 417028310 /nfs/dbraw/zinc/02/83/10/417028310.db2.gz ZQVHVMIRGJGREL-UHFFFAOYSA-N 2 2 306.410 0.749 10 0 DCAELP CC1=CC[N@@H+](CC[NH2+]C2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC000565867024 417028313 /nfs/dbraw/zinc/02/83/13/417028313.db2.gz ZQVHVMIRGJGREL-UHFFFAOYSA-N 2 2 306.410 0.749 10 0 DCAELP C(C[NH+]1CCOCC1)N1CCC([NH2+][C@@H]2CO[C@H](C3CC3)C2)CC1 ZINC000624221762 416985739 /nfs/dbraw/zinc/98/57/39/416985739.db2.gz HOOSDDQQJUAGTN-ROUUACIJSA-N 2 2 323.481 0.940 10 0 DCAELP C(C[NH+]1CCC([NH2+][C@@H]2CO[C@H](C3CC3)C2)CC1)N1CCOCC1 ZINC000624221762 416985747 /nfs/dbraw/zinc/98/57/47/416985747.db2.gz HOOSDDQQJUAGTN-ROUUACIJSA-N 2 2 323.481 0.940 10 0 DCAELP C[C@@H]1CCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)C[C@H]1n1cc[nH+]c1 ZINC000188948853 287563666 /nfs/dbraw/zinc/56/36/66/287563666.db2.gz FKHADGJSNCNDKL-BXUZGUMPSA-N 2 2 314.393 0.975 10 0 DCAELP CCN(CCC[NH+](C)C)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000188612588 261129886 /nfs/dbraw/zinc/12/98/86/261129886.db2.gz RBVWHIZAVKTJMR-CQSZACIVSA-N 2 2 300.447 0.690 10 0 DCAELP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000194891714 261149556 /nfs/dbraw/zinc/14/95/56/261149556.db2.gz XZHPMDPZAKZAJY-KBPBESRZSA-N 2 2 323.441 0.848 10 0 DCAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@H](O)Cn1ccnn1 ZINC000459699607 272004958 /nfs/dbraw/zinc/00/49/58/272004958.db2.gz OOFVROZVVKNQNY-PVAVHDDUSA-N 2 2 315.421 0.749 10 0 DCAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@H](O)Cn1ccnn1 ZINC000459699607 272004961 /nfs/dbraw/zinc/00/49/61/272004961.db2.gz OOFVROZVVKNQNY-PVAVHDDUSA-N 2 2 315.421 0.749 10 0 DCAELP CCC(CC)[C@@H](CNC(=O)[C@@H]1COCC[NH2+]1)[NH+]1CCOCC1 ZINC000236665513 276212218 /nfs/dbraw/zinc/21/22/18/276212218.db2.gz QDTNGXYUAKIFAJ-LSDHHAIUSA-N 2 2 313.442 0.228 10 0 DCAELP CC(=O)N[C@@H](C)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000408078032 277039014 /nfs/dbraw/zinc/03/90/14/277039014.db2.gz GAXCWLRGNLOOIW-OLZOCXBDSA-N 2 2 310.442 0.138 10 0 DCAELP CC(=O)N[C@@H](C)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000408078032 277039017 /nfs/dbraw/zinc/03/90/17/277039017.db2.gz GAXCWLRGNLOOIW-OLZOCXBDSA-N 2 2 310.442 0.138 10 0 DCAELP C[N@@H+]1CC[C@@H]2CCN(c3cc(N4CCC[C@H]4CO)[nH+]cn3)[C@H]2C1 ZINC000330347915 277146886 /nfs/dbraw/zinc/14/68/86/277146886.db2.gz IGFAYNPDIKSEDO-ILXRZTDVSA-N 2 2 317.437 0.968 10 0 DCAELP C[N@H+]1CC[C@@H]2CCN(c3cc(N4CCC[C@H]4CO)[nH+]cn3)[C@H]2C1 ZINC000330347915 277146887 /nfs/dbraw/zinc/14/68/87/277146887.db2.gz IGFAYNPDIKSEDO-ILXRZTDVSA-N 2 2 317.437 0.968 10 0 DCAELP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173864525 277578623 /nfs/dbraw/zinc/57/86/23/277578623.db2.gz KOEVIFXODUPATD-LSDHHAIUSA-N 2 2 308.426 0.363 10 0 DCAELP CC[NH+](CC)CCCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173781902 279097755 /nfs/dbraw/zinc/09/77/55/279097755.db2.gz RIDWJYXLUYSXIL-OAHLLOKOSA-N 2 2 312.458 0.834 10 0 DCAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000172262625 288301975 /nfs/dbraw/zinc/30/19/75/288301975.db2.gz VZTLHFQTBINDQB-HUUCEWRRSA-N 2 2 324.469 0.975 10 0 DCAELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000172262625 288301978 /nfs/dbraw/zinc/30/19/78/288301978.db2.gz VZTLHFQTBINDQB-HUUCEWRRSA-N 2 2 324.469 0.975 10 0 DCAELP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000172262625 288301980 /nfs/dbraw/zinc/30/19/80/288301980.db2.gz VZTLHFQTBINDQB-HUUCEWRRSA-N 2 2 324.469 0.975 10 0 DCAELP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000172262625 288301982 /nfs/dbraw/zinc/30/19/82/288301982.db2.gz VZTLHFQTBINDQB-HUUCEWRRSA-N 2 2 324.469 0.975 10 0 DCAELP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@H]([NH3+])C(C)(C)C3)cn2)CC1 ZINC000261871341 290059016 /nfs/dbraw/zinc/05/90/16/290059016.db2.gz SZRDDVQYGGGAEK-HNNXBMFYSA-N 3 2 318.469 0.788 10 0 DCAELP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@H]([NH3+])C(C)(C)C3)cn2)CC1 ZINC000261871341 290059021 /nfs/dbraw/zinc/05/90/21/290059021.db2.gz SZRDDVQYGGGAEK-HNNXBMFYSA-N 3 2 318.469 0.788 10 0 DCAELP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@@H]([NH3+])C(C)(C)C3)cn2)CC1 ZINC000261871344 290059184 /nfs/dbraw/zinc/05/91/84/290059184.db2.gz SZRDDVQYGGGAEK-OAHLLOKOSA-N 3 2 318.469 0.788 10 0 DCAELP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@@H]([NH3+])C(C)(C)C3)cn2)CC1 ZINC000261871344 290059186 /nfs/dbraw/zinc/05/91/86/290059186.db2.gz SZRDDVQYGGGAEK-OAHLLOKOSA-N 3 2 318.469 0.788 10 0 DCAELP C[C@H]1C[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CCS1 ZINC000171687376 300240322 /nfs/dbraw/zinc/24/03/22/300240322.db2.gz VBNAQBFFVNIYHZ-ZDUSSCGKSA-N 2 2 315.483 0.651 10 0 DCAELP C[C@H]1C[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CCS1 ZINC000171687376 300240325 /nfs/dbraw/zinc/24/03/25/300240325.db2.gz VBNAQBFFVNIYHZ-ZDUSSCGKSA-N 2 2 315.483 0.651 10 0 DCAELP CC(C)[NH2+]C[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000328603584 527735500 /nfs/dbraw/zinc/73/55/00/527735500.db2.gz GSNHZJJLCUMZAQ-CQSZACIVSA-N 2 2 319.453 0.831 10 0 DCAELP O=C([C@H]1CCC[NH2+]1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000178774200 661550452 /nfs/dbraw/zinc/55/04/52/661550452.db2.gz VUAGUTQDYBMOMC-HZPDHXFCSA-N 2 2 303.406 0.616 10 0 DCAELP C(C[C@H]1CCCO1)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000131986994 668161102 /nfs/dbraw/zinc/16/11/02/668161102.db2.gz MHPVGZIBTWCSIW-QGZVFWFLSA-N 2 2 311.470 0.942 10 0 DCAELP C(C[C@H]1CCCO1)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000131986994 668161106 /nfs/dbraw/zinc/16/11/06/668161106.db2.gz MHPVGZIBTWCSIW-QGZVFWFLSA-N 2 2 311.470 0.942 10 0 DCAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)C1CCS(=O)(=O)CC1 ZINC000187050123 299315014 /nfs/dbraw/zinc/31/50/14/299315014.db2.gz DWOIWYHTQQPDDM-ZFWWWQNUSA-N 2 2 318.483 0.636 10 0 DCAELP CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000105148583 194079494 /nfs/dbraw/zinc/07/94/94/194079494.db2.gz QLUGDPRHPLRQAU-OAHLLOKOSA-N 2 2 314.474 0.936 10 0 DCAELP C[C@H](CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000105124412 194075488 /nfs/dbraw/zinc/07/54/88/194075488.db2.gz HCQBEGCDQODJMC-HUUCEWRRSA-N 2 2 310.442 0.587 10 0 DCAELP C[C@H](CNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000105124412 194075490 /nfs/dbraw/zinc/07/54/90/194075490.db2.gz HCQBEGCDQODJMC-HUUCEWRRSA-N 2 2 310.442 0.587 10 0 DCAELP COCC[N@@H+]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC000183675604 285048141 /nfs/dbraw/zinc/04/81/41/285048141.db2.gz BLVDXPOMUFXVKB-ZDUSSCGKSA-N 2 2 306.410 0.940 10 0 DCAELP COCC[N@H+]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC000183675604 285048143 /nfs/dbraw/zinc/04/81/43/285048143.db2.gz BLVDXPOMUFXVKB-ZDUSSCGKSA-N 2 2 306.410 0.940 10 0 DCAELP C[NH+](C)CC(=O)N1Cc2c[nH+]cn2[C@@H](COc2ccccn2)C1 ZINC000248063396 257110337 /nfs/dbraw/zinc/11/03/37/257110337.db2.gz ZKWPXFPKOFKOJA-CQSZACIVSA-N 2 2 315.377 0.802 10 0 DCAELP COC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000262257262 285386332 /nfs/dbraw/zinc/38/63/32/285386332.db2.gz JCQCUCFUYLPUPI-IHRRRGAJSA-N 2 2 313.348 0.800 10 0 DCAELP COC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000262257262 285386333 /nfs/dbraw/zinc/38/63/33/285386333.db2.gz JCQCUCFUYLPUPI-IHRRRGAJSA-N 2 2 313.348 0.800 10 0 DCAELP C[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)[NH+]1CCOCC1 ZINC000247301248 395971775 /nfs/dbraw/zinc/97/17/75/395971775.db2.gz UTFWBQKLLXNPSI-PMPSAXMXSA-N 2 2 324.469 0.833 10 0 DCAELP C[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)[NH+]1CCOCC1 ZINC000247301248 395971776 /nfs/dbraw/zinc/97/17/76/395971776.db2.gz UTFWBQKLLXNPSI-PMPSAXMXSA-N 2 2 324.469 0.833 10 0 DCAELP Cn1ccnc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)[C@H]1CCOC1=O ZINC000276231084 395989409 /nfs/dbraw/zinc/98/94/09/395989409.db2.gz DZONTRYUZZNNQQ-AVGNSLFASA-N 2 2 310.373 0.580 10 0 DCAELP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@H+](C)[C@H]1CCOC1=O ZINC000276231084 395989410 /nfs/dbraw/zinc/98/94/10/395989410.db2.gz DZONTRYUZZNNQQ-AVGNSLFASA-N 2 2 310.373 0.580 10 0 DCAELP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)[C@H]1CCOC1=O ZINC000276231084 395989411 /nfs/dbraw/zinc/98/94/11/395989411.db2.gz DZONTRYUZZNNQQ-AVGNSLFASA-N 2 2 310.373 0.580 10 0 DCAELP COCC[N@@H+]1CCC[C@@H]1CN[C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261982929 396086930 /nfs/dbraw/zinc/08/69/30/396086930.db2.gz RSZWHRNYWAJCJF-TWMKSMIVSA-N 2 2 311.470 0.844 10 0 DCAELP COCC[N@H+]1CCC[C@@H]1CN[C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261982929 396086933 /nfs/dbraw/zinc/08/69/33/396086933.db2.gz RSZWHRNYWAJCJF-TWMKSMIVSA-N 2 2 311.470 0.844 10 0 DCAELP CCN(CC)C(=O)CN1CCC[N@H+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262089374 396098095 /nfs/dbraw/zinc/09/80/95/396098095.db2.gz URRWLRNKOCYFFV-KRWDZBQOSA-N 2 2 310.486 0.862 10 0 DCAELP CCN(CC)C(=O)CN1CCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262089374 396098097 /nfs/dbraw/zinc/09/80/97/396098097.db2.gz URRWLRNKOCYFFV-KRWDZBQOSA-N 2 2 310.486 0.862 10 0 DCAELP C[C@@H](c1cccnc1)[NH+]1CCN(Cc2noc(C[NH3+])n2)CC1 ZINC000262154089 396105059 /nfs/dbraw/zinc/10/50/59/396105059.db2.gz GGMGZAGKPCRSCQ-LBPRGKRZSA-N 2 2 302.382 0.802 10 0 DCAELP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)C1 ZINC000261959959 396084520 /nfs/dbraw/zinc/08/45/20/396084520.db2.gz MHFVTFKEVDWOQF-GJZGRUSLSA-N 2 2 304.394 0.275 10 0 DCAELP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)C1 ZINC000261959959 396084522 /nfs/dbraw/zinc/08/45/22/396084522.db2.gz MHFVTFKEVDWOQF-GJZGRUSLSA-N 2 2 304.394 0.275 10 0 DCAELP C[C@H](CNC(=O)[C@H]1CCCn2cc[nH+]c21)C[NH+]1CCN(C)CC1 ZINC000176299003 396153662 /nfs/dbraw/zinc/15/36/62/396153662.db2.gz CWKJCDGZIONOBB-CABCVRRESA-N 2 2 319.453 0.760 10 0 DCAELP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000262669800 396170793 /nfs/dbraw/zinc/17/07/93/396170793.db2.gz MSQADMZXUVHZQY-MCIONIFRSA-N 2 2 322.453 0.315 10 0 DCAELP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000263281708 396210902 /nfs/dbraw/zinc/21/09/02/396210902.db2.gz UJHZKWVQFXMGDP-RYUDHWBXSA-N 2 2 303.353 0.164 10 0 DCAELP CC[C@@H]1CN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000263105676 396201369 /nfs/dbraw/zinc/20/13/69/396201369.db2.gz ZUPHGUKUPZWQQG-UPJWGTAASA-N 2 2 317.380 0.553 10 0 DCAELP C[NH+](C)[C@H]1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000179286175 396225248 /nfs/dbraw/zinc/22/52/48/396225248.db2.gz ODYFGJBINNSRFF-HNNXBMFYSA-N 3 2 311.474 0.358 10 0 DCAELP CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000560998531 396627318 /nfs/dbraw/zinc/62/73/18/396627318.db2.gz CODAVVUGKYQLGB-UHFFFAOYSA-N 2 2 303.366 0.729 10 0 DCAELP CC(C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000560998531 396627322 /nfs/dbraw/zinc/62/73/22/396627322.db2.gz CODAVVUGKYQLGB-UHFFFAOYSA-N 2 2 303.366 0.729 10 0 DCAELP CO[C@H](C)[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000375558525 396772129 /nfs/dbraw/zinc/77/21/29/396772129.db2.gz RSINSDBDGXRGNO-BFHYXJOUSA-N 2 2 312.458 0.878 10 0 DCAELP CO[C@H](C)[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000375558525 396772133 /nfs/dbraw/zinc/77/21/33/396772133.db2.gz RSINSDBDGXRGNO-BFHYXJOUSA-N 2 2 312.458 0.878 10 0 DCAELP C[C@@H](C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1)n1cncn1 ZINC000329083534 396838755 /nfs/dbraw/zinc/83/87/55/396838755.db2.gz FFHPSWCTADAZJW-KGLIPLIRSA-N 2 2 320.441 0.466 10 0 DCAELP C[C@@H](C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1)n1cncn1 ZINC000329083534 396838763 /nfs/dbraw/zinc/83/87/63/396838763.db2.gz FFHPSWCTADAZJW-KGLIPLIRSA-N 2 2 320.441 0.466 10 0 DCAELP Cc1[nH+]cc2n1C[C@H](C(=O)NCc1c[nH+]c(N(C)C)n1C)CC2 ZINC000564112457 396812360 /nfs/dbraw/zinc/81/23/60/396812360.db2.gz HYJGJIDTMHJEBE-GFCCVEGCSA-N 2 2 316.409 0.870 10 0 DCAELP CO[C@H]1C[NH2+][C@@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000381869582 397274384 /nfs/dbraw/zinc/27/43/84/397274384.db2.gz YGQAUKIAUYAZGH-HZPDHXFCSA-N 2 2 303.406 0.708 10 0 DCAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000119441716 158186760 /nfs/dbraw/zinc/18/67/60/158186760.db2.gz ORIJUJODRDMCIC-JKSUJKDBSA-N 2 2 322.453 0.368 10 0 DCAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000119441716 158186764 /nfs/dbraw/zinc/18/67/64/158186764.db2.gz ORIJUJODRDMCIC-JKSUJKDBSA-N 2 2 322.453 0.368 10 0 DCAELP C[NH+]1CCN(C(=O)CC2CC[NH+](CCn3cc[nH+]c3)CC2)CC1 ZINC000131869672 158305874 /nfs/dbraw/zinc/30/58/74/158305874.db2.gz IRAKCVIXMDWLQJ-UHFFFAOYSA-N 3 2 319.453 0.759 10 0 DCAELP C[C@H]1CN(c2ccc(CNC(=O)C3([NH3+])CC3)c[nH+]2)C[C@H](C)O1 ZINC000164669770 158363983 /nfs/dbraw/zinc/36/39/83/158363983.db2.gz YZEZHXSYBFTJNF-RYUDHWBXSA-N 2 2 304.394 0.803 10 0 DCAELP CC[N@@H+]1CC[C@H]([NH2+]Cc2cn([C@@H]3COC[C@H]3OC)nn2)[C@@H](C)C1 ZINC000329719714 159114278 /nfs/dbraw/zinc/11/42/78/159114278.db2.gz AFRQFMAVLDGVKI-ARLBYUKCSA-N 2 2 323.441 0.684 10 0 DCAELP CC[N@H+]1CC[C@H]([NH2+]Cc2cn([C@@H]3COC[C@H]3OC)nn2)[C@@H](C)C1 ZINC000329719714 159114281 /nfs/dbraw/zinc/11/42/81/159114281.db2.gz AFRQFMAVLDGVKI-ARLBYUKCSA-N 2 2 323.441 0.684 10 0 DCAELP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248662282 287099532 /nfs/dbraw/zinc/09/95/32/287099532.db2.gz YFFKPJZJYZFDLS-OCCSQVGLSA-N 2 2 319.409 0.419 10 0 DCAELP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248662282 287099533 /nfs/dbraw/zinc/09/95/33/287099533.db2.gz YFFKPJZJYZFDLS-OCCSQVGLSA-N 2 2 319.409 0.419 10 0 DCAELP C[C@H](C(=O)NC(N)=O)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248662282 287099534 /nfs/dbraw/zinc/09/95/34/287099534.db2.gz YFFKPJZJYZFDLS-OCCSQVGLSA-N 2 2 319.409 0.419 10 0 DCAELP C[C@H](C(=O)NC(N)=O)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248662282 287099535 /nfs/dbraw/zinc/09/95/35/287099535.db2.gz YFFKPJZJYZFDLS-OCCSQVGLSA-N 2 2 319.409 0.419 10 0 DCAELP C[C@H](CNC(=O)N1CC[NH+](C2CC2)CC1)C[NH+]1CCN(C)CC1 ZINC000074655343 415433858 /nfs/dbraw/zinc/43/38/58/415433858.db2.gz TXEAWYJKWLUHIF-OAHLLOKOSA-N 2 2 323.485 0.360 10 0 DCAELP C[C@H](CNC(=O)N1CC[NH+](C2CC2)CC1)CN1CC[NH+](C)CC1 ZINC000074655343 415433862 /nfs/dbraw/zinc/43/38/62/415433862.db2.gz TXEAWYJKWLUHIF-OAHLLOKOSA-N 2 2 323.485 0.360 10 0 DCAELP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000120908895 415784229 /nfs/dbraw/zinc/78/42/29/415784229.db2.gz TUTYYTGEQKKLJA-AWEZNQCLSA-N 2 2 309.414 0.554 10 0 DCAELP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000120908895 415784239 /nfs/dbraw/zinc/78/42/39/415784239.db2.gz TUTYYTGEQKKLJA-AWEZNQCLSA-N 2 2 309.414 0.554 10 0 DCAELP CC(C)[NH+]1CCC([NH2+][C@H](C)C(=O)N(C)CC(=O)NC2CC2)CC1 ZINC000173619055 416062066 /nfs/dbraw/zinc/06/20/66/416062066.db2.gz CIDASNWMIIUATN-CYBMUJFWSA-N 2 2 324.469 0.574 10 0 DCAELP O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)[C@@]1(F)CC[NH2+]C1 ZINC000163869036 416017874 /nfs/dbraw/zinc/01/78/74/416017874.db2.gz GWGLHKQAGIMMJZ-NVXWUHKLSA-N 2 2 321.396 0.878 10 0 DCAELP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000174750293 416086236 /nfs/dbraw/zinc/08/62/36/416086236.db2.gz IISRUAOAJBUKMO-LSDHHAIUSA-N 2 2 312.458 0.833 10 0 DCAELP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000174750293 416086239 /nfs/dbraw/zinc/08/62/39/416086239.db2.gz IISRUAOAJBUKMO-LSDHHAIUSA-N 2 2 312.458 0.833 10 0 DCAELP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000174750293 416086243 /nfs/dbraw/zinc/08/62/43/416086243.db2.gz IISRUAOAJBUKMO-LSDHHAIUSA-N 2 2 312.458 0.833 10 0 DCAELP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000174750293 416086244 /nfs/dbraw/zinc/08/62/44/416086244.db2.gz IISRUAOAJBUKMO-LSDHHAIUSA-N 2 2 312.458 0.833 10 0 DCAELP CC[N@@H+]1CCC[C@H](NC(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)C1 ZINC000175706940 416112811 /nfs/dbraw/zinc/11/28/11/416112811.db2.gz AIKLGXVWVISWLU-HRCADAONSA-N 2 2 324.469 0.833 10 0 DCAELP CC[N@H+]1CCC[C@H](NC(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)C1 ZINC000175706940 416112815 /nfs/dbraw/zinc/11/28/15/416112815.db2.gz AIKLGXVWVISWLU-HRCADAONSA-N 2 2 324.469 0.833 10 0 DCAELP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000176003465 416119184 /nfs/dbraw/zinc/11/91/84/416119184.db2.gz HCAQLPKDCAVGDB-INIZCTEOSA-N 2 2 310.486 0.955 10 0 DCAELP CC(C)[N@@H+](C)CC(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000176003465 416119188 /nfs/dbraw/zinc/11/91/88/416119188.db2.gz HCAQLPKDCAVGDB-INIZCTEOSA-N 2 2 310.486 0.955 10 0 DCAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCCS(N)(=O)=O)C1 ZINC000179295376 416184642 /nfs/dbraw/zinc/18/46/42/416184642.db2.gz VWJBHXJABIWOQH-LBPRGKRZSA-N 2 2 300.428 0.353 10 0 DCAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCCS(N)(=O)=O)C1 ZINC000179295376 416184645 /nfs/dbraw/zinc/18/46/45/416184645.db2.gz VWJBHXJABIWOQH-LBPRGKRZSA-N 2 2 300.428 0.353 10 0 DCAELP CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)C[C@@H]1C[NH+](C)CCO1 ZINC000632417747 417072910 /nfs/dbraw/zinc/07/29/10/417072910.db2.gz MKFHGSXJALFMLD-KGLIPLIRSA-N 2 2 319.471 0.063 10 0 DCAELP CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)C[C@@H]1C[NH+](C)CCO1 ZINC000632417747 417072920 /nfs/dbraw/zinc/07/29/20/417072920.db2.gz MKFHGSXJALFMLD-KGLIPLIRSA-N 2 2 319.471 0.063 10 0 DCAELP CC[C@@H]1C[NH+](CC)CCN1S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632417747 417072929 /nfs/dbraw/zinc/07/29/29/417072929.db2.gz MKFHGSXJALFMLD-KGLIPLIRSA-N 2 2 319.471 0.063 10 0 DCAELP CC[C@@H]1C[NH+](CC)CCN1S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632417747 417072936 /nfs/dbraw/zinc/07/29/36/417072936.db2.gz MKFHGSXJALFMLD-KGLIPLIRSA-N 2 2 319.471 0.063 10 0 DCAELP O=S1(=O)CCC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000634955723 417549099 /nfs/dbraw/zinc/54/90/99/417549099.db2.gz OPEMOYFMSSENPO-UONOGXRCSA-N 2 2 304.456 0.390 10 0 DCAELP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC000363546029 262120400 /nfs/dbraw/zinc/12/04/00/262120400.db2.gz NHOXEOIJJLDZEV-RDBSUJKOSA-N 2 2 306.410 0.359 10 0 DCAELP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC000363546029 262120402 /nfs/dbraw/zinc/12/04/02/262120402.db2.gz NHOXEOIJJLDZEV-RDBSUJKOSA-N 2 2 306.410 0.359 10 0 DCAELP O=C(NC1CC1)c1noc([C@@H]2CCC[N@@H+]2CCn2cc[nH+]c2)n1 ZINC000548025221 288103266 /nfs/dbraw/zinc/10/32/66/288103266.db2.gz ZFBJAKVTGYUTJX-LBPRGKRZSA-N 2 2 316.365 0.995 10 0 DCAELP O=C(NC1CC1)c1noc([C@@H]2CCC[N@H+]2CCn2cc[nH+]c2)n1 ZINC000548025221 288103269 /nfs/dbraw/zinc/10/32/69/288103269.db2.gz ZFBJAKVTGYUTJX-LBPRGKRZSA-N 2 2 316.365 0.995 10 0 DCAELP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000333475148 300323972 /nfs/dbraw/zinc/32/39/72/300323972.db2.gz BJLVIYDCNIBEOT-KKUMJFAQSA-N 2 2 310.442 0.491 10 0 DCAELP CC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000580269846 333047020 /nfs/dbraw/zinc/04/70/20/333047020.db2.gz YPJNECSOGQVJBL-UHFFFAOYSA-N 2 2 315.377 0.827 10 0 DCAELP CC[N@H+]1CCCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000580269846 333047021 /nfs/dbraw/zinc/04/70/21/333047021.db2.gz YPJNECSOGQVJBL-UHFFFAOYSA-N 2 2 315.377 0.827 10 0 DCAELP Cn1ncc(C[NH3+])c1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000719293273 685309559 /nfs/dbraw/zinc/30/95/59/685309559.db2.gz INUYBWQWTIMBMD-UHFFFAOYSA-N 2 2 313.405 0.837 10 0 DCAELP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000273063840 685193306 /nfs/dbraw/zinc/19/33/06/685193306.db2.gz JIZOEWAHSVSUTE-CABCVRRESA-N 2 2 306.410 0.842 10 0 DCAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCC(C(N)=O)CC2)[C@H](C)C1 ZINC000175726976 1184113101 /nfs/dbraw/zinc/11/31/01/1184113101.db2.gz GAWYZUXLPKODCN-HIFRSBDPSA-N 2 2 324.469 0.372 10 0 DCAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCC(C(N)=O)CC2)[C@H](C)C1 ZINC000175726976 1184113107 /nfs/dbraw/zinc/11/31/07/1184113107.db2.gz GAWYZUXLPKODCN-HIFRSBDPSA-N 2 2 324.469 0.372 10 0 DCAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCC(C(N)=O)CC2)[C@H](C)C1 ZINC000175726976 1184113113 /nfs/dbraw/zinc/11/31/13/1184113113.db2.gz GAWYZUXLPKODCN-HIFRSBDPSA-N 2 2 324.469 0.372 10 0 DCAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCC(C(N)=O)CC2)[C@H](C)C1 ZINC000175726976 1184113119 /nfs/dbraw/zinc/11/31/19/1184113119.db2.gz GAWYZUXLPKODCN-HIFRSBDPSA-N 2 2 324.469 0.372 10 0 DCAELP C[C@H](NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)[C@H](C)[NH+]1CCOCC1 ZINC000171907499 299106963 /nfs/dbraw/zinc/10/69/63/299106963.db2.gz CBDGAWAJWLKPRG-SOUVJXGZSA-N 2 2 310.442 0.585 10 0 DCAELP C[C@H](NC(=O)N1CC[N@H+]2CCC[C@@H]2C1)[C@H](C)[NH+]1CCOCC1 ZINC000171907499 299106971 /nfs/dbraw/zinc/10/69/71/299106971.db2.gz CBDGAWAJWLKPRG-SOUVJXGZSA-N 2 2 310.442 0.585 10 0 DCAELP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC[NH+]2CCOCC2)[C@H](C)C1 ZINC000150755388 186064238 /nfs/dbraw/zinc/06/42/38/186064238.db2.gz OOMWSMQWMBPCNG-HUUCEWRRSA-N 2 2 312.458 0.690 10 0 DCAELP CC[N@H+]1CC[C@@H](N(C)C(=O)NCC[NH+]2CCOCC2)[C@H](C)C1 ZINC000150755388 186064240 /nfs/dbraw/zinc/06/42/40/186064240.db2.gz OOMWSMQWMBPCNG-HUUCEWRRSA-N 2 2 312.458 0.690 10 0 DCAELP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195291655 283354851 /nfs/dbraw/zinc/35/48/51/283354851.db2.gz RJMBEFJLORTDDA-AWEZNQCLSA-N 2 2 319.409 0.291 10 0 DCAELP CNC(=O)NC(=O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195291655 283354855 /nfs/dbraw/zinc/35/48/55/283354855.db2.gz RJMBEFJLORTDDA-AWEZNQCLSA-N 2 2 319.409 0.291 10 0 DCAELP CNC(=O)NC(=O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195291655 283354857 /nfs/dbraw/zinc/35/48/57/283354857.db2.gz RJMBEFJLORTDDA-AWEZNQCLSA-N 2 2 319.409 0.291 10 0 DCAELP CNC(=O)NC(=O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195291655 283354859 /nfs/dbraw/zinc/35/48/59/283354859.db2.gz RJMBEFJLORTDDA-AWEZNQCLSA-N 2 2 319.409 0.291 10 0 DCAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NCCC(=O)OC)C1 ZINC000105896815 194163487 /nfs/dbraw/zinc/16/34/87/194163487.db2.gz MRMKNOXKPIEDEM-CYBMUJFWSA-N 2 2 322.409 0.762 10 0 DCAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NCCC(=O)OC)C1 ZINC000105896815 194163489 /nfs/dbraw/zinc/16/34/89/194163489.db2.gz MRMKNOXKPIEDEM-CYBMUJFWSA-N 2 2 322.409 0.762 10 0 DCAELP OC[C@@H]1CCCN1c1cc(NCC[N@@H+]2CCCOCC2)nc[nH+]1 ZINC000188491530 285274543 /nfs/dbraw/zinc/27/45/43/285274543.db2.gz SUGZXXFIXHHFGF-AWEZNQCLSA-N 2 2 321.425 0.572 10 0 DCAELP OC[C@@H]1CCCN1c1cc(NCC[N@H+]2CCCOCC2)nc[nH+]1 ZINC000188491530 285274544 /nfs/dbraw/zinc/27/45/44/285274544.db2.gz SUGZXXFIXHHFGF-AWEZNQCLSA-N 2 2 321.425 0.572 10 0 DCAELP C[NH+]1CCC([N@@H+]2CCC[C@@H](NC(=O)c3csnn3)C2)CC1 ZINC000015066129 395689726 /nfs/dbraw/zinc/68/97/26/395689726.db2.gz BAXVQTIWAJLHQK-LLVKDONJSA-N 2 2 309.439 0.827 10 0 DCAELP C[NH+]1CCC([N@H+]2CCC[C@@H](NC(=O)c3csnn3)C2)CC1 ZINC000015066129 395689727 /nfs/dbraw/zinc/68/97/27/395689727.db2.gz BAXVQTIWAJLHQK-LLVKDONJSA-N 2 2 309.439 0.827 10 0 DCAELP CN(C)c1nc(N)nc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000103482411 395773824 /nfs/dbraw/zinc/77/38/24/395773824.db2.gz KHIFXJNSKXXKEP-UHFFFAOYSA-N 2 2 319.457 0.828 10 0 DCAELP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193618107 395774432 /nfs/dbraw/zinc/77/44/32/395774432.db2.gz LEYMMNUZWQMUCW-BNOWGMLFSA-N 2 2 316.405 0.606 10 0 DCAELP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193618107 395774433 /nfs/dbraw/zinc/77/44/33/395774433.db2.gz LEYMMNUZWQMUCW-BNOWGMLFSA-N 2 2 316.405 0.606 10 0 DCAELP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193618107 395774436 /nfs/dbraw/zinc/77/44/36/395774436.db2.gz LEYMMNUZWQMUCW-BNOWGMLFSA-N 2 2 316.405 0.606 10 0 DCAELP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193618107 395774438 /nfs/dbraw/zinc/77/44/38/395774438.db2.gz LEYMMNUZWQMUCW-BNOWGMLFSA-N 2 2 316.405 0.606 10 0 DCAELP CN1CC[C@H]([N@H+](C)C2CC[NH+](CCn3cccn3)CC2)C1=O ZINC000116398684 395843985 /nfs/dbraw/zinc/84/39/85/395843985.db2.gz GOGJXUQRZMUOAL-HNNXBMFYSA-N 2 2 305.426 0.510 10 0 DCAELP CN1CC[C@H]([N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)C1=O ZINC000116398684 395843988 /nfs/dbraw/zinc/84/39/88/395843988.db2.gz GOGJXUQRZMUOAL-HNNXBMFYSA-N 2 2 305.426 0.510 10 0 DCAELP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000119551467 395872447 /nfs/dbraw/zinc/87/24/47/395872447.db2.gz YCXUZYBJLAGMTQ-NSHDSACASA-N 2 2 308.382 0.875 10 0 DCAELP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCn2cc[nH+]c21 ZINC000245416403 395928649 /nfs/dbraw/zinc/92/86/49/395928649.db2.gz IDFVRRJONFSJAO-KGLIPLIRSA-N 2 2 306.410 0.988 10 0 DCAELP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCn2cc[nH+]c21 ZINC000245416403 395928651 /nfs/dbraw/zinc/92/86/51/395928651.db2.gz IDFVRRJONFSJAO-KGLIPLIRSA-N 2 2 306.410 0.988 10 0 DCAELP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2C[NH+](C)CCO2)[C@@H](C)C1 ZINC000246489359 395951400 /nfs/dbraw/zinc/95/14/00/395951400.db2.gz RMWIJGKMOJURNA-KKUMJFAQSA-N 2 2 312.458 0.689 10 0 DCAELP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]2C[NH+](C)CCO2)[C@@H](C)C1 ZINC000246489359 395951401 /nfs/dbraw/zinc/95/14/01/395951401.db2.gz RMWIJGKMOJURNA-KKUMJFAQSA-N 2 2 312.458 0.689 10 0 DCAELP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@H]2C[N@H+](C)CCO2)[C@@H](C)C1 ZINC000246489359 395951403 /nfs/dbraw/zinc/95/14/03/395951403.db2.gz RMWIJGKMOJURNA-KKUMJFAQSA-N 2 2 312.458 0.689 10 0 DCAELP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@H]2C[N@@H+](C)CCO2)[C@@H](C)C1 ZINC000246489359 395951405 /nfs/dbraw/zinc/95/14/05/395951405.db2.gz RMWIJGKMOJURNA-KKUMJFAQSA-N 2 2 312.458 0.689 10 0 DCAELP CCOC(=O)CCCNC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247068111 395965518 /nfs/dbraw/zinc/96/55/18/395965518.db2.gz WKUWLKINCHZSPP-KBPBESRZSA-N 2 2 313.442 0.860 10 0 DCAELP CCOC(=O)CCCNC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247068111 395965522 /nfs/dbraw/zinc/96/55/22/395965522.db2.gz WKUWLKINCHZSPP-KBPBESRZSA-N 2 2 313.442 0.860 10 0 DCAELP CCOC(=O)CCCNC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247068111 395965525 /nfs/dbraw/zinc/96/55/25/395965525.db2.gz WKUWLKINCHZSPP-KBPBESRZSA-N 2 2 313.442 0.860 10 0 DCAELP CCOC(=O)CCCNC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247068111 395965530 /nfs/dbraw/zinc/96/55/30/395965530.db2.gz WKUWLKINCHZSPP-KBPBESRZSA-N 2 2 313.442 0.860 10 0 DCAELP COCC[N@@H+]1CCC[C@@H]1CN[C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261982932 396086662 /nfs/dbraw/zinc/08/66/62/396086662.db2.gz RSZWHRNYWAJCJF-YYIAUSFCSA-N 2 2 311.470 0.844 10 0 DCAELP COCC[N@H+]1CCC[C@@H]1CN[C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261982932 396086664 /nfs/dbraw/zinc/08/66/64/396086664.db2.gz RSZWHRNYWAJCJF-YYIAUSFCSA-N 2 2 311.470 0.844 10 0 DCAELP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000262041097 396093244 /nfs/dbraw/zinc/09/32/44/396093244.db2.gz YNFMXFRSNCVQEO-VQHPVUNQSA-N 3 2 310.486 0.369 10 0 DCAELP Oc1ccc(Br)c(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000263158286 396203702 /nfs/dbraw/zinc/20/37/02/396203702.db2.gz DPNVXQWCVXGCHR-BXKDBHETSA-N 2 2 301.184 0.825 10 0 DCAELP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000179318477 396226053 /nfs/dbraw/zinc/22/60/53/396226053.db2.gz SVMUZDVNNGAICU-UHFFFAOYSA-N 3 2 323.485 0.502 10 0 DCAELP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1c[nH+]ccc1N(C)C ZINC000184080410 396284623 /nfs/dbraw/zinc/28/46/23/396284623.db2.gz QRAOAIJOPVZHRE-CQSZACIVSA-N 2 2 319.453 0.903 10 0 DCAELP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1c[nH+]ccc1N(C)C ZINC000184080410 396284626 /nfs/dbraw/zinc/28/46/26/396284626.db2.gz QRAOAIJOPVZHRE-CQSZACIVSA-N 2 2 319.453 0.903 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCO[C@]3(CCOC3)C2)CC1 ZINC000185208627 396322032 /nfs/dbraw/zinc/32/20/32/396322032.db2.gz VCXFGBOURLARPF-GOEBONIOSA-N 2 2 311.426 0.030 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCO[C@]3(CCOC3)C2)CC1 ZINC000185208627 396322035 /nfs/dbraw/zinc/32/20/35/396322035.db2.gz VCXFGBOURLARPF-GOEBONIOSA-N 2 2 311.426 0.030 10 0 DCAELP COC[C@H](C)C[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000187766085 396373494 /nfs/dbraw/zinc/37/34/94/396373494.db2.gz HZFYJYQZUNZVLF-OAHLLOKOSA-N 2 2 320.437 0.992 10 0 DCAELP O=C([C@H]1C[C@H](F)C[NH2+]1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000188761819 396386077 /nfs/dbraw/zinc/38/60/77/396386077.db2.gz NMRCIHWQIPQCFP-ARFHVFGLSA-N 2 2 321.396 0.564 10 0 DCAELP O=C1[C@H]([NH2+]CC2=CCCOC2)CCCN1CC[NH+]1CCOCC1 ZINC000376267205 396903948 /nfs/dbraw/zinc/90/39/48/396903948.db2.gz ALAKEMQXQBKKJC-MRXNPFEDSA-N 2 2 323.437 0.246 10 0 DCAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NCC(=O)N2CCCC2)CC[N@@H+]1C ZINC000123854768 158234213 /nfs/dbraw/zinc/23/42/13/158234213.db2.gz VJPOGDGBLCBCIJ-KGLIPLIRSA-N 2 2 310.442 0.140 10 0 DCAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NCC(=O)N2CCCC2)CC[N@H+]1C ZINC000123854768 158234214 /nfs/dbraw/zinc/23/42/14/158234214.db2.gz VJPOGDGBLCBCIJ-KGLIPLIRSA-N 2 2 310.442 0.140 10 0 DCAELP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)NCC(=O)N2CCCC2)CC[NH+]1C ZINC000123854768 158234215 /nfs/dbraw/zinc/23/42/15/158234215.db2.gz VJPOGDGBLCBCIJ-KGLIPLIRSA-N 2 2 310.442 0.140 10 0 DCAELP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)NCC(=O)N2CCCC2)CC[NH+]1C ZINC000123854768 158234216 /nfs/dbraw/zinc/23/42/16/158234216.db2.gz VJPOGDGBLCBCIJ-KGLIPLIRSA-N 2 2 310.442 0.140 10 0 DCAELP C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000171706945 158386717 /nfs/dbraw/zinc/38/67/17/158386717.db2.gz GUEPTFWJZKIACZ-HUUCEWRRSA-N 2 2 310.442 0.587 10 0 DCAELP C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000171706945 158386719 /nfs/dbraw/zinc/38/67/19/158386719.db2.gz GUEPTFWJZKIACZ-HUUCEWRRSA-N 2 2 310.442 0.587 10 0 DCAELP C[C@H]([C@H](C)NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000171907497 158388231 /nfs/dbraw/zinc/38/82/31/158388231.db2.gz CBDGAWAJWLKPRG-RRFJBIMHSA-N 2 2 310.442 0.585 10 0 DCAELP C[C@H]([C@H](C)NC(=O)N1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000171907497 158388232 /nfs/dbraw/zinc/38/82/32/158388232.db2.gz CBDGAWAJWLKPRG-RRFJBIMHSA-N 2 2 310.442 0.585 10 0 DCAELP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263273337 158868813 /nfs/dbraw/zinc/86/88/13/158868813.db2.gz SNMVRNSGERFMAP-AAEUAGOBSA-N 2 2 317.380 0.601 10 0 DCAELP C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000329079033 159058797 /nfs/dbraw/zinc/05/87/97/159058797.db2.gz BVKLZZBKUHSTQJ-OCCSQVGLSA-N 2 2 308.426 0.732 10 0 DCAELP CNC(=O)NC(=O)C[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000408390229 160098279 /nfs/dbraw/zinc/09/82/79/160098279.db2.gz SITOCIJMWXJYMQ-NSHDSACASA-N 2 2 305.382 0.464 10 0 DCAELP CNC(=O)NC(=O)C[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000408390229 160098280 /nfs/dbraw/zinc/09/82/80/160098280.db2.gz SITOCIJMWXJYMQ-NSHDSACASA-N 2 2 305.382 0.464 10 0 DCAELP C[C@H](O)[C@@H]1CCN(c2cc(N3CC[N@@H+]4CCC[C@@H]4C3)nc[nH+]2)C1 ZINC000408473107 160115887 /nfs/dbraw/zinc/11/58/87/160115887.db2.gz YWPMZYNRUIODEF-RRFJBIMHSA-N 2 2 317.437 0.968 10 0 DCAELP C[C@H](O)[C@@H]1CCN(c2cc(N3CC[N@H+]4CCC[C@@H]4C3)nc[nH+]2)C1 ZINC000408473107 160115888 /nfs/dbraw/zinc/11/58/88/160115888.db2.gz YWPMZYNRUIODEF-RRFJBIMHSA-N 2 2 317.437 0.968 10 0 DCAELP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000408473534 160116489 /nfs/dbraw/zinc/11/64/89/160116489.db2.gz SHPZGCXZMQDRJQ-HUUCEWRRSA-N 2 2 318.421 0.290 10 0 DCAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)N2CCC[C@@H](C(N)=O)C2)CC[N@@H+]1C ZINC000246982939 287089816 /nfs/dbraw/zinc/08/98/16/287089816.db2.gz SKDCLVLCEZEELB-MGPQQGTHSA-N 2 2 310.442 0.125 10 0 DCAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)N2CCC[C@@H](C(N)=O)C2)CC[N@H+]1C ZINC000246982939 287089817 /nfs/dbraw/zinc/08/98/17/287089817.db2.gz SKDCLVLCEZEELB-MGPQQGTHSA-N 2 2 310.442 0.125 10 0 DCAELP C[C@@H]1C[C@H]([N@H+](C)CC(=O)N2CCC[C@@H](C(N)=O)C2)CC[NH+]1C ZINC000246982939 287089820 /nfs/dbraw/zinc/08/98/20/287089820.db2.gz SKDCLVLCEZEELB-MGPQQGTHSA-N 2 2 310.442 0.125 10 0 DCAELP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)N2CCC[C@@H](C(N)=O)C2)CC[NH+]1C ZINC000246982939 287089822 /nfs/dbraw/zinc/08/98/22/287089822.db2.gz SKDCLVLCEZEELB-MGPQQGTHSA-N 2 2 310.442 0.125 10 0 DCAELP CN(C)c1[nH+]cccc1CNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000104783079 415627095 /nfs/dbraw/zinc/62/70/95/415627095.db2.gz BLZYLCQQERNZIG-CYBMUJFWSA-N 2 2 307.398 0.277 10 0 DCAELP CN(C)c1[nH+]cccc1CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000104783079 415627099 /nfs/dbraw/zinc/62/70/99/415627099.db2.gz BLZYLCQQERNZIG-CYBMUJFWSA-N 2 2 307.398 0.277 10 0 DCAELP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000105282319 415629170 /nfs/dbraw/zinc/62/91/70/415629170.db2.gz HXPXFFFVYRECIW-CQSZACIVSA-N 2 2 300.447 0.546 10 0 DCAELP OC[C@@H]1CCCN1c1cc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)nc[nH+]1 ZINC000333576368 415688045 /nfs/dbraw/zinc/68/80/45/415688045.db2.gz SUDYUFCWUHZOEN-RDBSUJKOSA-N 2 2 303.410 0.768 10 0 DCAELP CC(C)[N@@H+]1CCO[C@H](CN2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000111228286 415693041 /nfs/dbraw/zinc/69/30/41/415693041.db2.gz WJPARJAXUYXUDM-OAHLLOKOSA-N 2 2 307.442 0.637 10 0 DCAELP CC(C)[N@H+]1CCO[C@H](CN2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000111228286 415693044 /nfs/dbraw/zinc/69/30/44/415693044.db2.gz WJPARJAXUYXUDM-OAHLLOKOSA-N 2 2 307.442 0.637 10 0 DCAELP O=C(N[C@@H]1CCCC[NH2+]C1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000333660378 415708795 /nfs/dbraw/zinc/70/87/95/415708795.db2.gz LLADWUNCYCOXNT-HUUCEWRRSA-N 2 2 310.442 0.635 10 0 DCAELP O=C(NCCC[NH+]1CCCCC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173790747 416066413 /nfs/dbraw/zinc/06/64/13/416066413.db2.gz JYBDPBSJMXXPQM-INIZCTEOSA-N 2 2 324.469 0.979 10 0 DCAELP O=C([C@H]1CCCn2cc[nH+]c21)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000176448708 416126603 /nfs/dbraw/zinc/12/66/03/416126603.db2.gz HQZYMAZXRNKSHH-CABCVRRESA-N 2 2 318.421 0.941 10 0 DCAELP CN(C)c1cc[nH+]cc1C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000183572943 416246971 /nfs/dbraw/zinc/24/69/71/416246971.db2.gz UMRJIXLOUWJQHS-ZDUSSCGKSA-N 2 2 304.394 0.741 10 0 DCAELP Cc1cc(N2CC[C@H]([N@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)C2=O)n(C)n1 ZINC000193598567 416318513 /nfs/dbraw/zinc/31/85/13/416318513.db2.gz CDCAGTSRZWUASQ-MJBXVCDLSA-N 2 2 303.410 0.327 10 0 DCAELP Cc1cc(N2CC[C@H]([N@@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)C2=O)n(C)n1 ZINC000193598567 416318514 /nfs/dbraw/zinc/31/85/14/416318514.db2.gz CDCAGTSRZWUASQ-MJBXVCDLSA-N 2 2 303.410 0.327 10 0 DCAELP Cc1cc(N2CC[C@H]([NH+]3C[C@H]4C[N@@H+](C)C[C@H]4C3)C2=O)n(C)n1 ZINC000193598567 416318517 /nfs/dbraw/zinc/31/85/17/416318517.db2.gz CDCAGTSRZWUASQ-MJBXVCDLSA-N 2 2 303.410 0.327 10 0 DCAELP Cc1cc(N2CC[C@H]([NH+]3C[C@H]4C[N@H+](C)C[C@H]4C3)C2=O)n(C)n1 ZINC000193598567 416318518 /nfs/dbraw/zinc/31/85/18/416318518.db2.gz CDCAGTSRZWUASQ-MJBXVCDLSA-N 2 2 303.410 0.327 10 0 DCAELP O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1COCC[NH2+]1 ZINC000237900289 416329172 /nfs/dbraw/zinc/32/91/72/416329172.db2.gz HRMYWUPUZOBLAR-HOTGVXAUSA-N 2 2 303.406 0.756 10 0 DCAELP O=C(C[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1)N1CCNC1=O ZINC000432098901 417159675 /nfs/dbraw/zinc/15/96/75/417159675.db2.gz ZTDLMVJKOGSUII-GFCCVEGCSA-N 2 2 317.393 0.561 10 0 DCAELP O=C(C[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1)N1CCNC1=O ZINC000432098901 417159678 /nfs/dbraw/zinc/15/96/78/417159678.db2.gz ZTDLMVJKOGSUII-GFCCVEGCSA-N 2 2 317.393 0.561 10 0 DCAELP CC(=O)[C@@](C)(O)C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000450775068 417266858 /nfs/dbraw/zinc/26/68/58/417266858.db2.gz DSKCNNIPLZKZFX-ZWKOTPCHSA-N 2 2 320.433 0.895 10 0 DCAELP CC(=O)[C@@](C)(O)C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000450775068 417266862 /nfs/dbraw/zinc/26/68/62/417266862.db2.gz DSKCNNIPLZKZFX-ZWKOTPCHSA-N 2 2 320.433 0.895 10 0 DCAELP CC(=O)[C@@](C)(O)C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000450775068 417266867 /nfs/dbraw/zinc/26/68/67/417266867.db2.gz DSKCNNIPLZKZFX-ZWKOTPCHSA-N 2 2 320.433 0.895 10 0 DCAELP CC(=O)[C@@](C)(O)C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000450775068 417266872 /nfs/dbraw/zinc/26/68/72/417266872.db2.gz DSKCNNIPLZKZFX-ZWKOTPCHSA-N 2 2 320.433 0.895 10 0 DCAELP CC[N@@H+]1CCC[C@H](Nc2cc(N3CCN(C)C(=O)C3)[nH+]cn2)C1 ZINC000302565940 276179170 /nfs/dbraw/zinc/17/91/70/276179170.db2.gz NHRIXUNPEORNHZ-ZDUSSCGKSA-N 2 2 318.425 0.651 10 0 DCAELP CC[N@H+]1CCC[C@H](Nc2cc(N3CCN(C)C(=O)C3)[nH+]cn2)C1 ZINC000302565940 276179172 /nfs/dbraw/zinc/17/91/72/276179172.db2.gz NHRIXUNPEORNHZ-ZDUSSCGKSA-N 2 2 318.425 0.651 10 0 DCAELP CCOCC[N@@H+]1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C[C@H]1CC ZINC000263279518 276320448 /nfs/dbraw/zinc/32/04/48/276320448.db2.gz UCQWMHLIRLPFPV-CHWSQXEVSA-N 2 2 319.396 0.943 10 0 DCAELP CCOCC[N@H+]1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C[C@H]1CC ZINC000263279518 276320449 /nfs/dbraw/zinc/32/04/49/276320449.db2.gz UCQWMHLIRLPFPV-CHWSQXEVSA-N 2 2 319.396 0.943 10 0 DCAELP CNC(=O)c1ccc(NCC[NH+]2CCC([NH+](C)C)CC2)nn1 ZINC000267235712 521847408 /nfs/dbraw/zinc/84/74/08/521847408.db2.gz WRMKTKREPNOBOG-UHFFFAOYSA-N 2 2 306.414 0.274 10 0 DCAELP CC[N@H+](CC(=O)N1CC[C@@H]([NH+](C)Cc2ncccn2)C1)C1CC1 ZINC000275894024 527899965 /nfs/dbraw/zinc/89/99/65/527899965.db2.gz HWWSLAYCWJUUFF-OAHLLOKOSA-N 2 2 317.437 0.994 10 0 DCAELP CC[N@@H+](CC(=O)N1CC[C@@H]([NH+](C)Cc2ncccn2)C1)C1CC1 ZINC000275894024 527899974 /nfs/dbraw/zinc/89/99/74/527899974.db2.gz HWWSLAYCWJUUFF-OAHLLOKOSA-N 2 2 317.437 0.994 10 0 DCAELP CC[NH+](CC(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1)C1CC1 ZINC000275894024 527899979 /nfs/dbraw/zinc/89/99/79/527899979.db2.gz HWWSLAYCWJUUFF-OAHLLOKOSA-N 2 2 317.437 0.994 10 0 DCAELP CC[NH+](CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1)C1CC1 ZINC000275894024 527899982 /nfs/dbraw/zinc/89/99/82/527899982.db2.gz HWWSLAYCWJUUFF-OAHLLOKOSA-N 2 2 317.437 0.994 10 0 DCAELP CC1(OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)C[NH2+]C1 ZINC000098061582 545728685 /nfs/dbraw/zinc/72/86/85/545728685.db2.gz NZVKKTSNCYMYSM-UHFFFAOYSA-N 2 2 309.435 0.771 10 0 DCAELP CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)CC1 ZINC000322127716 546034919 /nfs/dbraw/zinc/03/49/19/546034919.db2.gz SSHKGIGDSVIKRY-CVEARBPZSA-N 2 2 322.453 0.141 10 0 DCAELP CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)CC1 ZINC000322127716 546034922 /nfs/dbraw/zinc/03/49/22/546034922.db2.gz SSHKGIGDSVIKRY-CVEARBPZSA-N 2 2 322.453 0.141 10 0 DCAELP CC(C)(CNC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)[NH+]1CCOCC1 ZINC000333393767 546080008 /nfs/dbraw/zinc/08/00/08/546080008.db2.gz PCRFEQVQKTXKBP-ZIAGYGMSSA-N 2 2 310.442 0.348 10 0 DCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CSC(=O)N1 ZINC000174718208 664699664 /nfs/dbraw/zinc/69/96/64/664699664.db2.gz NZTIEUWSILVUEQ-GFCCVEGCSA-N 2 2 314.455 0.296 10 0 DCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CSC(=O)N1 ZINC000174718208 664699665 /nfs/dbraw/zinc/69/96/65/664699665.db2.gz NZTIEUWSILVUEQ-GFCCVEGCSA-N 2 2 314.455 0.296 10 0 DCAELP C[NH+]1CCN(Nc2[nH+]cnc(Nc3nccs3)c2N)CC1 ZINC000040756879 183129280 /nfs/dbraw/zinc/12/92/80/183129280.db2.gz KXWSABPFCSNAJN-UHFFFAOYSA-N 2 2 306.399 0.833 10 0 DCAELP OC[C@@H]1CCCN1c1cc(N2CC[NH+](C3CC3)CC2)nc[nH+]1 ZINC000105788713 194127388 /nfs/dbraw/zinc/12/73/88/194127388.db2.gz DBMKHHBBPIVBFA-AWEZNQCLSA-N 2 2 303.410 0.722 10 0 DCAELP C[N@@H+]1CCO[C@H](CNC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000106561407 194230748 /nfs/dbraw/zinc/23/07/48/194230748.db2.gz MNWQSGBQURXRQC-CHWSQXEVSA-N 2 2 307.398 0.977 10 0 DCAELP C[N@H+]1CCO[C@H](CNC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000106561407 194230750 /nfs/dbraw/zinc/23/07/50/194230750.db2.gz MNWQSGBQURXRQC-CHWSQXEVSA-N 2 2 307.398 0.977 10 0 DCAELP C[N@@H+]1CCO[C@H]2CCN(C(=O)NCCCn3cc[nH+]c3)C[C@H]21 ZINC000284167607 131055567 /nfs/dbraw/zinc/05/55/67/131055567.db2.gz WVRIDGGHGZTBGB-KGLIPLIRSA-N 2 2 307.398 0.388 10 0 DCAELP C[N@H+]1CCO[C@H]2CCN(C(=O)NCCCn3cc[nH+]c3)C[C@H]21 ZINC000284167607 131055568 /nfs/dbraw/zinc/05/55/68/131055568.db2.gz WVRIDGGHGZTBGB-KGLIPLIRSA-N 2 2 307.398 0.388 10 0 DCAELP CNC(=O)[C@H]1CCCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000104672487 395779057 /nfs/dbraw/zinc/77/90/57/395779057.db2.gz SMVXGDQJTNQQQR-OAHLLOKOSA-N 2 2 322.453 0.330 10 0 DCAELP CNC(=O)[C@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000104672487 395779059 /nfs/dbraw/zinc/77/90/59/395779059.db2.gz SMVXGDQJTNQQQR-OAHLLOKOSA-N 2 2 322.453 0.330 10 0 DCAELP CN(C)c1nc(N2CCN(Cc3[nH+]ccn3C)CC2)cc[nH+]1 ZINC000134163515 395930545 /nfs/dbraw/zinc/93/05/45/395930545.db2.gz OMRVCBZIOHOCQK-UHFFFAOYSA-N 2 2 301.398 0.598 10 0 DCAELP COCCn1c(CNc2[nH+]cccc2O)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000240971672 395924008 /nfs/dbraw/zinc/92/40/08/395924008.db2.gz UAVJSRQDIAKZOO-PHIMTYICSA-N 2 2 318.381 0.842 10 0 DCAELP C[NH+](C)C[C@@H]1CN(c2cc(N3CCC[C@H]3CO)nc[nH+]2)CCO1 ZINC000246267840 395945408 /nfs/dbraw/zinc/94/54/08/395945408.db2.gz QAMRSCJEZDYHBR-UONOGXRCSA-N 2 2 321.425 0.205 10 0 DCAELP C[NH+](C)C[C@@H]1CN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)CCO1 ZINC000246267840 395945412 /nfs/dbraw/zinc/94/54/12/395945412.db2.gz QAMRSCJEZDYHBR-UONOGXRCSA-N 2 2 321.425 0.205 10 0 DCAELP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000246421502 395950051 /nfs/dbraw/zinc/95/00/51/395950051.db2.gz SOCWOQSNIISGST-CVEARBPZSA-N 2 2 324.469 0.977 10 0 DCAELP CC[N@H+]1CCC[C@@H](NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000246421502 395950052 /nfs/dbraw/zinc/95/00/52/395950052.db2.gz SOCWOQSNIISGST-CVEARBPZSA-N 2 2 324.469 0.977 10 0 DCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)CN1CCOCC1 ZINC000247196936 395968563 /nfs/dbraw/zinc/96/85/63/395968563.db2.gz WXCAEKICMSBPIQ-CVEARBPZSA-N 2 2 308.426 0.349 10 0 DCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H](O)CN1CCOCC1 ZINC000247196936 395968565 /nfs/dbraw/zinc/96/85/65/395968565.db2.gz WXCAEKICMSBPIQ-CVEARBPZSA-N 2 2 308.426 0.349 10 0 DCAELP O[C@H](CN1CCC[N@@H+](C2CCCC2)CC1)C[NH+]1CCOCC1 ZINC000247369103 395972341 /nfs/dbraw/zinc/97/23/41/395972341.db2.gz NKBCPXSJTUGGQV-QGZVFWFLSA-N 2 2 311.470 0.630 10 0 DCAELP O[C@H](CN1CCC[N@H+](C2CCCC2)CC1)C[NH+]1CCOCC1 ZINC000247369103 395972345 /nfs/dbraw/zinc/97/23/45/395972345.db2.gz NKBCPXSJTUGGQV-QGZVFWFLSA-N 2 2 311.470 0.630 10 0 DCAELP COC(=O)CNC(=O)C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000151116531 395979725 /nfs/dbraw/zinc/97/97/25/395979725.db2.gz RYYMOGMKDASQFH-CYBMUJFWSA-N 2 2 320.393 0.413 10 0 DCAELP Cn1c(C[N@H+](CC[NH3+])CCc2ccccc2)cc(=O)n(C)c1=O ZINC000261700810 396057977 /nfs/dbraw/zinc/05/79/77/396057977.db2.gz GDWJXPJEXZEODD-UHFFFAOYSA-N 2 2 316.405 0.087 10 0 DCAELP Cn1c(C[N@@H+](CC[NH3+])CCc2ccccc2)cc(=O)n(C)c1=O ZINC000261700810 396057979 /nfs/dbraw/zinc/05/79/79/396057979.db2.gz GDWJXPJEXZEODD-UHFFFAOYSA-N 2 2 316.405 0.087 10 0 DCAELP [NH3+]CC1(C(=O)NCCc2cn3ccccc3[nH+]2)CCOCC1 ZINC000262403515 396136693 /nfs/dbraw/zinc/13/66/93/396136693.db2.gz YTIJRUXQNOSFQT-UHFFFAOYSA-N 2 2 302.378 0.749 10 0 DCAELP c1nc(NCCCC[NH+]2CCOCC2)cc(N2CCOCC2)[nH+]1 ZINC000265416793 396315624 /nfs/dbraw/zinc/31/56/24/396315624.db2.gz HECARZXFMWBMMP-UHFFFAOYSA-N 2 2 321.425 0.838 10 0 DCAELP c1nc(N2CCOCC2)cc(NCCCC[NH+]2CCOCC2)[nH+]1 ZINC000265416793 396315625 /nfs/dbraw/zinc/31/56/25/396315625.db2.gz HECARZXFMWBMMP-UHFFFAOYSA-N 2 2 321.425 0.838 10 0 DCAELP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000560985693 396627730 /nfs/dbraw/zinc/62/77/30/396627730.db2.gz FVUGDXZUALAWOR-NSHDSACASA-N 2 2 312.333 0.674 10 0 DCAELP COCC[NH2+]CCCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000562461314 396665607 /nfs/dbraw/zinc/66/56/07/396665607.db2.gz RQJIHOWGRCEWNB-UHFFFAOYSA-N 2 2 319.365 0.015 10 0 DCAELP C[C@H](C[N@H+](C)Cc1ccccc1)NC[C@H](O)C[NH+]1CCOCC1 ZINC000309847611 396759541 /nfs/dbraw/zinc/75/95/41/396759541.db2.gz YTGZWLOMKDLULN-AEFFLSMTSA-N 2 2 321.465 0.790 10 0 DCAELP C[C@H](C[N@@H+](C)Cc1ccccc1)NC[C@H](O)C[NH+]1CCOCC1 ZINC000309847611 396759544 /nfs/dbraw/zinc/75/95/44/396759544.db2.gz YTGZWLOMKDLULN-AEFFLSMTSA-N 2 2 321.465 0.790 10 0 DCAELP CC1CC[NH+](CC(=O)N2CCN(C)[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000328630619 396826423 /nfs/dbraw/zinc/82/64/23/396826423.db2.gz QAQUORVUZYOMSS-CQSZACIVSA-N 2 2 305.426 0.957 10 0 DCAELP c1nc(N2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc(N2CCOCC2)[nH+]1 ZINC000634813008 396921534 /nfs/dbraw/zinc/92/15/34/396921534.db2.gz WWCSIRMKWARNNL-KGLIPLIRSA-N 2 2 303.410 0.892 10 0 DCAELP c1nc(N2CCOCC2)cc(N2CCC[C@@H]3C[NH2+]CC[C@@H]32)[nH+]1 ZINC000634813008 396921537 /nfs/dbraw/zinc/92/15/37/396921537.db2.gz WWCSIRMKWARNNL-KGLIPLIRSA-N 2 2 303.410 0.892 10 0 DCAELP CCOCC[N@H+](C)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000093312689 158121781 /nfs/dbraw/zinc/12/17/81/158121781.db2.gz KDNVSTLWBXKMJM-HNNXBMFYSA-N 2 2 315.458 0.428 10 0 DCAELP CCOCC[N@@H+](C)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000093312689 158121784 /nfs/dbraw/zinc/12/17/84/158121784.db2.gz KDNVSTLWBXKMJM-HNNXBMFYSA-N 2 2 315.458 0.428 10 0 DCAELP CCOCC[NH+](C)CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000093312689 158121786 /nfs/dbraw/zinc/12/17/86/158121786.db2.gz KDNVSTLWBXKMJM-HNNXBMFYSA-N 2 2 315.458 0.428 10 0 DCAELP CCOCC[NH+](C)CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000093312689 158121789 /nfs/dbraw/zinc/12/17/89/158121789.db2.gz KDNVSTLWBXKMJM-HNNXBMFYSA-N 2 2 315.458 0.428 10 0 DCAELP O=C(C[C@H]1CSCC[NH2+]1)NCc1cccnc1-n1cc[nH+]c1 ZINC000133456629 158319801 /nfs/dbraw/zinc/31/98/01/158319801.db2.gz ILLCMSAEGXFAAD-ZDUSSCGKSA-N 2 2 317.418 0.979 10 0 DCAELP C[N@@H+]1CCO[C@H](CNC(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000170921881 158378814 /nfs/dbraw/zinc/37/88/14/158378814.db2.gz KLYBXRZPMCUDIL-OAHLLOKOSA-N 2 2 310.442 0.491 10 0 DCAELP C[N@H+]1CCO[C@H](CNC(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000170921881 158378815 /nfs/dbraw/zinc/37/88/15/158378815.db2.gz KLYBXRZPMCUDIL-OAHLLOKOSA-N 2 2 310.442 0.491 10 0 DCAELP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000328723010 159024083 /nfs/dbraw/zinc/02/40/83/159024083.db2.gz SFCWNHPBZIIHCF-ZBFHGGJFSA-N 2 2 318.421 0.523 10 0 DCAELP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)[N@H+](C)C1 ZINC000408045553 160021147 /nfs/dbraw/zinc/02/11/47/160021147.db2.gz GTWAJNGDZCYHKF-RDBSUJKOSA-N 2 2 313.442 0.009 10 0 DCAELP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)[N@@H+](C)C1 ZINC000408045553 160021151 /nfs/dbraw/zinc/02/11/51/160021151.db2.gz GTWAJNGDZCYHKF-RDBSUJKOSA-N 2 2 313.442 0.009 10 0 DCAELP CO[C@H]1C[C@@H](C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)[NH+](C)C1 ZINC000408045553 160021153 /nfs/dbraw/zinc/02/11/53/160021153.db2.gz GTWAJNGDZCYHKF-RDBSUJKOSA-N 2 2 313.442 0.009 10 0 DCAELP CO[C@H]1C[C@@H](C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)[NH+](C)C1 ZINC000408045553 160021155 /nfs/dbraw/zinc/02/11/55/160021155.db2.gz GTWAJNGDZCYHKF-RDBSUJKOSA-N 2 2 313.442 0.009 10 0 DCAELP C[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCOCC1 ZINC000245680128 287072076 /nfs/dbraw/zinc/07/20/76/287072076.db2.gz GJILAHIAUFFAIV-ILXRZTDVSA-N 2 2 312.458 0.831 10 0 DCAELP C[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCOCC1 ZINC000245680128 287072077 /nfs/dbraw/zinc/07/20/77/287072077.db2.gz GJILAHIAUFFAIV-ILXRZTDVSA-N 2 2 312.458 0.831 10 0 DCAELP CC(=O)N[C@@H]1CCCN(C(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000246515013 287084831 /nfs/dbraw/zinc/08/48/31/287084831.db2.gz BNVQPJAINAZLDJ-NUEKZKHPSA-N 2 2 324.469 0.528 10 0 DCAELP CC(=O)N[C@@H]1CCCN(C(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000246515013 287084833 /nfs/dbraw/zinc/08/48/33/287084833.db2.gz BNVQPJAINAZLDJ-NUEKZKHPSA-N 2 2 324.469 0.528 10 0 DCAELP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000246515013 287084834 /nfs/dbraw/zinc/08/48/34/287084834.db2.gz BNVQPJAINAZLDJ-NUEKZKHPSA-N 2 2 324.469 0.528 10 0 DCAELP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000246515013 287084838 /nfs/dbraw/zinc/08/48/38/287084838.db2.gz BNVQPJAINAZLDJ-NUEKZKHPSA-N 2 2 324.469 0.528 10 0 DCAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC000247046720 287090667 /nfs/dbraw/zinc/09/06/67/287090667.db2.gz NZTBLUMQDARDNP-GOEBONIOSA-N 2 2 324.469 0.339 10 0 DCAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC000247046720 287090670 /nfs/dbraw/zinc/09/06/70/287090670.db2.gz NZTBLUMQDARDNP-GOEBONIOSA-N 2 2 324.469 0.339 10 0 DCAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC000247046720 287090672 /nfs/dbraw/zinc/09/06/72/287090672.db2.gz NZTBLUMQDARDNP-GOEBONIOSA-N 2 2 324.469 0.339 10 0 DCAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC000247046720 287090673 /nfs/dbraw/zinc/09/06/73/287090673.db2.gz NZTBLUMQDARDNP-GOEBONIOSA-N 2 2 324.469 0.339 10 0 DCAELP C[NH+](C)CCOc1ccccc1C(=O)NCC[NH+]1CCOCC1 ZINC000060760200 415346809 /nfs/dbraw/zinc/34/68/09/415346809.db2.gz ZRHIDODNNSYVIA-UHFFFAOYSA-N 2 2 321.421 0.689 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](c3nnc[nH]3)C2)CC1 ZINC000333298922 415604749 /nfs/dbraw/zinc/60/47/49/415604749.db2.gz MDKRXPMXLRPOHI-KBPBESRZSA-N 2 2 320.441 0.537 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](c3nnc[nH]3)C2)CC1 ZINC000333298922 415604754 /nfs/dbraw/zinc/60/47/54/415604754.db2.gz MDKRXPMXLRPOHI-KBPBESRZSA-N 2 2 320.441 0.537 10 0 DCAELP C[N@@H+]1CCO[C@H](CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000105281629 415630733 /nfs/dbraw/zinc/63/07/33/415630733.db2.gz IUQMKAWSOPPUTA-MRXNPFEDSA-N 2 2 324.469 0.834 10 0 DCAELP C[N@H+]1CCO[C@H](CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000105281629 415630736 /nfs/dbraw/zinc/63/07/36/415630736.db2.gz IUQMKAWSOPPUTA-MRXNPFEDSA-N 2 2 324.469 0.834 10 0 DCAELP c1cn2c([nH+]1)CN(c1nc(N[C@@H]3CCCOC3)cc[nH+]1)CC2 ZINC000333185918 415578833 /nfs/dbraw/zinc/57/88/33/415578833.db2.gz UFQYXUSIXGROLQ-GFCCVEGCSA-N 2 2 300.366 1.284 10 0 DCAELP CC(=O)N1CC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)[C@H](C)C1 ZINC000357299720 416057999 /nfs/dbraw/zinc/05/79/99/416057999.db2.gz GHNMQNDTBRHHMC-CYBMUJFWSA-N 2 2 322.453 0.282 10 0 DCAELP CC(=O)N1CC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)[C@H](C)C1 ZINC000357299720 416058000 /nfs/dbraw/zinc/05/80/00/416058000.db2.gz GHNMQNDTBRHHMC-CYBMUJFWSA-N 2 2 322.453 0.282 10 0 DCAELP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173823092 416065226 /nfs/dbraw/zinc/06/52/26/416065226.db2.gz WKIQJSZOYNDWOJ-CABCVRRESA-N 2 2 312.458 0.833 10 0 DCAELP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173823092 416065229 /nfs/dbraw/zinc/06/52/29/416065229.db2.gz WKIQJSZOYNDWOJ-CABCVRRESA-N 2 2 312.458 0.833 10 0 DCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177399101 416143767 /nfs/dbraw/zinc/14/37/67/416143767.db2.gz ARBVQXLHHNCPTB-HUUCEWRRSA-N 2 2 321.425 0.778 10 0 DCAELP Cn1cc([C@H]2C[NH2+]CCN2C(=O)Cc2cn3ccccc3[nH+]2)cn1 ZINC000181328105 416205643 /nfs/dbraw/zinc/20/56/43/416205643.db2.gz SEMMDGFYYGKTKM-OAHLLOKOSA-N 2 2 324.388 0.783 10 0 DCAELP Cn1cc[nH+]c1N1CC[NH+](C[C@@H](O)COC[C@H]2CCCO2)CC1 ZINC000534109914 416493267 /nfs/dbraw/zinc/49/32/67/416493267.db2.gz IWJOKBYBAJUNGD-HUUCEWRRSA-N 2 2 324.425 0.099 10 0 DCAELP CN(Cc1cnn(C)c1)C(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000531427578 417622374 /nfs/dbraw/zinc/62/23/74/417622374.db2.gz LMBBCTCULPRALE-UHFFFAOYSA-N 2 2 316.409 0.981 10 0 DCAELP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000329202139 279113466 /nfs/dbraw/zinc/11/34/66/279113466.db2.gz CCUOSYXQPMPIPE-VNHYZAJKSA-N 2 2 306.410 0.359 10 0 DCAELP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000329202139 279113469 /nfs/dbraw/zinc/11/34/69/279113469.db2.gz CCUOSYXQPMPIPE-VNHYZAJKSA-N 2 2 306.410 0.359 10 0 DCAELP CC[C@@H]1CN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C[C@H]1[NH+]1CCOCC1 ZINC000263105664 280366597 /nfs/dbraw/zinc/36/65/97/280366597.db2.gz ZUPHGUKUPZWQQG-FRRDWIJNSA-N 2 2 317.380 0.553 10 0 DCAELP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000247512874 297098534 /nfs/dbraw/zinc/09/85/34/297098534.db2.gz VZTLHFQTBINDQB-CABCVRRESA-N 2 2 324.469 0.975 10 0 DCAELP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000247512874 297098535 /nfs/dbraw/zinc/09/85/35/297098535.db2.gz VZTLHFQTBINDQB-CABCVRRESA-N 2 2 324.469 0.975 10 0 DCAELP C[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000247512874 297098536 /nfs/dbraw/zinc/09/85/36/297098536.db2.gz VZTLHFQTBINDQB-CABCVRRESA-N 2 2 324.469 0.975 10 0 DCAELP C[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000247512874 297098538 /nfs/dbraw/zinc/09/85/38/297098538.db2.gz VZTLHFQTBINDQB-CABCVRRESA-N 2 2 324.469 0.975 10 0 DCAELP CC[C@H](CO)[NH+]1CCN(Cc2[nH+]ccc(OC)c2OC)CC1 ZINC000190606621 522209148 /nfs/dbraw/zinc/20/91/48/522209148.db2.gz MSMZWIOHFJFFTA-CYBMUJFWSA-N 2 2 309.410 0.987 10 0 DCAELP O=S(=O)([C@H]1CC[N@H+](CCC[NH+]2CCCC2)C1)N1CCCC1 ZINC000163364645 527262669 /nfs/dbraw/zinc/26/26/69/527262669.db2.gz XWCLAQMSRSJCQB-HNNXBMFYSA-N 2 2 315.483 0.972 10 0 DCAELP O=S(=O)([C@H]1CC[N@@H+](CCC[NH+]2CCCC2)C1)N1CCCC1 ZINC000163364645 527262670 /nfs/dbraw/zinc/26/26/70/527262670.db2.gz XWCLAQMSRSJCQB-HNNXBMFYSA-N 2 2 315.483 0.972 10 0 DCAELP C[C@H](CC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000248044706 545968424 /nfs/dbraw/zinc/96/84/24/545968424.db2.gz URTBPNBUKZVNPX-PMPSAXMXSA-N 2 2 309.454 0.945 10 0 DCAELP CC(C)(C)OC(=O)N1CC[NH2+][C@H](c2cnnn2[C@H]2CC[NH2+]C2)C1 ZINC000685952191 548749133 /nfs/dbraw/zinc/74/91/33/548749133.db2.gz ZVFHWVQVIBETLL-RYUDHWBXSA-N 2 2 322.413 0.694 10 0 DCAELP C[C@@H]1C[N@H+](Cc2cnc(NC(=O)C[NH+](C)C)s2)CC[C@@H]1[NH3+] ZINC000725273041 548750282 /nfs/dbraw/zinc/75/02/82/548750282.db2.gz XPLCDERITYDLIV-PWSUYJOCSA-N 3 2 311.455 0.812 10 0 DCAELP C[C@@H]1C[N@@H+](Cc2cnc(NC(=O)C[NH+](C)C)s2)CC[C@@H]1[NH3+] ZINC000725273041 548750286 /nfs/dbraw/zinc/75/02/86/548750286.db2.gz XPLCDERITYDLIV-PWSUYJOCSA-N 3 2 311.455 0.812 10 0 DCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COCc2[nH]cc[nH+]2)C1 ZINC000180054867 199111843 /nfs/dbraw/zinc/11/18/43/199111843.db2.gz YXDZCMJTOGFQNX-CYBMUJFWSA-N 2 2 310.398 0.399 10 0 DCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)COCc2[nH]cc[nH+]2)C1 ZINC000180054867 199111845 /nfs/dbraw/zinc/11/18/45/199111845.db2.gz YXDZCMJTOGFQNX-CYBMUJFWSA-N 2 2 310.398 0.399 10 0 DCAELP C[NH+]1CCC(CNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000569756066 291494607 /nfs/dbraw/zinc/49/46/07/291494607.db2.gz WBPNQBUFKXBXPT-UHFFFAOYSA-N 2 2 315.377 0.731 10 0 DCAELP COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000248866236 284214772 /nfs/dbraw/zinc/21/47/72/284214772.db2.gz TVHWVEXTFCWOPR-IPYPFGDCSA-N 2 2 309.410 0.034 10 0 DCAELP COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000248866236 284214774 /nfs/dbraw/zinc/21/47/74/284214774.db2.gz TVHWVEXTFCWOPR-IPYPFGDCSA-N 2 2 309.410 0.034 10 0 DCAELP O=C(NCCC[NH+]1CCOCC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105070196 194069259 /nfs/dbraw/zinc/06/92/59/194069259.db2.gz QVWFTRIIQQHVHL-HNNXBMFYSA-N 2 2 310.442 0.588 10 0 DCAELP O=C(NCCC[NH+]1CCOCC1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000105070196 194069260 /nfs/dbraw/zinc/06/92/60/194069260.db2.gz QVWFTRIIQQHVHL-HNNXBMFYSA-N 2 2 310.442 0.588 10 0 DCAELP CC(C)NC(=O)C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000109789852 194285907 /nfs/dbraw/zinc/28/59/07/194285907.db2.gz DBWMFXHMCZFLSH-UHFFFAOYSA-N 2 2 324.469 0.387 10 0 DCAELP O=C1CNC(=O)N1CCC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000065473975 184351587 /nfs/dbraw/zinc/35/15/87/184351587.db2.gz NWLBYRKDZOTXCY-ZDUSSCGKSA-N 2 2 317.393 0.757 10 0 DCAELP O=C1CNC(=O)N1CCC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000065473975 184351588 /nfs/dbraw/zinc/35/15/88/184351588.db2.gz NWLBYRKDZOTXCY-ZDUSSCGKSA-N 2 2 317.393 0.757 10 0 DCAELP CC[N@@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000171104509 285267471 /nfs/dbraw/zinc/26/74/71/285267471.db2.gz HMQNIZSJTIWQFS-AWEZNQCLSA-N 2 2 312.458 0.881 10 0 DCAELP CC[N@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000171104509 285267474 /nfs/dbraw/zinc/26/74/74/285267474.db2.gz HMQNIZSJTIWQFS-AWEZNQCLSA-N 2 2 312.458 0.881 10 0 DCAELP CC[NH+]1CCC[C@H](NC(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000171104509 285267475 /nfs/dbraw/zinc/26/74/75/285267475.db2.gz HMQNIZSJTIWQFS-AWEZNQCLSA-N 2 2 312.458 0.881 10 0 DCAELP CC[NH+]1CCC[C@H](NC(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000171104509 285267476 /nfs/dbraw/zinc/26/74/76/285267476.db2.gz HMQNIZSJTIWQFS-AWEZNQCLSA-N 2 2 312.458 0.881 10 0 DCAELP C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCCCn3cc[nH+]c3)C[C@H]21 ZINC000284167614 131055428 /nfs/dbraw/zinc/05/54/28/131055428.db2.gz WVRIDGGHGZTBGB-ZIAGYGMSSA-N 2 2 307.398 0.388 10 0 DCAELP C[N@H+]1CCO[C@@H]2CCN(C(=O)NCCCn3cc[nH+]c3)C[C@H]21 ZINC000284167614 131055429 /nfs/dbraw/zinc/05/54/29/131055429.db2.gz WVRIDGGHGZTBGB-ZIAGYGMSSA-N 2 2 307.398 0.388 10 0 DCAELP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000246956813 395961550 /nfs/dbraw/zinc/96/15/50/395961550.db2.gz KXKLZIIKAAIZGA-HZPDHXFCSA-N 2 2 324.469 0.977 10 0 DCAELP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000246956813 395961552 /nfs/dbraw/zinc/96/15/52/395961552.db2.gz KXKLZIIKAAIZGA-HZPDHXFCSA-N 2 2 324.469 0.977 10 0 DCAELP C[NH+](C)[C@@H]1CCN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)C1 ZINC000277464808 396069272 /nfs/dbraw/zinc/06/92/72/396069272.db2.gz OKVNKIMKYFFUHW-ZIAGYGMSSA-N 2 2 305.426 0.968 10 0 DCAELP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173843219 396136320 /nfs/dbraw/zinc/13/63/20/396136320.db2.gz VQPWEHPLQBLBGS-ZBFHGGJFSA-N 2 2 322.453 0.587 10 0 DCAELP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173843219 396136325 /nfs/dbraw/zinc/13/63/25/396136325.db2.gz VQPWEHPLQBLBGS-ZBFHGGJFSA-N 2 2 322.453 0.587 10 0 DCAELP CN(C(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1)C1CCCCC1 ZINC000261934809 396080905 /nfs/dbraw/zinc/08/09/05/396080905.db2.gz KEGYCJXAGXZBML-UHFFFAOYSA-N 2 2 310.442 0.141 10 0 DCAELP CN(C(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1)C1CCCCC1 ZINC000261934809 396080907 /nfs/dbraw/zinc/08/09/07/396080907.db2.gz KEGYCJXAGXZBML-UHFFFAOYSA-N 2 2 310.442 0.141 10 0 DCAELP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)C1 ZINC000261959961 396084278 /nfs/dbraw/zinc/08/42/78/396084278.db2.gz MHFVTFKEVDWOQF-HUUCEWRRSA-N 2 2 304.394 0.275 10 0 DCAELP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)C1 ZINC000261959961 396084281 /nfs/dbraw/zinc/08/42/81/396084281.db2.gz MHFVTFKEVDWOQF-HUUCEWRRSA-N 2 2 304.394 0.275 10 0 DCAELP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261965985 396084794 /nfs/dbraw/zinc/08/47/94/396084794.db2.gz HTGSNVPLAMXQMC-NVXWUHKLSA-N 2 2 308.470 0.615 10 0 DCAELP O=C([C@H]1CC(F)(F)C[NH2+]1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000263281705 396211279 /nfs/dbraw/zinc/21/12/79/396211279.db2.gz UJHZKWVQFXMGDP-NWDGAFQWSA-N 2 2 303.353 0.164 10 0 DCAELP CC(C)OCC[NH+]1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000262737710 396177403 /nfs/dbraw/zinc/17/74/03/396177403.db2.gz CHDAEWHHUYMWMH-GFCCVEGCSA-N 2 2 305.369 0.553 10 0 DCAELP C[NH+]1CCC(CNC(=O)C2(O)CCC2)([NH+]2CCCCC2)CC1 ZINC000187329387 396367847 /nfs/dbraw/zinc/36/78/47/396367847.db2.gz FLLXXPNDEROKMF-UHFFFAOYSA-N 2 2 309.454 0.968 10 0 DCAELP C[C@H]1CCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)C[C@H]1n1cc[nH+]c1 ZINC000188948879 396389070 /nfs/dbraw/zinc/38/90/70/396389070.db2.gz FKHADGJSNCNDKL-SMDDNHRTSA-N 2 2 314.393 0.975 10 0 DCAELP C[C@@H]([NH3+])CCC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000193322485 396448915 /nfs/dbraw/zinc/44/89/15/396448915.db2.gz HYISRTCPPOGMIK-ZIAGYGMSSA-N 2 2 310.442 0.269 10 0 DCAELP Cn1ncc2c1nc(N1CC[C@@H](C[NH+]3CCCC3)C1)[nH+]c2N ZINC000293006331 396581513 /nfs/dbraw/zinc/58/15/13/396581513.db2.gz HVWJFYVYARBDSM-NSHDSACASA-N 2 2 301.398 0.868 10 0 DCAELP Cc1[nH+]ccn1-c1cncc(N2CC[NH+](C[C@@H](C)O)CC2)n1 ZINC000302522058 396719406 /nfs/dbraw/zinc/71/94/06/396719406.db2.gz JACJPTJTQJSHBE-GFCCVEGCSA-N 2 2 302.382 0.474 10 0 DCAELP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)[N@H+](C)C1 ZINC000408045714 397345067 /nfs/dbraw/zinc/34/50/67/397345067.db2.gz HZEMHKCNWAXUIF-RDBSUJKOSA-N 2 2 313.442 0.009 10 0 DCAELP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)[N@@H+](C)C1 ZINC000408045714 397345072 /nfs/dbraw/zinc/34/50/72/397345072.db2.gz HZEMHKCNWAXUIF-RDBSUJKOSA-N 2 2 313.442 0.009 10 0 DCAELP CO[C@H]1C[C@@H](C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)[NH+](C)C1 ZINC000408045714 397345074 /nfs/dbraw/zinc/34/50/74/397345074.db2.gz HZEMHKCNWAXUIF-RDBSUJKOSA-N 2 2 313.442 0.009 10 0 DCAELP CO[C@H]1C[C@@H](C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)[NH+](C)C1 ZINC000408045714 397345076 /nfs/dbraw/zinc/34/50/76/397345076.db2.gz HZEMHKCNWAXUIF-RDBSUJKOSA-N 2 2 313.442 0.009 10 0 DCAELP CN(C(=O)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)C1CC1 ZINC000109753470 158138280 /nfs/dbraw/zinc/13/82/80/158138280.db2.gz FIERNPGUNAUPBE-MRXNPFEDSA-N 2 2 308.470 0.709 10 0 DCAELP CN(C(=O)C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1)C1CC1 ZINC000109753470 158138282 /nfs/dbraw/zinc/13/82/82/158138282.db2.gz FIERNPGUNAUPBE-MRXNPFEDSA-N 2 2 308.470 0.709 10 0 DCAELP C[NH+](C)CC[C@@H](NC(=O)NC[C@H]1C[N@H+](C)CCO1)C(C)(C)C ZINC000116429757 158166382 /nfs/dbraw/zinc/16/63/82/158166382.db2.gz FEGRBZXSWHTULO-UONOGXRCSA-N 2 2 314.474 0.983 10 0 DCAELP C[NH+](C)CC[C@@H](NC(=O)NC[C@H]1C[N@@H+](C)CCO1)C(C)(C)C ZINC000116429757 158166383 /nfs/dbraw/zinc/16/63/83/158166383.db2.gz FEGRBZXSWHTULO-UONOGXRCSA-N 2 2 314.474 0.983 10 0 DCAELP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCNS(C)(=O)=O)C1 ZINC000119986591 158192257 /nfs/dbraw/zinc/19/22/57/158192257.db2.gz MRGIKQWZSVKEGA-GFCCVEGCSA-N 2 2 300.428 0.224 10 0 DCAELP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000119986591 158192258 /nfs/dbraw/zinc/19/22/58/158192258.db2.gz MRGIKQWZSVKEGA-GFCCVEGCSA-N 2 2 300.428 0.224 10 0 DCAELP Cn1cc[nH+]c1CC1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000122020975 158217263 /nfs/dbraw/zinc/21/72/63/158217263.db2.gz BYFWKOBAGXHNQM-AWEZNQCLSA-N 2 2 306.410 0.532 10 0 DCAELP Cn1cc[nH+]c1CC1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000122020975 158217264 /nfs/dbraw/zinc/21/72/64/158217264.db2.gz BYFWKOBAGXHNQM-AWEZNQCLSA-N 2 2 306.410 0.532 10 0 DCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3CCC[C@@H]3[NH3+])CC2)CC1 ZINC000166561367 158366787 /nfs/dbraw/zinc/36/67/87/158366787.db2.gz XUBCOPFIXWWESR-HOTGVXAUSA-N 3 2 308.470 0.789 10 0 DCAELP C[C@@H](CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1)[NH+]1CCOCC1 ZINC000171038217 158379901 /nfs/dbraw/zinc/37/99/01/158379901.db2.gz KXHUTTZPWCVPRP-GJZGRUSLSA-N 2 2 310.442 0.587 10 0 DCAELP CC1(C)COCC[N@@H+]1CCNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000171687025 158385948 /nfs/dbraw/zinc/38/59/48/158385948.db2.gz KCHJHNCMCFGHMD-UHFFFAOYSA-N 2 2 310.442 0.587 10 0 DCAELP CC1(C)COCC[N@H+]1CCNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000171687025 158385950 /nfs/dbraw/zinc/38/59/50/158385950.db2.gz KCHJHNCMCFGHMD-UHFFFAOYSA-N 2 2 310.442 0.587 10 0 DCAELP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171907912 158388211 /nfs/dbraw/zinc/38/82/11/158388211.db2.gz ZAIUQPGQNXJTGP-LSDHHAIUSA-N 2 2 309.458 0.112 10 0 DCAELP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171907912 158388214 /nfs/dbraw/zinc/38/82/14/158388214.db2.gz ZAIUQPGQNXJTGP-LSDHHAIUSA-N 2 2 309.458 0.112 10 0 DCAELP Cc1[nH+]ccn1-c1cncc(N2CC[N@@H+]3CCOC[C@H]3C2)n1 ZINC000329410206 159089689 /nfs/dbraw/zinc/08/96/89/159089689.db2.gz DPOWCBDOSXFFMY-CYBMUJFWSA-N 2 2 300.366 0.492 10 0 DCAELP Cc1[nH+]ccn1-c1cncc(N2CC[N@H+]3CCOC[C@H]3C2)n1 ZINC000329410206 159089691 /nfs/dbraw/zinc/08/96/91/159089691.db2.gz DPOWCBDOSXFFMY-CYBMUJFWSA-N 2 2 300.366 0.492 10 0 DCAELP C[NH+]1CCN(C(=O)Cc2noc([C@@H]3CCC[N@@H+]3C3CC3)n2)CC1 ZINC000329669699 159110750 /nfs/dbraw/zinc/11/07/50/159110750.db2.gz MLODVJCMPYQMEB-ZDUSSCGKSA-N 2 2 319.409 0.685 10 0 DCAELP C[NH+]1CCN(C(=O)Cc2noc([C@@H]3CCC[N@H+]3C3CC3)n2)CC1 ZINC000329669699 159110751 /nfs/dbraw/zinc/11/07/51/159110751.db2.gz MLODVJCMPYQMEB-ZDUSSCGKSA-N 2 2 319.409 0.685 10 0 DCAELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000177359388 287054694 /nfs/dbraw/zinc/05/46/94/287054694.db2.gz AARUQTCDOWLKIP-HUUCEWRRSA-N 2 2 312.458 0.833 10 0 DCAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000177359388 287054697 /nfs/dbraw/zinc/05/46/97/287054697.db2.gz AARUQTCDOWLKIP-HUUCEWRRSA-N 2 2 312.458 0.833 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](NC(C)=O)C2)CC1 ZINC000249721375 287117736 /nfs/dbraw/zinc/11/77/36/287117736.db2.gz MOZHYFNQNHEDMK-UKRRQHHQSA-N 2 2 310.442 0.140 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](NC(C)=O)C2)CC1 ZINC000249721375 287117737 /nfs/dbraw/zinc/11/77/37/287117737.db2.gz MOZHYFNQNHEDMK-UKRRQHHQSA-N 2 2 310.442 0.140 10 0 DCAELP C[C@H](CNC(=O)N1CCC(n2cc[nH+]c2)CC1)[NH+]1CCOCC1 ZINC000103305037 415616843 /nfs/dbraw/zinc/61/68/43/415616843.db2.gz RPDVGTFYFZUPLT-CQSZACIVSA-N 2 2 321.425 0.950 10 0 DCAELP C[C@H]1CC[NH2+]C[C@H]1Nc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000333910142 415765567 /nfs/dbraw/zinc/76/55/67/415765567.db2.gz LBUHPGSEWRNVQE-NWDGAFQWSA-N 2 2 304.398 0.165 10 0 DCAELP CC[C@H](C(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1)[NH+](C)C ZINC000164436600 416017854 /nfs/dbraw/zinc/01/78/54/416017854.db2.gz GLFQSSBQZQHRDR-CHWSQXEVSA-N 2 2 320.441 0.944 10 0 DCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCCOC1 ZINC000171612169 416040915 /nfs/dbraw/zinc/04/09/15/416040915.db2.gz KVJDTRFVCYMSCZ-CQSZACIVSA-N 2 2 312.458 0.833 10 0 DCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCCOC1 ZINC000171612169 416040917 /nfs/dbraw/zinc/04/09/17/416040917.db2.gz KVJDTRFVCYMSCZ-CQSZACIVSA-N 2 2 312.458 0.833 10 0 DCAELP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000175795086 416114123 /nfs/dbraw/zinc/11/41/23/416114123.db2.gz WKDABLRBMHDYPC-CABCVRRESA-N 2 2 313.442 0.226 10 0 DCAELP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000175795086 416114126 /nfs/dbraw/zinc/11/41/26/416114126.db2.gz WKDABLRBMHDYPC-CABCVRRESA-N 2 2 313.442 0.226 10 0 DCAELP C[NH+]1CCN(C(=O)C[NH+]2CCC(Nc3cccnn3)CC2)CC1 ZINC000180476150 416198393 /nfs/dbraw/zinc/19/83/93/416198393.db2.gz KBHNZXFKJMNDFW-UHFFFAOYSA-N 2 2 318.425 0.127 10 0 DCAELP Cc1cc(N2CCC[C@@H]([NH2+]C3CC[NH+](C)CC3)C2=O)n(C)n1 ZINC000182356896 416218608 /nfs/dbraw/zinc/21/86/08/416218608.db2.gz BIOFFVIBNXSHEO-CQSZACIVSA-N 2 2 305.426 0.908 10 0 DCAELP O=C([C@@H]1CCCn2cc[nH+]c21)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178125889 416157745 /nfs/dbraw/zinc/15/77/45/416157745.db2.gz RVFLUJWFEWVLLQ-LSDHHAIUSA-N 2 2 318.421 0.941 10 0 DCAELP C(CN1CC[NH+](C2CC2)CC1)OCCN1CC[NH+](C2CC2)CC1 ZINC000178613565 416165836 /nfs/dbraw/zinc/16/58/36/416165836.db2.gz XJCAZNNFGQCMBJ-UHFFFAOYSA-N 2 2 322.497 0.563 10 0 DCAELP C(CN1CC[NH+](C2CC2)CC1)OCC[NH+]1CCN(C2CC2)CC1 ZINC000178613565 416165847 /nfs/dbraw/zinc/16/58/47/416165847.db2.gz XJCAZNNFGQCMBJ-UHFFFAOYSA-N 2 2 322.497 0.563 10 0 DCAELP Cn1ncc2c1nc[nH+]c2N1CCN(c2ccc(N)[nH+]c2)CC1 ZINC000193702468 416318480 /nfs/dbraw/zinc/31/84/80/416318480.db2.gz TZBZBCFUUMQEDI-UHFFFAOYSA-N 2 2 310.365 0.667 10 0 DCAELP Cc1nn2c(C[NH2+]C[C@H]3C[NH2+]C[C@@H]3O)c(C(C)C)nc2s1 ZINC000263263109 416337512 /nfs/dbraw/zinc/33/75/12/416337512.db2.gz RFQLLCHARGLHTI-JQWIXIFHSA-N 2 2 309.439 0.893 10 0 DCAELP CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCCCC[C@@H]([NH3+])C2)C1 ZINC000631834033 416754698 /nfs/dbraw/zinc/75/46/98/416754698.db2.gz NIYLWQZYKVWYGC-UONOGXRCSA-N 2 2 303.472 0.861 10 0 DCAELP CS(=O)(=O)N1CCC[C@@H](C[N@H+]2CCCCC[C@@H]([NH3+])C2)C1 ZINC000631834033 416754705 /nfs/dbraw/zinc/75/47/05/416754705.db2.gz NIYLWQZYKVWYGC-UONOGXRCSA-N 2 2 303.472 0.861 10 0 DCAELP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000638274381 417399700 /nfs/dbraw/zinc/39/97/00/417399700.db2.gz HTQJKUPGKYBKJB-HZPDHXFCSA-N 2 2 304.438 0.608 10 0 DCAELP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)CN1CC[NH2+]CC1=O ZINC000646293740 417829284 /nfs/dbraw/zinc/82/92/84/417829284.db2.gz FBBXGKRWGCXRJC-AWEZNQCLSA-N 2 2 318.421 0.055 10 0 DCAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CN1CC[NH2+]CC1=O ZINC000646293740 417829291 /nfs/dbraw/zinc/82/92/91/417829291.db2.gz FBBXGKRWGCXRJC-AWEZNQCLSA-N 2 2 318.421 0.055 10 0 DCAELP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000408389922 277236542 /nfs/dbraw/zinc/23/65/42/277236542.db2.gz PIKOTMKHMXSXEU-VXGBXAGGSA-N 2 2 319.409 0.853 10 0 DCAELP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000408389922 277236543 /nfs/dbraw/zinc/23/65/43/277236543.db2.gz PIKOTMKHMXSXEU-VXGBXAGGSA-N 2 2 319.409 0.853 10 0 DCAELP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173800025 289564071 /nfs/dbraw/zinc/56/40/71/289564071.db2.gz HHVAFAYJSJFEHB-HZPDHXFCSA-N 2 2 324.469 0.977 10 0 DCAELP C[N@@H+]1CCO[C@@H](C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000245495827 290073980 /nfs/dbraw/zinc/07/39/80/290073980.db2.gz QFOSOWPAOBGUEV-LSDHHAIUSA-N 2 2 311.426 0.030 10 0 DCAELP C[N@H+]1CCO[C@@H](C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000245495827 290073983 /nfs/dbraw/zinc/07/39/83/290073983.db2.gz QFOSOWPAOBGUEV-LSDHHAIUSA-N 2 2 311.426 0.030 10 0 DCAELP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000247512881 300319156 /nfs/dbraw/zinc/31/91/56/300319156.db2.gz VZTLHFQTBINDQB-GJZGRUSLSA-N 2 2 324.469 0.975 10 0 DCAELP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000247512881 300319159 /nfs/dbraw/zinc/31/91/59/300319159.db2.gz VZTLHFQTBINDQB-GJZGRUSLSA-N 2 2 324.469 0.975 10 0 DCAELP C[C@H]1C[NH+]2CCC[C@H]2CN1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000247512881 300319162 /nfs/dbraw/zinc/31/91/62/300319162.db2.gz VZTLHFQTBINDQB-GJZGRUSLSA-N 2 2 324.469 0.975 10 0 DCAELP C[C@H]1C[NH+]2CCC[C@H]2CN1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000247512881 300319163 /nfs/dbraw/zinc/31/91/63/300319163.db2.gz VZTLHFQTBINDQB-GJZGRUSLSA-N 2 2 324.469 0.975 10 0 DCAELP C[C@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)[C@H]1CCCO1 ZINC000175633016 545886944 /nfs/dbraw/zinc/88/69/44/545886944.db2.gz YQBMKDVLRXEEJW-DZGCQCFKSA-N 2 2 312.458 0.879 10 0 DCAELP CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000182568081 545905482 /nfs/dbraw/zinc/90/54/82/545905482.db2.gz ZRIFFZFVMWZORQ-RRFJBIMHSA-N 2 2 318.483 0.779 10 0 DCAELP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000333802821 546092946 /nfs/dbraw/zinc/09/29/46/546092946.db2.gz IBSPFZZDVBVQOA-BPUTZDHNSA-N 2 2 324.469 0.879 10 0 DCAELP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000333802821 546092949 /nfs/dbraw/zinc/09/29/49/546092949.db2.gz IBSPFZZDVBVQOA-BPUTZDHNSA-N 2 2 324.469 0.879 10 0 DCAELP COC(=O)[C@H]1CC(=O)N(C[NH+]2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000181375146 665561712 /nfs/dbraw/zinc/56/17/12/665561712.db2.gz UOJNZBIXANVWSD-HNNXBMFYSA-N 2 2 323.437 0.773 10 0 DCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COCc2[nH]cc[nH+]2)C1 ZINC000180054888 199112847 /nfs/dbraw/zinc/11/28/47/199112847.db2.gz YXDZCMJTOGFQNX-ZDUSSCGKSA-N 2 2 310.398 0.399 10 0 DCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)COCc2[nH]cc[nH+]2)C1 ZINC000180054888 199112849 /nfs/dbraw/zinc/11/28/49/199112849.db2.gz YXDZCMJTOGFQNX-ZDUSSCGKSA-N 2 2 310.398 0.399 10 0 DCAELP COCC[N@H+](C)CCCNc1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000180976964 199235741 /nfs/dbraw/zinc/23/57/41/199235741.db2.gz JZFMEBNXZBIXLH-CQSZACIVSA-N 2 2 323.441 0.818 10 0 DCAELP COCC[N@@H+](C)CCCNc1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000180976964 199235743 /nfs/dbraw/zinc/23/57/43/199235743.db2.gz JZFMEBNXZBIXLH-CQSZACIVSA-N 2 2 323.441 0.818 10 0 DCAELP COCC[N@H+](C)CCCNc1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000180976964 199235744 /nfs/dbraw/zinc/23/57/44/199235744.db2.gz JZFMEBNXZBIXLH-CQSZACIVSA-N 2 2 323.441 0.818 10 0 DCAELP COCC[N@@H+](C)CCCNc1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000180976964 199235746 /nfs/dbraw/zinc/23/57/46/199235746.db2.gz JZFMEBNXZBIXLH-CQSZACIVSA-N 2 2 323.441 0.818 10 0 DCAELP CC(C)[C@H](CNC(=O)c1[nH]nc2c1C[NH2+]CC2)[NH+]1CCOCC1 ZINC000188707639 200291532 /nfs/dbraw/zinc/29/15/32/200291532.db2.gz KNJMAFXJJHMSKC-AWEZNQCLSA-N 2 2 321.425 0.142 10 0 DCAELP O=C([C@H]1CC(F)(F)C[NH2+]1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000263286126 296093169 /nfs/dbraw/zinc/09/31/69/296093169.db2.gz UZXMSVXSRCDKPG-CYBMUJFWSA-N 2 2 317.380 0.554 10 0 DCAELP O=C(NCCCC[NH+]1CCOCC1)N1CC[NH+](C2CC2)CC1 ZINC000105134400 194078135 /nfs/dbraw/zinc/07/81/35/194078135.db2.gz IGCUOYKDQUCKSX-UHFFFAOYSA-N 2 2 310.442 0.588 10 0 DCAELP CC(C)[C@H](CNC(=O)N1CC[NH+](C2CC2)CC1)[NH+]1CCOCC1 ZINC000105103804 194074229 /nfs/dbraw/zinc/07/42/29/194074229.db2.gz DSWHFLXYHYSOED-INIZCTEOSA-N 2 2 324.469 0.833 10 0 DCAELP C[NH+]1CCN(C(=O)CC2CC[NH+](CC(=O)NC3CC3)CC2)CC1 ZINC000109789491 194285914 /nfs/dbraw/zinc/28/59/14/194285914.db2.gz NOMSBKRWBVKUNP-UHFFFAOYSA-N 2 2 322.453 0.141 10 0 DCAELP C[NH+](C)CCNC(=O)[C@@H]1C[C@@H]2CN(Cc3ccco3)C[C@@H]2[N@@H+]1C ZINC000248037412 257111208 /nfs/dbraw/zinc/11/12/08/257111208.db2.gz UXYKIPCDHQJOIJ-KBMXLJTQSA-N 2 2 320.437 0.462 10 0 DCAELP C[NH+](C)CCNC(=O)[C@@H]1C[C@@H]2CN(Cc3ccco3)C[C@@H]2[N@H+]1C ZINC000248037412 257111210 /nfs/dbraw/zinc/11/12/10/257111210.db2.gz UXYKIPCDHQJOIJ-KBMXLJTQSA-N 2 2 320.437 0.462 10 0 DCAELP CCN(CC)C(=O)C[NH+]1CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000163954771 132128709 /nfs/dbraw/zinc/12/87/09/132128709.db2.gz ZAKHRUOCUMIRMU-LSDHHAIUSA-N 2 2 324.469 0.517 10 0 DCAELP CC[NH+](CC)CC(=O)N1CC[NH+](CCC(=O)NC(C)C)CC1 ZINC000103492417 395773927 /nfs/dbraw/zinc/77/39/27/395773927.db2.gz DNSDWLZRQCNCHG-UHFFFAOYSA-N 2 2 312.458 0.387 10 0 DCAELP C[C@H]1CC[N@H+](Cc2cn(C)c(=O)n(C)c2=O)C[C@H]1n1cc[nH+]c1 ZINC000246084638 395940846 /nfs/dbraw/zinc/94/08/46/395940846.db2.gz IDNPBPOEBOLGDW-GXTWGEPZSA-N 2 2 317.393 0.364 10 0 DCAELP C[C@H]1CC[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C[C@H]1n1cc[nH+]c1 ZINC000246084638 395940848 /nfs/dbraw/zinc/94/08/48/395940848.db2.gz IDNPBPOEBOLGDW-GXTWGEPZSA-N 2 2 317.393 0.364 10 0 DCAELP C[NH+](C)[C@H](CNC(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000246465789 395950867 /nfs/dbraw/zinc/95/08/67/395950867.db2.gz PZSDQDNTJFIIRR-JKSUJKDBSA-N 2 2 320.437 0.919 10 0 DCAELP C[NH+](C)[C@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000246465789 395950869 /nfs/dbraw/zinc/95/08/69/395950869.db2.gz PZSDQDNTJFIIRR-JKSUJKDBSA-N 2 2 320.437 0.919 10 0 DCAELP [NH3+]C1(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CCOCC1 ZINC000261825845 396070558 /nfs/dbraw/zinc/07/05/58/396070558.db2.gz KPRIPEMYNFYZOL-UHFFFAOYSA-N 2 2 304.394 0.806 10 0 DCAELP COc1ccc(OC(F)F)c(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000263203119 396206069 /nfs/dbraw/zinc/20/60/69/396206069.db2.gz JHRMQAAWWVKJSB-CMPLNLGQSA-N 2 2 302.321 0.967 10 0 DCAELP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000263234907 396207298 /nfs/dbraw/zinc/20/72/98/396207298.db2.gz JCCJNVBSAZGWEJ-AWEZNQCLSA-N 2 2 307.398 0.215 10 0 DCAELP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000263234907 396207300 /nfs/dbraw/zinc/20/73/00/396207300.db2.gz JCCJNVBSAZGWEJ-AWEZNQCLSA-N 2 2 307.398 0.215 10 0 DCAELP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000176142133 396150824 /nfs/dbraw/zinc/15/08/24/396150824.db2.gz AZYXQZBCXOFEJA-HUUCEWRRSA-N 2 2 321.425 0.696 10 0 DCAELP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000176142133 396150828 /nfs/dbraw/zinc/15/08/28/396150828.db2.gz AZYXQZBCXOFEJA-HUUCEWRRSA-N 2 2 321.425 0.696 10 0 DCAELP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000262645790 396167886 /nfs/dbraw/zinc/16/78/86/396167886.db2.gz NWIQQVHPGRHBFM-ILXRZTDVSA-N 2 2 322.453 0.269 10 0 DCAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NCC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000181946600 396243987 /nfs/dbraw/zinc/24/39/87/396243987.db2.gz VQPQXRXSRYEQSI-OLZOCXBDSA-N 2 2 313.442 0.859 10 0 DCAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NCC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000181946600 396243991 /nfs/dbraw/zinc/24/39/91/396243991.db2.gz VQPQXRXSRYEQSI-OLZOCXBDSA-N 2 2 313.442 0.859 10 0 DCAELP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)NCC(=O)OC(C)(C)C)CC[NH+]1C ZINC000181946600 396243992 /nfs/dbraw/zinc/24/39/92/396243992.db2.gz VQPQXRXSRYEQSI-OLZOCXBDSA-N 2 2 313.442 0.859 10 0 DCAELP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)NCC(=O)OC(C)(C)C)CC[NH+]1C ZINC000181946600 396243993 /nfs/dbraw/zinc/24/39/93/396243993.db2.gz VQPQXRXSRYEQSI-OLZOCXBDSA-N 2 2 313.442 0.859 10 0 DCAELP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1c[nH+]ccc1N(C)C ZINC000184080392 396284437 /nfs/dbraw/zinc/28/44/37/396284437.db2.gz QRAOAIJOPVZHRE-AWEZNQCLSA-N 2 2 319.453 0.903 10 0 DCAELP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1c[nH+]ccc1N(C)C ZINC000184080392 396284441 /nfs/dbraw/zinc/28/44/41/396284441.db2.gz QRAOAIJOPVZHRE-AWEZNQCLSA-N 2 2 319.453 0.903 10 0 DCAELP CO[C@H]1C[C@@H](CN(C)c2ncnc3c2C[N@H+](C)CC3)[NH+](C)C1 ZINC000284582357 396345438 /nfs/dbraw/zinc/34/54/38/396345438.db2.gz PKAOAERCKVEXNO-STQMWFEESA-N 2 2 305.426 0.620 10 0 DCAELP CO[C@H]1C[C@@H](CN(C)c2ncnc3c2C[N@@H+](C)CC3)[NH+](C)C1 ZINC000284582357 396345440 /nfs/dbraw/zinc/34/54/40/396345440.db2.gz PKAOAERCKVEXNO-STQMWFEESA-N 2 2 305.426 0.620 10 0 DCAELP CO[C@H]1C[C@@H](CN(C)c2ncnc3c2C[NH+](C)CC3)[N@H+](C)C1 ZINC000284582357 396345444 /nfs/dbraw/zinc/34/54/44/396345444.db2.gz PKAOAERCKVEXNO-STQMWFEESA-N 2 2 305.426 0.620 10 0 DCAELP CO[C@H]1C[C@@H](CN(C)c2ncnc3c2C[NH+](C)CC3)[N@@H+](C)C1 ZINC000284582357 396345446 /nfs/dbraw/zinc/34/54/46/396345446.db2.gz PKAOAERCKVEXNO-STQMWFEESA-N 2 2 305.426 0.620 10 0 DCAELP CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000189367030 396394067 /nfs/dbraw/zinc/39/40/67/396394067.db2.gz CBJXYZJAZUHGAW-AWEZNQCLSA-N 2 2 300.447 0.690 10 0 DCAELP CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000189367030 396394072 /nfs/dbraw/zinc/39/40/72/396394072.db2.gz CBJXYZJAZUHGAW-AWEZNQCLSA-N 2 2 300.447 0.690 10 0 DCAELP CC(=O)c1ncc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)s1 ZINC000617762518 396818089 /nfs/dbraw/zinc/81/80/89/396818089.db2.gz QYGLZKDDVYWNFE-UHFFFAOYSA-N 2 2 312.439 0.959 10 0 DCAELP CC(=O)c1ncc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)s1 ZINC000617762518 396818093 /nfs/dbraw/zinc/81/80/93/396818093.db2.gz QYGLZKDDVYWNFE-UHFFFAOYSA-N 2 2 312.439 0.959 10 0 DCAELP CC(=O)N1CC[C@](C)(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1 ZINC000617766009 396822706 /nfs/dbraw/zinc/82/27/06/396822706.db2.gz ZBFRPPUBROUAGJ-INIZCTEOSA-N 2 2 312.458 0.245 10 0 DCAELP CC(=O)N1CC[C@](C)(C(=O)NCC[N@H+](C)CCC[NH+](C)C)C1 ZINC000617766009 396822714 /nfs/dbraw/zinc/82/27/14/396822714.db2.gz ZBFRPPUBROUAGJ-INIZCTEOSA-N 2 2 312.458 0.245 10 0 DCAELP Cc1ccncc1C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000376569592 396948011 /nfs/dbraw/zinc/94/80/11/396948011.db2.gz HCPCCAZITVCYGN-QGZVFWFLSA-N 2 2 304.438 0.886 10 0 DCAELP Cc1[nH+]ccn1CCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000572469204 397062309 /nfs/dbraw/zinc/06/23/09/397062309.db2.gz COXWVDZOIQBCJD-UHFFFAOYSA-N 2 2 312.333 0.594 10 0 DCAELP O[C@H](C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)C(F)(F)F ZINC000408230708 397350534 /nfs/dbraw/zinc/35/05/34/397350534.db2.gz CSUSAYOPYCASSE-LLVKDONJSA-N 2 2 312.332 0.069 10 0 DCAELP C[C@H](CNC(=O)NC[C@@H](C)[NH+]1CCOCC1)C[NH+]1CCCC1 ZINC000079987662 158079489 /nfs/dbraw/zinc/07/94/89/158079489.db2.gz GIZHEGYLGZFLLA-HUUCEWRRSA-N 2 2 312.458 0.738 10 0 DCAELP Cn1nccc1C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000093142866 158118127 /nfs/dbraw/zinc/11/81/27/158118127.db2.gz OBNIYBNJUMEBPT-UHFFFAOYSA-N 2 2 319.453 0.796 10 0 DCAELP CC[NH+]1CCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000096666074 158123819 /nfs/dbraw/zinc/12/38/19/158123819.db2.gz DFOXJJOXYWOQPU-UHFFFAOYSA-N 2 2 317.437 0.611 10 0 DCAELP C[C@H](CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)[NH+]1CCOCC1 ZINC000113590982 158148483 /nfs/dbraw/zinc/14/84/83/158148483.db2.gz RXIXQGLBOJUZAF-RBSFLKMASA-N 2 2 310.442 0.585 10 0 DCAELP C[C@H](CNC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C)[NH+]1CCOCC1 ZINC000113590982 158148489 /nfs/dbraw/zinc/14/84/89/158148489.db2.gz RXIXQGLBOJUZAF-RBSFLKMASA-N 2 2 310.442 0.585 10 0 DCAELP CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000123627825 158232129 /nfs/dbraw/zinc/23/21/29/158232129.db2.gz CKWWKFWJMMHFDA-LBPRGKRZSA-N 2 2 307.398 0.520 10 0 DCAELP CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000123627825 158232131 /nfs/dbraw/zinc/23/21/31/158232131.db2.gz CKWWKFWJMMHFDA-LBPRGKRZSA-N 2 2 307.398 0.520 10 0 DCAELP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@H]2COCC[NH2+]2)cc1 ZINC000166514322 158366081 /nfs/dbraw/zinc/36/60/81/158366081.db2.gz WMFKAKYCCGYLHL-CQSZACIVSA-N 2 2 320.393 0.504 10 0 DCAELP C[C@@H]1CN(c2ccc(CNC(=O)C[NH+](C)C)c[nH+]2)C[C@@H](C)O1 ZINC000170756794 158376082 /nfs/dbraw/zinc/37/60/82/158376082.db2.gz CUZWQDRQFSKGDB-CHWSQXEVSA-N 2 2 306.410 0.873 10 0 DCAELP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000171750176 158386462 /nfs/dbraw/zinc/38/64/62/158386462.db2.gz HLLFEHPFVFNCQD-OAHLLOKOSA-N 2 2 323.485 0.502 10 0 DCAELP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000171750176 158386463 /nfs/dbraw/zinc/38/64/63/158386463.db2.gz HLLFEHPFVFNCQD-OAHLLOKOSA-N 2 2 323.485 0.502 10 0 DCAELP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000172259788 158393441 /nfs/dbraw/zinc/39/34/41/158393441.db2.gz JVMBEQMNOSUQIG-LSDHHAIUSA-N 2 2 324.469 0.975 10 0 DCAELP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000172259788 158393442 /nfs/dbraw/zinc/39/34/42/158393442.db2.gz JVMBEQMNOSUQIG-LSDHHAIUSA-N 2 2 324.469 0.975 10 0 DCAELP C[C@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000172259788 158393443 /nfs/dbraw/zinc/39/34/43/158393443.db2.gz JVMBEQMNOSUQIG-LSDHHAIUSA-N 2 2 324.469 0.975 10 0 DCAELP C[C@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000172259788 158393444 /nfs/dbraw/zinc/39/34/44/158393444.db2.gz JVMBEQMNOSUQIG-LSDHHAIUSA-N 2 2 324.469 0.975 10 0 DCAELP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261639355 158725642 /nfs/dbraw/zinc/72/56/42/158725642.db2.gz GEQGRDGSGIABSQ-AAEUAGOBSA-N 2 2 310.442 0.171 10 0 DCAELP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261639355 158725645 /nfs/dbraw/zinc/72/56/45/158725645.db2.gz GEQGRDGSGIABSQ-AAEUAGOBSA-N 2 2 310.442 0.171 10 0 DCAELP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)CC1 ZINC000318764176 159006177 /nfs/dbraw/zinc/00/61/77/159006177.db2.gz LOHPRODKBKDVJV-XHSDSOJGSA-N 2 2 309.454 0.776 10 0 DCAELP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)CC1 ZINC000318764176 159006178 /nfs/dbraw/zinc/00/61/78/159006178.db2.gz LOHPRODKBKDVJV-XHSDSOJGSA-N 2 2 309.454 0.776 10 0 DCAELP C[C@@H]1C[N@@H+](C2CC[NH+](C[C@H](O)Cn3cccn3)CC2)CCO1 ZINC000328680452 159020489 /nfs/dbraw/zinc/02/04/89/159020489.db2.gz UOYFLBJWNWLAJF-ZBFHGGJFSA-N 2 2 308.426 0.429 10 0 DCAELP C[C@@H]1C[N@H+](C2CC[NH+](C[C@H](O)Cn3cccn3)CC2)CCO1 ZINC000328680452 159020491 /nfs/dbraw/zinc/02/04/91/159020491.db2.gz UOYFLBJWNWLAJF-ZBFHGGJFSA-N 2 2 308.426 0.429 10 0 DCAELP CCOCC[N@@H+]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C[C@@H]1CC ZINC000245461540 287069666 /nfs/dbraw/zinc/06/96/66/287069666.db2.gz NAQCUYIQFVVFDE-LSDHHAIUSA-N 2 2 313.442 0.276 10 0 DCAELP CCOCC[N@H+]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C[C@@H]1CC ZINC000245461540 287069667 /nfs/dbraw/zinc/06/96/67/287069667.db2.gz NAQCUYIQFVVFDE-LSDHHAIUSA-N 2 2 313.442 0.276 10 0 DCAELP CCOCC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@@H]1CC ZINC000245461540 287069668 /nfs/dbraw/zinc/06/96/68/287069668.db2.gz NAQCUYIQFVVFDE-LSDHHAIUSA-N 2 2 313.442 0.276 10 0 DCAELP CCOCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@@H]1CC ZINC000245461540 287069671 /nfs/dbraw/zinc/06/96/71/287069671.db2.gz NAQCUYIQFVVFDE-LSDHHAIUSA-N 2 2 313.442 0.276 10 0 DCAELP C[N@@H+]1CCO[C@H](CNC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000104778541 415625940 /nfs/dbraw/zinc/62/59/40/415625940.db2.gz PGOBMIPIOUGDKI-CQSZACIVSA-N 2 2 312.458 0.881 10 0 DCAELP C[N@H+]1CCO[C@H](CNC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000104778541 415625945 /nfs/dbraw/zinc/62/59/45/415625945.db2.gz PGOBMIPIOUGDKI-CQSZACIVSA-N 2 2 312.458 0.881 10 0 DCAELP c1cn2c([nH+]1)CN(c1nc(N[C@H]3CCCOC3)cc[nH+]1)CC2 ZINC000333185920 415580408 /nfs/dbraw/zinc/58/04/08/415580408.db2.gz UFQYXUSIXGROLQ-LBPRGKRZSA-N 2 2 300.366 1.284 10 0 DCAELP Cc1ccc(N2CCC(NC(=O)[C@@H]3C[N@H+](C)CCO3)CC2)[nH+]c1 ZINC000173173232 416054136 /nfs/dbraw/zinc/05/41/36/416054136.db2.gz SFJOJWUDKPJRIQ-HNNXBMFYSA-N 2 2 318.421 0.806 10 0 DCAELP Cc1ccc(N2CCC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)[nH+]c1 ZINC000173173232 416054139 /nfs/dbraw/zinc/05/41/39/416054139.db2.gz SFJOJWUDKPJRIQ-HNNXBMFYSA-N 2 2 318.421 0.806 10 0 DCAELP CC(=O)N1CC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)[C@@H](C)C1 ZINC000357299722 416058372 /nfs/dbraw/zinc/05/83/72/416058372.db2.gz GHNMQNDTBRHHMC-ZDUSSCGKSA-N 2 2 322.453 0.282 10 0 DCAELP CC(=O)N1CC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)[C@@H](C)C1 ZINC000357299722 416058376 /nfs/dbraw/zinc/05/83/76/416058376.db2.gz GHNMQNDTBRHHMC-ZDUSSCGKSA-N 2 2 322.453 0.282 10 0 DCAELP C[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[N@H+](C)C1CC1 ZINC000173908632 416067890 /nfs/dbraw/zinc/06/78/90/416067890.db2.gz OJYWDHQDAYHCDK-DZGCQCFKSA-N 2 2 310.442 0.585 10 0 DCAELP C[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[N@@H+](C)C1CC1 ZINC000173908632 416067892 /nfs/dbraw/zinc/06/78/92/416067892.db2.gz OJYWDHQDAYHCDK-DZGCQCFKSA-N 2 2 310.442 0.585 10 0 DCAELP CCOCCNC(=O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000175962998 416117582 /nfs/dbraw/zinc/11/75/82/416117582.db2.gz RHKMSEMCQLEEAK-UHFFFAOYSA-N 2 2 308.426 0.827 10 0 DCAELP C[C@H](CCNC(=O)NC[C@H]1C[N@H+](C)CCO1)[NH+]1CCCCC1 ZINC000181713450 416211883 /nfs/dbraw/zinc/21/18/83/416211883.db2.gz YEVKJUBBRTXNQT-CABCVRRESA-N 2 2 312.458 0.881 10 0 DCAELP C[C@H](CCNC(=O)NC[C@H]1C[N@@H+](C)CCO1)[NH+]1CCCCC1 ZINC000181713450 416211887 /nfs/dbraw/zinc/21/18/87/416211887.db2.gz YEVKJUBBRTXNQT-CABCVRRESA-N 2 2 312.458 0.881 10 0 DCAELP CN(C)c1cc[nH+]cc1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000183471307 416241250 /nfs/dbraw/zinc/24/12/50/416241250.db2.gz WMCNPNRWFFZWBT-UHFFFAOYSA-N 2 2 306.410 0.988 10 0 DCAELP CO[C@H](C)c1noc(C[N@H+](C)CCC(=O)N2CC[NH2+]CC2)n1 ZINC000262275479 416336629 /nfs/dbraw/zinc/33/66/29/416336629.db2.gz YTVRBLFGSSHNKH-LLVKDONJSA-N 2 2 311.386 0.031 10 0 DCAELP CO[C@H](C)c1noc(C[N@@H+](C)CCC(=O)N2CC[NH2+]CC2)n1 ZINC000262275479 416336630 /nfs/dbraw/zinc/33/66/30/416336630.db2.gz YTVRBLFGSSHNKH-LLVKDONJSA-N 2 2 311.386 0.031 10 0 DCAELP CCO[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccccc2)C[C@H]1C[NH3+] ZINC000405252335 417124872 /nfs/dbraw/zinc/12/48/72/417124872.db2.gz LLPFPLZSKUUGTF-HZPDHXFCSA-N 2 2 305.422 0.941 10 0 DCAELP CCO[C@@H]1C[N@@H+](CC(=O)N(C)Cc2ccccc2)C[C@H]1C[NH3+] ZINC000405252335 417124882 /nfs/dbraw/zinc/12/48/82/417124882.db2.gz LLPFPLZSKUUGTF-HZPDHXFCSA-N 2 2 305.422 0.941 10 0 DCAELP Cn1nc(C2CC2)nc1C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000576875419 417644581 /nfs/dbraw/zinc/64/45/81/417644581.db2.gz ZQFSEPQEBDSYTN-ZDUSSCGKSA-N 2 2 305.426 0.880 10 0 DCAELP Cn1nc(C2CC2)nc1C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000576875419 417644587 /nfs/dbraw/zinc/64/45/87/417644587.db2.gz ZQFSEPQEBDSYTN-ZDUSSCGKSA-N 2 2 305.426 0.880 10 0 DCAELP C[C@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1CCO ZINC000187260601 261122587 /nfs/dbraw/zinc/12/25/87/261122587.db2.gz JEZLTFANJUOSRD-GOEBONIOSA-N 2 2 305.422 0.814 10 0 DCAELP C[C@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC[N@H+]1CCO ZINC000187260601 261122588 /nfs/dbraw/zinc/12/25/88/261122588.db2.gz JEZLTFANJUOSRD-GOEBONIOSA-N 2 2 305.422 0.814 10 0 DCAELP COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC1CC[NH+](C)CC1 ZINC000362957407 262090108 /nfs/dbraw/zinc/09/01/08/262090108.db2.gz ITALHRGVBFURQQ-CYBMUJFWSA-N 2 2 308.382 0.342 10 0 DCAELP COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC1CC[NH+](C)CC1 ZINC000362957407 262090109 /nfs/dbraw/zinc/09/01/09/262090109.db2.gz ITALHRGVBFURQQ-CYBMUJFWSA-N 2 2 308.382 0.342 10 0 DCAELP Cc1[nH+]cc(C[NH2+]C[C@@H](O)Cn2ccnn2)n1-c1ccccc1 ZINC000459687798 272003578 /nfs/dbraw/zinc/00/35/78/272003578.db2.gz BOUQHYNZKPEWJG-MRXNPFEDSA-N 2 2 312.377 0.923 10 0 DCAELP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173912133 276171987 /nfs/dbraw/zinc/17/19/87/276171987.db2.gz ZSBZUYCXIIBFFI-CABCVRRESA-N 2 2 310.442 0.587 10 0 DCAELP CC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173912133 276171988 /nfs/dbraw/zinc/17/19/88/276171988.db2.gz ZSBZUYCXIIBFFI-CABCVRRESA-N 2 2 310.442 0.587 10 0 DCAELP CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000261803281 277056732 /nfs/dbraw/zinc/05/67/32/277056732.db2.gz OGWPVAUJERDXOB-UONOGXRCSA-N 2 2 310.442 0.173 10 0 DCAELP CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000261803281 277056733 /nfs/dbraw/zinc/05/67/33/277056733.db2.gz OGWPVAUJERDXOB-UONOGXRCSA-N 2 2 310.442 0.173 10 0 DCAELP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000408390183 278204028 /nfs/dbraw/zinc/20/40/28/278204028.db2.gz RSDWJVOPSFXSLX-WDEREUQCSA-N 2 2 305.382 0.592 10 0 DCAELP C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000408390183 278204029 /nfs/dbraw/zinc/20/40/29/278204029.db2.gz RSDWJVOPSFXSLX-WDEREUQCSA-N 2 2 305.382 0.592 10 0 DCAELP C[C@@H]1CN(CC[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CCO1 ZINC000192737069 288171744 /nfs/dbraw/zinc/17/17/44/288171744.db2.gz LASBGODDFJEBNA-MSOLQXFVSA-N 2 2 324.513 0.809 10 0 DCAELP C[C@@H]1CN(CC[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CCO1 ZINC000192737069 288171746 /nfs/dbraw/zinc/17/17/46/288171746.db2.gz LASBGODDFJEBNA-MSOLQXFVSA-N 2 2 324.513 0.809 10 0 DCAELP C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000560986662 288523007 /nfs/dbraw/zinc/52/30/07/288523007.db2.gz NIKRHGOZTRYUGU-UHFFFAOYSA-N 2 2 301.350 0.483 10 0 DCAELP O=C(N[C@@H]1CCCC[NH2+]C1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000333660376 303837356 /nfs/dbraw/zinc/83/73/56/303837356.db2.gz LLADWUNCYCOXNT-CABCVRRESA-N 2 2 310.442 0.635 10 0 DCAELP COc1cc[nH+]cc1NC(=O)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000190099273 524861675 /nfs/dbraw/zinc/86/16/75/524861675.db2.gz XYIGEVSGANRBDB-NWDGAFQWSA-N 2 2 318.377 0.724 10 0 DCAELP COc1cc[nH+]cc1NC(=O)C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000190099273 524861685 /nfs/dbraw/zinc/86/16/85/524861685.db2.gz XYIGEVSGANRBDB-NWDGAFQWSA-N 2 2 318.377 0.724 10 0 DCAELP C[C@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@H](C)O1 ZINC000179300902 545897999 /nfs/dbraw/zinc/89/79/99/545897999.db2.gz DYEFKCTURFVQPJ-KBPBESRZSA-N 2 2 312.458 0.831 10 0 DCAELP O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000262379692 545985684 /nfs/dbraw/zinc/98/56/84/545985684.db2.gz WWXPWUDKFIEXFL-HUUCEWRRSA-N 2 2 300.362 0.242 10 0 DCAELP CC(=O)N[C@@H]1CCC[NH+](CCC[N@H+]2CCC[C@H](NC(C)=O)C2)C1 ZINC000157593073 291228931 /nfs/dbraw/zinc/22/89/31/291228931.db2.gz BOVXNSRUAFPPHY-CALCHBBNSA-N 2 2 324.469 0.578 10 0 DCAELP CC(=O)N[C@@H]1CCC[NH+](CCC[N@@H+]2CCC[C@H](NC(C)=O)C2)C1 ZINC000157593073 291228933 /nfs/dbraw/zinc/22/89/33/291228933.db2.gz BOVXNSRUAFPPHY-CALCHBBNSA-N 2 2 324.469 0.578 10 0 DCAELP CC(=O)N[C@@H]1CCC[N@@H+](CCC[NH+]2CCC[C@H](NC(C)=O)C2)C1 ZINC000157593073 291228935 /nfs/dbraw/zinc/22/89/35/291228935.db2.gz BOVXNSRUAFPPHY-CALCHBBNSA-N 2 2 324.469 0.578 10 0 DCAELP CC(=O)N[C@@H]1CCC[N@H+](CCC[NH+]2CCC[C@H](NC(C)=O)C2)C1 ZINC000157593073 291228939 /nfs/dbraw/zinc/22/89/39/291228939.db2.gz BOVXNSRUAFPPHY-CALCHBBNSA-N 2 2 324.469 0.578 10 0 DCAELP C[NH+]1CCN(Nc2[nH+]cnc(Nc3cccnc3)c2N)CC1 ZINC000040756844 183129499 /nfs/dbraw/zinc/12/94/99/183129499.db2.gz JMGGUNAQRBWYIW-UHFFFAOYSA-N 2 2 300.370 0.772 10 0 DCAELP Cc1ccc(NCCCNC(=O)NC[C@@H]2C[N@H+](C)CCO2)[nH+]c1 ZINC000104797626 194041018 /nfs/dbraw/zinc/04/10/18/194041018.db2.gz VMHNEUZNBLXGSL-CQSZACIVSA-N 2 2 321.425 0.822 10 0 DCAELP Cc1ccc(NCCCNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)[nH+]c1 ZINC000104797626 194041020 /nfs/dbraw/zinc/04/10/20/194041020.db2.gz VMHNEUZNBLXGSL-CQSZACIVSA-N 2 2 321.425 0.822 10 0 DCAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2nc(N)nc(N)n2)C1 ZINC000105896765 194161953 /nfs/dbraw/zinc/16/19/53/194161953.db2.gz ZJOKIQBYLTUQEO-JTQLQIEISA-N 2 2 302.386 0.632 10 0 DCAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2nc(N)nc(N)n2)C1 ZINC000105896765 194161955 /nfs/dbraw/zinc/16/19/55/194161955.db2.gz ZJOKIQBYLTUQEO-JTQLQIEISA-N 2 2 302.386 0.632 10 0 DCAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N2CCNC2=O)C1 ZINC000105896619 194162220 /nfs/dbraw/zinc/16/22/20/194162220.db2.gz YXWCRXDDKFAQOX-GFCCVEGCSA-N 2 2 305.382 0.634 10 0 DCAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N2CCNC2=O)C1 ZINC000105896619 194162222 /nfs/dbraw/zinc/16/22/22/194162222.db2.gz YXWCRXDDKFAQOX-GFCCVEGCSA-N 2 2 305.382 0.634 10 0 DCAELP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[NH+](C2CC2)CC1 ZINC000106584307 194233783 /nfs/dbraw/zinc/23/37/83/194233783.db2.gz JJWFZNMTAMTJDA-AWEZNQCLSA-N 2 2 309.458 0.112 10 0 DCAELP COC(=O)CNC(=O)[C@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515913 395831010 /nfs/dbraw/zinc/83/10/10/395831010.db2.gz ZWVVZLMMTWWRFQ-QWHCGFSZSA-N 2 2 320.393 0.493 10 0 DCAELP COC(=O)CNC(=O)[C@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515913 395831012 /nfs/dbraw/zinc/83/10/12/395831012.db2.gz ZWVVZLMMTWWRFQ-QWHCGFSZSA-N 2 2 320.393 0.493 10 0 DCAELP C[NH+](C)C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CCO1 ZINC000116789690 395846329 /nfs/dbraw/zinc/84/63/29/395846329.db2.gz FAVGPDWQQAQYEJ-AWEZNQCLSA-N 2 2 315.377 0.670 10 0 DCAELP OC[C@H]1CCCN1c1cc(N2CC[N@@H+]3CCC[C@H]3C2)nc[nH+]1 ZINC000246166404 395943101 /nfs/dbraw/zinc/94/31/01/395943101.db2.gz NFAYIHXTBPBEGG-UONOGXRCSA-N 2 2 303.410 0.722 10 0 DCAELP OC[C@H]1CCCN1c1cc(N2CC[N@H+]3CCC[C@H]3C2)nc[nH+]1 ZINC000246166404 395943105 /nfs/dbraw/zinc/94/31/05/395943105.db2.gz NFAYIHXTBPBEGG-UONOGXRCSA-N 2 2 303.410 0.722 10 0 DCAELP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000247309317 395971415 /nfs/dbraw/zinc/97/14/15/395971415.db2.gz NXQDKLBXTFTMLT-BZUAXINKSA-N 2 2 323.485 0.500 10 0 DCAELP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000247309317 395971417 /nfs/dbraw/zinc/97/14/17/395971417.db2.gz NXQDKLBXTFTMLT-BZUAXINKSA-N 2 2 323.485 0.500 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)CC1 ZINC000247557543 395976698 /nfs/dbraw/zinc/97/66/98/395976698.db2.gz UGKBMHLCTGQRIN-LSDHHAIUSA-N 2 2 319.453 0.762 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](c3cnn(C)c3)C2)CC1 ZINC000247557543 395976700 /nfs/dbraw/zinc/97/67/00/395976700.db2.gz UGKBMHLCTGQRIN-LSDHHAIUSA-N 2 2 319.453 0.762 10 0 DCAELP O=S(=O)(C1CC1)N1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261808339 396068234 /nfs/dbraw/zinc/06/82/34/396068234.db2.gz PRGOVXWBLXXUAD-CYBMUJFWSA-N 2 2 301.456 0.486 10 0 DCAELP O=S(=O)(C1CC1)N1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261808339 396068236 /nfs/dbraw/zinc/06/82/36/396068236.db2.gz PRGOVXWBLXXUAD-CYBMUJFWSA-N 2 2 301.456 0.486 10 0 DCAELP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000261834294 396070843 /nfs/dbraw/zinc/07/08/43/396070843.db2.gz BVKSIVKDOLJADX-OKILXGFUSA-N 2 2 310.442 0.140 10 0 DCAELP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000261834294 396070845 /nfs/dbraw/zinc/07/08/45/396070845.db2.gz BVKSIVKDOLJADX-OKILXGFUSA-N 2 2 310.442 0.140 10 0 DCAELP C[C@@H](C[NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000262390867 396134522 /nfs/dbraw/zinc/13/45/22/396134522.db2.gz OEVBNIYNFBIPLH-RWMBFGLXSA-N 2 2 306.410 0.906 10 0 DCAELP C[C@H]([C@H](C)NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)[NH+]1CCOCC1 ZINC000174760587 396139369 /nfs/dbraw/zinc/13/93/69/396139369.db2.gz MDXMYTXYADHXAR-XHSDSOJGSA-N 2 2 322.453 0.751 10 0 DCAELP CC(C)NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000162399069 396081279 /nfs/dbraw/zinc/08/12/79/396081279.db2.gz FIMZXXVZWGFVDG-AWEZNQCLSA-N 2 2 310.442 0.140 10 0 DCAELP CC(C)NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000162399069 396081281 /nfs/dbraw/zinc/08/12/81/396081281.db2.gz FIMZXXVZWGFVDG-AWEZNQCLSA-N 2 2 310.442 0.140 10 0 DCAELP C[C@@H]1CN(C(=O)NCCn2cc[nH+]c2)C[C@H]1[NH+]1CCOCC1 ZINC000177298151 396171387 /nfs/dbraw/zinc/17/13/87/396171387.db2.gz GDWCVBQZKYKCBH-ZIAGYGMSSA-N 2 2 307.398 0.245 10 0 DCAELP CCOCC[N@H+]1CCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)C[C@H]1C ZINC000188762256 396385913 /nfs/dbraw/zinc/38/59/13/396385913.db2.gz QJVLVNIIKUXEDM-GFCCVEGCSA-N 2 2 321.425 0.238 10 0 DCAELP COc1cc[nH+]cc1NC(=O)C(=O)N1CC[NH+]2CCC1CC2 ZINC000189785740 396399606 /nfs/dbraw/zinc/39/96/06/396399606.db2.gz JAJYXLQJANZGNX-UHFFFAOYSA-N 2 2 304.350 0.335 10 0 DCAELP CNS(=O)(=O)CCC[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000407950379 397333276 /nfs/dbraw/zinc/33/32/76/397333276.db2.gz DDXNPUBIZXQZNL-ZDUSSCGKSA-N 2 2 319.471 0.111 10 0 DCAELP CNS(=O)(=O)CCC[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000407950379 397333278 /nfs/dbraw/zinc/33/32/78/397333278.db2.gz DDXNPUBIZXQZNL-ZDUSSCGKSA-N 2 2 319.471 0.111 10 0 DCAELP O=C(Cc1cn2ccccc2[nH+]1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000114854589 158157636 /nfs/dbraw/zinc/15/76/36/158157636.db2.gz ATUKEDBBUSBVBK-HNNXBMFYSA-N 2 2 314.389 0.856 10 0 DCAELP O=C(Cc1cn2ccccc2[nH+]1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000114854589 158157638 /nfs/dbraw/zinc/15/76/38/158157638.db2.gz ATUKEDBBUSBVBK-HNNXBMFYSA-N 2 2 314.389 0.856 10 0 DCAELP O=C(NCC[NH+]1CCOCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000124827947 158248353 /nfs/dbraw/zinc/24/83/53/158248353.db2.gz HVCKOCOWFWWLOQ-UHFFFAOYSA-N 2 2 310.442 0.588 10 0 DCAELP C[NH+](C)C1CC[NH+](CCNC(=O)c2cnn3c2CCCC3)CC1 ZINC000127637470 158275601 /nfs/dbraw/zinc/27/56/01/158275601.db2.gz HOPDGGZFEYNEOI-UHFFFAOYSA-N 2 2 319.453 0.975 10 0 DCAELP C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000171706951 158386195 /nfs/dbraw/zinc/38/61/95/158386195.db2.gz GUEPTFWJZKIACZ-CABCVRRESA-N 2 2 310.442 0.587 10 0 DCAELP C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000171706951 158386196 /nfs/dbraw/zinc/38/61/96/158386196.db2.gz GUEPTFWJZKIACZ-CABCVRRESA-N 2 2 310.442 0.587 10 0 DCAELP C[C@@H](C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)n1cncn1 ZINC000329083533 159060306 /nfs/dbraw/zinc/06/03/06/159060306.db2.gz FFHPSWCTADAZJW-KBPBESRZSA-N 2 2 320.441 0.466 10 0 DCAELP C[C@@H](C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)n1cncn1 ZINC000329083533 159060310 /nfs/dbraw/zinc/06/03/10/159060310.db2.gz FFHPSWCTADAZJW-KBPBESRZSA-N 2 2 320.441 0.466 10 0 DCAELP O=C(Nc1ccn2cc[nH+]c2c1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000333321300 415609338 /nfs/dbraw/zinc/60/93/38/415609338.db2.gz NAMFXQSBFGFKMR-CQSZACIVSA-N 2 2 314.393 0.846 10 0 DCAELP C[C@H]1C[N@@H+](C2CC[NH+](CCCN3C(=O)CNC3=O)CC2)CCO1 ZINC000104947437 415625664 /nfs/dbraw/zinc/62/56/64/415625664.db2.gz PMKKUJHADCYKLP-ZDUSSCGKSA-N 2 2 324.425 0.113 10 0 DCAELP C[C@H]1C[N@H+](C2CC[NH+](CCCN3C(=O)CNC3=O)CC2)CCO1 ZINC000104947437 415625676 /nfs/dbraw/zinc/62/56/76/415625676.db2.gz PMKKUJHADCYKLP-ZDUSSCGKSA-N 2 2 324.425 0.113 10 0 DCAELP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000128363990 415897422 /nfs/dbraw/zinc/89/74/22/415897422.db2.gz BQGMWPPQORIGMN-HNNXBMFYSA-N 2 2 311.430 0.651 10 0 DCAELP C[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)C[NH+]1CCCC1 ZINC000173893683 416068729 /nfs/dbraw/zinc/06/87/29/416068729.db2.gz FHBJUUCBZLOZPA-JKSUJKDBSA-N 2 2 324.469 0.834 10 0 DCAELP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000175795108 416114434 /nfs/dbraw/zinc/11/44/34/416114434.db2.gz WKDABLRBMHDYPC-HUUCEWRRSA-N 2 2 313.442 0.226 10 0 DCAELP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000175795108 416114437 /nfs/dbraw/zinc/11/44/37/416114437.db2.gz WKDABLRBMHDYPC-HUUCEWRRSA-N 2 2 313.442 0.226 10 0 DCAELP CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)N1CC[NH+](C2CC2)CC1 ZINC000262547742 416336956 /nfs/dbraw/zinc/33/69/56/416336956.db2.gz RYIPFLAOTKKGSS-CKEIUWERSA-N 2 2 307.438 0.826 10 0 DCAELP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)n1C ZINC000419752032 416409072 /nfs/dbraw/zinc/40/90/72/416409072.db2.gz VQOUEQSJPVJIAR-CHWSQXEVSA-N 2 2 314.455 0.932 10 0 DCAELP c1cn(CCCCNc2cc[nH+]c(N3CCOCC3)n2)c[nH+]1 ZINC000546051322 416676716 /nfs/dbraw/zinc/67/67/16/416676716.db2.gz MRKFQDSYCTWCAX-UHFFFAOYSA-N 2 2 302.382 1.402 10 0 DCAELP CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369275070 416743079 /nfs/dbraw/zinc/74/30/79/416743079.db2.gz VFIOGDLHBILJDB-GDBMZVCRSA-N 2 2 322.453 0.282 10 0 DCAELP CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369275070 416743088 /nfs/dbraw/zinc/74/30/88/416743088.db2.gz VFIOGDLHBILJDB-GDBMZVCRSA-N 2 2 322.453 0.282 10 0 DCAELP CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000631832868 416755230 /nfs/dbraw/zinc/75/52/30/416755230.db2.gz ORMQBLLEIPNKLS-UKRRQHHQSA-N 2 2 310.442 0.269 10 0 DCAELP CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000631832868 416755238 /nfs/dbraw/zinc/75/52/38/416755238.db2.gz ORMQBLLEIPNKLS-UKRRQHHQSA-N 2 2 310.442 0.269 10 0 DCAELP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000638274376 417399791 /nfs/dbraw/zinc/39/97/91/417399791.db2.gz HTQJKUPGKYBKJB-CVEARBPZSA-N 2 2 304.438 0.608 10 0 DCAELP COC(=O)[C@](C)(O)C[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000580477848 417704972 /nfs/dbraw/zinc/70/49/72/417704972.db2.gz GHNVEZPAETUUIT-BLLLJJGKSA-N 2 2 307.394 0.933 10 0 DCAELP COC(=O)[C@](C)(O)C[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000580477848 417704974 /nfs/dbraw/zinc/70/49/74/417704974.db2.gz GHNVEZPAETUUIT-BLLLJJGKSA-N 2 2 307.394 0.933 10 0 DCAELP Cc1nc(N2CCN(C(=O)N[C@H](C)C[NH+](C)C)CC2)cc[nH+]1 ZINC000358495345 271052610 /nfs/dbraw/zinc/05/26/10/271052610.db2.gz DFCXWWRWYHBEBZ-GFCCVEGCSA-N 2 2 306.414 0.567 10 0 DCAELP C[NH+]1CCC([C@@H]2CCN(C(=O)c3n[nH]c4c3C[NH2+]CC4)C2)CC1 ZINC000262809873 277032971 /nfs/dbraw/zinc/03/29/71/277032971.db2.gz TYVWWCJLYYAWIJ-CYBMUJFWSA-N 2 2 317.437 0.859 10 0 DCAELP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000408389920 277237168 /nfs/dbraw/zinc/23/71/68/277237168.db2.gz PIKOTMKHMXSXEU-NWDGAFQWSA-N 2 2 319.409 0.853 10 0 DCAELP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000408389920 277237171 /nfs/dbraw/zinc/23/71/71/277237171.db2.gz PIKOTMKHMXSXEU-NWDGAFQWSA-N 2 2 319.409 0.853 10 0 DCAELP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000176142118 279172189 /nfs/dbraw/zinc/17/21/89/279172189.db2.gz AZYXQZBCXOFEJA-LSDHHAIUSA-N 2 2 321.425 0.696 10 0 DCAELP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000176142118 279172191 /nfs/dbraw/zinc/17/21/91/279172191.db2.gz AZYXQZBCXOFEJA-LSDHHAIUSA-N 2 2 321.425 0.696 10 0 DCAELP O=C(NCCCn1cc[nH+]c1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000552703408 288279255 /nfs/dbraw/zinc/27/92/55/288279255.db2.gz XSGQQCSHALIDPT-UHFFFAOYSA-N 2 2 312.333 0.676 10 0 DCAELP O=C(NCCNc1cc[nH+]cc1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000554387929 288319711 /nfs/dbraw/zinc/31/97/11/288319711.db2.gz BETYUXRCAPQAJZ-MRXNPFEDSA-N 2 2 318.421 0.675 10 0 DCAELP O=C(NCCNc1cc[nH+]cc1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000554387929 288319716 /nfs/dbraw/zinc/31/97/16/288319716.db2.gz BETYUXRCAPQAJZ-MRXNPFEDSA-N 2 2 318.421 0.675 10 0 DCAELP Cn1cc[nH+]c1N1CC[NH+](C[C@H](O)COC[C@@H]2CCCO2)CC1 ZINC000534109912 518195239 /nfs/dbraw/zinc/19/52/39/518195239.db2.gz IWJOKBYBAJUNGD-GJZGRUSLSA-N 2 2 324.425 0.099 10 0 DCAELP CC[N@@H+]1CC[C@H](N(C)C(=O)c2n[nH]c3c2C[NH2+]CC3)[C@@H](C)C1 ZINC000249003846 521718894 /nfs/dbraw/zinc/71/88/94/521718894.db2.gz RSZJBRKFJFQFGB-FZMZJTMJSA-N 2 2 305.426 0.858 10 0 DCAELP CC[N@H+]1CC[C@H](N(C)C(=O)c2n[nH]c3c2C[NH2+]CC3)[C@@H](C)C1 ZINC000249003846 521718895 /nfs/dbraw/zinc/71/88/95/521718895.db2.gz RSZJBRKFJFQFGB-FZMZJTMJSA-N 2 2 305.426 0.858 10 0 DCAELP C[C@H](CNC(=O)Nc1ccn(CC[NH+](C)C)n1)[NH+]1CCOCC1 ZINC000156242358 524433486 /nfs/dbraw/zinc/43/34/86/524433486.db2.gz FBUBPJPZNADRTP-CYBMUJFWSA-N 2 2 324.429 0.287 10 0 DCAELP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1COCC[NH2+]1 ZINC000238056303 545959280 /nfs/dbraw/zinc/95/92/80/545959280.db2.gz WBHIGPNXKCWNIR-INIZCTEOSA-N 2 2 319.405 0.123 10 0 DCAELP C[C@H]([C@H](C)NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)[NH+]1CCOCC1 ZINC000333364706 546078656 /nfs/dbraw/zinc/07/86/56/546078656.db2.gz LRDQGGDHRTYNPY-GBJTYRQASA-N 2 2 310.442 0.347 10 0 DCAELP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)NCCn2cc[nH+]c2)C1 ZINC000276107090 529788448 /nfs/dbraw/zinc/78/84/48/529788448.db2.gz WVEBDTWWTVENMD-HNNXBMFYSA-N 2 2 321.425 0.635 10 0 DCAELP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)NCCn2cc[nH+]c2)C1 ZINC000276107090 529788450 /nfs/dbraw/zinc/78/84/50/529788450.db2.gz WVEBDTWWTVENMD-HNNXBMFYSA-N 2 2 321.425 0.635 10 0 DCAELP C[N@H+](CC(=O)NC(N)=O)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080969062 192207790 /nfs/dbraw/zinc/20/77/90/192207790.db2.gz GVTBCZOEJHFYOZ-UHFFFAOYSA-N 2 2 319.409 0.215 10 0 DCAELP C[N@@H+](CC(=O)NC(N)=O)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080969062 192207794 /nfs/dbraw/zinc/20/77/94/192207794.db2.gz GVTBCZOEJHFYOZ-UHFFFAOYSA-N 2 2 319.409 0.215 10 0 DCAELP C[C@H](CNC(=O)NC[C@H]1CCc2[nH+]ccn2C1)[NH+]1CCOCC1 ZINC000275307630 212264375 /nfs/dbraw/zinc/26/43/75/212264375.db2.gz HPHWTFBPWISPRM-ZIAGYGMSSA-N 2 2 321.425 0.465 10 0 DCAELP C[C@@H](CNC(=O)NC[C@H]1C[N@H+](C)CCO1)C[NH+]1CCCCC1 ZINC000105167641 194080543 /nfs/dbraw/zinc/08/05/43/194080543.db2.gz MUCCVDMIOXHYCP-GJZGRUSLSA-N 2 2 312.458 0.738 10 0 DCAELP C[C@@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCO1)C[NH+]1CCCCC1 ZINC000105167641 194080545 /nfs/dbraw/zinc/08/05/45/194080545.db2.gz MUCCVDMIOXHYCP-GJZGRUSLSA-N 2 2 312.458 0.738 10 0 DCAELP C[C@@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCO1)C[NH+]1CCCCC1 ZINC000105167633 194081317 /nfs/dbraw/zinc/08/13/17/194081317.db2.gz MUCCVDMIOXHYCP-LSDHHAIUSA-N 2 2 312.458 0.738 10 0 DCAELP C[C@@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1)C[NH+]1CCCCC1 ZINC000105167633 194081320 /nfs/dbraw/zinc/08/13/20/194081320.db2.gz MUCCVDMIOXHYCP-LSDHHAIUSA-N 2 2 312.458 0.738 10 0 DCAELP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@H](C)[NH+]2CCOCC2)C1 ZINC000175008373 284828101 /nfs/dbraw/zinc/82/81/01/284828101.db2.gz AQOOXGABKRXORB-GJZGRUSLSA-N 2 2 312.458 0.833 10 0 DCAELP COc1ncccc1C[N@@H+]1C[C@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC000248036307 257110774 /nfs/dbraw/zinc/11/07/74/257110774.db2.gz UVDSWUWDHIIHLH-JKSUJKDBSA-N 2 2 320.437 0.537 10 0 DCAELP COc1ncccc1C[N@H+]1C[C@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC000248036307 257110775 /nfs/dbraw/zinc/11/07/75/257110775.db2.gz UVDSWUWDHIIHLH-JKSUJKDBSA-N 2 2 320.437 0.537 10 0 DCAELP CN(CC(=O)N1CC[NH2+]CC1)c1cc(C(F)(F)F)cc[nH+]1 ZINC000090803789 395719375 /nfs/dbraw/zinc/71/93/75/395719375.db2.gz JKHXJAGTRICRPI-UHFFFAOYSA-N 2 2 302.300 0.968 10 0 DCAELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC000111231130 395803264 /nfs/dbraw/zinc/80/32/64/395803264.db2.gz VDCLOEJEGAEBMY-OAHLLOKOSA-N 2 2 322.453 0.237 10 0 DCAELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC000111231130 395803267 /nfs/dbraw/zinc/80/32/67/395803267.db2.gz VDCLOEJEGAEBMY-OAHLLOKOSA-N 2 2 322.453 0.237 10 0 DCAELP C[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000245985532 395939472 /nfs/dbraw/zinc/93/94/72/395939472.db2.gz PYFIGGKSQMAIDL-ZNMIVQPWSA-N 2 2 310.442 0.443 10 0 DCAELP C[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000245985532 395939475 /nfs/dbraw/zinc/93/94/75/395939475.db2.gz PYFIGGKSQMAIDL-ZNMIVQPWSA-N 2 2 310.442 0.443 10 0 DCAELP C[NH+]1CCO[C@H](CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)C1 ZINC000245985532 395939479 /nfs/dbraw/zinc/93/94/79/395939479.db2.gz PYFIGGKSQMAIDL-ZNMIVQPWSA-N 2 2 310.442 0.443 10 0 DCAELP C[NH+]1CCO[C@H](CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)C1 ZINC000245985532 395939481 /nfs/dbraw/zinc/93/94/81/395939481.db2.gz PYFIGGKSQMAIDL-ZNMIVQPWSA-N 2 2 310.442 0.443 10 0 DCAELP C[NH+](C)C[C@H]1CN(c2cc(N3CCC[C@H]3CO)nc[nH+]2)CCO1 ZINC000246267836 395945769 /nfs/dbraw/zinc/94/57/69/395945769.db2.gz QAMRSCJEZDYHBR-KBPBESRZSA-N 2 2 321.425 0.205 10 0 DCAELP C[NH+](C)C[C@H]1CN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)CCO1 ZINC000246267836 395945773 /nfs/dbraw/zinc/94/57/73/395945773.db2.gz QAMRSCJEZDYHBR-KBPBESRZSA-N 2 2 321.425 0.205 10 0 DCAELP C[C@H](CNC(=O)N(C)CCCn1cc[nH+]c1)[NH+]1CCOCC1 ZINC000137072821 395950168 /nfs/dbraw/zinc/95/01/68/395950168.db2.gz XRANKJFRLUDJQN-CQSZACIVSA-N 2 2 309.414 0.635 10 0 DCAELP C[N@@H+]1CCCN(c2ccc(NC(=O)[C@H]3COCC[NH2+]3)cc2)CC1 ZINC000246498950 395951470 /nfs/dbraw/zinc/95/14/70/395951470.db2.gz PTHUYNMTUCTOGL-MRXNPFEDSA-N 2 2 318.421 0.755 10 0 DCAELP C[N@H+]1CCCN(c2ccc(NC(=O)[C@H]3COCC[NH2+]3)cc2)CC1 ZINC000246498950 395951473 /nfs/dbraw/zinc/95/14/73/395951473.db2.gz PTHUYNMTUCTOGL-MRXNPFEDSA-N 2 2 318.421 0.755 10 0 DCAELP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000262075476 396096470 /nfs/dbraw/zinc/09/64/70/396096470.db2.gz CAOMOHMTSDJFRB-DOMZBBRYSA-N 2 2 304.394 0.544 10 0 DCAELP CC(C)n1nnnc1C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000162055650 396078426 /nfs/dbraw/zinc/07/84/26/396078426.db2.gz RCUPLPCWEPVTJD-HNNXBMFYSA-N 2 2 321.473 0.856 10 0 DCAELP CC(C)n1nnnc1C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000162055650 396078431 /nfs/dbraw/zinc/07/84/31/396078431.db2.gz RCUPLPCWEPVTJD-HNNXBMFYSA-N 2 2 321.473 0.856 10 0 DCAELP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000176142174 396150513 /nfs/dbraw/zinc/15/05/13/396150513.db2.gz AZYXQZBCXOFEJA-CABCVRRESA-N 2 2 321.425 0.696 10 0 DCAELP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000176142174 396150515 /nfs/dbraw/zinc/15/05/15/396150515.db2.gz AZYXQZBCXOFEJA-CABCVRRESA-N 2 2 321.425 0.696 10 0 DCAELP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000181684250 396241438 /nfs/dbraw/zinc/24/14/38/396241438.db2.gz VPSVSECBWWBGJL-LLVKDONJSA-N 2 2 311.348 0.396 10 0 DCAELP CC[N@H+](CCO)CC[NH2+]Cc1cc(OC)c2c(c1)OCCO2 ZINC000184546834 396298814 /nfs/dbraw/zinc/29/88/14/396298814.db2.gz ASBNDGLZYIOXCX-UHFFFAOYSA-N 2 2 310.394 0.870 10 0 DCAELP CC[N@@H+](CCO)CC[NH2+]Cc1cc(OC)c2c(c1)OCCO2 ZINC000184546834 396298818 /nfs/dbraw/zinc/29/88/18/396298818.db2.gz ASBNDGLZYIOXCX-UHFFFAOYSA-N 2 2 310.394 0.870 10 0 DCAELP CN(C)c1noc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)n1 ZINC000185248247 396323143 /nfs/dbraw/zinc/32/31/43/396323143.db2.gz HJRFDIOBWCXGNX-UHFFFAOYSA-N 2 2 309.414 0.680 10 0 DCAELP O=C(Nc1ccc(-n2cc[nH+]c2)nc1)c1n[nH]c2c1C[NH2+]CC2 ZINC000188715602 396384891 /nfs/dbraw/zinc/38/48/91/396384891.db2.gz LQDJCEDVJZZCME-UHFFFAOYSA-N 2 2 309.333 0.888 10 0 DCAELP CCOCC[N@H+]1CCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)C[C@@H]1C ZINC000188762234 396385666 /nfs/dbraw/zinc/38/56/66/396385666.db2.gz QJVLVNIIKUXEDM-LBPRGKRZSA-N 2 2 321.425 0.238 10 0 DCAELP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000077793221 158070207 /nfs/dbraw/zinc/07/02/07/158070207.db2.gz OCIXIQUATQUTTN-ZIAGYGMSSA-N 2 2 300.447 0.737 10 0 DCAELP CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000093168516 158118436 /nfs/dbraw/zinc/11/84/36/158118436.db2.gz IVYFFTJHXPCXIV-AWEZNQCLSA-N 2 2 310.442 0.093 10 0 DCAELP CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000093168516 158118439 /nfs/dbraw/zinc/11/84/39/158118439.db2.gz IVYFFTJHXPCXIV-AWEZNQCLSA-N 2 2 310.442 0.093 10 0 DCAELP Cn1cc[nH+]c1CC1CC[NH+](CC(=O)NC[C@@H]2CCCO2)CC1 ZINC000105918612 158132213 /nfs/dbraw/zinc/13/22/13/158132213.db2.gz CZUXYWXEIANZCK-HNNXBMFYSA-N 2 2 320.437 0.970 10 0 DCAELP O=C(N1CC[NH+](C[C@H](O)c2ccccc2)CC1)[C@@]1(F)CC[NH2+]C1 ZINC000167975481 158370504 /nfs/dbraw/zinc/37/05/04/158370504.db2.gz XAXNQODQLGBEDQ-DOTOQJQBSA-N 2 2 321.396 0.566 10 0 DCAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCCS(N)(=O)=O)C1 ZINC000171614934 158384452 /nfs/dbraw/zinc/38/44/52/158384452.db2.gz MPGNNQLTHBIVPN-LBPRGKRZSA-N 2 2 300.428 0.761 10 0 DCAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCCS(N)(=O)=O)C1 ZINC000171614934 158384453 /nfs/dbraw/zinc/38/44/53/158384453.db2.gz MPGNNQLTHBIVPN-LBPRGKRZSA-N 2 2 300.428 0.761 10 0 DCAELP CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000329367166 159085910 /nfs/dbraw/zinc/08/59/10/159085910.db2.gz ITINIGZLRWWBOO-OAHLLOKOSA-N 2 2 320.437 0.922 10 0 DCAELP CC[N@H+]1CCOC[C@@H]1C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000329367166 159085911 /nfs/dbraw/zinc/08/59/11/159085911.db2.gz ITINIGZLRWWBOO-OAHLLOKOSA-N 2 2 320.437 0.922 10 0 DCAELP CO[C@@H]1COC[C@H]1n1cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)nn1 ZINC000329521834 159099073 /nfs/dbraw/zinc/09/90/73/159099073.db2.gz PBZXDHLSZOWTOH-BHQQPIICSA-N 2 2 323.441 0.683 10 0 DCAELP CO[C@@H]1COC[C@H]1n1cc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)nn1 ZINC000329521834 159099074 /nfs/dbraw/zinc/09/90/74/159099074.db2.gz PBZXDHLSZOWTOH-BHQQPIICSA-N 2 2 323.441 0.683 10 0 DCAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC000247046735 287090608 /nfs/dbraw/zinc/09/06/08/287090608.db2.gz NZTBLUMQDARDNP-HOCLYGCPSA-N 2 2 324.469 0.339 10 0 DCAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC000247046735 287090611 /nfs/dbraw/zinc/09/06/11/287090611.db2.gz NZTBLUMQDARDNP-HOCLYGCPSA-N 2 2 324.469 0.339 10 0 DCAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC000247046735 287090614 /nfs/dbraw/zinc/09/06/14/287090614.db2.gz NZTBLUMQDARDNP-HOCLYGCPSA-N 2 2 324.469 0.339 10 0 DCAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC000247046735 287090615 /nfs/dbraw/zinc/09/06/15/287090615.db2.gz NZTBLUMQDARDNP-HOCLYGCPSA-N 2 2 324.469 0.339 10 0 DCAELP CC1(C)C[N@H+](CCNC(=O)N2CCC3(CC[NH2+]3)CC2)CCO1 ZINC000333256893 415596032 /nfs/dbraw/zinc/59/60/32/415596032.db2.gz ICQXRCQDWNEZDC-UHFFFAOYSA-N 2 2 310.442 0.635 10 0 DCAELP CC1(C)C[N@@H+](CCNC(=O)N2CCC3(CC[NH2+]3)CC2)CCO1 ZINC000333256893 415596037 /nfs/dbraw/zinc/59/60/37/415596037.db2.gz ICQXRCQDWNEZDC-UHFFFAOYSA-N 2 2 310.442 0.635 10 0 DCAELP C[N@@H+]1CCO[C@H]2CCN(C(=O)NC[C@H]3CC[C@H](C[NH3+])CC3)C[C@@H]21 ZINC000333758401 415731407 /nfs/dbraw/zinc/73/14/07/415731407.db2.gz AECDNXSYNLFRMV-VGWMRTNUSA-N 2 2 324.469 0.866 10 0 DCAELP C[N@H+]1CCO[C@H]2CCN(C(=O)NC[C@H]3CC[C@H](C[NH3+])CC3)C[C@@H]21 ZINC000333758401 415731413 /nfs/dbraw/zinc/73/14/13/415731413.db2.gz AECDNXSYNLFRMV-VGWMRTNUSA-N 2 2 324.469 0.866 10 0 DCAELP Cn1cc[nH+]c1[C@@H]1CN(C(=O)N[C@H]2CCCC[NH2+]C2)CCN1C ZINC000333882244 415757270 /nfs/dbraw/zinc/75/72/70/415757270.db2.gz WKTBTPHRKDKTEG-KBPBESRZSA-N 2 2 320.441 0.560 10 0 DCAELP CC(C)[NH+]1CCC(NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CC1 ZINC000173386655 416057813 /nfs/dbraw/zinc/05/78/13/416057813.db2.gz QQRJMMRSZMKSJI-INIZCTEOSA-N 2 2 324.469 0.975 10 0 DCAELP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCn2cc[nH+]c21 ZINC000175127641 416097507 /nfs/dbraw/zinc/09/75/07/416097507.db2.gz IDFVRRJONFSJAO-ZIAGYGMSSA-N 2 2 306.410 0.988 10 0 DCAELP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCn2cc[nH+]c21 ZINC000175127641 416097511 /nfs/dbraw/zinc/09/75/11/416097511.db2.gz IDFVRRJONFSJAO-ZIAGYGMSSA-N 2 2 306.410 0.988 10 0 DCAELP C1=CC[NH+]([C@@H]2CCN(c3nc(N[C@H]4CCCOC4)cc[nH+]3)C2)C1 ZINC000328656180 416125494 /nfs/dbraw/zinc/12/54/94/416125494.db2.gz ZBSVWGHJTPTUFM-LSDHHAIUSA-N 2 2 315.421 1.518 10 0 DCAELP C[C@H]1CN(CC[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CCO1 ZINC000192737080 416310496 /nfs/dbraw/zinc/31/04/96/416310496.db2.gz LASBGODDFJEBNA-ROUUACIJSA-N 2 2 324.513 0.809 10 0 DCAELP C[C@H]1CN(CC[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CCO1 ZINC000192737080 416310499 /nfs/dbraw/zinc/31/04/99/416310499.db2.gz LASBGODDFJEBNA-ROUUACIJSA-N 2 2 324.513 0.809 10 0 DCAELP COc1cc[nH+]cc1CNC(=O)NCCNc1cc[nH+]cc1 ZINC000458815261 416500515 /nfs/dbraw/zinc/50/05/15/416500515.db2.gz RPYAXDUWDYNTCF-UHFFFAOYSA-N 2 2 301.350 0.818 10 0 DCAELP C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C1 ZINC000551987769 288255506 /nfs/dbraw/zinc/25/55/06/288255506.db2.gz CTCDEYFLEFBEDL-YUTCNCBUSA-N 2 2 304.394 0.761 10 0 DCAELP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000560985692 288522634 /nfs/dbraw/zinc/52/26/34/288522634.db2.gz FVUGDXZUALAWOR-LLVKDONJSA-N 2 2 312.333 0.674 10 0 DCAELP Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)[C@@H]3CCC[NH2+]3)C2=O)n(C)n1 ZINC000333318630 301335651 /nfs/dbraw/zinc/33/56/51/301335651.db2.gz UBFWFYNVKCIYRA-MELADBBJSA-N 2 2 305.426 0.954 10 0 DCAELP COc1cc[nH+]c(CN2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c1OC ZINC000190523160 524829695 /nfs/dbraw/zinc/82/96/95/524829695.db2.gz GWBMOGNUBMGYKB-QWHCGFSZSA-N 2 2 309.410 0.986 10 0 DCAELP COc1cc[nH+]c(CN2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c1OC ZINC000190523160 524829706 /nfs/dbraw/zinc/82/97/06/524829706.db2.gz GWBMOGNUBMGYKB-QWHCGFSZSA-N 2 2 309.410 0.986 10 0 DCAELP C[C@@]1(F)C[NH2+]CCN(C(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000333730795 546089813 /nfs/dbraw/zinc/08/98/13/546089813.db2.gz HTHBQGJZXSCACR-CQSZACIVSA-N 2 2 314.405 0.194 10 0 DCAELP CCc1cc(N(C)C[C@@H](O)CN2CC[NH+](C)CC2)nc(C)[nH+]1 ZINC000302028108 529528789 /nfs/dbraw/zinc/52/87/89/529528789.db2.gz ARAXBXJDHLAJNS-OAHLLOKOSA-N 2 2 307.442 0.392 10 0 DCAELP CCc1cc(N(C)C[C@@H](O)C[NH+]2CCN(C)CC2)nc(C)[nH+]1 ZINC000302028108 529528790 /nfs/dbraw/zinc/52/87/90/529528790.db2.gz ARAXBXJDHLAJNS-OAHLLOKOSA-N 2 2 307.442 0.392 10 0 DCAELP C[NH+](C)C[C@H]1CN(C(=O)Cc2cn3ccccc3[nH+]2)CCO1 ZINC000172306387 198076570 /nfs/dbraw/zinc/07/65/70/198076570.db2.gz PXOQWEFBTHLYPE-AWEZNQCLSA-N 2 2 302.378 0.666 10 0 DCAELP C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174400200 198330959 /nfs/dbraw/zinc/33/09/59/198330959.db2.gz FABSLHDPMKSQGJ-CQSZACIVSA-N 2 2 304.394 0.635 10 0 DCAELP C[N@H+](CC(=O)NC(N)=O)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174400200 198330960 /nfs/dbraw/zinc/33/09/60/198330960.db2.gz FABSLHDPMKSQGJ-CQSZACIVSA-N 2 2 304.394 0.635 10 0 DCAELP C[NH+](CC(=O)NC(N)=O)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174400200 198330962 /nfs/dbraw/zinc/33/09/62/198330962.db2.gz FABSLHDPMKSQGJ-CQSZACIVSA-N 2 2 304.394 0.635 10 0 DCAELP C[NH+](CC(=O)NC(N)=O)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174400200 198330964 /nfs/dbraw/zinc/33/09/64/198330964.db2.gz FABSLHDPMKSQGJ-CQSZACIVSA-N 2 2 304.394 0.635 10 0 DCAELP C[C@@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000170804596 295951051 /nfs/dbraw/zinc/95/10/51/295951051.db2.gz DGXFRZOZPCLKSU-JKSUJKDBSA-N 2 2 324.469 0.977 10 0 DCAELP CC(=O)N[C@@H](C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154295009 291212707 /nfs/dbraw/zinc/21/27/07/291212707.db2.gz KTFPXJRCQJVVSW-NTQSIJHJSA-N 2 2 322.453 0.280 10 0 DCAELP CC(=O)N[C@@H](C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000154295009 291212709 /nfs/dbraw/zinc/21/27/09/291212709.db2.gz KTFPXJRCQJVVSW-NTQSIJHJSA-N 2 2 322.453 0.280 10 0 DCAELP C[NH+]1CCN(Nc2[nH+]cnc(Nc3cc[nH+]cc3)c2N)CC1 ZINC000040687561 183117720 /nfs/dbraw/zinc/11/77/20/183117720.db2.gz FTUSVJKEFVTBRR-UHFFFAOYSA-N 3 2 300.370 0.772 10 0 DCAELP CCCNC(=O)NC(=O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105875539 194152584 /nfs/dbraw/zinc/15/25/84/194152584.db2.gz SQABAFHAIJGXCO-UHFFFAOYSA-N 2 2 321.425 0.910 10 0 DCAELP CCNC(=O)NC(=O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105875565 194153354 /nfs/dbraw/zinc/15/33/54/194153354.db2.gz GZQLHYHWKMIBFP-UHFFFAOYSA-N 2 2 307.398 0.520 10 0 DCAELP C[C@H]1CCC[N@H+](CCNC(=O)CN2CCc3[nH+]cn(C)c3C2)C1 ZINC000065293029 184323791 /nfs/dbraw/zinc/32/37/91/184323791.db2.gz AILNSTWEXRBREH-AWEZNQCLSA-N 2 2 319.453 0.626 10 0 DCAELP C[C@H]1CCC[N@@H+](CCNC(=O)CN2CCc3[nH+]cn(C)c3C2)C1 ZINC000065293029 184323792 /nfs/dbraw/zinc/32/37/92/184323792.db2.gz AILNSTWEXRBREH-AWEZNQCLSA-N 2 2 319.453 0.626 10 0 DCAELP C[NH+](C)CC(=O)N1Cc2c[nH+]cn2[C@H](COc2ccccn2)C1 ZINC000248063390 257110682 /nfs/dbraw/zinc/11/06/82/257110682.db2.gz ZKWPXFPKOFKOJA-AWEZNQCLSA-N 2 2 315.377 0.802 10 0 DCAELP Cc1[nH+]ccn1CCCNC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000283942401 131035695 /nfs/dbraw/zinc/03/56/95/131035695.db2.gz JURZUFGTUGKVOY-LSDHHAIUSA-N 2 2 321.425 0.696 10 0 DCAELP Cc1[nH+]ccn1CCCNC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000283942401 131035696 /nfs/dbraw/zinc/03/56/96/131035696.db2.gz JURZUFGTUGKVOY-LSDHHAIUSA-N 2 2 321.425 0.696 10 0 DCAELP C[NH+](C)C[C@H]1CN(C(=O)NCCCNc2cccc[nH+]2)CCO1 ZINC000117033679 395850536 /nfs/dbraw/zinc/85/05/36/395850536.db2.gz MPOYXBLKYJQDOP-AWEZNQCLSA-N 2 2 321.425 0.856 10 0 DCAELP COc1cccc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)c1OC ZINC000261863639 396073483 /nfs/dbraw/zinc/07/34/83/396073483.db2.gz GGPQKCIUQKPULF-UHFFFAOYSA-N 2 2 307.394 0.567 10 0 DCAELP COc1cccc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)c1OC ZINC000261863639 396073486 /nfs/dbraw/zinc/07/34/86/396073486.db2.gz GGPQKCIUQKPULF-UHFFFAOYSA-N 2 2 307.394 0.567 10 0 DCAELP COc1cc[nH+]c(N2CCN(Cc3noc(C[NH3+])n3)CC2)c1 ZINC000261810182 396067671 /nfs/dbraw/zinc/06/76/71/396067671.db2.gz RMWSQLQQXVZYJN-UHFFFAOYSA-N 2 2 304.354 0.254 10 0 DCAELP C[C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)CC(=O)N2CC[NH2+]CC2)[C@H]1C ZINC000261822596 396069424 /nfs/dbraw/zinc/06/94/24/396069424.db2.gz WRSLKPAPZMUFRR-QLFBSQMISA-N 2 2 324.469 0.291 10 0 DCAELP C[C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)[C@H]1C ZINC000261822596 396069428 /nfs/dbraw/zinc/06/94/28/396069428.db2.gz WRSLKPAPZMUFRR-QLFBSQMISA-N 2 2 324.469 0.291 10 0 DCAELP Cn1ncc2c1nc(NC[C@@H](O)C[NH+]1CCCCC1)[nH+]c2N ZINC000276519996 396006403 /nfs/dbraw/zinc/00/64/03/396006403.db2.gz UUCUKRFVLGTRJB-SNVBAGLBSA-N 2 2 305.386 0.204 10 0 DCAELP C[NH2+]CCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000262448876 396141256 /nfs/dbraw/zinc/14/12/56/396141256.db2.gz VPSVTABLYYRELC-STQMWFEESA-N 2 2 306.410 0.921 10 0 DCAELP Cc1cnn(CCNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000175775611 396142596 /nfs/dbraw/zinc/14/25/96/396142596.db2.gz HCRRGUPAUFZDRH-UHFFFAOYSA-N 2 2 322.457 0.517 10 0 DCAELP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000262398574 396135666 /nfs/dbraw/zinc/13/56/66/396135666.db2.gz QUOSDFGCKRGUGN-IHRRRGAJSA-N 2 2 322.453 0.186 10 0 DCAELP C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000173909001 396136114 /nfs/dbraw/zinc/13/61/14/396136114.db2.gz XNNUUAFNFCUZNA-GJZGRUSLSA-N 2 2 310.442 0.444 10 0 DCAELP C[N@H+]1CCC[C@@H](CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000173909001 396136116 /nfs/dbraw/zinc/13/61/16/396136116.db2.gz XNNUUAFNFCUZNA-GJZGRUSLSA-N 2 2 310.442 0.444 10 0 DCAELP C[C@H](CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[N@H+](C)C1CC1 ZINC000173908620 396136535 /nfs/dbraw/zinc/13/65/35/396136535.db2.gz OJYWDHQDAYHCDK-HIFRSBDPSA-N 2 2 310.442 0.585 10 0 DCAELP C[C@H](CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[N@@H+](C)C1CC1 ZINC000173908620 396136537 /nfs/dbraw/zinc/13/65/37/396136537.db2.gz OJYWDHQDAYHCDK-HIFRSBDPSA-N 2 2 310.442 0.585 10 0 DCAELP CC(C)n1nnnc1CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000162193506 396079190 /nfs/dbraw/zinc/07/91/90/396079190.db2.gz WYOJPLCWOLWFPN-UHFFFAOYSA-N 2 2 309.462 0.712 10 0 DCAELP CC(C)n1nnnc1CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000162193506 396079192 /nfs/dbraw/zinc/07/91/92/396079192.db2.gz WYOJPLCWOLWFPN-UHFFFAOYSA-N 2 2 309.462 0.712 10 0 DCAELP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261965989 396085190 /nfs/dbraw/zinc/08/51/90/396085190.db2.gz HTGSNVPLAMXQMC-RDJZCZTQSA-N 2 2 308.470 0.615 10 0 DCAELP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000262569098 396156732 /nfs/dbraw/zinc/15/67/32/396156732.db2.gz XEFDJJCJOIPBOA-BRXULGCHSA-N 2 2 306.410 0.920 10 0 DCAELP C[NH+]1CCN(C(=O)C[N@@H+]2CCCN(c3ccccn3)CC2)CC1 ZINC000183850968 396276528 /nfs/dbraw/zinc/27/65/28/396276528.db2.gz ZQPBREKAQGSCCQ-UHFFFAOYSA-N 2 2 317.437 0.368 10 0 DCAELP C[NH+]1CCN(C(=O)C[N@H+]2CCCN(c3ccccn3)CC2)CC1 ZINC000183850968 396276529 /nfs/dbraw/zinc/27/65/29/396276529.db2.gz ZQPBREKAQGSCCQ-UHFFFAOYSA-N 2 2 317.437 0.368 10 0 DCAELP C[N@@H+]1CCO[C@H](C(=O)N2CCCN(c3cccc[nH+]3)CC2)C1 ZINC000186429681 396349934 /nfs/dbraw/zinc/34/99/34/396349934.db2.gz IIANFDSVVFCBOM-AWEZNQCLSA-N 2 2 304.394 0.451 10 0 DCAELP C[N@H+]1CCO[C@H](C(=O)N2CCCN(c3cccc[nH+]3)CC2)C1 ZINC000186429681 396349936 /nfs/dbraw/zinc/34/99/36/396349936.db2.gz IIANFDSVVFCBOM-AWEZNQCLSA-N 2 2 304.394 0.451 10 0 DCAELP C[C@H](c1nnnn1C)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000189721276 396397554 /nfs/dbraw/zinc/39/75/54/396397554.db2.gz IADWZPJFXHDJTH-KGLIPLIRSA-N 2 2 307.446 0.373 10 0 DCAELP C[C@H](c1nnnn1C)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000189721276 396397556 /nfs/dbraw/zinc/39/75/56/396397556.db2.gz IADWZPJFXHDJTH-KGLIPLIRSA-N 2 2 307.446 0.373 10 0 DCAELP C[C@@H]1CN(C(=O)[C@@H]2COCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000396398846 397310378 /nfs/dbraw/zinc/31/03/78/397310378.db2.gz WWAXTXRKCAUYCW-ZBFHGGJFSA-N 2 2 303.406 0.708 10 0 DCAELP C[C@@H]1CN(C(=O)[C@@H]2COCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000396398846 397310380 /nfs/dbraw/zinc/31/03/80/397310380.db2.gz WWAXTXRKCAUYCW-ZBFHGGJFSA-N 2 2 303.406 0.708 10 0 DCAELP C=Cn1cc(C[NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)cn1 ZINC000578290355 397415739 /nfs/dbraw/zinc/41/57/39/397415739.db2.gz YTPMDBSJPPCEQS-AWEZNQCLSA-N 2 2 314.393 0.998 10 0 DCAELP COc1c(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c(C)nn1C ZINC000093664849 158121560 /nfs/dbraw/zinc/12/15/60/158121560.db2.gz DADLHXOQVYVMTL-CQSZACIVSA-N 2 2 308.426 0.891 10 0 DCAELP COc1c(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c(C)nn1C ZINC000093664849 158121563 /nfs/dbraw/zinc/12/15/63/158121563.db2.gz DADLHXOQVYVMTL-CQSZACIVSA-N 2 2 308.426 0.891 10 0 DCAELP CC[NH+]1CCN(C(=O)c2cccc(N3CC[NH+](C)CC3)n2)CC1 ZINC000096780348 158124588 /nfs/dbraw/zinc/12/45/88/158124588.db2.gz QJLAKVZICLIETI-UHFFFAOYSA-N 2 2 317.437 0.611 10 0 DCAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCNS(C)(=O)=O)C1 ZINC000119986432 158192079 /nfs/dbraw/zinc/19/20/79/158192079.db2.gz MRGIKQWZSVKEGA-LBPRGKRZSA-N 2 2 300.428 0.224 10 0 DCAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000119986432 158192081 /nfs/dbraw/zinc/19/20/81/158192081.db2.gz MRGIKQWZSVKEGA-LBPRGKRZSA-N 2 2 300.428 0.224 10 0 DCAELP C[C@@H]1C[N@@H+](C2CC[NH+](CCN3C(=O)CCC3=O)CC2)CCO1 ZINC000124112135 158238527 /nfs/dbraw/zinc/23/85/27/158238527.db2.gz UUOXIBWSNWWFMK-CYBMUJFWSA-N 2 2 309.410 0.321 10 0 DCAELP C[C@@H]1C[N@H+](C2CC[NH+](CCN3C(=O)CCC3=O)CC2)CCO1 ZINC000124112135 158238532 /nfs/dbraw/zinc/23/85/32/158238532.db2.gz UUOXIBWSNWWFMK-CYBMUJFWSA-N 2 2 309.410 0.321 10 0 DCAELP O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@@H]1COCC[NH2+]1 ZINC000168845322 158372481 /nfs/dbraw/zinc/37/24/81/158372481.db2.gz NRLGCYLTRZUJSM-AWEZNQCLSA-N 2 2 311.426 0.126 10 0 DCAELP C[NH+]1CCN(C(=O)Cc2noc([C@H]3CCC[N@@H+]3C3CC3)n2)CC1 ZINC000329669697 159110662 /nfs/dbraw/zinc/11/06/62/159110662.db2.gz MLODVJCMPYQMEB-CYBMUJFWSA-N 2 2 319.409 0.685 10 0 DCAELP C[NH+]1CCN(C(=O)Cc2noc([C@H]3CCC[N@H+]3C3CC3)n2)CC1 ZINC000329669697 159110663 /nfs/dbraw/zinc/11/06/63/159110663.db2.gz MLODVJCMPYQMEB-CYBMUJFWSA-N 2 2 319.409 0.685 10 0 DCAELP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCOCC1 ZINC000132564285 287005974 /nfs/dbraw/zinc/00/59/74/287005974.db2.gz YSNQWNVBXDTDCR-OAHLLOKOSA-N 2 2 312.458 0.738 10 0 DCAELP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCOCC1 ZINC000132564285 287005975 /nfs/dbraw/zinc/00/59/75/287005975.db2.gz YSNQWNVBXDTDCR-OAHLLOKOSA-N 2 2 312.458 0.738 10 0 DCAELP Cn1cc[nH+]c1[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+]2C)CCN1C ZINC000275350244 415376210 /nfs/dbraw/zinc/37/62/10/415376210.db2.gz IBGYEUDISZHSIL-KBPBESRZSA-N 2 2 320.441 0.512 10 0 DCAELP Cn1cc[nH+]c1[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+]2C)CCN1C ZINC000275350244 415376217 /nfs/dbraw/zinc/37/62/17/415376217.db2.gz IBGYEUDISZHSIL-KBPBESRZSA-N 2 2 320.441 0.512 10 0 DCAELP C[C@@H](NC(=O)NC[C@H](C)[NH+]1CCOCC1)C(C)(C)C[NH+](C)C ZINC000085358944 415503838 /nfs/dbraw/zinc/50/38/38/415503838.db2.gz PUANZSMHOGKGRV-UONOGXRCSA-N 2 2 314.474 0.983 10 0 DCAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCN(C(C)=O)CC2)[C@H](C)C1 ZINC000079462022 415472094 /nfs/dbraw/zinc/47/20/94/415472094.db2.gz NZTBLUMQDARDNP-GDBMZVCRSA-N 2 2 324.469 0.339 10 0 DCAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCN(C(C)=O)CC2)[C@H](C)C1 ZINC000079462022 415472101 /nfs/dbraw/zinc/47/21/01/415472101.db2.gz NZTBLUMQDARDNP-GDBMZVCRSA-N 2 2 324.469 0.339 10 0 DCAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N2CCN(C(C)=O)CC2)[C@H](C)C1 ZINC000079462022 415472107 /nfs/dbraw/zinc/47/21/07/415472107.db2.gz NZTBLUMQDARDNP-GDBMZVCRSA-N 2 2 324.469 0.339 10 0 DCAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N2CCN(C(C)=O)CC2)[C@H](C)C1 ZINC000079462022 415472113 /nfs/dbraw/zinc/47/21/13/415472113.db2.gz NZTBLUMQDARDNP-GDBMZVCRSA-N 2 2 324.469 0.339 10 0 DCAELP C[NH+](C)Cc1ccc(C(=O)NC[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000132831077 415936497 /nfs/dbraw/zinc/93/64/97/415936497.db2.gz ITUVYOBORQRDDY-INIZCTEOSA-N 2 2 321.421 0.171 10 0 DCAELP C[NH+]1CCN([C@H]2CCCC[N@@H+](CC(=O)NCC3CC3)C2)CC1 ZINC000174877407 416087767 /nfs/dbraw/zinc/08/77/67/416087767.db2.gz UBXQFZGVFSNZBO-INIZCTEOSA-N 2 2 308.470 0.615 10 0 DCAELP CCC[N@H+](CC)CCNC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000175273754 416101185 /nfs/dbraw/zinc/10/11/85/416101185.db2.gz KIRVYFFOIPDAMW-CQSZACIVSA-N 2 2 300.447 0.738 10 0 DCAELP CCC[N@@H+](CC)CCNC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000175273754 416101189 /nfs/dbraw/zinc/10/11/89/416101189.db2.gz KIRVYFFOIPDAMW-CQSZACIVSA-N 2 2 300.447 0.738 10 0 DCAELP C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)C1 ZINC000177498886 416146968 /nfs/dbraw/zinc/14/69/68/416146968.db2.gz KQYOHKOPSLVEFG-KGLIPLIRSA-N 2 2 307.398 0.388 10 0 DCAELP c1cn2ccc(CNc3cc[nH+]c(N4CCOCC4)n3)cc2[nH+]1 ZINC000357445642 416080962 /nfs/dbraw/zinc/08/09/62/416080962.db2.gz ZVPAFEZNXRLWRC-UHFFFAOYSA-N 2 2 310.361 1.573 10 0 DCAELP CCS(=O)(=O)NCC[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178304110 416161338 /nfs/dbraw/zinc/16/13/38/416161338.db2.gz YMGKKKBKBIZTMS-CYBMUJFWSA-N 2 2 300.428 0.595 10 0 DCAELP CCS(=O)(=O)NCC[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178304110 416161342 /nfs/dbraw/zinc/16/13/42/416161342.db2.gz YMGKKKBKBIZTMS-CYBMUJFWSA-N 2 2 300.428 0.595 10 0 DCAELP C[C@@H](CNC(=O)N(C)CC1([NH+](C)C)CCC1)[NH+]1CCOCC1 ZINC000189667713 416268511 /nfs/dbraw/zinc/26/85/11/416268511.db2.gz YPINDSZFONJAEN-AWEZNQCLSA-N 2 2 312.458 0.833 10 0 DCAELP C[C@H]1CCC[C@H](C)N1C(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000261834291 416335850 /nfs/dbraw/zinc/33/58/50/416335850.db2.gz BVKSIVKDOLJADX-KBPBESRZSA-N 2 2 310.442 0.140 10 0 DCAELP C[C@H]1CCC[C@H](C)N1C(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000261834291 416335851 /nfs/dbraw/zinc/33/58/51/416335851.db2.gz BVKSIVKDOLJADX-KBPBESRZSA-N 2 2 310.442 0.140 10 0 DCAELP COC(=O)[C@H](C1CC1)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000359586271 416351706 /nfs/dbraw/zinc/35/17/06/416351706.db2.gz NBROYFKELMQSEA-BPUTZDHNSA-N 2 2 309.454 0.896 10 0 DCAELP COC(=O)[C@H](C1CC1)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000359586271 416351708 /nfs/dbraw/zinc/35/17/08/416351708.db2.gz NBROYFKELMQSEA-BPUTZDHNSA-N 2 2 309.454 0.896 10 0 DCAELP O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@H]1COCC[NH2+]1 ZINC000238003425 416329391 /nfs/dbraw/zinc/32/93/91/416329391.db2.gz FXTCKASRGARXHV-CQSZACIVSA-N 2 2 311.426 0.126 10 0 DCAELP Cc1cc(C)n(CC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000369275827 416740847 /nfs/dbraw/zinc/74/08/47/416740847.db2.gz YZYKOHBTGHQYDZ-HNNXBMFYSA-N 2 2 319.453 0.785 10 0 DCAELP Cc1cc(C)n(CC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000369275827 416740855 /nfs/dbraw/zinc/74/08/55/416740855.db2.gz YZYKOHBTGHQYDZ-HNNXBMFYSA-N 2 2 319.453 0.785 10 0 DCAELP C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1CCO ZINC000187260582 261122805 /nfs/dbraw/zinc/12/28/05/261122805.db2.gz JEZLTFANJUOSRD-GDBMZVCRSA-N 2 2 305.422 0.814 10 0 DCAELP C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC[N@H+]1CCO ZINC000187260582 261122807 /nfs/dbraw/zinc/12/28/07/261122807.db2.gz JEZLTFANJUOSRD-GDBMZVCRSA-N 2 2 305.422 0.814 10 0 DCAELP C=CC(=O)NCCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370856147 262153937 /nfs/dbraw/zinc/15/39/37/262153937.db2.gz KNOGIBFBMWJPSV-OAHLLOKOSA-N 2 2 322.453 0.306 10 0 DCAELP C=CC(=O)NCCC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370856147 262153939 /nfs/dbraw/zinc/15/39/39/262153939.db2.gz KNOGIBFBMWJPSV-OAHLLOKOSA-N 2 2 322.453 0.306 10 0 DCAELP CC[NH+](CC)CCCNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173781886 276096976 /nfs/dbraw/zinc/09/69/76/276096976.db2.gz RIDWJYXLUYSXIL-HNNXBMFYSA-N 2 2 312.458 0.834 10 0 DCAELP CC1CC[NH+](CCNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CC1 ZINC000173784721 276197857 /nfs/dbraw/zinc/19/78/57/276197857.db2.gz VRGXIEBGIZRSOH-MRXNPFEDSA-N 2 2 324.469 0.834 10 0 DCAELP CC1=CC[NH+](CCNC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)CC1 ZINC000547272634 288035362 /nfs/dbraw/zinc/03/53/62/288035362.db2.gz QIKTWELERMOFJN-HNNXBMFYSA-N 2 2 309.458 0.183 10 0 DCAELP CC1=CC[NH+](CCNC(=O)NC[C@H]2CN(C)CC[N@H+]2C)CC1 ZINC000547272634 288035364 /nfs/dbraw/zinc/03/53/64/288035364.db2.gz QIKTWELERMOFJN-HNNXBMFYSA-N 2 2 309.458 0.183 10 0 DCAELP CC1=CC[N@H+](CCNC(=O)NC[C@H]2CN(C)CC[NH+]2C)CC1 ZINC000547272634 288035366 /nfs/dbraw/zinc/03/53/66/288035366.db2.gz QIKTWELERMOFJN-HNNXBMFYSA-N 2 2 309.458 0.183 10 0 DCAELP CC1=CC[N@@H+](CCNC(=O)NC[C@H]2CN(C)CC[NH+]2C)CC1 ZINC000547272634 288035367 /nfs/dbraw/zinc/03/53/67/288035367.db2.gz QIKTWELERMOFJN-HNNXBMFYSA-N 2 2 309.458 0.183 10 0 DCAELP CC(C)C[NH+]1CCN(C(=O)NC[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000097427915 278888388 /nfs/dbraw/zinc/88/83/88/278888388.db2.gz YTAIDBJCCVLMPH-OAHLLOKOSA-N 2 2 312.458 0.690 10 0 DCAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000262119353 279369869 /nfs/dbraw/zinc/36/98/69/279369869.db2.gz KMPCCQVTVRPBJV-QLFBSQMISA-N 2 2 305.426 0.802 10 0 DCAELP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000329503530 289047049 /nfs/dbraw/zinc/04/70/49/289047049.db2.gz AQYSDPQKAUPZGR-RBSFLKMASA-N 2 2 318.421 0.767 10 0 DCAELP Cn1cc[nH+]c1[C@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+]2C)CCN1C ZINC000275350253 303006943 /nfs/dbraw/zinc/00/69/43/303006943.db2.gz IBGYEUDISZHSIL-UONOGXRCSA-N 2 2 320.441 0.512 10 0 DCAELP Cn1cc[nH+]c1[C@H]1CN(C(=O)NC[C@@H]2CCC[N@H+]2C)CCN1C ZINC000275350253 303006944 /nfs/dbraw/zinc/00/69/44/303006944.db2.gz IBGYEUDISZHSIL-UONOGXRCSA-N 2 2 320.441 0.512 10 0 DCAELP C[C@@H](C(=O)NC[C@H]1C[NH+](C)CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000111587839 524203183 /nfs/dbraw/zinc/20/31/83/524203183.db2.gz GPTQWQMPFKCXTG-YOEHRIQHSA-N 2 2 317.433 0.880 10 0 DCAELP C[C@@H](C(=O)NC[C@H]1C[NH+](C)CCO1)[N@H+]1CCc2ccccc2C1 ZINC000111587839 524203188 /nfs/dbraw/zinc/20/31/88/524203188.db2.gz GPTQWQMPFKCXTG-YOEHRIQHSA-N 2 2 317.433 0.880 10 0 DCAELP C[C@@H](C(=O)NC[C@H]1C[N@H+](C)CCO1)[NH+]1CCc2ccccc2C1 ZINC000111587839 524203196 /nfs/dbraw/zinc/20/31/96/524203196.db2.gz GPTQWQMPFKCXTG-YOEHRIQHSA-N 2 2 317.433 0.880 10 0 DCAELP C[C@@H](C(=O)NC[C@H]1C[N@@H+](C)CCO1)[NH+]1CCc2ccccc2C1 ZINC000111587839 524203203 /nfs/dbraw/zinc/20/32/03/524203203.db2.gz GPTQWQMPFKCXTG-YOEHRIQHSA-N 2 2 317.433 0.880 10 0 DCAELP CSCC[C@@H]([NH3+])C(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000157360031 525542027 /nfs/dbraw/zinc/54/20/27/525542027.db2.gz SXBYQEHGLMZGED-WDEREUQCSA-N 2 2 316.496 0.702 10 0 DCAELP OC[C@H]1CCCN(c2cc(N3CC[N@@H+]4CCC[C@H]4C3)nc[nH+]2)C1 ZINC000246047914 527615262 /nfs/dbraw/zinc/61/52/62/527615262.db2.gz CCZYJZIHXPMZLC-GJZGRUSLSA-N 2 2 317.437 0.970 10 0 DCAELP OC[C@H]1CCCN(c2cc(N3CC[N@H+]4CCC[C@H]4C3)nc[nH+]2)C1 ZINC000246047914 527615269 /nfs/dbraw/zinc/61/52/69/527615269.db2.gz CCZYJZIHXPMZLC-GJZGRUSLSA-N 2 2 317.437 0.970 10 0 DCAELP CC(C)(CNC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)[NH+]1CCOCC1 ZINC000333393766 546080274 /nfs/dbraw/zinc/08/02/74/546080274.db2.gz PCRFEQVQKTXKBP-UONOGXRCSA-N 2 2 310.442 0.348 10 0 DCAELP C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000264251071 186327340 /nfs/dbraw/zinc/32/73/40/186327340.db2.gz BMIQIYHJOYKMIO-OLZOCXBDSA-N 2 2 307.398 0.629 10 0 DCAELP C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000264251071 186327342 /nfs/dbraw/zinc/32/73/42/186327342.db2.gz BMIQIYHJOYKMIO-OLZOCXBDSA-N 2 2 307.398 0.629 10 0 DCAELP C[N@@H+]1CC2(C[C@H]1C(=O)NCCCn1cc[nH+]c1)CC[NH2+]CC2 ZINC000072424816 191159415 /nfs/dbraw/zinc/15/94/15/191159415.db2.gz ISKRRNZOCAMKAH-AWEZNQCLSA-N 3 2 305.426 0.463 10 0 DCAELP C[N@H+]1CC2(C[C@H]1C(=O)NCCCn1cc[nH+]c1)CC[NH2+]CC2 ZINC000072424816 191159418 /nfs/dbraw/zinc/15/94/18/191159418.db2.gz ISKRRNZOCAMKAH-AWEZNQCLSA-N 3 2 305.426 0.463 10 0 DCAELP Cn1ncc2c1nc(N1CCC([C@H]3CC[NH2+]C3)CC1)[nH+]c2N ZINC000333619598 282843480 /nfs/dbraw/zinc/84/34/80/282843480.db2.gz ZGBZDZOWEGIBMV-NSHDSACASA-N 2 2 301.398 0.771 10 0 DCAELP C[N@@H+]1CCO[C@H](C(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000173845101 198259336 /nfs/dbraw/zinc/25/93/36/198259336.db2.gz PAEIRRQXBBGZII-ZDUSSCGKSA-N 2 2 301.350 0.214 10 0 DCAELP C[N@H+]1CCO[C@H](C(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000173845101 198259337 /nfs/dbraw/zinc/25/93/37/198259337.db2.gz PAEIRRQXBBGZII-ZDUSSCGKSA-N 2 2 301.350 0.214 10 0 DCAELP C[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000104782328 194039732 /nfs/dbraw/zinc/03/97/32/194039732.db2.gz RGVGIJJTMTVVFJ-MRXNPFEDSA-N 2 2 320.437 0.878 10 0 DCAELP C[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000104782328 194039734 /nfs/dbraw/zinc/03/97/34/194039734.db2.gz RGVGIJJTMTVVFJ-MRXNPFEDSA-N 2 2 320.437 0.878 10 0 DCAELP C[N@@H+]1CCO[C@@H](CNC(=O)NCCCNc2cccc[nH+]2)C1 ZINC000104797594 194042367 /nfs/dbraw/zinc/04/23/67/194042367.db2.gz SWWXWTJPRHZZQF-ZDUSSCGKSA-N 2 2 307.398 0.513 10 0 DCAELP C[N@H+]1CCO[C@@H](CNC(=O)NCCCNc2cccc[nH+]2)C1 ZINC000104797594 194042369 /nfs/dbraw/zinc/04/23/69/194042369.db2.gz SWWXWTJPRHZZQF-ZDUSSCGKSA-N 2 2 307.398 0.513 10 0 DCAELP C[C@@H](NC(=O)N1CC[NH+](C2CC2)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000105298314 194094204 /nfs/dbraw/zinc/09/42/04/194094204.db2.gz RMDDWIUGKCLXMO-ZIAGYGMSSA-N 2 2 310.442 0.585 10 0 DCAELP CCS(=O)(=O)NCC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000109327057 194257875 /nfs/dbraw/zinc/25/78/75/194257875.db2.gz UFURNYGJQNPTKR-ZDUSSCGKSA-N 2 2 312.439 0.755 10 0 DCAELP CCS(=O)(=O)NCC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000109327057 194257878 /nfs/dbraw/zinc/25/78/78/194257878.db2.gz UFURNYGJQNPTKR-ZDUSSCGKSA-N 2 2 312.439 0.755 10 0 DCAELP CC(=O)N1CC[NH+](CCNC(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000350946829 254330622 /nfs/dbraw/zinc/33/06/22/254330622.db2.gz CPQDWDPZBCSEPO-MRXNPFEDSA-N 2 2 324.469 0.531 10 0 DCAELP CC(=O)N1CC[NH+](CCNC(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000350946829 254330623 /nfs/dbraw/zinc/33/06/23/254330623.db2.gz CPQDWDPZBCSEPO-MRXNPFEDSA-N 2 2 324.469 0.531 10 0 DCAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](C)C(=O)N(C)C)[C@H](C)C1 ZINC000174774754 285395468 /nfs/dbraw/zinc/39/54/68/285395468.db2.gz QIDAKDUIADMQQQ-RDBSUJKOSA-N 2 2 312.458 0.241 10 0 DCAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](C)C(=O)N(C)C)[C@H](C)C1 ZINC000174774754 285395469 /nfs/dbraw/zinc/39/54/69/285395469.db2.gz QIDAKDUIADMQQQ-RDBSUJKOSA-N 2 2 312.458 0.241 10 0 DCAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@@H](C)C(=O)N(C)C)[C@H](C)C1 ZINC000174774754 285395470 /nfs/dbraw/zinc/39/54/70/285395470.db2.gz QIDAKDUIADMQQQ-RDBSUJKOSA-N 2 2 312.458 0.241 10 0 DCAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](C)C(=O)N(C)C)[C@H](C)C1 ZINC000174774754 285395471 /nfs/dbraw/zinc/39/54/71/285395471.db2.gz QIDAKDUIADMQQQ-RDBSUJKOSA-N 2 2 312.458 0.241 10 0 DCAELP C[NH+]1CCC([N@@H+]2CCC[C@H](NC(=O)c3csnn3)C2)CC1 ZINC000015066130 395689783 /nfs/dbraw/zinc/68/97/83/395689783.db2.gz BAXVQTIWAJLHQK-NSHDSACASA-N 2 2 309.439 0.827 10 0 DCAELP C[NH+]1CCC([N@H+]2CCC[C@H](NC(=O)c3csnn3)C2)CC1 ZINC000015066130 395689784 /nfs/dbraw/zinc/68/97/84/395689784.db2.gz BAXVQTIWAJLHQK-NSHDSACASA-N 2 2 309.439 0.827 10 0 DCAELP COCC[N@@H+]1CCN(C(=O)NCCCn2cc[nH+]c2)C[C@@H]1C ZINC000117467473 395853099 /nfs/dbraw/zinc/85/30/99/395853099.db2.gz FFMNQRDCVJQFAR-AWEZNQCLSA-N 2 2 309.414 0.635 10 0 DCAELP COCC[N@H+]1CCN(C(=O)NCCCn2cc[nH+]c2)C[C@@H]1C ZINC000117467473 395853101 /nfs/dbraw/zinc/85/31/01/395853101.db2.gz FFMNQRDCVJQFAR-AWEZNQCLSA-N 2 2 309.414 0.635 10 0 DCAELP C[C@@H](CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)[NH+]1CCOCC1 ZINC000246376291 395949028 /nfs/dbraw/zinc/94/90/28/395949028.db2.gz HCQBEGCDQODJMC-GJZGRUSLSA-N 2 2 310.442 0.587 10 0 DCAELP C[C@@H](CNC(=O)N1CC[N@H+]2CCCC[C@H]2C1)[NH+]1CCOCC1 ZINC000246376291 395949031 /nfs/dbraw/zinc/94/90/31/395949031.db2.gz HCQBEGCDQODJMC-GJZGRUSLSA-N 2 2 310.442 0.587 10 0 DCAELP COc1cc[nH+]cc1NC(=O)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000246431392 395949802 /nfs/dbraw/zinc/94/98/02/395949802.db2.gz NDIZUHSZMBDONJ-WCQYABFASA-N 2 2 320.393 0.874 10 0 DCAELP COc1cc[nH+]cc1NC(=O)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000246431392 395949805 /nfs/dbraw/zinc/94/98/05/395949805.db2.gz NDIZUHSZMBDONJ-WCQYABFASA-N 2 2 320.393 0.874 10 0 DCAELP CCn1nc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)c2ccccc21 ZINC000261781891 396065311 /nfs/dbraw/zinc/06/53/11/396065311.db2.gz RWAXBUWOFUSMLZ-UHFFFAOYSA-N 2 2 315.421 0.920 10 0 DCAELP CCn1nc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)c2ccccc21 ZINC000261781891 396065314 /nfs/dbraw/zinc/06/53/14/396065314.db2.gz RWAXBUWOFUSMLZ-UHFFFAOYSA-N 2 2 315.421 0.920 10 0 DCAELP O=C(NCC[NH+]1CCOCC1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000069894380 396093709 /nfs/dbraw/zinc/09/37/09/396093709.db2.gz LPYWWPKTKUIQNA-INIZCTEOSA-N 2 2 324.469 0.979 10 0 DCAELP [NH3+]Cc1nc(CN2CC[NH+](CCc3cccs3)CC2)no1 ZINC000262295967 396119949 /nfs/dbraw/zinc/11/99/49/396119949.db2.gz WTKKJHYNYNIXCI-UHFFFAOYSA-N 2 2 307.423 0.950 10 0 DCAELP Cc1ncc(C[NH+]2CCN(C(=O)C3([NH3+])CCOCC3)CC2)s1 ZINC000261917846 396079785 /nfs/dbraw/zinc/07/97/85/396079785.db2.gz UQEPBAAQVKXNJE-UHFFFAOYSA-N 2 2 324.450 0.604 10 0 DCAELP O=C1C[C@@H]([NH2+][C@H]2CCCSC2)CN1CC[NH+]1CCOCC1 ZINC000183609985 396271721 /nfs/dbraw/zinc/27/17/21/396271721.db2.gz WCXSUNSFYDEEQJ-UONOGXRCSA-N 2 2 313.467 0.405 10 0 DCAELP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@]2(C)C(N)=O)CC1 ZINC000185924332 396337279 /nfs/dbraw/zinc/33/72/79/396337279.db2.gz DJFLQICCYXCQLX-KRWDZBQOSA-N 2 2 324.469 0.705 10 0 DCAELP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@]2(C)C(N)=O)CC1 ZINC000185924332 396337282 /nfs/dbraw/zinc/33/72/82/396337282.db2.gz DJFLQICCYXCQLX-KRWDZBQOSA-N 2 2 324.469 0.705 10 0 DCAELP COC[C@H](C)C[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000187652924 396372093 /nfs/dbraw/zinc/37/20/93/396372093.db2.gz AQBPSUAVEGBBHS-OAHLLOKOSA-N 2 2 307.442 0.861 10 0 DCAELP CCn1ncnc1C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000193438760 396451554 /nfs/dbraw/zinc/45/15/54/396451554.db2.gz KHSBEEJGRGHKEG-HNNXBMFYSA-N 2 2 306.458 0.900 10 0 DCAELP CCn1ncnc1C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000193438760 396451555 /nfs/dbraw/zinc/45/15/55/396451555.db2.gz KHSBEEJGRGHKEG-HNNXBMFYSA-N 2 2 306.458 0.900 10 0 DCAELP C[C@H]([C@H](C)NC(=O)N1CCC2(CC[NH2+]C2)CC1)[NH+]1CCOCC1 ZINC000333132162 396918586 /nfs/dbraw/zinc/91/85/86/396918586.db2.gz BWASTTOAUHHSJW-LSDHHAIUSA-N 2 2 324.469 0.881 10 0 DCAELP O=C(N[C@H]1CCn2cc[nH+]c2C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000333001471 396914068 /nfs/dbraw/zinc/91/40/68/396914068.db2.gz MPARLSYPLOKONF-UONOGXRCSA-N 2 2 301.394 0.854 10 0 DCAELP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)Cn2ccnn2)C[N@@H+]1Cc1ccccc1 ZINC000459706522 397435704 /nfs/dbraw/zinc/43/57/04/397435704.db2.gz VYNRBMIOUSQKJH-HYVNUMGLSA-N 2 2 315.421 0.892 10 0 DCAELP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)Cn2ccnn2)C[N@H+]1Cc1ccccc1 ZINC000459706522 397435709 /nfs/dbraw/zinc/43/57/09/397435709.db2.gz VYNRBMIOUSQKJH-HYVNUMGLSA-N 2 2 315.421 0.892 10 0 DCAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CCn3cccn3)CC2)C1 ZINC000105846052 158131466 /nfs/dbraw/zinc/13/14/66/158131466.db2.gz ODYKOHAOSFRJBT-QGZVFWFLSA-N 2 2 321.469 0.610 10 0 DCAELP C[N@H+](CC(=O)N1CCCC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000105915933 158132329 /nfs/dbraw/zinc/13/23/29/158132329.db2.gz JSMNKSNROYCBFP-UHFFFAOYSA-N 2 2 319.453 0.902 10 0 DCAELP C[N@@H+](CC(=O)N1CCCC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000105915933 158132331 /nfs/dbraw/zinc/13/23/31/158132331.db2.gz JSMNKSNROYCBFP-UHFFFAOYSA-N 2 2 319.453 0.902 10 0 DCAELP C[C@H](NC(=O)NC[C@H]1C[N@H+](C)CCO1)C(C)(C)C[NH+](C)C ZINC000119444118 158187140 /nfs/dbraw/zinc/18/71/40/158187140.db2.gz ZORWKUHEUQGPPU-STQMWFEESA-N 2 2 300.447 0.593 10 0 DCAELP C[C@H](NC(=O)NC[C@H]1C[N@@H+](C)CCO1)C(C)(C)C[NH+](C)C ZINC000119444118 158187142 /nfs/dbraw/zinc/18/71/42/158187142.db2.gz ZORWKUHEUQGPPU-STQMWFEESA-N 2 2 300.447 0.593 10 0 DCAELP Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000121027772 158207021 /nfs/dbraw/zinc/20/70/21/158207021.db2.gz LFQOCJPLQOITLV-OAHLLOKOSA-N 2 2 319.453 0.948 10 0 DCAELP Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000121027772 158207024 /nfs/dbraw/zinc/20/70/24/158207024.db2.gz LFQOCJPLQOITLV-OAHLLOKOSA-N 2 2 319.453 0.948 10 0 DCAELP CCOC(=O)CCCNC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123573782 158232092 /nfs/dbraw/zinc/23/20/92/158232092.db2.gz WKUWLKINCHZSPP-KGLIPLIRSA-N 2 2 313.442 0.860 10 0 DCAELP CCOC(=O)CCCNC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123573782 158232093 /nfs/dbraw/zinc/23/20/93/158232093.db2.gz WKUWLKINCHZSPP-KGLIPLIRSA-N 2 2 313.442 0.860 10 0 DCAELP CCOC(=O)CCCNC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123573782 158232095 /nfs/dbraw/zinc/23/20/95/158232095.db2.gz WKUWLKINCHZSPP-KGLIPLIRSA-N 2 2 313.442 0.860 10 0 DCAELP CCOC(=O)CCCNC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123573782 158232097 /nfs/dbraw/zinc/23/20/97/158232097.db2.gz WKUWLKINCHZSPP-KGLIPLIRSA-N 2 2 313.442 0.860 10 0 DCAELP O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1COCC[NH2+]1 ZINC000165947932 158366256 /nfs/dbraw/zinc/36/62/56/158366256.db2.gz NMFYVRHBUXXCDX-HNNXBMFYSA-N 2 2 305.378 0.446 10 0 DCAELP Cn1c(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc(=O)n(C)c1=O ZINC000328600850 159013977 /nfs/dbraw/zinc/01/39/77/159013977.db2.gz DJVSOKWOZGWFSX-AWEZNQCLSA-N 2 2 316.361 0.132 10 0 DCAELP Cn1c(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc(=O)n(C)c1=O ZINC000328600850 159013978 /nfs/dbraw/zinc/01/39/78/159013978.db2.gz DJVSOKWOZGWFSX-AWEZNQCLSA-N 2 2 316.361 0.132 10 0 DCAELP CO[C@H]1C[C@@H](C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)[N@H+](C)C1 ZINC000408058646 160025647 /nfs/dbraw/zinc/02/56/47/160025647.db2.gz LEHUWKSPESLCAW-KKUMJFAQSA-N 2 2 304.394 0.274 10 0 DCAELP CO[C@H]1C[C@@H](C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)[N@@H+](C)C1 ZINC000408058646 160025649 /nfs/dbraw/zinc/02/56/49/160025649.db2.gz LEHUWKSPESLCAW-KKUMJFAQSA-N 2 2 304.394 0.274 10 0 DCAELP CC(=O)N[C@@H]1CCCN(C(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000246515004 287084909 /nfs/dbraw/zinc/08/49/09/287084909.db2.gz BNVQPJAINAZLDJ-IMJJTQAJSA-N 2 2 324.469 0.528 10 0 DCAELP CC(=O)N[C@@H]1CCCN(C(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000246515004 287084910 /nfs/dbraw/zinc/08/49/10/287084910.db2.gz BNVQPJAINAZLDJ-IMJJTQAJSA-N 2 2 324.469 0.528 10 0 DCAELP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000246515004 287084911 /nfs/dbraw/zinc/08/49/11/287084911.db2.gz BNVQPJAINAZLDJ-IMJJTQAJSA-N 2 2 324.469 0.528 10 0 DCAELP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000246515004 287084912 /nfs/dbraw/zinc/08/49/12/287084912.db2.gz BNVQPJAINAZLDJ-IMJJTQAJSA-N 2 2 324.469 0.528 10 0 DCAELP C[NH+]1CCC(CNC(=O)[C@H]2CCC(=O)N2)([NH+]2CCCCC2)CC1 ZINC000172849644 416049807 /nfs/dbraw/zinc/04/98/07/416049807.db2.gz QFNPYOZWTRHYIF-CQSZACIVSA-N 2 2 322.453 0.332 10 0 DCAELP C[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCOCC1 ZINC000173826998 416065263 /nfs/dbraw/zinc/06/52/63/416065263.db2.gz GJILAHIAUFFAIV-RBSFLKMASA-N 2 2 312.458 0.831 10 0 DCAELP C[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCOCC1 ZINC000173826998 416065264 /nfs/dbraw/zinc/06/52/64/416065264.db2.gz GJILAHIAUFFAIV-RBSFLKMASA-N 2 2 312.458 0.831 10 0 DCAELP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000173884840 416068615 /nfs/dbraw/zinc/06/86/15/416068615.db2.gz MSTBYJRBLKSZJR-CVEARBPZSA-N 2 2 324.469 0.834 10 0 DCAELP CCC[N@H+]1CC[C@H](CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000173884840 416068616 /nfs/dbraw/zinc/06/86/16/416068616.db2.gz MSTBYJRBLKSZJR-CVEARBPZSA-N 2 2 324.469 0.834 10 0 DCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000171593114 416040264 /nfs/dbraw/zinc/04/02/64/416040264.db2.gz JONFVZNMFQDQOO-INIZCTEOSA-N 2 2 324.469 0.833 10 0 DCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000171593114 416040268 /nfs/dbraw/zinc/04/02/68/416040268.db2.gz JONFVZNMFQDQOO-INIZCTEOSA-N 2 2 324.469 0.833 10 0 DCAELP CNC(=O)c1cccnc1NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000301515928 416085475 /nfs/dbraw/zinc/08/54/75/416085475.db2.gz FGCRTTFHYRZLKF-UHFFFAOYSA-N 2 2 305.426 0.879 10 0 DCAELP C[NH+](C)CC(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000175455529 416106028 /nfs/dbraw/zinc/10/60/28/416106028.db2.gz QZBHXVMLVMPGPO-UHFFFAOYSA-N 2 2 318.421 0.503 10 0 DCAELP CN(CC[NH+](C)C)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000176389534 416126067 /nfs/dbraw/zinc/12/60/67/416126067.db2.gz WMVCYSVWRQBTIP-UHFFFAOYSA-N 2 2 307.442 0.652 10 0 DCAELP CC1=CC[NH+](CCNC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)CC1 ZINC000357899102 416148894 /nfs/dbraw/zinc/14/88/94/416148894.db2.gz FHISVAHJQKHJQT-HUUCEWRRSA-N 2 2 308.426 0.363 10 0 DCAELP CC1=CC[NH+](CCNC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)CC1 ZINC000357899102 416148896 /nfs/dbraw/zinc/14/88/96/416148896.db2.gz FHISVAHJQKHJQT-HUUCEWRRSA-N 2 2 308.426 0.363 10 0 DCAELP CC1=CC[N@H+](CCNC(=O)N2C[C@H]3OCC[NH+](C)[C@@H]3C2)CC1 ZINC000357899102 416148898 /nfs/dbraw/zinc/14/88/98/416148898.db2.gz FHISVAHJQKHJQT-HUUCEWRRSA-N 2 2 308.426 0.363 10 0 DCAELP CC1=CC[N@@H+](CCNC(=O)N2C[C@H]3OCC[NH+](C)[C@@H]3C2)CC1 ZINC000357899102 416148900 /nfs/dbraw/zinc/14/89/00/416148900.db2.gz FHISVAHJQKHJQT-HUUCEWRRSA-N 2 2 308.426 0.363 10 0 DCAELP CC(C)C[N@@H+]1CCO[C@H](CNc2nc3c(cnn3C)c(N)[nH+]2)C1 ZINC000195178912 416325619 /nfs/dbraw/zinc/32/56/19/416325619.db2.gz HDAMRUSZHSJFIK-LLVKDONJSA-N 2 2 319.413 0.714 10 0 DCAELP CC(C)C[N@H+]1CCO[C@H](CNc2nc3c(cnn3C)c(N)[nH+]2)C1 ZINC000195178912 416325620 /nfs/dbraw/zinc/32/56/20/416325620.db2.gz HDAMRUSZHSJFIK-LLVKDONJSA-N 2 2 319.413 0.714 10 0 DCAELP CN(C)c1nc(N2CC[NH+](Cc3ccnc(N)c3)CC2)cc[nH+]1 ZINC000488174244 416558957 /nfs/dbraw/zinc/55/89/57/416558957.db2.gz WPBSLLLMPDVGPB-UHFFFAOYSA-N 2 2 313.409 0.842 10 0 DCAELP CN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000559691481 416819977 /nfs/dbraw/zinc/81/99/77/416819977.db2.gz XEEXOPUUOJVMDR-UHFFFAOYSA-N 2 2 315.377 0.827 10 0 DCAELP Cn1nc(C2CC2)nc1C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000576875417 417645149 /nfs/dbraw/zinc/64/51/49/417645149.db2.gz ZQFSEPQEBDSYTN-CYBMUJFWSA-N 2 2 305.426 0.880 10 0 DCAELP Cn1nc(C2CC2)nc1C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000576875417 417645151 /nfs/dbraw/zinc/64/51/51/417645151.db2.gz ZQFSEPQEBDSYTN-CYBMUJFWSA-N 2 2 305.426 0.880 10 0 DCAELP CC[NH+](CC)CC1CC[NH+](Cc2nc(CC(=O)NC)no2)CC1 ZINC000494500502 272223395 /nfs/dbraw/zinc/22/33/95/272223395.db2.gz AGKFREQVKLAAIH-UHFFFAOYSA-N 2 2 323.441 0.912 10 0 DCAELP CC[C@@H]1CN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C[C@H]1[NH+]1CCOCC1 ZINC000263105669 276483589 /nfs/dbraw/zinc/48/35/89/276483589.db2.gz ZUPHGUKUPZWQQG-JHJVBQTASA-N 2 2 317.380 0.553 10 0 DCAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2CCN(C)C2=O)nc[nH+]1 ZINC000116277748 277302086 /nfs/dbraw/zinc/30/20/86/277302086.db2.gz FRDJJHYAHVAXFR-VXGBXAGGSA-N 2 2 304.398 0.307 10 0 DCAELP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000333287518 278047612 /nfs/dbraw/zinc/04/76/12/278047612.db2.gz NUFWKLPFOGZNAW-IHRRRGAJSA-N 2 2 305.426 0.623 10 0 DCAELP CN(CCC[NH+](C)C)C(=O)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000582255402 336396574 /nfs/dbraw/zinc/39/65/74/336396574.db2.gz UMSDZTWNJJLFDG-UHFFFAOYSA-N 2 2 317.393 0.361 10 0 DCAELP COC(=O)c1ncn(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)n1 ZINC000176074269 657797575 /nfs/dbraw/zinc/79/75/75/657797575.db2.gz BTZARIRWTBALIV-GFCCVEGCSA-N 2 2 304.354 0.692 10 0 DCAELP COC(=O)c1ncn(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)n1 ZINC000176074269 657797585 /nfs/dbraw/zinc/79/75/85/657797585.db2.gz BTZARIRWTBALIV-GFCCVEGCSA-N 2 2 304.354 0.692 10 0 DCAELP Cc1cc(N2CC[NH+](CCn3ccccc3=O)CC2)nc(N)[nH+]1 ZINC000729919593 662912973 /nfs/dbraw/zinc/91/29/73/662912973.db2.gz NUVGLOVBOVKZLK-UHFFFAOYSA-N 2 2 314.393 0.351 10 0 DCAELP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000247221020 282189939 /nfs/dbraw/zinc/18/99/39/282189939.db2.gz YOQYXGZWTQMZLW-BZUAXINKSA-N 2 2 324.469 0.975 10 0 DCAELP Cn1cc[nH+]c1CNC(=O)c1cnc(C2CC[NH2+]CC2)cn1 ZINC000072365718 191135841 /nfs/dbraw/zinc/13/58/41/191135841.db2.gz PYDNBWCCDFHEGF-UHFFFAOYSA-N 2 2 300.366 0.607 10 0 DCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nc(N)nc(N(C)C)n1 ZINC000177210816 198686778 /nfs/dbraw/zinc/68/67/78/198686778.db2.gz VPHDRZFJGAPUBH-GFCCVEGCSA-N 2 2 316.413 0.689 10 0 DCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nc(N)nc(N(C)C)n1 ZINC000177210816 198686781 /nfs/dbraw/zinc/68/67/81/198686781.db2.gz VPHDRZFJGAPUBH-GFCCVEGCSA-N 2 2 316.413 0.689 10 0 DCAELP C[NH+]1CCN(Nc2[nH+]cnc(Nc3ccccn3)c2N)CC1 ZINC000040756869 183129919 /nfs/dbraw/zinc/12/99/19/183129919.db2.gz JGVLSKWMOQSKBW-UHFFFAOYSA-N 2 2 300.370 0.772 10 0 DCAELP C[NH+](C)CCN1CCC(NC(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000105112176 194075153 /nfs/dbraw/zinc/07/51/53/194075153.db2.gz LHBOUADDRHFISG-UHFFFAOYSA-N 2 2 323.485 0.502 10 0 DCAELP CN(C)CC[NH+]1CCC(NC(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000105112176 194075155 /nfs/dbraw/zinc/07/51/55/194075155.db2.gz LHBOUADDRHFISG-UHFFFAOYSA-N 2 2 323.485 0.502 10 0 DCAELP C[NH+](C)CCNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)O1 ZINC000248023471 257110462 /nfs/dbraw/zinc/11/04/62/257110462.db2.gz RWBGTMWMLAFQCW-UPJWGTAASA-N 2 2 324.450 0.553 10 0 DCAELP C[NH+](C)CCNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)O1 ZINC000248023471 257110464 /nfs/dbraw/zinc/11/04/64/257110464.db2.gz RWBGTMWMLAFQCW-UPJWGTAASA-N 2 2 324.450 0.553 10 0 DCAELP COC[C@H](C)NC(=O)NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123620962 285345493 /nfs/dbraw/zinc/34/54/93/285345493.db2.gz ZLNLGHIQMFWZAI-RWMBFGLXSA-N 2 2 314.430 0.262 10 0 DCAELP COC[C@H](C)NC(=O)NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123620962 285345497 /nfs/dbraw/zinc/34/54/97/285345497.db2.gz ZLNLGHIQMFWZAI-RWMBFGLXSA-N 2 2 314.430 0.262 10 0 DCAELP COC[C@H](C)NC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123620962 285345498 /nfs/dbraw/zinc/34/54/98/285345498.db2.gz ZLNLGHIQMFWZAI-RWMBFGLXSA-N 2 2 314.430 0.262 10 0 DCAELP COC[C@H](C)NC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123620962 285345500 /nfs/dbraw/zinc/34/55/00/285345500.db2.gz ZLNLGHIQMFWZAI-RWMBFGLXSA-N 2 2 314.430 0.262 10 0 DCAELP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000119896250 132137037 /nfs/dbraw/zinc/13/70/37/132137037.db2.gz ZWLOLUHAPIMQBL-KBPBESRZSA-N 2 2 306.410 0.532 10 0 DCAELP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000119896250 132137039 /nfs/dbraw/zinc/13/70/39/132137039.db2.gz ZWLOLUHAPIMQBL-KBPBESRZSA-N 2 2 306.410 0.532 10 0 DCAELP C[N@@H+]1CCN(C[C@@H](O)C[NH+]2CCOCC2)C2(CCCCC2)C1 ZINC000247067628 395965447 /nfs/dbraw/zinc/96/54/47/395965447.db2.gz OKTBFAPGRVTAJA-INIZCTEOSA-N 2 2 311.470 0.630 10 0 DCAELP C[N@H+]1CCN(C[C@@H](O)C[NH+]2CCOCC2)C2(CCCCC2)C1 ZINC000247067628 395965451 /nfs/dbraw/zinc/96/54/51/395965451.db2.gz OKTBFAPGRVTAJA-INIZCTEOSA-N 2 2 311.470 0.630 10 0 DCAELP O=C1CCCN1C[C@@H](O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000151101410 395978319 /nfs/dbraw/zinc/97/83/19/395978319.db2.gz SQOAPAKRDRLCSW-GJZGRUSLSA-N 2 2 318.421 0.799 10 0 DCAELP O=C1CCCN1C[C@@H](O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000151101410 395978323 /nfs/dbraw/zinc/97/83/23/395978323.db2.gz SQOAPAKRDRLCSW-GJZGRUSLSA-N 2 2 318.421 0.799 10 0 DCAELP Cn1ncc2c1nc(NC[C@H](O)C[NH+]1CCCCC1)[nH+]c2N ZINC000276519993 396006234 /nfs/dbraw/zinc/00/62/34/396006234.db2.gz UUCUKRFVLGTRJB-JTQLQIEISA-N 2 2 305.386 0.204 10 0 DCAELP COc1ccc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)c(OC)c1 ZINC000261834394 396070820 /nfs/dbraw/zinc/07/08/20/396070820.db2.gz BWMANJIYUZJTOZ-UHFFFAOYSA-N 2 2 307.394 0.567 10 0 DCAELP COc1ccc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)c(OC)c1 ZINC000261834394 396070822 /nfs/dbraw/zinc/07/08/22/396070822.db2.gz BWMANJIYUZJTOZ-UHFFFAOYSA-N 2 2 307.394 0.567 10 0 DCAELP C[C@@H](CNC(=O)CCCC[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000170684550 396096904 /nfs/dbraw/zinc/09/69/04/396096904.db2.gz VCVCKJKJYGRRBX-HNNXBMFYSA-N 2 2 313.442 0.326 10 0 DCAELP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000262645794 396167646 /nfs/dbraw/zinc/16/76/46/396167646.db2.gz NWIQQVHPGRHBFM-KFWWJZLASA-N 2 2 322.453 0.269 10 0 DCAELP Oc1ccc(Br)c(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000263158289 396203411 /nfs/dbraw/zinc/20/34/11/396203411.db2.gz DPNVXQWCVXGCHR-JOYOIKCWSA-N 2 2 301.184 0.825 10 0 DCAELP C[C@@H]1C[N@H+](CCN2CCC[NH+](Cc3cnn(C)c3)CC2)CCO1 ZINC000191485672 396420330 /nfs/dbraw/zinc/42/03/30/396420330.db2.gz ZNMLZCPSORXXFD-MRXNPFEDSA-N 2 2 321.469 0.649 10 0 DCAELP C[C@@H]1C[N@@H+](CCN2CCC[NH+](Cc3cnn(C)c3)CC2)CCO1 ZINC000191485672 396420331 /nfs/dbraw/zinc/42/03/31/396420331.db2.gz ZNMLZCPSORXXFD-MRXNPFEDSA-N 2 2 321.469 0.649 10 0 DCAELP C[C@@H]1C[NH+](CCN2CCC[N@H+](Cc3cnn(C)c3)CC2)CCO1 ZINC000191485672 396420332 /nfs/dbraw/zinc/42/03/32/396420332.db2.gz ZNMLZCPSORXXFD-MRXNPFEDSA-N 2 2 321.469 0.649 10 0 DCAELP C[C@@H]1C[NH+](CCN2CCC[N@@H+](Cc3cnn(C)c3)CC2)CCO1 ZINC000191485672 396420333 /nfs/dbraw/zinc/42/03/33/396420333.db2.gz ZNMLZCPSORXXFD-MRXNPFEDSA-N 2 2 321.469 0.649 10 0 DCAELP CCN1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1c1[nH+]ccn1C ZINC000328625052 396824548 /nfs/dbraw/zinc/82/45/48/396824548.db2.gz KIOXZUAKGGZHMT-CQSZACIVSA-N 2 2 307.442 0.966 10 0 DCAELP CCN1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1c1[nH+]ccn1C ZINC000328625052 396824552 /nfs/dbraw/zinc/82/45/52/396824552.db2.gz KIOXZUAKGGZHMT-CQSZACIVSA-N 2 2 307.442 0.966 10 0 DCAELP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)Cn2ccnn2)C[N@@H+]1Cc1ccccc1 ZINC000459706521 397435244 /nfs/dbraw/zinc/43/52/44/397435244.db2.gz VYNRBMIOUSQKJH-DJIMGWMZSA-N 2 2 315.421 0.892 10 0 DCAELP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)Cn2ccnn2)C[N@H+]1Cc1ccccc1 ZINC000459706521 397435248 /nfs/dbraw/zinc/43/52/48/397435248.db2.gz VYNRBMIOUSQKJH-DJIMGWMZSA-N 2 2 315.421 0.892 10 0 DCAELP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)CC1 ZINC000121217219 158208897 /nfs/dbraw/zinc/20/88/97/158208897.db2.gz YBXDUWZZUMIICC-OAHLLOKOSA-N 2 2 304.394 0.309 10 0 DCAELP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](Oc3cccnc3)C2)CC1 ZINC000121217219 158208898 /nfs/dbraw/zinc/20/88/98/158208898.db2.gz YBXDUWZZUMIICC-OAHLLOKOSA-N 2 2 304.394 0.309 10 0 DCAELP C[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)[NH+]1CCOCC1 ZINC000136811530 158344421 /nfs/dbraw/zinc/34/44/21/158344421.db2.gz UTFWBQKLLXNPSI-OAGGEKHMSA-N 2 2 324.469 0.833 10 0 DCAELP C[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1)[NH+]1CCOCC1 ZINC000136811530 158344422 /nfs/dbraw/zinc/34/44/22/158344422.db2.gz UTFWBQKLLXNPSI-OAGGEKHMSA-N 2 2 324.469 0.833 10 0 DCAELP C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[NH+](C3CCCC3)CC2)C1 ZINC000172583539 158396405 /nfs/dbraw/zinc/39/64/05/158396405.db2.gz XKNXTLDRGFEITE-INIZCTEOSA-N 2 2 324.469 0.977 10 0 DCAELP C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[NH+](C3CCCC3)CC2)C1 ZINC000172583539 158396407 /nfs/dbraw/zinc/39/64/07/158396407.db2.gz XKNXTLDRGFEITE-INIZCTEOSA-N 2 2 324.469 0.977 10 0 DCAELP C[NH+]1CCO[C@@H](CNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)C1 ZINC000172583539 158396408 /nfs/dbraw/zinc/39/64/08/158396408.db2.gz XKNXTLDRGFEITE-INIZCTEOSA-N 2 2 324.469 0.977 10 0 DCAELP C[NH+]1CCO[C@@H](CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)C1 ZINC000172583539 158396409 /nfs/dbraw/zinc/39/64/09/158396409.db2.gz XKNXTLDRGFEITE-INIZCTEOSA-N 2 2 324.469 0.977 10 0 DCAELP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1COCC[NH2+]1 ZINC000178674091 158461498 /nfs/dbraw/zinc/46/14/98/158461498.db2.gz LTGXXNACJCVBGP-HNNXBMFYSA-N 2 2 300.362 0.536 10 0 DCAELP C[C@H](C(=O)N1CC[NH2+][C@H](c2cccnc2)C1)N1CC[NH+](C)CC1 ZINC000328642396 159016514 /nfs/dbraw/zinc/01/65/14/159016514.db2.gz DVDFDMUSWHMCNS-ZBFHGGJFSA-N 2 2 317.437 0.190 10 0 DCAELP C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000329275373 159078086 /nfs/dbraw/zinc/07/80/86/159078086.db2.gz JUWYJRKTMQMWLE-CYBMUJFWSA-N 2 2 319.409 0.107 10 0 DCAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCC(=O)N2CCCC2)[C@@H](C)C1 ZINC000245424126 287069268 /nfs/dbraw/zinc/06/92/68/287069268.db2.gz JXCRVQAUCITWQR-GJZGRUSLSA-N 2 2 324.469 0.387 10 0 DCAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCC(=O)N2CCCC2)[C@@H](C)C1 ZINC000245424126 287069269 /nfs/dbraw/zinc/06/92/69/287069269.db2.gz JXCRVQAUCITWQR-GJZGRUSLSA-N 2 2 324.469 0.387 10 0 DCAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCC(=O)N2CCCC2)[C@@H](C)C1 ZINC000245424126 287069270 /nfs/dbraw/zinc/06/92/70/287069270.db2.gz JXCRVQAUCITWQR-GJZGRUSLSA-N 2 2 324.469 0.387 10 0 DCAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCC(=O)N2CCCC2)[C@@H](C)C1 ZINC000245424126 287069272 /nfs/dbraw/zinc/06/92/72/287069272.db2.gz JXCRVQAUCITWQR-GJZGRUSLSA-N 2 2 324.469 0.387 10 0 DCAELP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(C(=O)CCO)C1 ZINC000095380206 415559227 /nfs/dbraw/zinc/55/92/27/415559227.db2.gz OWQOHQJBTJSQLD-AWEZNQCLSA-N 2 2 308.426 0.923 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3nnc[nH]3)C2)CC1 ZINC000333300003 415603331 /nfs/dbraw/zinc/60/33/31/415603331.db2.gz MDKRXPMXLRPOHI-ZIAGYGMSSA-N 2 2 320.441 0.537 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3nnc[nH]3)C2)CC1 ZINC000333300003 415603336 /nfs/dbraw/zinc/60/33/36/415603336.db2.gz MDKRXPMXLRPOHI-ZIAGYGMSSA-N 2 2 320.441 0.537 10 0 DCAELP C[C@@H]1C[N@@H+](C2CC[NH+](CCCN3C(=O)CNC3=O)CC2)CCO1 ZINC000104947433 415627316 /nfs/dbraw/zinc/62/73/16/415627316.db2.gz PMKKUJHADCYKLP-CYBMUJFWSA-N 2 2 324.425 0.113 10 0 DCAELP C[C@@H]1C[N@H+](C2CC[NH+](CCCN3C(=O)CNC3=O)CC2)CCO1 ZINC000104947433 415627326 /nfs/dbraw/zinc/62/73/26/415627326.db2.gz PMKKUJHADCYKLP-CYBMUJFWSA-N 2 2 324.425 0.113 10 0 DCAELP C[NH+](C)C[C@H]1CN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)CCO1 ZINC000333456588 415656991 /nfs/dbraw/zinc/65/69/91/415656991.db2.gz OQIKROYKSDVTRT-KGLIPLIRSA-N 2 2 321.425 0.733 10 0 DCAELP C[NH+](C)[C@H](C(=O)NC[C@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC000132949803 415938489 /nfs/dbraw/zinc/93/84/89/415938489.db2.gz QDQNPMPUMZOPRH-HOTGVXAUSA-N 2 2 321.421 0.099 10 0 DCAELP CC(C)CNC(=O)C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174891879 416090173 /nfs/dbraw/zinc/09/01/73/416090173.db2.gz FWNXOFFENTYOPB-INIZCTEOSA-N 2 2 310.486 0.861 10 0 DCAELP CC(C)CNC(=O)C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174891879 416090178 /nfs/dbraw/zinc/09/01/78/416090178.db2.gz FWNXOFFENTYOPB-INIZCTEOSA-N 2 2 310.486 0.861 10 0 DCAELP C[C@@H](CO)[C@H](C)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000175800541 416114220 /nfs/dbraw/zinc/11/42/20/416114220.db2.gz GJNSLJSEYWPTAV-STQMWFEESA-N 2 2 300.447 0.329 10 0 DCAELP CN(C(=O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C1CC1 ZINC000182583582 416226229 /nfs/dbraw/zinc/22/62/29/416226229.db2.gz JPCRMMIJUUUNFX-SJPCQFCGSA-N 2 2 320.481 0.850 10 0 DCAELP CN(C(=O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C1CC1 ZINC000182583582 416226232 /nfs/dbraw/zinc/22/62/32/416226232.db2.gz JPCRMMIJUUUNFX-SJPCQFCGSA-N 2 2 320.481 0.850 10 0 DCAELP CN(C(=O)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C1CC1 ZINC000182583582 416226235 /nfs/dbraw/zinc/22/62/35/416226235.db2.gz JPCRMMIJUUUNFX-SJPCQFCGSA-N 2 2 320.481 0.850 10 0 DCAELP CN(C(=O)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C1CC1 ZINC000182583582 416226238 /nfs/dbraw/zinc/22/62/38/416226238.db2.gz JPCRMMIJUUUNFX-SJPCQFCGSA-N 2 2 320.481 0.850 10 0 DCAELP C[C@@]1(C[N@@H+]2CCCN(S(=O)(=O)C3CC3)CC2)CC[NH2+]C1 ZINC000261982896 416335914 /nfs/dbraw/zinc/33/59/14/416335914.db2.gz JKQHQTMSENDYBB-CQSZACIVSA-N 2 2 301.456 0.486 10 0 DCAELP C[C@@]1(C[N@H+]2CCCN(S(=O)(=O)C3CC3)CC2)CC[NH2+]C1 ZINC000261982896 416335915 /nfs/dbraw/zinc/33/59/15/416335915.db2.gz JKQHQTMSENDYBB-CQSZACIVSA-N 2 2 301.456 0.486 10 0 DCAELP CC1=CC[NH+](CCNC(=O)NCC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000545150847 416662476 /nfs/dbraw/zinc/66/24/76/416662476.db2.gz YUSSOEUOJMVTPC-HNNXBMFYSA-N 2 2 310.442 0.658 10 0 DCAELP CC1=CC[NH+](CCNC(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000545150847 416662479 /nfs/dbraw/zinc/66/24/79/416662479.db2.gz YUSSOEUOJMVTPC-HNNXBMFYSA-N 2 2 310.442 0.658 10 0 DCAELP CC1=CC[N@H+](CCNC(=O)NCC[NH+]2CCOC[C@@H]2C)CC1 ZINC000545150847 416662482 /nfs/dbraw/zinc/66/24/82/416662482.db2.gz YUSSOEUOJMVTPC-HNNXBMFYSA-N 2 2 310.442 0.658 10 0 DCAELP CC1=CC[N@@H+](CCNC(=O)NCC[NH+]2CCOC[C@@H]2C)CC1 ZINC000545150847 416662485 /nfs/dbraw/zinc/66/24/85/416662485.db2.gz YUSSOEUOJMVTPC-HNNXBMFYSA-N 2 2 310.442 0.658 10 0 DCAELP CC(C)[NH+]1CCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000557349690 416731343 /nfs/dbraw/zinc/73/13/43/416731343.db2.gz JYUDEABRAHIJQP-UHFFFAOYSA-N 2 2 315.377 0.825 10 0 DCAELP c1n[nH]cc1C[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000624212888 416981833 /nfs/dbraw/zinc/98/18/33/416981833.db2.gz BZXZSUGSQFOQEE-UHFFFAOYSA-N 2 2 301.398 0.502 10 0 DCAELP CC(=O)[C@@](C)(O)C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000450775067 417266211 /nfs/dbraw/zinc/26/62/11/417266211.db2.gz DSKCNNIPLZKZFX-ROUUACIJSA-N 2 2 320.433 0.895 10 0 DCAELP CC(=O)[C@@](C)(O)C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000450775067 417266218 /nfs/dbraw/zinc/26/62/18/417266218.db2.gz DSKCNNIPLZKZFX-ROUUACIJSA-N 2 2 320.433 0.895 10 0 DCAELP CC(=O)[C@@](C)(O)C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000450775067 417266222 /nfs/dbraw/zinc/26/62/22/417266222.db2.gz DSKCNNIPLZKZFX-ROUUACIJSA-N 2 2 320.433 0.895 10 0 DCAELP CC(=O)[C@@](C)(O)C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000450775067 417266230 /nfs/dbraw/zinc/26/62/30/417266230.db2.gz DSKCNNIPLZKZFX-ROUUACIJSA-N 2 2 320.433 0.895 10 0 DCAELP c1cc(N2CC([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)C2)ncn1 ZINC000631748261 417932786 /nfs/dbraw/zinc/93/27/86/417932786.db2.gz AOIZKZYWNPSNMR-OAHLLOKOSA-N 2 2 303.410 0.508 10 0 DCAELP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000333475150 297108875 /nfs/dbraw/zinc/10/88/75/297108875.db2.gz BJLVIYDCNIBEOT-QLFBSQMISA-N 2 2 310.442 0.491 10 0 DCAELP [NH3+][C@@H]1CC[C@@H](C(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)C1 ZINC000246581991 527365854 /nfs/dbraw/zinc/36/58/54/527365854.db2.gz VRAKTQPVSCGQTG-ZACQAIPSSA-N 2 2 317.433 0.992 10 0 DCAELP C[C@@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@@H](C)O1 ZINC000179300909 545897745 /nfs/dbraw/zinc/89/77/45/545897745.db2.gz DYEFKCTURFVQPJ-ZIAGYGMSSA-N 2 2 312.458 0.831 10 0 DCAELP CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000246110021 545963245 /nfs/dbraw/zinc/96/32/45/545963245.db2.gz ZRIFFZFVMWZORQ-RBSFLKMASA-N 2 2 318.483 0.779 10 0 DCAELP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000333287519 546076277 /nfs/dbraw/zinc/07/62/77/546076277.db2.gz NUFWKLPFOGZNAW-MELADBBJSA-N 2 2 305.426 0.623 10 0 DCAELP CC(C)(C)S(=O)(=O)CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261912181 661820297 /nfs/dbraw/zinc/82/02/97/661820297.db2.gz JEBYAEJUYDFPHF-MCIONIFRSA-N 2 2 318.483 0.946 10 0 DCAELP O=C(NCC[N@H+]1CC=CCC1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000567008639 291332866 /nfs/dbraw/zinc/33/28/66/291332866.db2.gz CFSYWNNRQDCTSU-UHFFFAOYSA-N 2 2 313.361 0.651 10 0 DCAELP O=C(NCC[N@@H+]1CC=CCC1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000567008639 291332867 /nfs/dbraw/zinc/33/28/67/291332867.db2.gz CFSYWNNRQDCTSU-UHFFFAOYSA-N 2 2 313.361 0.651 10 0 DCAELP Cn1cc[nH+]c1[C@@H](NC(=O)C1CC[NH+](CC(N)=O)CC1)C1CC1 ZINC000091794423 193109329 /nfs/dbraw/zinc/10/93/29/193109329.db2.gz AYRHXYFJANPHDP-AWEZNQCLSA-N 2 2 319.409 0.185 10 0 DCAELP CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516080 395831022 /nfs/dbraw/zinc/83/10/22/395831022.db2.gz PBOIHDMQFWZSBR-CYBMUJFWSA-N 2 2 319.409 0.970 10 0 DCAELP CCNC(=O)NC(=O)C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516080 395831024 /nfs/dbraw/zinc/83/10/24/395831024.db2.gz PBOIHDMQFWZSBR-CYBMUJFWSA-N 2 2 319.409 0.970 10 0 DCAELP C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000246554319 395952812 /nfs/dbraw/zinc/95/28/12/395952812.db2.gz YNUZUJYKVIPKPQ-JKSUJKDBSA-N 2 2 324.469 0.977 10 0 DCAELP C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000246554319 395952814 /nfs/dbraw/zinc/95/28/14/395952814.db2.gz YNUZUJYKVIPKPQ-JKSUJKDBSA-N 2 2 324.469 0.977 10 0 DCAELP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000247215207 395970061 /nfs/dbraw/zinc/97/00/61/395970061.db2.gz VQPWEHPLQBLBGS-GDBMZVCRSA-N 2 2 322.453 0.587 10 0 DCAELP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000247215207 395970062 /nfs/dbraw/zinc/97/00/62/395970062.db2.gz VQPWEHPLQBLBGS-GDBMZVCRSA-N 2 2 322.453 0.587 10 0 DCAELP [NH3+]C1CC[NH+](CC(=O)NCc2cnn(-c3ccccc3)c2)CC1 ZINC000261745109 396061335 /nfs/dbraw/zinc/06/13/35/396061335.db2.gz OKPZMEJCWQCDIS-UHFFFAOYSA-N 2 2 313.405 0.912 10 0 DCAELP C[C@H]1CN(C(=O)NCCCn2cc[nH+]c2)C[C@@H]1[NH+]1CCOCC1 ZINC000177297118 396171433 /nfs/dbraw/zinc/17/14/33/396171433.db2.gz DXXOYHPFFCKGPZ-GJZGRUSLSA-N 2 2 321.425 0.635 10 0 DCAELP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C[C@@H]1CC ZINC000263279521 396211299 /nfs/dbraw/zinc/21/12/99/396211299.db2.gz UCQWMHLIRLPFPV-STQMWFEESA-N 2 2 319.396 0.943 10 0 DCAELP CCOCC[N@H+]1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C[C@@H]1CC ZINC000263279521 396211301 /nfs/dbraw/zinc/21/13/01/396211301.db2.gz UCQWMHLIRLPFPV-STQMWFEESA-N 2 2 319.396 0.943 10 0 DCAELP C[C@H]1CN(C(=O)CCCC[NH+]2CCOCC2)CC[N@@H+]1CCO ZINC000187270347 396366848 /nfs/dbraw/zinc/36/68/48/396366848.db2.gz FTSNBLWQXQLDOX-HNNXBMFYSA-N 2 2 313.442 0.014 10 0 DCAELP C[C@H]1CN(C(=O)CCCC[NH+]2CCOCC2)CC[N@H+]1CCO ZINC000187270347 396366849 /nfs/dbraw/zinc/36/68/49/396366849.db2.gz FTSNBLWQXQLDOX-HNNXBMFYSA-N 2 2 313.442 0.014 10 0 DCAELP c1nc(N2CCC[C@H]3C[NH2+]CC[C@@H]32)cc(N2CCOCC2)[nH+]1 ZINC000634813007 396921921 /nfs/dbraw/zinc/92/19/21/396921921.db2.gz WWCSIRMKWARNNL-KBPBESRZSA-N 2 2 303.410 0.892 10 0 DCAELP c1nc(N2CCOCC2)cc(N2CCC[C@H]3C[NH2+]CC[C@@H]32)[nH+]1 ZINC000634813007 396921928 /nfs/dbraw/zinc/92/19/28/396921928.db2.gz WWCSIRMKWARNNL-KBPBESRZSA-N 2 2 303.410 0.892 10 0 DCAELP O[C@H](COC[C@@H]1CCCO1)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000603509464 397614543 /nfs/dbraw/zinc/61/45/43/397614543.db2.gz FYYWNNSXHUIIAC-GJZGRUSLSA-N 2 2 324.425 0.084 10 0 DCAELP C[NH+]1CCN(C(=O)c2cccc(N3CC[NH+](C)CC3)n2)CC1 ZINC000096780299 158124032 /nfs/dbraw/zinc/12/40/32/158124032.db2.gz HWBYIMYPXJDGEW-UHFFFAOYSA-N 2 2 303.410 0.221 10 0 DCAELP CC(C)C[C@H](C[NH+](C)C)NC(=O)NCC[NH+]1CCOCC1 ZINC000124842920 158247773 /nfs/dbraw/zinc/24/77/73/158247773.db2.gz VVTYNJMWXADJEN-CQSZACIVSA-N 2 2 300.447 0.594 10 0 DCAELP C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[NH+](C3CCCC3)CC2)C1 ZINC000172583535 158396331 /nfs/dbraw/zinc/39/63/31/158396331.db2.gz XKNXTLDRGFEITE-MRXNPFEDSA-N 2 2 324.469 0.977 10 0 DCAELP C[N@H+]1CCO[C@H](CNC(=O)N2CCC[NH+](C3CCCC3)CC2)C1 ZINC000172583535 158396332 /nfs/dbraw/zinc/39/63/32/158396332.db2.gz XKNXTLDRGFEITE-MRXNPFEDSA-N 2 2 324.469 0.977 10 0 DCAELP C[NH+]1CCO[C@H](CNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)C1 ZINC000172583535 158396334 /nfs/dbraw/zinc/39/63/34/158396334.db2.gz XKNXTLDRGFEITE-MRXNPFEDSA-N 2 2 324.469 0.977 10 0 DCAELP C[NH+]1CCO[C@H](CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)C1 ZINC000172583535 158396336 /nfs/dbraw/zinc/39/63/36/158396336.db2.gz XKNXTLDRGFEITE-MRXNPFEDSA-N 2 2 324.469 0.977 10 0 DCAELP CO[C@@H]1COC[C@H]1n1cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)nn1 ZINC000329521842 159098989 /nfs/dbraw/zinc/09/89/89/159098989.db2.gz PBZXDHLSZOWTOH-UDUPFKKZSA-N 2 2 323.441 0.683 10 0 DCAELP CO[C@@H]1COC[C@H]1n1cc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)nn1 ZINC000329521842 159098992 /nfs/dbraw/zinc/09/89/92/159098992.db2.gz PBZXDHLSZOWTOH-UDUPFKKZSA-N 2 2 323.441 0.683 10 0 DCAELP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000177359402 287054664 /nfs/dbraw/zinc/05/46/64/287054664.db2.gz AARUQTCDOWLKIP-CABCVRRESA-N 2 2 312.458 0.833 10 0 DCAELP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000177359402 287054665 /nfs/dbraw/zinc/05/46/65/287054665.db2.gz AARUQTCDOWLKIP-CABCVRRESA-N 2 2 312.458 0.833 10 0 DCAELP CC(C)NC(=O)CC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000103150574 415610644 /nfs/dbraw/zinc/61/06/44/415610644.db2.gz LEOURYDZYZKZBI-UHFFFAOYSA-N 2 2 310.442 0.141 10 0 DCAELP Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)[C@@H]3CCC[NH2+]3)C2=O)n(C)n1 ZINC000333318628 415610908 /nfs/dbraw/zinc/61/09/08/415610908.db2.gz UBFWFYNVKCIYRA-IHRRRGAJSA-N 2 2 305.426 0.954 10 0 DCAELP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000175795142 416114812 /nfs/dbraw/zinc/11/48/12/416114812.db2.gz WKDABLRBMHDYPC-LSDHHAIUSA-N 2 2 313.442 0.226 10 0 DCAELP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000175795142 416114817 /nfs/dbraw/zinc/11/48/17/416114817.db2.gz WKDABLRBMHDYPC-LSDHHAIUSA-N 2 2 313.442 0.226 10 0 DCAELP Cc1cnn([C@@H]2CCC[N@@H+](CC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000180482255 416197120 /nfs/dbraw/zinc/19/71/20/416197120.db2.gz RTHMMEDFONLPAQ-OAHLLOKOSA-N 2 2 305.426 0.602 10 0 DCAELP Cc1cnn([C@@H]2CCC[N@H+](CC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000180482255 416197123 /nfs/dbraw/zinc/19/71/23/416197123.db2.gz RTHMMEDFONLPAQ-OAHLLOKOSA-N 2 2 305.426 0.602 10 0 DCAELP C[C@@H](CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)[NH+]1CCCC1 ZINC000552703284 288279164 /nfs/dbraw/zinc/27/91/64/288279164.db2.gz RGNITBDCEXHXKT-LBPRGKRZSA-N 2 2 315.377 0.873 10 0 DCAELP CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)N1CCn2cc[nH+]c2C1 ZINC000262429695 281461338 /nfs/dbraw/zinc/46/13/38/281461338.db2.gz FSLMVJTZNJKWQQ-AXAPSJFSSA-N 2 2 304.394 0.758 10 0 DCAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000113579093 297093264 /nfs/dbraw/zinc/09/32/64/297093264.db2.gz JITIJBKVYRIPNQ-HUUCEWRRSA-N 2 2 324.469 0.975 10 0 DCAELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000113579093 297093266 /nfs/dbraw/zinc/09/32/66/297093266.db2.gz JITIJBKVYRIPNQ-HUUCEWRRSA-N 2 2 324.469 0.975 10 0 DCAELP CC[C@H](O)C[NH+]1CCN(Cc2[nH+]ccc(OC)c2OC)CC1 ZINC000190605388 522814333 /nfs/dbraw/zinc/81/43/33/522814333.db2.gz WZJHJGYAOJUUEF-ZDUSSCGKSA-N 2 2 309.410 0.987 10 0 DCAELP Cc1cccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@@H](O)C[NH2+]3)CC2)c1 ZINC000163646247 524397069 /nfs/dbraw/zinc/39/70/69/524397069.db2.gz IWPKQIVPZAJQKZ-CVEARBPZSA-N 2 2 303.406 0.362 10 0 DCAELP CC(C)[NH2+]C[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000328603583 527735333 /nfs/dbraw/zinc/73/53/33/527735333.db2.gz GSNHZJJLCUMZAQ-AWEZNQCLSA-N 2 2 319.453 0.831 10 0 DCAELP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000246720908 528022270 /nfs/dbraw/zinc/02/22/70/528022270.db2.gz ADCPNLUPGCLGGC-GJZGRUSLSA-N 2 2 312.458 0.594 10 0 DCAELP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000246720908 528022274 /nfs/dbraw/zinc/02/22/74/528022274.db2.gz ADCPNLUPGCLGGC-GJZGRUSLSA-N 2 2 312.458 0.594 10 0 DCAELP CC(C)C[NH+]1CC[C@@H](CNC(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000246720908 528022279 /nfs/dbraw/zinc/02/22/79/528022279.db2.gz ADCPNLUPGCLGGC-GJZGRUSLSA-N 2 2 312.458 0.594 10 0 DCAELP CC(C)C[NH+]1CC[C@@H](CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000246720908 528022283 /nfs/dbraw/zinc/02/22/83/528022283.db2.gz ADCPNLUPGCLGGC-GJZGRUSLSA-N 2 2 312.458 0.594 10 0 DCAELP CCOc1c(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)c(C)nn1CC(C)C ZINC000262087882 545978709 /nfs/dbraw/zinc/97/87/09/545978709.db2.gz GJPTWFNIWQHKGV-UKRRQHHQSA-N 2 2 310.442 0.916 10 0 DCAELP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC[NH+]1CCOCC1 ZINC000246722796 529408642 /nfs/dbraw/zinc/40/86/42/529408642.db2.gz MAUUDJLJCUVNBM-CABCVRRESA-N 2 2 310.442 0.587 10 0 DCAELP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC[NH+]1CCOCC1 ZINC000246722796 529408643 /nfs/dbraw/zinc/40/86/43/529408643.db2.gz MAUUDJLJCUVNBM-CABCVRRESA-N 2 2 310.442 0.587 10 0 DCAELP COCC[NH+]1CCN(C(=O)NCc2ccc[nH+]c2N(C)C)CC1 ZINC000046287001 190675007 /nfs/dbraw/zinc/67/50/07/190675007.db2.gz OYOWKRVEOSFTNQ-UHFFFAOYSA-N 2 2 321.425 0.621 10 0 DCAELP C[C@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@H](C)[NH+]1CCOCC1 ZINC000333364707 299120933 /nfs/dbraw/zinc/12/09/33/299120933.db2.gz LRDQGGDHRTYNPY-XQLPTFJDSA-N 2 2 310.442 0.347 10 0 DCAELP COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000248866245 284216811 /nfs/dbraw/zinc/21/68/11/284216811.db2.gz TVHWVEXTFCWOPR-YDHLFZDLSA-N 2 2 309.410 0.034 10 0 DCAELP COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000248866245 284216813 /nfs/dbraw/zinc/21/68/13/284216813.db2.gz TVHWVEXTFCWOPR-YDHLFZDLSA-N 2 2 309.410 0.034 10 0 DCAELP C[N@@H+]1CCO[C@@H](CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000104779956 194038638 /nfs/dbraw/zinc/03/86/38/194038638.db2.gz GRZXGRNUVHYYIK-ZDUSSCGKSA-N 2 2 312.458 0.925 10 0 DCAELP C[N@H+]1CCO[C@@H](CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000104779956 194038640 /nfs/dbraw/zinc/03/86/40/194038640.db2.gz GRZXGRNUVHYYIK-ZDUSSCGKSA-N 2 2 312.458 0.925 10 0 DCAELP C[NH+](C)CC(=O)N1CC[NH+](C[C@@](C)(O)c2ccccc2)CC1 ZINC000106382674 194204251 /nfs/dbraw/zinc/20/42/51/194204251.db2.gz AACIJJJBMGLQQU-QGZVFWFLSA-N 2 2 305.422 0.600 10 0 DCAELP CO[C@H]1C[C@@H](CN(C)c2cc(N3CCOCC3)[nH+]cn2)[N@H+](C)C1 ZINC000284497887 131086768 /nfs/dbraw/zinc/08/67/68/131086768.db2.gz HZKDOKBCPQVKQQ-KBPBESRZSA-N 2 2 321.425 0.469 10 0 DCAELP CCC(CC)[C@H](CNC(=O)[C@H]1COCC[NH2+]1)[NH+]1CCOCC1 ZINC000236692298 395896241 /nfs/dbraw/zinc/89/62/41/395896241.db2.gz QDTNGXYUAKIFAJ-CABCVRRESA-N 2 2 313.442 0.228 10 0 DCAELP COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000245713684 395935091 /nfs/dbraw/zinc/93/50/91/395935091.db2.gz ZXEGTJHHRNIGOI-KFWWJZLASA-N 2 2 323.437 0.567 10 0 DCAELP COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000245713684 395935095 /nfs/dbraw/zinc/93/50/95/395935095.db2.gz ZXEGTJHHRNIGOI-KFWWJZLASA-N 2 2 323.437 0.567 10 0 DCAELP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2C[NH+](C)CCO2)[C@@H](C)C1 ZINC000246489375 395951453 /nfs/dbraw/zinc/95/14/53/395951453.db2.gz RMWIJGKMOJURNA-ZNMIVQPWSA-N 2 2 312.458 0.689 10 0 DCAELP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2C[NH+](C)CCO2)[C@@H](C)C1 ZINC000246489375 395951455 /nfs/dbraw/zinc/95/14/55/395951455.db2.gz RMWIJGKMOJURNA-ZNMIVQPWSA-N 2 2 312.458 0.689 10 0 DCAELP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2C[N@H+](C)CCO2)[C@@H](C)C1 ZINC000246489375 395951458 /nfs/dbraw/zinc/95/14/58/395951458.db2.gz RMWIJGKMOJURNA-ZNMIVQPWSA-N 2 2 312.458 0.689 10 0 DCAELP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)[C@@H](C)C1 ZINC000246489375 395951459 /nfs/dbraw/zinc/95/14/59/395951459.db2.gz RMWIJGKMOJURNA-ZNMIVQPWSA-N 2 2 312.458 0.689 10 0 DCAELP COc1cc[nH+]cc1NC(=O)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000150776574 395972882 /nfs/dbraw/zinc/97/28/82/395972882.db2.gz NDIZUHSZMBDONJ-YPMHNXCESA-N 2 2 320.393 0.874 10 0 DCAELP COc1cc[nH+]cc1NC(=O)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000150776574 395972884 /nfs/dbraw/zinc/97/28/84/395972884.db2.gz NDIZUHSZMBDONJ-YPMHNXCESA-N 2 2 320.393 0.874 10 0 DCAELP C[N@@H+]1CCO[C@@H](CNC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000247734280 395978052 /nfs/dbraw/zinc/97/80/52/395978052.db2.gz MNWQSGBQURXRQC-STQMWFEESA-N 2 2 307.398 0.977 10 0 DCAELP C[N@H+]1CCO[C@@H](CNC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000247734280 395978053 /nfs/dbraw/zinc/97/80/53/395978053.db2.gz MNWQSGBQURXRQC-STQMWFEESA-N 2 2 307.398 0.977 10 0 DCAELP [NH3+][C@H](Cc1ccccc1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000261845962 396071978 /nfs/dbraw/zinc/07/19/78/396071978.db2.gz CYZMQJNORNKENJ-HZPDHXFCSA-N 2 2 303.406 0.490 10 0 DCAELP [NH3+]Cc1nc(CN2CC[NH+](CCOc3ccccc3)CC2)no1 ZINC000262205265 396110692 /nfs/dbraw/zinc/11/06/92/396110692.db2.gz KYUNWWMJXAGMAR-UHFFFAOYSA-N 2 2 317.393 0.725 10 0 DCAELP CN(CC[NH+](C)C)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000176204165 396151423 /nfs/dbraw/zinc/15/14/23/396151423.db2.gz VFYLAGLAMARIBB-UHFFFAOYSA-N 2 2 302.382 0.970 10 0 DCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000178284358 396192762 /nfs/dbraw/zinc/19/27/62/396192762.db2.gz HUGWSTDFBUMCMB-CYBMUJFWSA-N 2 2 317.393 0.254 10 0 DCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000178284358 396192764 /nfs/dbraw/zinc/19/27/64/396192764.db2.gz HUGWSTDFBUMCMB-CYBMUJFWSA-N 2 2 317.393 0.254 10 0 DCAELP CN(C)c1[nH+]cccc1O[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC000289309038 396458728 /nfs/dbraw/zinc/45/87/28/396458728.db2.gz JAHPNMCBWCOGCC-ZDUSSCGKSA-N 2 2 304.394 0.879 10 0 DCAELP CN(C)c1[nH+]cccc1O[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC000289309038 396458730 /nfs/dbraw/zinc/45/87/30/396458730.db2.gz JAHPNMCBWCOGCC-ZDUSSCGKSA-N 2 2 304.394 0.879 10 0 DCAELP CN(CC1CC1)C(=O)C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000604388766 397638587 /nfs/dbraw/zinc/63/85/87/397638587.db2.gz JSBBKPKDFVJJGY-INIZCTEOSA-N 2 2 308.470 0.567 10 0 DCAELP COC(=O)CNC(=O)CC[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000090004443 158102357 /nfs/dbraw/zinc/10/23/57/158102357.db2.gz WTUVHWOTCWYIRA-ZDUSSCGKSA-N 2 2 322.409 0.354 10 0 DCAELP COC(=O)CNC(=O)CC[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000090004443 158102360 /nfs/dbraw/zinc/10/23/60/158102360.db2.gz WTUVHWOTCWYIRA-ZDUSSCGKSA-N 2 2 322.409 0.354 10 0 DCAELP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3c[nH]cn3)CC2)CC1 ZINC000093142580 158118787 /nfs/dbraw/zinc/11/87/87/158118787.db2.gz IYAZLQWLCADLIE-UHFFFAOYSA-N 2 2 305.426 0.786 10 0 DCAELP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cnc[nH]3)CC2)CC1 ZINC000093142580 158118791 /nfs/dbraw/zinc/11/87/91/158118791.db2.gz IYAZLQWLCADLIE-UHFFFAOYSA-N 2 2 305.426 0.786 10 0 DCAELP CCn1cc(C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000120919985 158205138 /nfs/dbraw/zinc/20/51/38/158205138.db2.gz XNRRWHNOIOQGPC-UHFFFAOYSA-N 2 2 319.453 0.856 10 0 DCAELP C[NH+](C)CCN(C(=O)NC[C@@H]1C[N@H+](C)CCO1)C1CCCC1 ZINC000125030178 158250943 /nfs/dbraw/zinc/25/09/43/158250943.db2.gz UHLVEVGNHOHKDE-OAHLLOKOSA-N 2 2 312.458 0.833 10 0 DCAELP C[NH+](C)CCN(C(=O)NC[C@@H]1C[N@@H+](C)CCO1)C1CCCC1 ZINC000125030178 158250945 /nfs/dbraw/zinc/25/09/45/158250945.db2.gz UHLVEVGNHOHKDE-OAHLLOKOSA-N 2 2 312.458 0.833 10 0 DCAELP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2COCC[NH2+]2)cn1 ZINC000164804987 158363267 /nfs/dbraw/zinc/36/32/67/158363267.db2.gz MCGNEAUYRLBMTF-CYBMUJFWSA-N 2 2 301.350 0.180 10 0 DCAELP CC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000366813108 159289134 /nfs/dbraw/zinc/28/91/34/159289134.db2.gz WHPQTVZJHNWCKS-STQMWFEESA-N 2 2 306.410 0.745 10 0 DCAELP O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000408035701 160018415 /nfs/dbraw/zinc/01/84/15/160018415.db2.gz ZDOMFEPGPNKRCX-HNNXBMFYSA-N 2 2 303.410 0.506 10 0 DCAELP O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000408035701 160018416 /nfs/dbraw/zinc/01/84/16/160018416.db2.gz ZDOMFEPGPNKRCX-HNNXBMFYSA-N 2 2 303.410 0.506 10 0 DCAELP O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000408035701 160018418 /nfs/dbraw/zinc/01/84/18/160018418.db2.gz ZDOMFEPGPNKRCX-HNNXBMFYSA-N 2 2 303.410 0.506 10 0 DCAELP O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000408035701 160018420 /nfs/dbraw/zinc/01/84/20/160018420.db2.gz ZDOMFEPGPNKRCX-HNNXBMFYSA-N 2 2 303.410 0.506 10 0 DCAELP C[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C)[NH+]1CCOCC1 ZINC000246366102 287082166 /nfs/dbraw/zinc/08/21/66/287082166.db2.gz QMDYEBGMOFNZCC-RBSFLKMASA-N 2 2 312.458 0.689 10 0 DCAELP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000079252040 415471286 /nfs/dbraw/zinc/47/12/86/415471286.db2.gz OYJIWUBEHOFYEE-HNNXBMFYSA-N 2 2 314.474 0.936 10 0 DCAELP C[N@@H+]1CCO[C@@H](CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000107847361 415675346 /nfs/dbraw/zinc/67/53/46/415675346.db2.gz KDOHUCCQEUFAHE-HOTGVXAUSA-N 2 2 324.469 0.977 10 0 DCAELP C[N@H+]1CCO[C@@H](CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000107847361 415675349 /nfs/dbraw/zinc/67/53/49/415675349.db2.gz KDOHUCCQEUFAHE-HOTGVXAUSA-N 2 2 324.469 0.977 10 0 DCAELP C[N@@H+]1CCO[C@H]2CCN(C(=O)NC[C@H]3CC[C@H](C[NH3+])CC3)C[C@H]21 ZINC000333758396 415732124 /nfs/dbraw/zinc/73/21/24/415732124.db2.gz AECDNXSYNLFRMV-FPCVCCKLSA-N 2 2 324.469 0.866 10 0 DCAELP C[N@H+]1CCO[C@H]2CCN(C(=O)NC[C@H]3CC[C@H](C[NH3+])CC3)C[C@H]21 ZINC000333758396 415732132 /nfs/dbraw/zinc/73/21/32/415732132.db2.gz AECDNXSYNLFRMV-FPCVCCKLSA-N 2 2 324.469 0.866 10 0 DCAELP C[C@H](O)[C@@H]1CCN(c2cc(N3CC[NH+](C4CC4)CC3)nc[nH+]2)C1 ZINC000334027153 415789529 /nfs/dbraw/zinc/78/95/29/415789529.db2.gz HXOPNKFHMMBTEC-UONOGXRCSA-N 2 2 317.437 0.968 10 0 DCAELP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2CCCc3n[nH]cc32)CC1 ZINC000134467628 415958799 /nfs/dbraw/zinc/95/87/99/415958799.db2.gz VAMSJXKHOMQXTE-CQSZACIVSA-N 2 2 319.453 0.972 10 0 DCAELP O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)[C@]1(F)CC[NH2+]C1 ZINC000163868922 416016814 /nfs/dbraw/zinc/01/68/14/416016814.db2.gz GWGLHKQAGIMMJZ-RDJZCZTQSA-N 2 2 321.396 0.878 10 0 DCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCCOC1 ZINC000171612173 416040351 /nfs/dbraw/zinc/04/03/51/416040351.db2.gz KVJDTRFVCYMSCZ-AWEZNQCLSA-N 2 2 312.458 0.833 10 0 DCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCCOC1 ZINC000171612173 416040355 /nfs/dbraw/zinc/04/03/55/416040355.db2.gz KVJDTRFVCYMSCZ-AWEZNQCLSA-N 2 2 312.458 0.833 10 0 DCAELP C[C@H](CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)[NH+]1CCOCC1 ZINC000182330596 416220222 /nfs/dbraw/zinc/22/02/22/416220222.db2.gz BRGSSOHJAMFKBA-PMPSAXMXSA-N 2 2 324.469 0.833 10 0 DCAELP C[C@H](CNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)[NH+]1CCOCC1 ZINC000182330596 416220227 /nfs/dbraw/zinc/22/02/27/416220227.db2.gz BRGSSOHJAMFKBA-PMPSAXMXSA-N 2 2 324.469 0.833 10 0 DCAELP CN(C)c1noc(C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)n1 ZINC000192765208 416311693 /nfs/dbraw/zinc/31/16/93/416311693.db2.gz IHTFDQFTEBKPEL-AWEZNQCLSA-N 2 2 322.457 0.738 10 0 DCAELP CN(C)c1noc(C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)n1 ZINC000192765208 416311697 /nfs/dbraw/zinc/31/16/97/416311697.db2.gz IHTFDQFTEBKPEL-AWEZNQCLSA-N 2 2 322.457 0.738 10 0 DCAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@H](C)[NH+]2CCOCC2)C1 ZINC000247440474 416332690 /nfs/dbraw/zinc/33/26/90/416332690.db2.gz RYOPFROOIRTSQV-QLFBSQMISA-N 2 2 312.458 0.735 10 0 DCAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@H](C)[NH+]2CCOCC2)C1 ZINC000247440474 416332691 /nfs/dbraw/zinc/33/26/91/416332691.db2.gz RYOPFROOIRTSQV-QLFBSQMISA-N 2 2 312.458 0.735 10 0 DCAELP COC(=O)[C@H](C1CC1)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000359586277 416352068 /nfs/dbraw/zinc/35/20/68/416352068.db2.gz NBROYFKELMQSEA-KBMXLJTQSA-N 2 2 309.454 0.896 10 0 DCAELP COC(=O)[C@H](C1CC1)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000359586277 416352069 /nfs/dbraw/zinc/35/20/69/416352069.db2.gz NBROYFKELMQSEA-KBMXLJTQSA-N 2 2 309.454 0.896 10 0 DCAELP COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515915 416326481 /nfs/dbraw/zinc/32/64/81/416326481.db2.gz ZWVVZLMMTWWRFQ-CHWSQXEVSA-N 2 2 320.393 0.493 10 0 DCAELP COC(=O)CNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515915 416326482 /nfs/dbraw/zinc/32/64/82/416326482.db2.gz ZWVVZLMMTWWRFQ-CHWSQXEVSA-N 2 2 320.393 0.493 10 0 DCAELP CCNC(=O)CC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000408164301 417146884 /nfs/dbraw/zinc/14/68/84/417146884.db2.gz HQELVIJLCNZKNU-ZDUSSCGKSA-N 2 2 310.442 0.140 10 0 DCAELP CCNC(=O)CC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000408164301 417146893 /nfs/dbraw/zinc/14/68/93/417146893.db2.gz HQELVIJLCNZKNU-ZDUSSCGKSA-N 2 2 310.442 0.140 10 0 DCAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NCC(=O)OC)C1 ZINC000105922715 261108145 /nfs/dbraw/zinc/10/81/45/261108145.db2.gz VXTKSAWTAAETJN-GFCCVEGCSA-N 2 2 308.382 0.372 10 0 DCAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NCC(=O)OC)C1 ZINC000105922715 261108148 /nfs/dbraw/zinc/10/81/48/261108148.db2.gz VXTKSAWTAAETJN-GFCCVEGCSA-N 2 2 308.382 0.372 10 0 DCAELP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000173899406 276375251 /nfs/dbraw/zinc/37/52/51/276375251.db2.gz OHCVAFVPJNWRRK-GJZGRUSLSA-N 2 2 310.442 0.587 10 0 DCAELP CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000173899406 276375253 /nfs/dbraw/zinc/37/52/53/276375253.db2.gz OHCVAFVPJNWRRK-GJZGRUSLSA-N 2 2 310.442 0.587 10 0 DCAELP CC[N@H+](CCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)C1CC1 ZINC000173823923 279196144 /nfs/dbraw/zinc/19/61/44/279196144.db2.gz DLAINUUVALRDTQ-OAHLLOKOSA-N 2 2 310.442 0.587 10 0 DCAELP CC[N@@H+](CCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)C1CC1 ZINC000173823923 279196147 /nfs/dbraw/zinc/19/61/47/279196147.db2.gz DLAINUUVALRDTQ-OAHLLOKOSA-N 2 2 310.442 0.587 10 0 DCAELP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000262119352 279373327 /nfs/dbraw/zinc/37/33/27/279373327.db2.gz KMPCCQVTVRPBJV-KFWWJZLASA-N 2 2 305.426 0.802 10 0 DCAELP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)C1 ZINC000261959963 279384288 /nfs/dbraw/zinc/38/42/88/279384288.db2.gz MHFVTFKEVDWOQF-LSDHHAIUSA-N 2 2 304.394 0.275 10 0 DCAELP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)C1 ZINC000261959963 279384289 /nfs/dbraw/zinc/38/42/89/279384289.db2.gz MHFVTFKEVDWOQF-LSDHHAIUSA-N 2 2 304.394 0.275 10 0 DCAELP C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C[C@H]1CCCO1 ZINC000128071649 523497404 /nfs/dbraw/zinc/49/74/04/523497404.db2.gz XXPYXPBTMBKOHZ-OAHLLOKOSA-N 2 2 305.426 0.839 10 0 DCAELP C[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C[C@H]1CCCO1 ZINC000128071649 523497410 /nfs/dbraw/zinc/49/74/10/523497410.db2.gz XXPYXPBTMBKOHZ-OAHLLOKOSA-N 2 2 305.426 0.839 10 0 DCAELP NC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000246170991 526962502 /nfs/dbraw/zinc/96/25/02/526962502.db2.gz JCAMAHKOPOEYBG-LSDHHAIUSA-N 2 2 322.453 0.128 10 0 DCAELP NC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000246170991 526962507 /nfs/dbraw/zinc/96/25/07/526962507.db2.gz JCAMAHKOPOEYBG-LSDHHAIUSA-N 2 2 322.453 0.128 10 0 DCAELP COc1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c(OC(F)F)c1 ZINC000262102473 545979570 /nfs/dbraw/zinc/97/95/70/545979570.db2.gz IZIQPGLHXLRAIT-CMPLNLGQSA-N 2 2 302.321 0.967 10 0 DCAELP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000333802826 546093077 /nfs/dbraw/zinc/09/30/77/546093077.db2.gz IBSPFZZDVBVQOA-NUEKZKHPSA-N 2 2 324.469 0.879 10 0 DCAELP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000333802826 546093078 /nfs/dbraw/zinc/09/30/78/546093078.db2.gz IBSPFZZDVBVQOA-NUEKZKHPSA-N 2 2 324.469 0.879 10 0 DCAELP O=S(=O)(CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)CC1CC1 ZINC000261964348 661933888 /nfs/dbraw/zinc/93/38/88/661933888.db2.gz PVRNENSPJSUIBL-KFWWJZLASA-N 2 2 316.467 0.558 10 0 DCAELP O=S(=O)([C@@H]1CCC[NH2+]C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000042341401 669828080 /nfs/dbraw/zinc/82/80/80/669828080.db2.gz CUXXXAHQGZHBQX-CYBMUJFWSA-N 2 2 310.423 0.285 10 0 DCAELP COC(=O)[C@H]1CC(=O)N(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)C1 ZINC000248414388 685174489 /nfs/dbraw/zinc/17/44/89/685174489.db2.gz GWSIHNABTMDCLU-KBPBESRZSA-N 2 2 320.393 0.635 10 0 DCAELP COC(=O)[C@H]1CC(=O)N(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)C1 ZINC000248414388 685174494 /nfs/dbraw/zinc/17/44/94/685174494.db2.gz GWSIHNABTMDCLU-KBPBESRZSA-N 2 2 320.393 0.635 10 0 DCAELP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000157377806 291228333 /nfs/dbraw/zinc/22/83/33/291228333.db2.gz HYWMOMGXWNGUJP-GASCZTMLSA-N 2 2 324.469 0.482 10 0 DCAELP CN(C)C(=O)[C@H]1CCC[NH+]1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000157377806 291228334 /nfs/dbraw/zinc/22/83/34/291228334.db2.gz HYWMOMGXWNGUJP-GASCZTMLSA-N 2 2 324.469 0.482 10 0 DCAELP CN(C)C(=O)[C@H]1CCC[NH+]1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000157377806 291228335 /nfs/dbraw/zinc/22/83/35/291228335.db2.gz HYWMOMGXWNGUJP-GASCZTMLSA-N 2 2 324.469 0.482 10 0 DCAELP C[C@H](C(=O)N(C)C)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105915968 194167986 /nfs/dbraw/zinc/16/79/86/194167986.db2.gz NCLRHZHJRPQBLN-CQSZACIVSA-N 2 2 307.442 0.756 10 0 DCAELP C[C@H](C(=O)N(C)C)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105915968 194167987 /nfs/dbraw/zinc/16/79/87/194167987.db2.gz NCLRHZHJRPQBLN-CQSZACIVSA-N 2 2 307.442 0.756 10 0 DCAELP Cn1ncc2c1ncnc2N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000275672032 130360052 /nfs/dbraw/zinc/36/00/52/130360052.db2.gz LRAWTQQSMYUZQI-CYBMUJFWSA-N 2 2 316.409 0.910 10 0 DCAELP Cn1ncc2c1ncnc2N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000275672032 130360054 /nfs/dbraw/zinc/36/00/54/130360054.db2.gz LRAWTQQSMYUZQI-CYBMUJFWSA-N 2 2 316.409 0.910 10 0 DCAELP Cn1ncc2c1nc[nH+]c2N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000275672032 130360062 /nfs/dbraw/zinc/36/00/62/130360062.db2.gz LRAWTQQSMYUZQI-CYBMUJFWSA-N 2 2 316.409 0.910 10 0 DCAELP Cn1ncc2c1nc[nH+]c2N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000275672032 130360066 /nfs/dbraw/zinc/36/00/66/130360066.db2.gz LRAWTQQSMYUZQI-CYBMUJFWSA-N 2 2 316.409 0.910 10 0 DCAELP COc1cccc(CNC(=O)C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000193604754 395773804 /nfs/dbraw/zinc/77/38/04/395773804.db2.gz SRQNEZFYOIOVLT-GASCZTMLSA-N 2 2 303.406 0.805 10 0 DCAELP COc1cccc(CNC(=O)C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000193604754 395773806 /nfs/dbraw/zinc/77/38/06/395773806.db2.gz SRQNEZFYOIOVLT-GASCZTMLSA-N 2 2 303.406 0.805 10 0 DCAELP COc1cccc(CNC(=O)C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1 ZINC000193604754 395773808 /nfs/dbraw/zinc/77/38/08/395773808.db2.gz SRQNEZFYOIOVLT-GASCZTMLSA-N 2 2 303.406 0.805 10 0 DCAELP COc1cccc(CNC(=O)C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1 ZINC000193604754 395773811 /nfs/dbraw/zinc/77/38/11/395773811.db2.gz SRQNEZFYOIOVLT-GASCZTMLSA-N 2 2 303.406 0.805 10 0 DCAELP C[N@H+]1C[C@@H]2C[NH+](CC(=O)NCc3ccc4c(c3)OCO4)C[C@@H]2C1 ZINC000193628400 395774533 /nfs/dbraw/zinc/77/45/33/395774533.db2.gz AYSZXMWOLWSPKF-OKILXGFUSA-N 2 2 317.389 0.525 10 0 DCAELP C[N@@H+]1C[C@@H]2C[NH+](CC(=O)NCc3ccc4c(c3)OCO4)C[C@@H]2C1 ZINC000193628400 395774535 /nfs/dbraw/zinc/77/45/35/395774535.db2.gz AYSZXMWOLWSPKF-OKILXGFUSA-N 2 2 317.389 0.525 10 0 DCAELP C[NH+]1C[C@@H]2C[N@@H+](CC(=O)NCc3ccc4c(c3)OCO4)C[C@@H]2C1 ZINC000193628400 395774538 /nfs/dbraw/zinc/77/45/38/395774538.db2.gz AYSZXMWOLWSPKF-OKILXGFUSA-N 2 2 317.389 0.525 10 0 DCAELP C[NH+]1C[C@@H]2C[N@H+](CC(=O)NCc3ccc4c(c3)OCO4)C[C@@H]2C1 ZINC000193628400 395774541 /nfs/dbraw/zinc/77/45/41/395774541.db2.gz AYSZXMWOLWSPKF-OKILXGFUSA-N 2 2 317.389 0.525 10 0 DCAELP C[N@H+]1C[C@@H]2C[NH+](CC(=O)NCCOc3ccccc3)C[C@@H]2C1 ZINC000193644592 395775849 /nfs/dbraw/zinc/77/58/49/395775849.db2.gz QFIPBAIBHYDBPK-GASCZTMLSA-N 2 2 303.406 0.675 10 0 DCAELP C[N@@H+]1C[C@@H]2C[NH+](CC(=O)NCCOc3ccccc3)C[C@@H]2C1 ZINC000193644592 395775852 /nfs/dbraw/zinc/77/58/52/395775852.db2.gz QFIPBAIBHYDBPK-GASCZTMLSA-N 2 2 303.406 0.675 10 0 DCAELP C[NH+]1C[C@@H]2C[N@@H+](CC(=O)NCCOc3ccccc3)C[C@@H]2C1 ZINC000193644592 395775856 /nfs/dbraw/zinc/77/58/56/395775856.db2.gz QFIPBAIBHYDBPK-GASCZTMLSA-N 2 2 303.406 0.675 10 0 DCAELP C[NH+]1C[C@@H]2C[N@H+](CC(=O)NCCOc3ccccc3)C[C@@H]2C1 ZINC000193644592 395775860 /nfs/dbraw/zinc/77/58/60/395775860.db2.gz QFIPBAIBHYDBPK-GASCZTMLSA-N 2 2 303.406 0.675 10 0 DCAELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC000111231131 395803559 /nfs/dbraw/zinc/80/35/59/395803559.db2.gz VDCLOEJEGAEBMY-HNNXBMFYSA-N 2 2 322.453 0.237 10 0 DCAELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC000111231131 395803562 /nfs/dbraw/zinc/80/35/62/395803562.db2.gz VDCLOEJEGAEBMY-HNNXBMFYSA-N 2 2 322.453 0.237 10 0 DCAELP Cn1cc(CC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1 ZINC000194846302 395809614 /nfs/dbraw/zinc/80/96/14/395809614.db2.gz ISCJXNQRRGIDHI-UHFFFAOYSA-N 2 2 319.453 0.637 10 0 DCAELP CCC(CC)[C@H](CNC(=O)[C@@H]1COCC[NH2+]1)[NH+]1CCOCC1 ZINC000236690930 395896302 /nfs/dbraw/zinc/89/63/02/395896302.db2.gz QDTNGXYUAKIFAJ-GJZGRUSLSA-N 2 2 313.442 0.228 10 0 DCAELP CC1(C)C[N@H+](CCNC(=O)N2CC[NH+]3CCCC[C@H]3C2)CCO1 ZINC000246504430 395951352 /nfs/dbraw/zinc/95/13/52/395951352.db2.gz UGPJWSGNPXGALL-HNNXBMFYSA-N 2 2 324.469 0.977 10 0 DCAELP CC1(C)C[N@@H+](CCNC(=O)N2CC[NH+]3CCCC[C@H]3C2)CCO1 ZINC000246504430 395951353 /nfs/dbraw/zinc/95/13/53/395951353.db2.gz UGPJWSGNPXGALL-HNNXBMFYSA-N 2 2 324.469 0.977 10 0 DCAELP CC1(C)C[NH+](CCNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CCO1 ZINC000246504430 395951355 /nfs/dbraw/zinc/95/13/55/395951355.db2.gz UGPJWSGNPXGALL-HNNXBMFYSA-N 2 2 324.469 0.977 10 0 DCAELP CC1(C)C[NH+](CCNC(=O)N2CC[N@H+]3CCCC[C@H]3C2)CCO1 ZINC000246504430 395951356 /nfs/dbraw/zinc/95/13/56/395951356.db2.gz UGPJWSGNPXGALL-HNNXBMFYSA-N 2 2 324.469 0.977 10 0 DCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000247530498 395975714 /nfs/dbraw/zinc/97/57/14/395975714.db2.gz XLRFJYIGQFFMLV-ILXRZTDVSA-N 2 2 310.442 0.585 10 0 DCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000247530498 395975716 /nfs/dbraw/zinc/97/57/16/395975716.db2.gz XLRFJYIGQFFMLV-ILXRZTDVSA-N 2 2 310.442 0.585 10 0 DCAELP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247658081 395977315 /nfs/dbraw/zinc/97/73/15/395977315.db2.gz ZAIUQPGQNXJTGP-GJZGRUSLSA-N 2 2 309.458 0.112 10 0 DCAELP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247658081 395977317 /nfs/dbraw/zinc/97/73/17/395977317.db2.gz ZAIUQPGQNXJTGP-GJZGRUSLSA-N 2 2 309.458 0.112 10 0 DCAELP C[C@H]([NH3+])CC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000261668875 396054757 /nfs/dbraw/zinc/05/47/57/396054757.db2.gz ALFZKWXWFFOVIV-STQMWFEESA-N 2 2 310.442 0.315 10 0 DCAELP CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@H](C)[NH+]2CCOCC2)C1 ZINC000249734407 396012108 /nfs/dbraw/zinc/01/21/08/396012108.db2.gz DEILFHYHIBLOID-GJZGRUSLSA-N 2 2 312.458 0.738 10 0 DCAELP CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@H](C)[NH+]2CCOCC2)C1 ZINC000249734407 396012112 /nfs/dbraw/zinc/01/21/12/396012112.db2.gz DEILFHYHIBLOID-GJZGRUSLSA-N 2 2 312.458 0.738 10 0 DCAELP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000171038295 396104915 /nfs/dbraw/zinc/10/49/15/396104915.db2.gz YKNWZXWNVBQECP-UONOGXRCSA-N 2 2 300.447 0.737 10 0 DCAELP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000171038295 396104919 /nfs/dbraw/zinc/10/49/19/396104919.db2.gz YKNWZXWNVBQECP-UONOGXRCSA-N 2 2 300.447 0.737 10 0 DCAELP CC[NH+]1CCC(NC(=O)CN2CCc3c([nH+]cn3C)C2)CC1 ZINC000069455809 396079604 /nfs/dbraw/zinc/07/96/04/396079604.db2.gz QMXZOUPLLPHMBG-UHFFFAOYSA-N 2 2 305.426 0.379 10 0 DCAELP C([NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)c1nnc2n1CCCC2 ZINC000261956941 396084378 /nfs/dbraw/zinc/08/43/78/396084378.db2.gz OZZBPTAMNCXNHX-MCIONIFRSA-N 2 2 305.426 0.861 10 0 DCAELP O=C1C[C@H]([NH2+][C@@H]2CCCSC2)CN1CC[NH+]1CCOCC1 ZINC000183610042 396271789 /nfs/dbraw/zinc/27/17/89/396271789.db2.gz WCXSUNSFYDEEQJ-KGLIPLIRSA-N 2 2 313.467 0.405 10 0 DCAELP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282223196 396273856 /nfs/dbraw/zinc/27/38/56/396273856.db2.gz YXEUJCSXDFGHPB-NEPJUHHUSA-N 2 2 319.409 0.982 10 0 DCAELP C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282223196 396273857 /nfs/dbraw/zinc/27/38/57/396273857.db2.gz YXEUJCSXDFGHPB-NEPJUHHUSA-N 2 2 319.409 0.982 10 0 DCAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCCC(=O)NC(N)=O)C1 ZINC000179429337 396226839 /nfs/dbraw/zinc/22/68/39/396226839.db2.gz HVKOWNFUMLWBDT-LBPRGKRZSA-N 2 2 307.398 0.650 10 0 DCAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCCC(=O)NC(N)=O)C1 ZINC000179429337 396226844 /nfs/dbraw/zinc/22/68/44/396226844.db2.gz HVKOWNFUMLWBDT-LBPRGKRZSA-N 2 2 307.398 0.650 10 0 DCAELP C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)CC[N@@H+]1CCO ZINC000187270324 396366816 /nfs/dbraw/zinc/36/68/16/396366816.db2.gz FTSNBLWQXQLDOX-OAHLLOKOSA-N 2 2 313.442 0.014 10 0 DCAELP C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)CC[N@H+]1CCO ZINC000187270324 396366817 /nfs/dbraw/zinc/36/68/17/396366817.db2.gz FTSNBLWQXQLDOX-OAHLLOKOSA-N 2 2 313.442 0.014 10 0 DCAELP C[NH+]1CCN(c2ncc(C[N@@H+]3CCn4cncc4C3)cn2)CC1 ZINC000291642581 396503771 /nfs/dbraw/zinc/50/37/71/396503771.db2.gz TYCTZFXHHPECJO-UHFFFAOYSA-N 2 2 313.409 0.441 10 0 DCAELP C[NH+]1CCN(c2ncc(C[N@H+]3CCn4cncc4C3)cn2)CC1 ZINC000291642581 396503773 /nfs/dbraw/zinc/50/37/73/396503773.db2.gz TYCTZFXHHPECJO-UHFFFAOYSA-N 2 2 313.409 0.441 10 0 DCAELP c1cc(N2CC[NH+]([C@@H]3CCOC3)CC2)nc(N2CCOCC2)[nH+]1 ZINC000376295464 396906929 /nfs/dbraw/zinc/90/69/29/396906929.db2.gz HFUWCPGPWKWAAW-CQSZACIVSA-N 2 2 319.409 0.224 10 0 DCAELP C[C@@H](CNC[C@@H](O)C[NH+]1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000390706981 397302225 /nfs/dbraw/zinc/30/22/25/397302225.db2.gz RMJBMFDAFWPQTJ-FUHWJXTLSA-N 2 2 321.465 0.790 10 0 DCAELP C[C@@H](CNC[C@@H](O)C[NH+]1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000390706981 397302226 /nfs/dbraw/zinc/30/22/26/397302226.db2.gz RMJBMFDAFWPQTJ-FUHWJXTLSA-N 2 2 321.465 0.790 10 0 DCAELP Cc1cccn2cc(CC(=O)NC[C@H]3C[NH2+]CCCO3)[nH+]c12 ZINC000579014102 397516106 /nfs/dbraw/zinc/51/61/06/397516106.db2.gz NJCRZZKVGOQIKP-CQSZACIVSA-N 2 2 302.378 0.680 10 0 DCAELP O=C(NCCn1cc[nH+]c1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000080575227 158081049 /nfs/dbraw/zinc/08/10/49/158081049.db2.gz VFEAALAPBNRTNB-HNNXBMFYSA-N 2 2 321.425 0.779 10 0 DCAELP C[N@@H+]1CCO[C@@H](CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000104791003 158129610 /nfs/dbraw/zinc/12/96/10/158129610.db2.gz ROOJXSRGSNBOEL-AWEZNQCLSA-N 2 2 312.458 0.879 10 0 DCAELP C[N@H+]1CCO[C@@H](CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000104791003 158129612 /nfs/dbraw/zinc/12/96/12/158129612.db2.gz ROOJXSRGSNBOEL-AWEZNQCLSA-N 2 2 312.458 0.879 10 0 DCAELP [NH3+]Cc1nc(CN2CC[NH+](CCc3ccccc3)CC2)no1 ZINC000262208919 158785760 /nfs/dbraw/zinc/78/57/60/158785760.db2.gz LKXFBLNVAJFOIR-UHFFFAOYSA-N 2 2 301.394 0.889 10 0 DCAELP CO[C@@H]1COC[C@H]1n1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)nn1 ZINC000329521836 159099187 /nfs/dbraw/zinc/09/91/87/159099187.db2.gz PBZXDHLSZOWTOH-CCECPURYSA-N 2 2 323.441 0.683 10 0 DCAELP CO[C@@H]1COC[C@H]1n1cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)nn1 ZINC000329521836 159099189 /nfs/dbraw/zinc/09/91/89/159099189.db2.gz PBZXDHLSZOWTOH-CCECPURYSA-N 2 2 323.441 0.683 10 0 DCAELP CO[C@@H]1COC[C@H]1n1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)nn1 ZINC000329791390 159119833 /nfs/dbraw/zinc/11/98/33/159119833.db2.gz UMQOMXOAEUZXQZ-DTZQCDIJSA-N 2 2 321.425 0.581 10 0 DCAELP CO[C@@H]1COC[C@H]1n1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)nn1 ZINC000329791390 159119835 /nfs/dbraw/zinc/11/98/35/159119835.db2.gz UMQOMXOAEUZXQZ-DTZQCDIJSA-N 2 2 321.425 0.581 10 0 DCAELP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000333021078 159218935 /nfs/dbraw/zinc/21/89/35/159218935.db2.gz AQOORGMCADEKHB-ZFWWWQNUSA-N 2 2 324.469 0.528 10 0 DCAELP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000333021078 159218936 /nfs/dbraw/zinc/21/89/36/159218936.db2.gz AQOORGMCADEKHB-ZFWWWQNUSA-N 2 2 324.469 0.528 10 0 DCAELP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCC([NH+](C)C)CC1 ZINC000408113955 160038951 /nfs/dbraw/zinc/03/89/51/160038951.db2.gz ZLUCBIZMQSYVHD-OLZOCXBDSA-N 2 2 310.442 0.125 10 0 DCAELP C[C@H](O)[C@@H]1CCN(c2cc(N3CC[N@@H+]4CCC[C@H]4C3)nc[nH+]2)C1 ZINC000408473109 160115898 /nfs/dbraw/zinc/11/58/98/160115898.db2.gz YWPMZYNRUIODEF-ZNMIVQPWSA-N 2 2 317.437 0.968 10 0 DCAELP C[C@H](O)[C@@H]1CCN(c2cc(N3CC[N@H+]4CCC[C@H]4C3)nc[nH+]2)C1 ZINC000408473109 160115899 /nfs/dbraw/zinc/11/58/99/160115899.db2.gz YWPMZYNRUIODEF-ZNMIVQPWSA-N 2 2 317.437 0.968 10 0 DCAELP CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000247775196 287095228 /nfs/dbraw/zinc/09/52/28/287095228.db2.gz QJAUTGJDSOGNFX-CABCVRRESA-N 2 2 311.474 0.406 10 0 DCAELP CC[N@H+]1CCC[C@H](NC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000247775196 287095229 /nfs/dbraw/zinc/09/52/29/287095229.db2.gz QJAUTGJDSOGNFX-CABCVRRESA-N 2 2 311.474 0.406 10 0 DCAELP C[NH+](C)C[C@H](NC(=O)NC[C@@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000105094013 415632647 /nfs/dbraw/zinc/63/26/47/415632647.db2.gz IFDVRKGELDKLMQ-CVEARBPZSA-N 2 2 320.437 0.919 10 0 DCAELP C[NH+](C)C[C@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000105094013 415632653 /nfs/dbraw/zinc/63/26/53/415632653.db2.gz IFDVRKGELDKLMQ-CVEARBPZSA-N 2 2 320.437 0.919 10 0 DCAELP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000333817372 415746304 /nfs/dbraw/zinc/74/63/04/415746304.db2.gz KIABCYULEQWBCU-HOTGVXAUSA-N 2 2 324.469 0.881 10 0 DCAELP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000333817372 415746309 /nfs/dbraw/zinc/74/63/09/415746309.db2.gz KIABCYULEQWBCU-HOTGVXAUSA-N 2 2 324.469 0.881 10 0 DCAELP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000119904662 415750327 /nfs/dbraw/zinc/75/03/27/415750327.db2.gz OLAUFPCQWSDGHL-CQSZACIVSA-N 2 2 323.441 0.944 10 0 DCAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCNC(=O)CC3)c2cc1C ZINC000126131826 415873558 /nfs/dbraw/zinc/87/35/58/415873558.db2.gz BTAQIHOFXFAMAH-AWEZNQCLSA-N 2 2 316.405 0.836 10 0 DCAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCNC(=O)CC3)c2cc1C ZINC000126131826 415873561 /nfs/dbraw/zinc/87/35/61/415873561.db2.gz BTAQIHOFXFAMAH-AWEZNQCLSA-N 2 2 316.405 0.836 10 0 DCAELP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152394890 415965243 /nfs/dbraw/zinc/96/52/43/415965243.db2.gz XXWIBCRESVKRAE-ZIAGYGMSSA-N 2 2 324.469 0.386 10 0 DCAELP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152394890 415965247 /nfs/dbraw/zinc/96/52/47/415965247.db2.gz XXWIBCRESVKRAE-ZIAGYGMSSA-N 2 2 324.469 0.386 10 0 DCAELP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152394890 415965251 /nfs/dbraw/zinc/96/52/51/415965251.db2.gz XXWIBCRESVKRAE-ZIAGYGMSSA-N 2 2 324.469 0.386 10 0 DCAELP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152394890 415965252 /nfs/dbraw/zinc/96/52/52/415965252.db2.gz XXWIBCRESVKRAE-ZIAGYGMSSA-N 2 2 324.469 0.386 10 0 DCAELP CC(=O)N1CCN(C(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000173527833 416060406 /nfs/dbraw/zinc/06/04/06/416060406.db2.gz WAZMLKFGNYBCJG-ZFWWWQNUSA-N 2 2 310.442 0.092 10 0 DCAELP CC(=O)N1CCN(C(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000173527833 416060408 /nfs/dbraw/zinc/06/04/08/416060408.db2.gz WAZMLKFGNYBCJG-ZFWWWQNUSA-N 2 2 310.442 0.092 10 0 DCAELP CC(=O)N1CCN(C(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000173527833 416060411 /nfs/dbraw/zinc/06/04/11/416060411.db2.gz WAZMLKFGNYBCJG-ZFWWWQNUSA-N 2 2 310.442 0.092 10 0 DCAELP CC(=O)N1CCN(C(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000173527833 416060413 /nfs/dbraw/zinc/06/04/13/416060413.db2.gz WAZMLKFGNYBCJG-ZFWWWQNUSA-N 2 2 310.442 0.092 10 0 DCAELP COCCC[N@@H+](C)CCNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000175079835 416095931 /nfs/dbraw/zinc/09/59/31/416095931.db2.gz FFPZAYYOYDEWLC-UHFFFAOYSA-N 2 2 323.441 0.915 10 0 DCAELP C[C@H](CCNC(=O)NC[C@@H]1C[N@H+](C)CCO1)[NH+]1CCCCC1 ZINC000181713404 416212181 /nfs/dbraw/zinc/21/21/81/416212181.db2.gz YEVKJUBBRTXNQT-HUUCEWRRSA-N 2 2 312.458 0.881 10 0 DCAELP C[C@H](CCNC(=O)NC[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCCCC1 ZINC000181713404 416212185 /nfs/dbraw/zinc/21/21/85/416212185.db2.gz YEVKJUBBRTXNQT-HUUCEWRRSA-N 2 2 312.458 0.881 10 0 DCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)CN1CCOCC1 ZINC000178327672 416161111 /nfs/dbraw/zinc/16/11/11/416161111.db2.gz WXCAEKICMSBPIQ-JKSUJKDBSA-N 2 2 308.426 0.349 10 0 DCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](O)CN1CCOCC1 ZINC000178327672 416161115 /nfs/dbraw/zinc/16/11/15/416161115.db2.gz WXCAEKICMSBPIQ-JKSUJKDBSA-N 2 2 308.426 0.349 10 0 DCAELP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCCCC[C@H]([NH3+])C2)CC1 ZINC000631832869 416754768 /nfs/dbraw/zinc/75/47/68/416754768.db2.gz ORMQBLLEIPNKLS-ZFWWWQNUSA-N 2 2 310.442 0.269 10 0 DCAELP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCCCC[C@H]([NH3+])C2)CC1 ZINC000631832869 416754777 /nfs/dbraw/zinc/75/47/77/416754777.db2.gz ORMQBLLEIPNKLS-ZFWWWQNUSA-N 2 2 310.442 0.269 10 0 DCAELP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000638274384 417400527 /nfs/dbraw/zinc/40/05/27/417400527.db2.gz HTQJKUPGKYBKJB-JKSUJKDBSA-N 2 2 304.438 0.608 10 0 DCAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NCC(=O)OC)C1 ZINC000105922718 261107705 /nfs/dbraw/zinc/10/77/05/261107705.db2.gz VXTKSAWTAAETJN-LBPRGKRZSA-N 2 2 308.382 0.372 10 0 DCAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NCC(=O)OC)C1 ZINC000105922718 261107708 /nfs/dbraw/zinc/10/77/08/261107708.db2.gz VXTKSAWTAAETJN-LBPRGKRZSA-N 2 2 308.382 0.372 10 0 DCAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H](O)Cn1ccnn1 ZINC000459699606 272005642 /nfs/dbraw/zinc/00/56/42/272005642.db2.gz OOFVROZVVKNQNY-OIISXLGYSA-N 2 2 315.421 0.749 10 0 DCAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H](O)Cn1ccnn1 ZINC000459699606 272005643 /nfs/dbraw/zinc/00/56/43/272005643.db2.gz OOFVROZVVKNQNY-OIISXLGYSA-N 2 2 315.421 0.749 10 0 DCAELP Cn1ccc(N2CCC[C@@H]([N@@H+]3CC[C@@H]([NH3+])C(C)(C)C3)C2=O)n1 ZINC000261841540 279361902 /nfs/dbraw/zinc/36/19/02/279361902.db2.gz ZUBOFIAMXWHZKG-CHWSQXEVSA-N 2 2 305.426 0.975 10 0 DCAELP Cn1ccc(N2CCC[C@@H]([N@H+]3CC[C@@H]([NH3+])C(C)(C)C3)C2=O)n1 ZINC000261841540 279361903 /nfs/dbraw/zinc/36/19/03/279361903.db2.gz ZUBOFIAMXWHZKG-CHWSQXEVSA-N 2 2 305.426 0.975 10 0 DCAELP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000247142912 288309006 /nfs/dbraw/zinc/30/90/06/288309006.db2.gz JVMBEQMNOSUQIG-CABCVRRESA-N 2 2 324.469 0.975 10 0 DCAELP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000247142912 288309007 /nfs/dbraw/zinc/30/90/07/288309007.db2.gz JVMBEQMNOSUQIG-CABCVRRESA-N 2 2 324.469 0.975 10 0 DCAELP C[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000247142912 288309008 /nfs/dbraw/zinc/30/90/08/288309008.db2.gz JVMBEQMNOSUQIG-CABCVRRESA-N 2 2 324.469 0.975 10 0 DCAELP C[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000247142912 288309009 /nfs/dbraw/zinc/30/90/09/288309009.db2.gz JVMBEQMNOSUQIG-CABCVRRESA-N 2 2 324.469 0.975 10 0 DCAELP O=C(C1CC[NH+](C2CC2)CC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000194692887 303559392 /nfs/dbraw/zinc/55/93/92/303559392.db2.gz IYLSLDJPRYRZFF-MRXNPFEDSA-N 2 2 307.438 0.794 10 0 DCAELP COc1cc[nH+]cc1NC(=O)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000190099254 524863417 /nfs/dbraw/zinc/86/34/17/524863417.db2.gz XYIGEVSGANRBDB-VXGBXAGGSA-N 2 2 318.377 0.724 10 0 DCAELP COc1cc[nH+]cc1NC(=O)C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000190099254 524863433 /nfs/dbraw/zinc/86/34/33/524863433.db2.gz XYIGEVSGANRBDB-VXGBXAGGSA-N 2 2 318.377 0.724 10 0 DCAELP OC[C@@H]1CCCN(c2cc(N3CC[N@@H+]4CCC[C@H]4C3)nc[nH+]2)C1 ZINC000246047906 527590386 /nfs/dbraw/zinc/59/03/86/527590386.db2.gz CCZYJZIHXPMZLC-CABCVRRESA-N 2 2 317.437 0.970 10 0 DCAELP OC[C@@H]1CCCN(c2cc(N3CC[N@H+]4CCC[C@H]4C3)nc[nH+]2)C1 ZINC000246047906 527590392 /nfs/dbraw/zinc/59/03/92/527590392.db2.gz CCZYJZIHXPMZLC-CABCVRRESA-N 2 2 317.437 0.970 10 0 DCAELP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)NCCn2cc[nH+]c2)CC1 ZINC000181526929 199312298 /nfs/dbraw/zinc/31/22/98/199312298.db2.gz UZHKDXQZSBAOBR-CQSZACIVSA-N 2 2 323.441 0.617 10 0 DCAELP C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)NCCn2cc[nH+]c2)C1 ZINC000276107093 529782568 /nfs/dbraw/zinc/78/25/68/529782568.db2.gz WVEBDTWWTVENMD-OAHLLOKOSA-N 2 2 321.425 0.635 10 0 DCAELP C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)NCCn2cc[nH+]c2)C1 ZINC000276107093 529782569 /nfs/dbraw/zinc/78/25/69/529782569.db2.gz WVEBDTWWTVENMD-OAHLLOKOSA-N 2 2 321.425 0.635 10 0 DCAELP C[C@@H](CNC(=O)NC[C@@H]1CCc2[nH+]ccn2C1)[NH+]1CCOCC1 ZINC000275307622 212263669 /nfs/dbraw/zinc/26/36/69/212263669.db2.gz HPHWTFBPWISPRM-KBPBESRZSA-N 2 2 321.425 0.465 10 0 DCAELP C[N@H+](CCNC(=O)NC[C@@H]1C[NH+](C)CCO1)Cc1ccccc1 ZINC000104791541 194040323 /nfs/dbraw/zinc/04/03/23/194040323.db2.gz XQWKJTCXVIMHDK-MRXNPFEDSA-N 2 2 320.437 0.748 10 0 DCAELP C[N@@H+](CCNC(=O)NC[C@@H]1C[NH+](C)CCO1)Cc1ccccc1 ZINC000104791541 194040325 /nfs/dbraw/zinc/04/03/25/194040325.db2.gz XQWKJTCXVIMHDK-MRXNPFEDSA-N 2 2 320.437 0.748 10 0 DCAELP C[NH+](CCNC(=O)NC[C@@H]1C[N@H+](C)CCO1)Cc1ccccc1 ZINC000104791541 194040327 /nfs/dbraw/zinc/04/03/27/194040327.db2.gz XQWKJTCXVIMHDK-MRXNPFEDSA-N 2 2 320.437 0.748 10 0 DCAELP OC[C@H]1CCCN1c1cc(N2CC[NH+](C3CC3)CC2)nc[nH+]1 ZINC000105788710 194127303 /nfs/dbraw/zinc/12/73/03/194127303.db2.gz DBMKHHBBPIVBFA-CQSZACIVSA-N 2 2 303.410 0.722 10 0 DCAELP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000175370140 285256938 /nfs/dbraw/zinc/25/69/38/285256938.db2.gz DUYOIAINDQYJFF-HZPDHXFCSA-N 2 2 324.469 0.977 10 0 DCAELP CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000175370140 285256941 /nfs/dbraw/zinc/25/69/41/285256941.db2.gz DUYOIAINDQYJFF-HZPDHXFCSA-N 2 2 324.469 0.977 10 0 DCAELP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000283828750 131027431 /nfs/dbraw/zinc/02/74/31/131027431.db2.gz FARPWTNWZKJYRT-MCIONIFRSA-N 2 2 307.398 0.386 10 0 DCAELP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000283828750 131027433 /nfs/dbraw/zinc/02/74/33/131027433.db2.gz FARPWTNWZKJYRT-MCIONIFRSA-N 2 2 307.398 0.386 10 0 DCAELP Cc1cccc(OCCNC(=O)C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1 ZINC000193655278 395775346 /nfs/dbraw/zinc/77/53/46/395775346.db2.gz YWMKLISPPGMJSS-IYBDPMFKSA-N 2 2 317.433 0.983 10 0 DCAELP Cc1cccc(OCCNC(=O)C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1 ZINC000193655278 395775348 /nfs/dbraw/zinc/77/53/48/395775348.db2.gz YWMKLISPPGMJSS-IYBDPMFKSA-N 2 2 317.433 0.983 10 0 DCAELP Cc1cccc(OCCNC(=O)C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000193655278 395775349 /nfs/dbraw/zinc/77/53/49/395775349.db2.gz YWMKLISPPGMJSS-IYBDPMFKSA-N 2 2 317.433 0.983 10 0 DCAELP Cc1cccc(OCCNC(=O)C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000193655278 395775351 /nfs/dbraw/zinc/77/53/51/395775351.db2.gz YWMKLISPPGMJSS-IYBDPMFKSA-N 2 2 317.433 0.983 10 0 DCAELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000116400108 395844082 /nfs/dbraw/zinc/84/40/82/395844082.db2.gz BEPWBUZKHFYERW-INIZCTEOSA-N 2 2 308.470 0.711 10 0 DCAELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000116400108 395844083 /nfs/dbraw/zinc/84/40/83/395844083.db2.gz BEPWBUZKHFYERW-INIZCTEOSA-N 2 2 308.470 0.711 10 0 DCAELP O=C(C[C@H]1CSCC[NH2+]1)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000238090760 395921456 /nfs/dbraw/zinc/92/14/56/395921456.db2.gz WXKLQYRQNGRNLV-ZDUSSCGKSA-N 2 2 317.418 0.979 10 0 DCAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@@H](O)CN2CCCC2=O)C1 ZINC000245687459 395934551 /nfs/dbraw/zinc/93/45/51/395934551.db2.gz VHDRZPOCLXXYSL-LSDHHAIUSA-N 2 2 320.437 0.658 10 0 DCAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@@H](O)CN2CCCC2=O)C1 ZINC000245687459 395934555 /nfs/dbraw/zinc/93/45/55/395934555.db2.gz VHDRZPOCLXXYSL-LSDHHAIUSA-N 2 2 320.437 0.658 10 0 DCAELP C[NH+]1CCC[C@H]2CN(C(=O)NC[C@@H]3C[N@H+](C)CCO3)CC[C@@H]21 ZINC000247348736 395972827 /nfs/dbraw/zinc/97/28/27/395972827.db2.gz XZXFQROYAMGKIS-ZNMIVQPWSA-N 2 2 310.442 0.443 10 0 DCAELP C[NH+]1CCC[C@H]2CN(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)CC[C@@H]21 ZINC000247348736 395972829 /nfs/dbraw/zinc/97/28/29/395972829.db2.gz XZXFQROYAMGKIS-ZNMIVQPWSA-N 2 2 310.442 0.443 10 0 DCAELP C[NH+]1CCO[C@H](CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)C1 ZINC000247348736 395972833 /nfs/dbraw/zinc/97/28/33/395972833.db2.gz XZXFQROYAMGKIS-ZNMIVQPWSA-N 2 2 310.442 0.443 10 0 DCAELP C[NH+]1CCO[C@H](CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)C1 ZINC000247348736 395972836 /nfs/dbraw/zinc/97/28/36/395972836.db2.gz XZXFQROYAMGKIS-ZNMIVQPWSA-N 2 2 310.442 0.443 10 0 DCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000247530518 395976182 /nfs/dbraw/zinc/97/61/82/395976182.db2.gz XLRFJYIGQFFMLV-RBSFLKMASA-N 2 2 310.442 0.585 10 0 DCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000247530518 395976186 /nfs/dbraw/zinc/97/61/86/395976186.db2.gz XLRFJYIGQFFMLV-RBSFLKMASA-N 2 2 310.442 0.585 10 0 DCAELP C[C@@H]1CCC[C@H](NC(=O)C[N@H+](C)CC(=O)N2CC[NH2+]CC2)[C@@H]1C ZINC000261822593 396069768 /nfs/dbraw/zinc/06/97/68/396069768.db2.gz WRSLKPAPZMUFRR-KFWWJZLASA-N 2 2 324.469 0.291 10 0 DCAELP C[C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)[C@@H]1C ZINC000261822593 396069773 /nfs/dbraw/zinc/06/97/73/396069773.db2.gz WRSLKPAPZMUFRR-KFWWJZLASA-N 2 2 324.469 0.291 10 0 DCAELP C[NH+](C)C[C@H]1CN(c2cc(N3CCC[C@@H]3CO)nc[nH+]2)CCO1 ZINC000170999892 396103395 /nfs/dbraw/zinc/10/33/95/396103395.db2.gz QAMRSCJEZDYHBR-KGLIPLIRSA-N 2 2 321.425 0.205 10 0 DCAELP C[NH+](C)C[C@H]1CN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)CCO1 ZINC000170999892 396103398 /nfs/dbraw/zinc/10/33/98/396103398.db2.gz QAMRSCJEZDYHBR-KGLIPLIRSA-N 2 2 321.425 0.205 10 0 DCAELP Cc1nn(C)c(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)c1Br ZINC000263306170 396212878 /nfs/dbraw/zinc/21/28/78/396212878.db2.gz XYJLOQZJLGIOSZ-PSASIEDQSA-N 2 2 303.204 0.161 10 0 DCAELP O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263240716 396208463 /nfs/dbraw/zinc/20/84/63/396208463.db2.gz ONVMCWZBSRDZHA-LBPRGKRZSA-N 2 2 317.380 0.745 10 0 DCAELP CCOCCNC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000175944362 396147155 /nfs/dbraw/zinc/14/71/55/396147155.db2.gz XWZOLSKQSRWBDN-CQSZACIVSA-N 2 2 306.410 0.968 10 0 DCAELP CCOCCNC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000175944362 396147158 /nfs/dbraw/zinc/14/71/58/396147158.db2.gz XWZOLSKQSRWBDN-CQSZACIVSA-N 2 2 306.410 0.968 10 0 DCAELP C[N@@H+]1CCO[C@H](CNC(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000177951590 396186650 /nfs/dbraw/zinc/18/66/50/396186650.db2.gz QACTYHOXGJLUCH-CYBMUJFWSA-N 2 2 303.366 0.464 10 0 DCAELP C[N@H+]1CCO[C@H](CNC(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000177951590 396186654 /nfs/dbraw/zinc/18/66/54/396186654.db2.gz QACTYHOXGJLUCH-CYBMUJFWSA-N 2 2 303.366 0.464 10 0 DCAELP C[C@@H]1CN(Cc2ccc(-n3cc[nH+]c3)nc2)CC[N@@H+]1CCO ZINC000187656469 396372054 /nfs/dbraw/zinc/37/20/54/396372054.db2.gz SQDBQWCRMDMMRH-CQSZACIVSA-N 2 2 301.394 0.766 10 0 DCAELP C[C@@H]1CN(Cc2ccc(-n3cc[nH+]c3)nc2)CC[N@H+]1CCO ZINC000187656469 396372056 /nfs/dbraw/zinc/37/20/56/396372056.db2.gz SQDBQWCRMDMMRH-CQSZACIVSA-N 2 2 301.394 0.766 10 0 DCAELP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000190165001 396402626 /nfs/dbraw/zinc/40/26/26/396402626.db2.gz KCSRHVFKKZDAJV-OAHLLOKOSA-N 2 2 312.458 0.834 10 0 DCAELP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000190165001 396402628 /nfs/dbraw/zinc/40/26/28/396402628.db2.gz KCSRHVFKKZDAJV-OAHLLOKOSA-N 2 2 312.458 0.834 10 0 DCAELP CC(C)[NH2+]CCN1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC000193437931 396451446 /nfs/dbraw/zinc/45/14/46/396451446.db2.gz YMNMGUGCFMEDDZ-KRWDZBQOSA-N 2 2 312.502 0.711 10 0 DCAELP Cc1ccc([C@@H]([NH3+])C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000262509342 292202971 /nfs/dbraw/zinc/20/29/71/292202971.db2.gz MUPYAWDDJIICGA-HZPDHXFCSA-N 2 2 303.406 0.928 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](NC(C)=O)C2)CC1 ZINC000076708633 158064970 /nfs/dbraw/zinc/06/49/70/158064970.db2.gz MOZHYFNQNHEDMK-HIFRSBDPSA-N 2 2 310.442 0.140 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H](NC(C)=O)C2)CC1 ZINC000076708633 158064973 /nfs/dbraw/zinc/06/49/73/158064973.db2.gz MOZHYFNQNHEDMK-HIFRSBDPSA-N 2 2 310.442 0.140 10 0 DCAELP CC[N@@H+]1CCOC[C@H]1C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000329367165 159086169 /nfs/dbraw/zinc/08/61/69/159086169.db2.gz ITINIGZLRWWBOO-HNNXBMFYSA-N 2 2 320.437 0.922 10 0 DCAELP CC[N@H+]1CCOC[C@H]1C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000329367165 159086170 /nfs/dbraw/zinc/08/61/70/159086170.db2.gz ITINIGZLRWWBOO-HNNXBMFYSA-N 2 2 320.437 0.922 10 0 DCAELP CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000106541525 415645099 /nfs/dbraw/zinc/64/50/99/415645099.db2.gz QJAUTGJDSOGNFX-LSDHHAIUSA-N 2 2 311.474 0.406 10 0 DCAELP CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000106541525 415645108 /nfs/dbraw/zinc/64/51/08/415645108.db2.gz QJAUTGJDSOGNFX-LSDHHAIUSA-N 2 2 311.474 0.406 10 0 DCAELP CCCNC(=O)CN(C)C(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000173526809 416060740 /nfs/dbraw/zinc/06/07/40/416060740.db2.gz NDHBOWPNAFZNRD-ZIAGYGMSSA-N 2 2 312.458 0.386 10 0 DCAELP CCCNC(=O)CN(C)C(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000173526809 416060743 /nfs/dbraw/zinc/06/07/43/416060743.db2.gz NDHBOWPNAFZNRD-ZIAGYGMSSA-N 2 2 312.458 0.386 10 0 DCAELP CCCNC(=O)CN(C)C(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173526809 416060745 /nfs/dbraw/zinc/06/07/45/416060745.db2.gz NDHBOWPNAFZNRD-ZIAGYGMSSA-N 2 2 312.458 0.386 10 0 DCAELP CCCNC(=O)CN(C)C(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000173526809 416060747 /nfs/dbraw/zinc/06/07/47/416060747.db2.gz NDHBOWPNAFZNRD-ZIAGYGMSSA-N 2 2 312.458 0.386 10 0 DCAELP C[C@@H]1CN(C(=O)c2ccc(C[NH3+])cc2)C[C@H]1[NH+]1CCOCC1 ZINC000178861247 416174336 /nfs/dbraw/zinc/17/43/36/416174336.db2.gz KWZIEQZFPCELOR-CZUORRHYSA-N 2 2 303.406 0.938 10 0 DCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000180532831 416196769 /nfs/dbraw/zinc/19/67/69/416196769.db2.gz ZGTGZZCYDQSRGJ-HNNXBMFYSA-N 3 2 305.426 0.430 10 0 DCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000180532831 416196771 /nfs/dbraw/zinc/19/67/71/416196771.db2.gz ZGTGZZCYDQSRGJ-HNNXBMFYSA-N 3 2 305.426 0.430 10 0 DCAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2nnnn2C)nc[nH+]1 ZINC000189849253 416271667 /nfs/dbraw/zinc/27/16/67/416271667.db2.gz WFCYIVUGBOTVFT-GHMZBOCLSA-N 2 2 317.401 0.361 10 0 DCAELP CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)C[C@H]1C[NH+](C)CCO1 ZINC000632417749 417074158 /nfs/dbraw/zinc/07/41/58/417074158.db2.gz MKFHGSXJALFMLD-ZIAGYGMSSA-N 2 2 319.471 0.063 10 0 DCAELP CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)C[C@H]1C[NH+](C)CCO1 ZINC000632417749 417074164 /nfs/dbraw/zinc/07/41/64/417074164.db2.gz MKFHGSXJALFMLD-ZIAGYGMSSA-N 2 2 319.471 0.063 10 0 DCAELP CC[C@@H]1C[NH+](CC)CCN1S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632417749 417074172 /nfs/dbraw/zinc/07/41/72/417074172.db2.gz MKFHGSXJALFMLD-ZIAGYGMSSA-N 2 2 319.471 0.063 10 0 DCAELP CC[C@@H]1C[NH+](CC)CCN1S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632417749 417074177 /nfs/dbraw/zinc/07/41/77/417074177.db2.gz MKFHGSXJALFMLD-ZIAGYGMSSA-N 2 2 319.471 0.063 10 0 DCAELP C[NH+](C)C1CCN(CCNC(=O)[C@@H]2CCCn3cc[nH+]c32)CC1 ZINC000177153808 261110953 /nfs/dbraw/zinc/11/09/53/261110953.db2.gz KRGCGNXZGCEKSK-OAHLLOKOSA-N 2 2 319.453 0.903 10 0 DCAELP CCC[C@H](C(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1)[NH+](C)C ZINC000179501607 261113073 /nfs/dbraw/zinc/11/30/73/261113073.db2.gz ONLKUAKLRAGHCC-UONOGXRCSA-N 2 2 313.442 0.813 10 0 DCAELP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC1CC[NH+](C)CC1 ZINC000362957408 262089929 /nfs/dbraw/zinc/08/99/29/262089929.db2.gz ITALHRGVBFURQQ-ZDUSSCGKSA-N 2 2 308.382 0.342 10 0 DCAELP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC1CC[NH+](C)CC1 ZINC000362957408 262089931 /nfs/dbraw/zinc/08/99/31/262089931.db2.gz ITALHRGVBFURQQ-ZDUSSCGKSA-N 2 2 308.382 0.342 10 0 DCAELP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC000363545826 262119433 /nfs/dbraw/zinc/11/94/33/262119433.db2.gz NHOXEOIJJLDZEV-HZSPNIEDSA-N 2 2 306.410 0.359 10 0 DCAELP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC000363545826 262119435 /nfs/dbraw/zinc/11/94/35/262119435.db2.gz NHOXEOIJJLDZEV-HZSPNIEDSA-N 2 2 306.410 0.359 10 0 DCAELP CC[N@@H+](CC(=O)NC(N)=O)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108675 276313331 /nfs/dbraw/zinc/31/33/31/276313331.db2.gz VBRXQFGJXTZLMJ-UHFFFAOYSA-N 2 2 319.409 0.815 10 0 DCAELP CC[N@H+](CC(=O)NC(N)=O)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108675 276313333 /nfs/dbraw/zinc/31/33/33/276313333.db2.gz VBRXQFGJXTZLMJ-UHFFFAOYSA-N 2 2 319.409 0.815 10 0 DCAELP C[C@H](C(=O)Nc1ccccc1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000261977194 279236676 /nfs/dbraw/zinc/23/66/76/279236676.db2.gz QVENCVNZWFODSG-CYBMUJFWSA-N 2 2 304.394 0.377 10 0 DCAELP C[C@H](C(=O)Nc1ccccc1)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000261977194 279236677 /nfs/dbraw/zinc/23/66/77/279236677.db2.gz QVENCVNZWFODSG-CYBMUJFWSA-N 2 2 304.394 0.377 10 0 DCAELP O=C(NCCC[NH+]1CCCC1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000552702187 288279288 /nfs/dbraw/zinc/27/92/88/288279288.db2.gz SOCLGKVXCHPDKG-UHFFFAOYSA-N 2 2 315.377 0.875 10 0 DCAELP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000329693058 289047520 /nfs/dbraw/zinc/04/75/20/289047520.db2.gz GZNUQJNAWIFDBX-IJEWVQPXSA-N 2 2 318.421 0.767 10 0 DCAELP C[C@H]([C@H](C)NC(=O)c1c[nH+]ccc1N(C)C)[NH+]1CCOCC1 ZINC000183544292 290206652 /nfs/dbraw/zinc/20/66/52/290206652.db2.gz CQRLDFRLSFPNCQ-QWHCGFSZSA-N 2 2 306.410 0.987 10 0 DCAELP [NH3+]C[C@H](C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC000237807781 295261402 /nfs/dbraw/zinc/26/14/02/295261402.db2.gz CHYKIWXXGJFIQB-HOTGVXAUSA-N 2 2 303.406 0.662 10 0 DCAELP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000247130138 300318551 /nfs/dbraw/zinc/31/85/51/300318551.db2.gz JITIJBKVYRIPNQ-GJZGRUSLSA-N 2 2 324.469 0.975 10 0 DCAELP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000247130138 300318554 /nfs/dbraw/zinc/31/85/54/300318554.db2.gz JITIJBKVYRIPNQ-GJZGRUSLSA-N 2 2 324.469 0.975 10 0 DCAELP C[C@@H](CO)[C@@H](C)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000175800498 341846824 /nfs/dbraw/zinc/84/68/24/341846824.db2.gz GJNSLJSEYWPTAV-QWHCGFSZSA-N 2 2 300.447 0.329 10 0 DCAELP CC[C@@H](O)C[NH+]1CCN(Cc2[nH+]ccc(OC)c2OC)CC1 ZINC000190605405 522999900 /nfs/dbraw/zinc/99/99/00/522999900.db2.gz WZJHJGYAOJUUEF-CYBMUJFWSA-N 2 2 309.410 0.987 10 0 DCAELP [NH3+]C[C@@H]1C[N@H+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)CCCO1 ZINC000333768647 546091846 /nfs/dbraw/zinc/09/18/46/546091846.db2.gz DYCIGANTVJXOBM-KFWWJZLASA-N 2 2 311.426 0.206 10 0 DCAELP [NH3+]C[C@@H]1C[N@@H+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)CCCO1 ZINC000333768647 546091850 /nfs/dbraw/zinc/09/18/50/546091850.db2.gz DYCIGANTVJXOBM-KFWWJZLASA-N 2 2 311.426 0.206 10 0 DCAELP C[C@@H]1C[N@@H+](C[C@H]2CCCN2Cc2noc(C[NH3+])n2)C[C@H](C)O1 ZINC000262146296 662112178 /nfs/dbraw/zinc/11/21/78/662112178.db2.gz FMVJWXXZAIKICI-FRRDWIJNSA-N 2 2 309.414 0.602 10 0 DCAELP C[C@@H]1C[N@H+](C[C@H]2CCCN2Cc2noc(C[NH3+])n2)C[C@H](C)O1 ZINC000262146296 662112179 /nfs/dbraw/zinc/11/21/79/662112179.db2.gz FMVJWXXZAIKICI-FRRDWIJNSA-N 2 2 309.414 0.602 10 0 DCAELP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCOCC2)[C@H](C)C1 ZINC000150755374 186064392 /nfs/dbraw/zinc/06/43/92/186064392.db2.gz OOMWSMQWMBPCNG-CABCVRRESA-N 2 2 312.458 0.690 10 0 DCAELP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCOCC2)[C@H](C)C1 ZINC000150755374 186064393 /nfs/dbraw/zinc/06/43/93/186064393.db2.gz OOMWSMQWMBPCNG-CABCVRRESA-N 2 2 312.458 0.690 10 0 DCAELP Cn1cc[nH+]c1[C@H](NC(=O)C1CC[NH+](CC(N)=O)CC1)C1CC1 ZINC000091794422 193108981 /nfs/dbraw/zinc/10/89/81/193108981.db2.gz AYRHXYFJANPHDP-CQSZACIVSA-N 2 2 319.409 0.185 10 0 DCAELP CC[NH+]1CCN(S(=O)(=O)c2cc(C[NH3+])ccc2F)CC1 ZINC000020188829 182195314 /nfs/dbraw/zinc/19/53/14/182195314.db2.gz WSRFOWBVUQGSFC-UHFFFAOYSA-N 2 2 301.387 0.611 10 0 DCAELP C[NH+]1CCN(Nc2[nH+]cnc(NCc3ccco3)c2N)CC1 ZINC000040756855 183129471 /nfs/dbraw/zinc/12/94/71/183129471.db2.gz OPHRMEZNTWUAPY-UHFFFAOYSA-N 2 2 303.370 0.838 10 0 DCAELP O=C(NCCC[NH+]1CCOCC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105070202 194069326 /nfs/dbraw/zinc/06/93/26/194069326.db2.gz QVWFTRIIQQHVHL-OAHLLOKOSA-N 2 2 310.442 0.588 10 0 DCAELP O=C(NCCC[NH+]1CCOCC1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000105070202 194069327 /nfs/dbraw/zinc/06/93/27/194069327.db2.gz QVWFTRIIQQHVHL-OAHLLOKOSA-N 2 2 310.442 0.588 10 0 DCAELP C[C@@H](C(=O)N(C)C)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105915965 194168307 /nfs/dbraw/zinc/16/83/07/194168307.db2.gz NCLRHZHJRPQBLN-AWEZNQCLSA-N 2 2 307.442 0.756 10 0 DCAELP C[C@@H](C(=O)N(C)C)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105915965 194168308 /nfs/dbraw/zinc/16/83/08/194168308.db2.gz NCLRHZHJRPQBLN-AWEZNQCLSA-N 2 2 307.442 0.756 10 0 DCAELP C[C@H]1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@@H]1O ZINC000090149569 395718435 /nfs/dbraw/zinc/71/84/35/395718435.db2.gz PSYLZXBLEOAOFL-ZFWWWQNUSA-N 2 2 312.458 0.425 10 0 DCAELP CCCCOC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000195179146 395819693 /nfs/dbraw/zinc/81/96/93/395819693.db2.gz NCEFCAXKDOXXHJ-CVEARBPZSA-N 2 2 300.443 0.818 10 0 DCAELP CCCCOC[C@@H](O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000195179146 395819694 /nfs/dbraw/zinc/81/96/94/395819694.db2.gz NCEFCAXKDOXXHJ-CVEARBPZSA-N 2 2 300.443 0.818 10 0 DCAELP COCC[N@H+](C)CCCNc1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000245600497 395932079 /nfs/dbraw/zinc/93/20/79/395932079.db2.gz JZFMEBNXZBIXLH-AWEZNQCLSA-N 2 2 323.441 0.818 10 0 DCAELP COCC[N@@H+](C)CCCNc1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000245600497 395932082 /nfs/dbraw/zinc/93/20/82/395932082.db2.gz JZFMEBNXZBIXLH-AWEZNQCLSA-N 2 2 323.441 0.818 10 0 DCAELP COCC[N@H+](C)CCCNc1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000245600497 395932085 /nfs/dbraw/zinc/93/20/85/395932085.db2.gz JZFMEBNXZBIXLH-AWEZNQCLSA-N 2 2 323.441 0.818 10 0 DCAELP COCC[N@@H+](C)CCCNc1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000245600497 395932088 /nfs/dbraw/zinc/93/20/88/395932088.db2.gz JZFMEBNXZBIXLH-AWEZNQCLSA-N 2 2 323.441 0.818 10 0 DCAELP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCO1)c1ccco1 ZINC000246514139 395952109 /nfs/dbraw/zinc/95/21/09/395952109.db2.gz UYEBTHLLYIJYFZ-CHWSQXEVSA-N 2 2 310.398 0.512 10 0 DCAELP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1ccco1 ZINC000246514139 395952112 /nfs/dbraw/zinc/95/21/12/395952112.db2.gz UYEBTHLLYIJYFZ-CHWSQXEVSA-N 2 2 310.398 0.512 10 0 DCAELP C[NH+]1CCC2(CC1)CN(C(=O)c1ccnc(N)c1)CCC[N@@H+]2C ZINC000067713620 396031846 /nfs/dbraw/zinc/03/18/46/396031846.db2.gz ZJJSARPGQPTHRU-UHFFFAOYSA-N 2 2 317.437 0.906 10 0 DCAELP C[NH+]1CCC2(CC1)CN(C(=O)c1ccnc(N)c1)CCC[N@H+]2C ZINC000067713620 396031847 /nfs/dbraw/zinc/03/18/47/396031847.db2.gz ZJJSARPGQPTHRU-UHFFFAOYSA-N 2 2 317.437 0.906 10 0 DCAELP O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263240714 396208480 /nfs/dbraw/zinc/20/84/80/396208480.db2.gz ONVMCWZBSRDZHA-GFCCVEGCSA-N 2 2 317.380 0.745 10 0 DCAELP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CC[NH+](C2CC2)CC1 ZINC000262547763 396153655 /nfs/dbraw/zinc/15/36/55/396153655.db2.gz RYIPFLAOTKKGSS-VBQJREDUSA-N 2 2 307.438 0.826 10 0 DCAELP Cc1cccc(NC(=O)C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000262567364 396156312 /nfs/dbraw/zinc/15/63/12/396156312.db2.gz WXQGYCGFEFQVLH-INIZCTEOSA-N 2 2 302.422 0.913 10 0 DCAELP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262726536 396175792 /nfs/dbraw/zinc/17/57/92/396175792.db2.gz HIEXKCMUZHISLX-VXGBXAGGSA-N 2 2 310.423 0.790 10 0 DCAELP Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000263297846 396211963 /nfs/dbraw/zinc/21/19/63/396211963.db2.gz WQGKCOKTVZRMRG-KOLCDFICSA-N 2 2 322.331 0.340 10 0 DCAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)NCC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000181946618 396244303 /nfs/dbraw/zinc/24/43/03/396244303.db2.gz VQPQXRXSRYEQSI-STQMWFEESA-N 2 2 313.442 0.859 10 0 DCAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)NCC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000181946618 396244306 /nfs/dbraw/zinc/24/43/06/396244306.db2.gz VQPQXRXSRYEQSI-STQMWFEESA-N 2 2 313.442 0.859 10 0 DCAELP C[C@H]1C[C@@H]([N@H+](C)CC(=O)NCC(=O)OC(C)(C)C)CC[NH+]1C ZINC000181946618 396244308 /nfs/dbraw/zinc/24/43/08/396244308.db2.gz VQPQXRXSRYEQSI-STQMWFEESA-N 2 2 313.442 0.859 10 0 DCAELP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)NCC(=O)OC(C)(C)C)CC[NH+]1C ZINC000181946618 396244310 /nfs/dbraw/zinc/24/43/10/396244310.db2.gz VQPQXRXSRYEQSI-STQMWFEESA-N 2 2 313.442 0.859 10 0 DCAELP Cn1cc[nH+]c1CC[C@@H]1CCCC[N@@H+]1CC(=O)N1CC[NH2+]CC1 ZINC000077471843 396224287 /nfs/dbraw/zinc/22/42/87/396224287.db2.gz WIJHSWCDYISNLM-HNNXBMFYSA-N 3 2 319.453 0.639 10 0 DCAELP Cn1cc[nH+]c1CC[C@@H]1CCCC[N@H+]1CC(=O)N1CC[NH2+]CC1 ZINC000077471843 396224290 /nfs/dbraw/zinc/22/42/90/396224290.db2.gz WIJHSWCDYISNLM-HNNXBMFYSA-N 3 2 319.453 0.639 10 0 DCAELP CNC(=O)C1C[NH+](C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000184784635 396305754 /nfs/dbraw/zinc/30/57/54/396305754.db2.gz SQAHNOGHBOHAHH-INIZCTEOSA-N 2 2 303.406 0.083 10 0 DCAELP CNC(=O)C1C[NH+](C[C@@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000184784635 396305760 /nfs/dbraw/zinc/30/57/60/396305760.db2.gz SQAHNOGHBOHAHH-INIZCTEOSA-N 2 2 303.406 0.083 10 0 DCAELP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC(=O)NC2CCOCC2)C1 ZINC000090004292 158102480 /nfs/dbraw/zinc/10/24/80/158102480.db2.gz PCKHMILPZLIXOK-CQSZACIVSA-N 2 2 320.437 0.970 10 0 DCAELP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC(=O)NC2CCOCC2)C1 ZINC000090004292 158102483 /nfs/dbraw/zinc/10/24/83/158102483.db2.gz PCKHMILPZLIXOK-CQSZACIVSA-N 2 2 320.437 0.970 10 0 DCAELP CC(C)(CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000171897678 158387384 /nfs/dbraw/zinc/38/73/84/158387384.db2.gz ONTAMABCQBDUON-CQSZACIVSA-N 2 2 310.442 0.587 10 0 DCAELP CC(C)(CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000171897678 158387385 /nfs/dbraw/zinc/38/73/85/158387385.db2.gz ONTAMABCQBDUON-CQSZACIVSA-N 2 2 310.442 0.587 10 0 DCAELP CC[N@H+](CCO)CCNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000187122910 287058594 /nfs/dbraw/zinc/05/85/94/287058594.db2.gz INALVIBMDHWFFB-UHFFFAOYSA-N 2 2 309.414 0.261 10 0 DCAELP CC[N@@H+](CCO)CCNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000187122910 287058595 /nfs/dbraw/zinc/05/85/95/287058595.db2.gz INALVIBMDHWFFB-UHFFFAOYSA-N 2 2 309.414 0.261 10 0 DCAELP CCOCC[N@@H+]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C[C@H]1CC ZINC000245461539 287069590 /nfs/dbraw/zinc/06/95/90/287069590.db2.gz NAQCUYIQFVVFDE-HUUCEWRRSA-N 2 2 313.442 0.276 10 0 DCAELP CCOCC[N@H+]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C[C@H]1CC ZINC000245461539 287069593 /nfs/dbraw/zinc/06/95/93/287069593.db2.gz NAQCUYIQFVVFDE-HUUCEWRRSA-N 2 2 313.442 0.276 10 0 DCAELP CCOCC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1CC ZINC000245461539 287069597 /nfs/dbraw/zinc/06/95/97/287069597.db2.gz NAQCUYIQFVVFDE-HUUCEWRRSA-N 2 2 313.442 0.276 10 0 DCAELP CCOCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1CC ZINC000245461539 287069598 /nfs/dbraw/zinc/06/95/98/287069598.db2.gz NAQCUYIQFVVFDE-HUUCEWRRSA-N 2 2 313.442 0.276 10 0 DCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000245659642 287071495 /nfs/dbraw/zinc/07/14/95/287071495.db2.gz CZCVYSSZOSQJQN-RBSFLKMASA-N 2 2 312.458 0.831 10 0 DCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000245659642 287071497 /nfs/dbraw/zinc/07/14/97/287071497.db2.gz CZCVYSSZOSQJQN-RBSFLKMASA-N 2 2 312.458 0.831 10 0 DCAELP COCC[N@H+](C)CCCNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000061952617 415348332 /nfs/dbraw/zinc/34/83/32/415348332.db2.gz GTXQVKRADGCYHS-UHFFFAOYSA-N 2 2 323.441 0.915 10 0 DCAELP COCC[N@@H+](C)CCCNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000061952617 415348354 /nfs/dbraw/zinc/34/83/54/415348354.db2.gz GTXQVKRADGCYHS-UHFFFAOYSA-N 2 2 323.441 0.915 10 0 DCAELP C[NH+](C)C[C@H](NC(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000105094015 415629061 /nfs/dbraw/zinc/62/90/61/415629061.db2.gz IFDVRKGELDKLMQ-HOTGVXAUSA-N 2 2 320.437 0.919 10 0 DCAELP C[NH+](C)C[C@H](NC(=O)NC[C@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000105094015 415629068 /nfs/dbraw/zinc/62/90/68/415629068.db2.gz IFDVRKGELDKLMQ-HOTGVXAUSA-N 2 2 320.437 0.919 10 0 DCAELP C[C@H](CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)[NH+]1CCOCC1 ZINC000173825809 416065804 /nfs/dbraw/zinc/06/58/04/416065804.db2.gz CTOKVHOOJCJUAS-CABCVRRESA-N 2 2 308.426 0.363 10 0 DCAELP C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000174242146 416076350 /nfs/dbraw/zinc/07/63/50/416076350.db2.gz DVZWJMPUGIMQFV-HUUCEWRRSA-N 2 2 310.442 0.444 10 0 DCAELP C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000174242146 416076352 /nfs/dbraw/zinc/07/63/52/416076352.db2.gz DVZWJMPUGIMQFV-HUUCEWRRSA-N 2 2 310.442 0.444 10 0 DCAELP C[N@@H+]1CCO[C@@H](C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000174640462 416082821 /nfs/dbraw/zinc/08/28/21/416082821.db2.gz XQGWKFLYOBFHBB-CQSZACIVSA-N 2 2 304.394 0.497 10 0 DCAELP C[N@H+]1CCO[C@@H](C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000174640462 416082823 /nfs/dbraw/zinc/08/28/23/416082823.db2.gz XQGWKFLYOBFHBB-CQSZACIVSA-N 2 2 304.394 0.497 10 0 DCAELP C[C@@H](CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)[NH+]1CCOCC1 ZINC000177394580 416144135 /nfs/dbraw/zinc/14/41/35/416144135.db2.gz SJYUOCWZRVSTMZ-LSDHHAIUSA-N 2 2 321.425 0.778 10 0 DCAELP CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)[C@H]2C1 ZINC000329409022 416168377 /nfs/dbraw/zinc/16/83/77/416168377.db2.gz ACNSVJBIEMRFPW-SOUVJXGZSA-N 2 2 318.421 0.767 10 0 DCAELP CC[N@H+]1CC[C@H]2OCCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)[C@H]2C1 ZINC000329409022 416168381 /nfs/dbraw/zinc/16/83/81/416168381.db2.gz ACNSVJBIEMRFPW-SOUVJXGZSA-N 2 2 318.421 0.767 10 0 DCAELP COC(=O)[C@H](C1CC1)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000359586269 416352156 /nfs/dbraw/zinc/35/21/56/416352156.db2.gz NBROYFKELMQSEA-BMFZPTHFSA-N 2 2 309.454 0.896 10 0 DCAELP COC(=O)[C@H](C1CC1)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000359586269 416352157 /nfs/dbraw/zinc/35/21/57/416352157.db2.gz NBROYFKELMQSEA-BMFZPTHFSA-N 2 2 309.454 0.896 10 0 DCAELP O=C(NCCCn1cc[nH+]c1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000192804303 261139642 /nfs/dbraw/zinc/13/96/42/261139642.db2.gz SQHZPOSXMDLGPL-CQSZACIVSA-N 2 2 309.414 0.419 10 0 DCAELP CC(C)NS(=O)(=O)[C@H]1CC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000363458775 271192501 /nfs/dbraw/zinc/19/25/01/271192501.db2.gz BEHFKRFVQGZVRS-KGLIPLIRSA-N 2 2 303.472 0.873 10 0 DCAELP CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000363458775 271192502 /nfs/dbraw/zinc/19/25/02/271192502.db2.gz BEHFKRFVQGZVRS-KGLIPLIRSA-N 2 2 303.472 0.873 10 0 DCAELP CC(C)NS(=O)(=O)[C@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000363458775 271192503 /nfs/dbraw/zinc/19/25/03/271192503.db2.gz BEHFKRFVQGZVRS-KGLIPLIRSA-N 2 2 303.472 0.873 10 0 DCAELP CC(C)NS(=O)(=O)[C@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000363458775 271192504 /nfs/dbraw/zinc/19/25/04/271192504.db2.gz BEHFKRFVQGZVRS-KGLIPLIRSA-N 2 2 303.472 0.873 10 0 DCAELP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000329198257 279113373 /nfs/dbraw/zinc/11/33/73/279113373.db2.gz ALDQLUSBAXUTLF-HZSPNIEDSA-N 2 2 306.410 0.359 10 0 DCAELP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000329198257 279113375 /nfs/dbraw/zinc/11/33/75/279113375.db2.gz ALDQLUSBAXUTLF-HZSPNIEDSA-N 2 2 306.410 0.359 10 0 DCAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000262119354 279369147 /nfs/dbraw/zinc/36/91/47/279369147.db2.gz KMPCCQVTVRPBJV-RBSFLKMASA-N 2 2 305.426 0.802 10 0 DCAELP OCC1(CO)C[NH2+]C2(CC[NH+](Cc3ccccc3)CC2)OC1 ZINC000004398952 280403977 /nfs/dbraw/zinc/40/39/77/280403977.db2.gz MSRYUYHRTXQFMG-UHFFFAOYSA-N 2 2 306.406 0.570 10 0 DCAELP [NH3+][C@@H]1CC[C@@H](C(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C1 ZINC000246581963 527365799 /nfs/dbraw/zinc/36/57/99/527365799.db2.gz VRAKTQPVSCGQTG-BRWVUGGUSA-N 2 2 317.433 0.992 10 0 DCAELP CC[C@H](C(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1)[NH+](C)C ZINC000328628222 529599525 /nfs/dbraw/zinc/59/95/25/529599525.db2.gz GZTVDDVGRIAQRR-NWDGAFQWSA-N 2 2 300.403 0.021 10 0 DCAELP CC[C@H](C(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1)[NH+](C)C ZINC000328628222 529599529 /nfs/dbraw/zinc/59/95/29/529599529.db2.gz GZTVDDVGRIAQRR-NWDGAFQWSA-N 2 2 300.403 0.021 10 0 DCAELP CCCn1cc[nH+]c1CNC(=O)C1CC[NH+](CC(N)=O)CC1 ZINC000091459791 193059782 /nfs/dbraw/zinc/05/97/82/193059782.db2.gz QJRVOMYSNQQSCF-UHFFFAOYSA-N 2 2 307.398 0.107 10 0 DCAELP C[C@H]1CN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)C[C@H]1[NH+](C)C ZINC000274965970 212046710 /nfs/dbraw/zinc/04/67/10/212046710.db2.gz XGPLUGNSNHUWNJ-QWHCGFSZSA-N 2 2 318.425 0.141 10 0 DCAELP COC[C@H](O)C[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000346603487 254073642 /nfs/dbraw/zinc/07/36/42/254073642.db2.gz HRBTVTRGTXSEJD-MELADBBJSA-N 2 2 314.405 0.272 10 0 DCAELP COC[C@H](O)C[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000346603487 254073643 /nfs/dbraw/zinc/07/36/43/254073643.db2.gz HRBTVTRGTXSEJD-MELADBBJSA-N 2 2 314.405 0.272 10 0 DCAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000247193454 395968890 /nfs/dbraw/zinc/96/88/90/395968890.db2.gz OHLARWMNSWCVAV-CVEARBPZSA-N 2 2 322.453 0.776 10 0 DCAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000247193454 395968895 /nfs/dbraw/zinc/96/88/95/395968895.db2.gz OHLARWMNSWCVAV-CVEARBPZSA-N 2 2 322.453 0.776 10 0 DCAELP C[C@H]([C@H](C)NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)[NH+]1CCOCC1 ZINC000247403081 395973420 /nfs/dbraw/zinc/97/34/20/395973420.db2.gz PNVXWSKQYXXBBJ-JONQDZQNSA-N 2 2 324.469 0.974 10 0 DCAELP C[C@H]([C@H](C)NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C)[NH+]1CCOCC1 ZINC000247403081 395973423 /nfs/dbraw/zinc/97/34/23/395973423.db2.gz PNVXWSKQYXXBBJ-JONQDZQNSA-N 2 2 324.469 0.974 10 0 DCAELP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247658074 395977356 /nfs/dbraw/zinc/97/73/56/395977356.db2.gz ZAIUQPGQNXJTGP-CABCVRRESA-N 2 2 309.458 0.112 10 0 DCAELP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247658074 395977358 /nfs/dbraw/zinc/97/73/58/395977358.db2.gz ZAIUQPGQNXJTGP-CABCVRRESA-N 2 2 309.458 0.112 10 0 DCAELP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000261852832 396072692 /nfs/dbraw/zinc/07/26/92/396072692.db2.gz DPTUROHYJHZSFW-KGLIPLIRSA-N 2 2 310.442 0.045 10 0 DCAELP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000261852832 396072693 /nfs/dbraw/zinc/07/26/93/396072693.db2.gz DPTUROHYJHZSFW-KGLIPLIRSA-N 2 2 310.442 0.045 10 0 DCAELP C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000173908989 396136178 /nfs/dbraw/zinc/13/61/78/396136178.db2.gz XNNUUAFNFCUZNA-CABCVRRESA-N 2 2 310.442 0.444 10 0 DCAELP C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000173908989 396136181 /nfs/dbraw/zinc/13/61/81/396136181.db2.gz XNNUUAFNFCUZNA-CABCVRRESA-N 2 2 310.442 0.444 10 0 DCAELP O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000263219898 396206864 /nfs/dbraw/zinc/20/68/64/396206864.db2.gz LREYDRCXYQZFAK-QWHCGFSZSA-N 2 2 317.380 0.554 10 0 DCAELP CC(C)[C@@H](O)CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179293467 396224904 /nfs/dbraw/zinc/22/49/04/396224904.db2.gz ZWCZCXOTTPBXMJ-AWEZNQCLSA-N 2 2 300.447 0.329 10 0 DCAELP C[NH+](C)CC1(CNC(=O)NC[C@H]2C[N@H+](C)CCO2)CCCC1 ZINC000185623465 396332191 /nfs/dbraw/zinc/33/21/91/396332191.db2.gz UFYGGHNGYNCULV-AWEZNQCLSA-N 2 2 312.458 0.738 10 0 DCAELP C[NH+](C)CC1(CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)CCCC1 ZINC000185623465 396332192 /nfs/dbraw/zinc/33/21/92/396332192.db2.gz UFYGGHNGYNCULV-AWEZNQCLSA-N 2 2 312.458 0.738 10 0 DCAELP C[C@@H]1CCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)C[C@@H]1n1cc[nH+]c1 ZINC000188948813 396389362 /nfs/dbraw/zinc/38/93/62/396389362.db2.gz FKHADGJSNCNDKL-RISCZKNCSA-N 2 2 314.393 0.975 10 0 DCAELP C[C@H]([NH3+])CCC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000193322452 396448848 /nfs/dbraw/zinc/44/88/48/396448848.db2.gz HYISRTCPPOGMIK-KBPBESRZSA-N 2 2 310.442 0.269 10 0 DCAELP C[C@@H]([NH3+])CCC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000193322465 396449002 /nfs/dbraw/zinc/44/90/02/396449002.db2.gz HYISRTCPPOGMIK-KGLIPLIRSA-N 2 2 310.442 0.269 10 0 DCAELP CC[N@@H+]1CCC[C@@H](Nc2cc(N3CCN(C)C(=O)C3)[nH+]cn2)C1 ZINC000302565937 396720881 /nfs/dbraw/zinc/72/08/81/396720881.db2.gz NHRIXUNPEORNHZ-CYBMUJFWSA-N 2 2 318.425 0.651 10 0 DCAELP CC[N@H+]1CCC[C@@H](Nc2cc(N3CCN(C)C(=O)C3)[nH+]cn2)C1 ZINC000302565937 396720885 /nfs/dbraw/zinc/72/08/85/396720885.db2.gz NHRIXUNPEORNHZ-CYBMUJFWSA-N 2 2 318.425 0.651 10 0 DCAELP CCN1CCN(C(=O)C[NH+](CC)CC)C[C@@H]1c1[nH+]ccn1C ZINC000328625933 396825355 /nfs/dbraw/zinc/82/53/55/396825355.db2.gz LEBHYWBDNUVYDC-CQSZACIVSA-N 2 2 307.442 0.967 10 0 DCAELP CC(=O)N[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)C(C)C ZINC000617768619 396825350 /nfs/dbraw/zinc/82/53/50/396825350.db2.gz MSFVZFYTTYEKMS-CQSZACIVSA-N 2 2 300.447 0.147 10 0 DCAELP CC(=O)N[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)C(C)C ZINC000617768619 396825352 /nfs/dbraw/zinc/82/53/52/396825352.db2.gz MSFVZFYTTYEKMS-CQSZACIVSA-N 2 2 300.447 0.147 10 0 DCAELP COC(=O)CNC(=O)CC[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090004444 158102150 /nfs/dbraw/zinc/10/21/50/158102150.db2.gz WTUVHWOTCWYIRA-CYBMUJFWSA-N 2 2 322.409 0.354 10 0 DCAELP COC(=O)CNC(=O)CC[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090004444 158102152 /nfs/dbraw/zinc/10/21/52/158102152.db2.gz WTUVHWOTCWYIRA-CYBMUJFWSA-N 2 2 322.409 0.354 10 0 DCAELP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000119785771 158190620 /nfs/dbraw/zinc/19/06/20/158190620.db2.gz ADCPNLUPGCLGGC-LSDHHAIUSA-N 2 2 312.458 0.594 10 0 DCAELP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000119785771 158190623 /nfs/dbraw/zinc/19/06/23/158190623.db2.gz ADCPNLUPGCLGGC-LSDHHAIUSA-N 2 2 312.458 0.594 10 0 DCAELP CC(C)C[NH+]1CC[C@@H](CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000119785771 158190627 /nfs/dbraw/zinc/19/06/27/158190627.db2.gz ADCPNLUPGCLGGC-LSDHHAIUSA-N 2 2 312.458 0.594 10 0 DCAELP CC(C)C[NH+]1CC[C@@H](CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000119785771 158190631 /nfs/dbraw/zinc/19/06/31/158190631.db2.gz ADCPNLUPGCLGGC-LSDHHAIUSA-N 2 2 312.458 0.594 10 0 DCAELP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CC1 ZINC000121115487 158207824 /nfs/dbraw/zinc/20/78/24/158207824.db2.gz HDLJJHZYHKVIQU-OAHLLOKOSA-N 3 2 317.437 0.589 10 0 DCAELP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CC1 ZINC000121115487 158207825 /nfs/dbraw/zinc/20/78/25/158207825.db2.gz HDLJJHZYHKVIQU-OAHLLOKOSA-N 3 2 317.437 0.589 10 0 DCAELP C[C@@H]1CN(c2ccc(CNC(=O)C[NH+](C)C)c[nH+]2)C[C@H](C)O1 ZINC000170756792 158376194 /nfs/dbraw/zinc/37/61/94/158376194.db2.gz CUZWQDRQFSKGDB-BETUJISGSA-N 2 2 306.410 0.873 10 0 DCAELP C[NH+]1CCC(CNC(=O)C2=COCCO2)([NH+]2CCCCC2)CC1 ZINC000172751864 158398666 /nfs/dbraw/zinc/39/86/66/158398666.db2.gz WXWALRYYQZZXGQ-UHFFFAOYSA-N 2 2 323.437 0.941 10 0 DCAELP Cc1[nH+]ccn1-c1cncc(N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)n1 ZINC000328951623 159045786 /nfs/dbraw/zinc/04/57/86/159045786.db2.gz LSXJUJNDTVBEHI-KGLIPLIRSA-N 2 2 314.393 0.880 10 0 DCAELP Cc1[nH+]ccn1-c1cncc(N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)n1 ZINC000328951623 159045788 /nfs/dbraw/zinc/04/57/88/159045788.db2.gz LSXJUJNDTVBEHI-KGLIPLIRSA-N 2 2 314.393 0.880 10 0 DCAELP CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000333346971 415618909 /nfs/dbraw/zinc/61/89/09/415618909.db2.gz ZLGCIZOAKUDNLO-UHFFFAOYSA-N 2 2 310.442 0.635 10 0 DCAELP CC1(C)COCC[N@H+]1CCNC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000333346971 415618913 /nfs/dbraw/zinc/61/89/13/415618913.db2.gz ZLGCIZOAKUDNLO-UHFFFAOYSA-N 2 2 310.442 0.635 10 0 DCAELP C[N@@H+]1CCO[C@@H](CNC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000104778545 415626593 /nfs/dbraw/zinc/62/65/93/415626593.db2.gz PGOBMIPIOUGDKI-AWEZNQCLSA-N 2 2 312.458 0.881 10 0 DCAELP C[N@H+]1CCO[C@@H](CNC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000104778545 415626601 /nfs/dbraw/zinc/62/66/01/415626601.db2.gz PGOBMIPIOUGDKI-AWEZNQCLSA-N 2 2 312.458 0.881 10 0 DCAELP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000333483843 415665475 /nfs/dbraw/zinc/66/54/75/415665475.db2.gz CLHAMIBGQVPQND-ZBFHGGJFSA-N 2 2 317.437 0.907 10 0 DCAELP C[N@@H+]1CCO[C@@H]2CCN(C(=O)NC[C@H]3CC[C@H](C[NH3+])CC3)C[C@@H]21 ZINC000333758404 415732099 /nfs/dbraw/zinc/73/20/99/415732099.db2.gz AECDNXSYNLFRMV-YHUYYLMFSA-N 2 2 324.469 0.866 10 0 DCAELP C[N@H+]1CCO[C@@H]2CCN(C(=O)NC[C@H]3CC[C@H](C[NH3+])CC3)C[C@@H]21 ZINC000333758404 415732106 /nfs/dbraw/zinc/73/21/06/415732106.db2.gz AECDNXSYNLFRMV-YHUYYLMFSA-N 2 2 324.469 0.866 10 0 DCAELP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000333648655 415704511 /nfs/dbraw/zinc/70/45/11/415704511.db2.gz JLUCKYKSOSQYBR-DYVFJYSZSA-N 2 2 322.453 0.187 10 0 DCAELP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000333648655 415704517 /nfs/dbraw/zinc/70/45/17/415704517.db2.gz JLUCKYKSOSQYBR-DYVFJYSZSA-N 2 2 322.453 0.187 10 0 DCAELP C[C@]1(F)C[NH2+]CCN(C(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000333664676 415707469 /nfs/dbraw/zinc/70/74/69/415707469.db2.gz XLNZZLYUJUIPJZ-AWEZNQCLSA-N 2 2 302.394 0.052 10 0 DCAELP C[C@]1(F)C[NH2+]CCN(C(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000333664676 415707474 /nfs/dbraw/zinc/70/74/74/415707474.db2.gz XLNZZLYUJUIPJZ-AWEZNQCLSA-N 2 2 302.394 0.052 10 0 DCAELP C[C@H]1C[C@H]([NH+](C)CC(=O)NC(=O)NCC(F)(F)F)CC[N@@H+]1C ZINC000123883186 415845482 /nfs/dbraw/zinc/84/54/82/415845482.db2.gz MJTLVKXIWGKYFO-VHSXEESVSA-N 2 2 324.347 0.789 10 0 DCAELP C[C@H]1C[C@H]([NH+](C)CC(=O)NC(=O)NCC(F)(F)F)CC[N@H+]1C ZINC000123883186 415845486 /nfs/dbraw/zinc/84/54/86/415845486.db2.gz MJTLVKXIWGKYFO-VHSXEESVSA-N 2 2 324.347 0.789 10 0 DCAELP C[C@H]1C[C@H]([N@H+](C)CC(=O)NC(=O)NCC(F)(F)F)CC[NH+]1C ZINC000123883186 415845491 /nfs/dbraw/zinc/84/54/91/415845491.db2.gz MJTLVKXIWGKYFO-VHSXEESVSA-N 2 2 324.347 0.789 10 0 DCAELP C[C@H]1C[C@H]([N@@H+](C)CC(=O)NC(=O)NCC(F)(F)F)CC[NH+]1C ZINC000123883186 415845494 /nfs/dbraw/zinc/84/54/94/415845494.db2.gz MJTLVKXIWGKYFO-VHSXEESVSA-N 2 2 324.347 0.789 10 0 DCAELP C[NH+](C)[C@@H](C(=O)NC[C@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC000132950020 415938920 /nfs/dbraw/zinc/93/89/20/415938920.db2.gz QDQNPMPUMZOPRH-JKSUJKDBSA-N 2 2 321.421 0.099 10 0 DCAELP C[NH+]1CCC(CNC(=O)N2CCOCC2)([NH+]2CCCCC2)CC1 ZINC000173256090 416055412 /nfs/dbraw/zinc/05/54/12/416055412.db2.gz GBBISSPXIHEVGI-UHFFFAOYSA-N 2 2 324.469 0.979 10 0 DCAELP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173861282 416066925 /nfs/dbraw/zinc/06/69/25/416066925.db2.gz KXKLZIIKAAIZGA-CVEARBPZSA-N 2 2 324.469 0.977 10 0 DCAELP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173861282 416066929 /nfs/dbraw/zinc/06/69/29/416066929.db2.gz KXKLZIIKAAIZGA-CVEARBPZSA-N 2 2 324.469 0.977 10 0 DCAELP C[C@@H]1C[N@@H+](C2CC[NH+](CCCC(=O)NC(N)=O)CC2)CCO1 ZINC000170928332 416036296 /nfs/dbraw/zinc/03/62/96/416036296.db2.gz XLYZFHCUBNUUHJ-GFCCVEGCSA-N 2 2 312.414 0.147 10 0 DCAELP C[C@@H]1C[N@H+](C2CC[NH+](CCCC(=O)NC(N)=O)CC2)CCO1 ZINC000170928332 416036300 /nfs/dbraw/zinc/03/63/00/416036300.db2.gz XLYZFHCUBNUUHJ-GFCCVEGCSA-N 2 2 312.414 0.147 10 0 DCAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CC(=O)N(C2CC2)[C@H]1c1ccnn1C ZINC000329032629 416145562 /nfs/dbraw/zinc/14/55/62/416145562.db2.gz QCZYZTMNOIVUEF-XZBIERFOSA-N 2 2 317.437 0.764 10 0 DCAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CC(=O)N(C2CC2)[C@H]1c1ccnn1C ZINC000329032629 416145564 /nfs/dbraw/zinc/14/55/64/416145564.db2.gz QCZYZTMNOIVUEF-XZBIERFOSA-N 2 2 317.437 0.764 10 0 DCAELP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178971375 416178695 /nfs/dbraw/zinc/17/86/95/416178695.db2.gz ACRKDJTTZTUXJW-AWEZNQCLSA-N 2 2 305.426 0.513 10 0 DCAELP CCc1nnc(C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)n1C ZINC000179251595 416184385 /nfs/dbraw/zinc/18/43/85/416184385.db2.gz ZKUKQGKRTVQQCO-HNNXBMFYSA-N 2 2 320.485 0.979 10 0 DCAELP CCc1nnc(C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)n1C ZINC000179251595 416184389 /nfs/dbraw/zinc/18/43/89/416184389.db2.gz ZKUKQGKRTVQQCO-HNNXBMFYSA-N 2 2 320.485 0.979 10 0 DCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](O)CN1CCOCC1 ZINC000178327683 416160705 /nfs/dbraw/zinc/16/07/05/416160705.db2.gz WXCAEKICMSBPIQ-HZPDHXFCSA-N 2 2 308.426 0.349 10 0 DCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](O)CN1CCOCC1 ZINC000178327683 416160707 /nfs/dbraw/zinc/16/07/07/416160707.db2.gz WXCAEKICMSBPIQ-HZPDHXFCSA-N 2 2 308.426 0.349 10 0 DCAELP O=C(N1CC[C@H]([NH+]2CCOCC2)C1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262350333 416336749 /nfs/dbraw/zinc/33/67/49/416336749.db2.gz IWIMGZODBGTRDX-YQQAZPJKSA-N 2 2 307.438 0.699 10 0 DCAELP C[N@@H+]1CC[C@@H]2CCN(c3cc(N4CCC[C@@H]4CO)[nH+]cn3)[C@H]2C1 ZINC000330347916 277146793 /nfs/dbraw/zinc/14/67/93/277146793.db2.gz IGFAYNPDIKSEDO-KFWWJZLASA-N 2 2 317.437 0.968 10 0 DCAELP C[N@H+]1CC[C@@H]2CCN(c3cc(N4CCC[C@@H]4CO)[nH+]cn3)[C@H]2C1 ZINC000330347916 277146795 /nfs/dbraw/zinc/14/67/95/277146795.db2.gz IGFAYNPDIKSEDO-KFWWJZLASA-N 2 2 317.437 0.968 10 0 DCAELP O=C(NCCNc1cc[nH+]cc1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000548328413 288132360 /nfs/dbraw/zinc/13/23/60/288132360.db2.gz HFLMNKSZGZQTNV-CYBMUJFWSA-N 2 2 300.366 0.426 10 0 DCAELP O=C(NC1CC[NH+](C2CC2)CC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173769538 279825873 /nfs/dbraw/zinc/82/58/73/279825873.db2.gz LNCOZSFPCGTDDO-INIZCTEOSA-N 2 2 322.453 0.729 10 0 DCAELP CCC[NH+]1CCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000552710071 288279730 /nfs/dbraw/zinc/27/97/30/288279730.db2.gz JRKSVKRPZPYLOQ-UHFFFAOYSA-N 2 2 315.377 0.827 10 0 DCAELP C[NH+](C)C1CCN(CC(O)C[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000194417496 282050854 /nfs/dbraw/zinc/05/08/54/282050854.db2.gz DAMGHBRJNWPPMQ-UHFFFAOYSA-N 3 2 312.502 0.399 10 0 DCAELP C[C@H](C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)n1cncn1 ZINC000329083535 298049616 /nfs/dbraw/zinc/04/96/16/298049616.db2.gz FFHPSWCTADAZJW-UONOGXRCSA-N 2 2 320.441 0.466 10 0 DCAELP C[C@H](C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)n1cncn1 ZINC000329083535 298049620 /nfs/dbraw/zinc/04/96/20/298049620.db2.gz FFHPSWCTADAZJW-UONOGXRCSA-N 2 2 320.441 0.466 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(n3cncn3)CC2)CC1 ZINC000156618689 521667750 /nfs/dbraw/zinc/66/77/50/521667750.db2.gz JYOFAUHZLXOZST-AWEZNQCLSA-N 2 2 320.441 0.468 10 0 DCAELP COCCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000158177768 523902886 /nfs/dbraw/zinc/90/28/86/523902886.db2.gz JWECLYHZBFKEDJ-YIONKMFJSA-N 2 2 310.442 0.585 10 0 DCAELP COCCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000158177768 523902891 /nfs/dbraw/zinc/90/28/91/523902891.db2.gz JWECLYHZBFKEDJ-YIONKMFJSA-N 2 2 310.442 0.585 10 0 DCAELP C[N@@H+]1CC[C@@H]2OCCN(C(=O)Cc3cn4ccccc4[nH+]3)[C@H]2C1 ZINC000285736892 536469375 /nfs/dbraw/zinc/46/93/75/536469375.db2.gz KUFZXKNWFAZFPK-GJZGRUSLSA-N 2 2 314.389 0.808 10 0 DCAELP C[N@H+]1CC[C@@H]2OCCN(C(=O)Cc3cn4ccccc4[nH+]3)[C@H]2C1 ZINC000285736892 536469378 /nfs/dbraw/zinc/46/93/78/536469378.db2.gz KUFZXKNWFAZFPK-GJZGRUSLSA-N 2 2 314.389 0.808 10 0 DCAELP C[N@@H+]1CC[C@H]2OCCN(C(=O)Cc3cn4ccccc4[nH+]3)[C@H]2C1 ZINC000285736899 536479813 /nfs/dbraw/zinc/47/98/13/536479813.db2.gz KUFZXKNWFAZFPK-LSDHHAIUSA-N 2 2 314.389 0.808 10 0 DCAELP C[N@H+]1CC[C@H]2OCCN(C(=O)Cc3cn4ccccc4[nH+]3)[C@H]2C1 ZINC000285736899 536479815 /nfs/dbraw/zinc/47/98/15/536479815.db2.gz KUFZXKNWFAZFPK-LSDHHAIUSA-N 2 2 314.389 0.808 10 0 DCAELP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2[NH2+]CCc3ccccc32)C[C@@H]1C ZINC000252671384 545974994 /nfs/dbraw/zinc/97/49/94/545974994.db2.gz OPCXVPZVFATEAW-ZQIUZPCESA-N 2 2 317.433 0.787 10 0 DCAELP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2[NH2+]CCc3ccccc32)C[C@@H]1C ZINC000252671384 545975001 /nfs/dbraw/zinc/97/50/01/545975001.db2.gz OPCXVPZVFATEAW-ZQIUZPCESA-N 2 2 317.433 0.787 10 0 DCAELP CC(C)[C@@H](CNC(=O)N1CC[NH2+]C[C@@H]1C)N1CC[NH+](C)CC1 ZINC000333887520 546095021 /nfs/dbraw/zinc/09/50/21/546095021.db2.gz GDWUZYPIPHFXFD-LSDHHAIUSA-N 2 2 311.474 0.262 10 0 DCAELP CC(C)[C@H](CNC(=[NH2+])NC[C@@H]1CCCO1)[NH+]1CCN(C)CC1 ZINC000066245104 685065506 /nfs/dbraw/zinc/06/55/06/685065506.db2.gz ZKYRDDZJJQTGTD-GJZGRUSLSA-N 2 2 311.474 0.342 10 0 DCAELP C[N@H+](CC(=O)NC1CC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863101 194149857 /nfs/dbraw/zinc/14/98/57/194149857.db2.gz BAVWZJBIFHXHNX-UHFFFAOYSA-N 2 2 305.426 0.558 10 0 DCAELP C[N@@H+](CC(=O)NC1CC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863101 194149860 /nfs/dbraw/zinc/14/98/60/194149860.db2.gz BAVWZJBIFHXHNX-UHFFFAOYSA-N 2 2 305.426 0.558 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCO[C@]3(CCOC3)C2)CC1 ZINC000185208611 285299109 /nfs/dbraw/zinc/29/91/09/285299109.db2.gz VCXFGBOURLARPF-GDBMZVCRSA-N 2 2 311.426 0.030 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCO[C@]3(CCOC3)C2)CC1 ZINC000185208611 285299112 /nfs/dbraw/zinc/29/91/12/285299112.db2.gz VCXFGBOURLARPF-GDBMZVCRSA-N 2 2 311.426 0.030 10 0 DCAELP CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1 ZINC000193621934 395775041 /nfs/dbraw/zinc/77/50/41/395775041.db2.gz YGKBIFUDVUANTI-SOUVJXGZSA-N 2 2 323.437 0.282 10 0 DCAELP CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1 ZINC000193621934 395775044 /nfs/dbraw/zinc/77/50/44/395775044.db2.gz YGKBIFUDVUANTI-SOUVJXGZSA-N 2 2 323.437 0.282 10 0 DCAELP CCOC(=O)[C@H]1CCCN(C(=O)C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)C1 ZINC000193621934 395775047 /nfs/dbraw/zinc/77/50/47/395775047.db2.gz YGKBIFUDVUANTI-SOUVJXGZSA-N 2 2 323.437 0.282 10 0 DCAELP CCOC(=O)[C@H]1CCCN(C(=O)C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)C1 ZINC000193621934 395775051 /nfs/dbraw/zinc/77/50/51/395775051.db2.gz YGKBIFUDVUANTI-SOUVJXGZSA-N 2 2 323.437 0.282 10 0 DCAELP CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2c[nH+]ccc2OC)C1 ZINC000195047688 395814597 /nfs/dbraw/zinc/81/45/97/395814597.db2.gz ZACIDZQTMKGELD-NSHDSACASA-N 2 2 306.366 0.629 10 0 DCAELP CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2c[nH+]ccc2OC)C1 ZINC000195047688 395814602 /nfs/dbraw/zinc/81/46/02/395814602.db2.gz ZACIDZQTMKGELD-NSHDSACASA-N 2 2 306.366 0.629 10 0 DCAELP COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000245713687 395935438 /nfs/dbraw/zinc/93/54/38/395935438.db2.gz ZXEGTJHHRNIGOI-KKUMJFAQSA-N 2 2 323.437 0.567 10 0 DCAELP COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000245713687 395935439 /nfs/dbraw/zinc/93/54/39/395935439.db2.gz ZXEGTJHHRNIGOI-KKUMJFAQSA-N 2 2 323.437 0.567 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000248369073 395984771 /nfs/dbraw/zinc/98/47/71/395984771.db2.gz VWEXPAGIRNGIST-HOTGVXAUSA-N 2 2 308.470 0.709 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC000248369073 395984775 /nfs/dbraw/zinc/98/47/75/395984775.db2.gz VWEXPAGIRNGIST-HOTGVXAUSA-N 2 2 308.470 0.709 10 0 DCAELP CC(C)NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000162399199 396081588 /nfs/dbraw/zinc/08/15/88/396081588.db2.gz FIMZXXVZWGFVDG-CQSZACIVSA-N 2 2 310.442 0.140 10 0 DCAELP CC(C)NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000162399199 396081592 /nfs/dbraw/zinc/08/15/92/396081592.db2.gz FIMZXXVZWGFVDG-CQSZACIVSA-N 2 2 310.442 0.140 10 0 DCAELP C[C@H]1CN(C(=O)NCCn2cc[nH+]c2)C[C@@H]1[NH+]1CCOCC1 ZINC000177298133 396170844 /nfs/dbraw/zinc/17/08/44/396170844.db2.gz GDWCVBQZKYKCBH-KBPBESRZSA-N 2 2 307.398 0.245 10 0 DCAELP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000263110263 396201823 /nfs/dbraw/zinc/20/18/23/396201823.db2.gz AFAYTUIIWAVJIJ-NEPJUHHUSA-N 2 2 303.353 0.164 10 0 DCAELP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000263110265 396201888 /nfs/dbraw/zinc/20/18/88/396201888.db2.gz AFAYTUIIWAVJIJ-RYUDHWBXSA-N 2 2 303.353 0.164 10 0 DCAELP C[C@@H]1C[C@@H]([NH2+]C[C@]2(CO)COCC3(CCC3)N2C)C[N@@H+]1C1CC1 ZINC000527752835 396547522 /nfs/dbraw/zinc/54/75/22/396547522.db2.gz IUSIVPWLMLBMAK-RKVPGOIHSA-N 2 2 323.481 0.817 10 0 DCAELP C[C@@H]1C[C@@H]([NH2+]C[C@]2(CO)COCC3(CCC3)N2C)C[N@H+]1C1CC1 ZINC000527752835 396547526 /nfs/dbraw/zinc/54/75/26/396547526.db2.gz IUSIVPWLMLBMAK-RKVPGOIHSA-N 2 2 323.481 0.817 10 0 DCAELP CC(=O)N1CCC[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1 ZINC000617768824 396824470 /nfs/dbraw/zinc/82/44/70/396824470.db2.gz VZSCACQATKEXOZ-OAHLLOKOSA-N 2 2 312.458 0.245 10 0 DCAELP CC(=O)N1CCC[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)C1 ZINC000617768824 396824479 /nfs/dbraw/zinc/82/44/79/396824479.db2.gz VZSCACQATKEXOZ-OAHLLOKOSA-N 2 2 312.458 0.245 10 0 DCAELP CC1CC[NH+](CC(=O)N2CCN(C)[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000328630618 396826106 /nfs/dbraw/zinc/82/61/06/396826106.db2.gz QAQUORVUZYOMSS-AWEZNQCLSA-N 2 2 305.426 0.957 10 0 DCAELP C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000572707059 397084846 /nfs/dbraw/zinc/08/48/46/397084846.db2.gz RNMUEZBKAHUPHP-LBPRGKRZSA-N 2 2 315.377 0.731 10 0 DCAELP C[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000572707059 397084853 /nfs/dbraw/zinc/08/48/53/397084853.db2.gz RNMUEZBKAHUPHP-LBPRGKRZSA-N 2 2 315.377 0.731 10 0 DCAELP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)Cn2ccnn2)C[N@@H+]1Cc1ccccc1 ZINC000459706523 397435717 /nfs/dbraw/zinc/43/57/17/397435717.db2.gz VYNRBMIOUSQKJH-OIISXLGYSA-N 2 2 315.421 0.892 10 0 DCAELP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)Cn2ccnn2)C[N@H+]1Cc1ccccc1 ZINC000459706523 397435721 /nfs/dbraw/zinc/43/57/21/397435721.db2.gz VYNRBMIOUSQKJH-OIISXLGYSA-N 2 2 315.421 0.892 10 0 DCAELP C[NH+]1CCN(C(=O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000120695373 158202073 /nfs/dbraw/zinc/20/20/73/158202073.db2.gz SSMKAUXDZISISG-UHFFFAOYSA-N 3 2 308.470 0.568 10 0 DCAELP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC000129078580 158284649 /nfs/dbraw/zinc/28/46/49/158284649.db2.gz RMWIJGKMOJURNA-KFWWJZLASA-N 2 2 312.458 0.689 10 0 DCAELP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC000129078580 158284652 /nfs/dbraw/zinc/28/46/52/158284652.db2.gz RMWIJGKMOJURNA-KFWWJZLASA-N 2 2 312.458 0.689 10 0 DCAELP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC000129078580 158284653 /nfs/dbraw/zinc/28/46/53/158284653.db2.gz RMWIJGKMOJURNA-KFWWJZLASA-N 2 2 312.458 0.689 10 0 DCAELP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC000129078580 158284654 /nfs/dbraw/zinc/28/46/54/158284654.db2.gz RMWIJGKMOJURNA-KFWWJZLASA-N 2 2 312.458 0.689 10 0 DCAELP C[C@@H]1CN(C(=O)[C@@H]2CC23CC[NH2+]CC3)C[C@H]1[NH+]1CCOCC1 ZINC000137270179 158345034 /nfs/dbraw/zinc/34/50/34/158345034.db2.gz CBIOUDZMJJQWBG-QLFBSQMISA-N 2 2 307.438 0.555 10 0 DCAELP C[C@H]1C[NH+](CC2CC[NH+](CCS(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000171303855 158382176 /nfs/dbraw/zinc/38/21/76/158382176.db2.gz ZQURHRZRBMXSCE-KBPBESRZSA-N 2 2 318.483 0.852 10 0 DCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000171593108 158384809 /nfs/dbraw/zinc/38/48/09/158384809.db2.gz JONFVZNMFQDQOO-MRXNPFEDSA-N 2 2 324.469 0.833 10 0 DCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000171593108 158384810 /nfs/dbraw/zinc/38/48/10/158384810.db2.gz JONFVZNMFQDQOO-MRXNPFEDSA-N 2 2 324.469 0.833 10 0 DCAELP OC[C@H]1CCCN(c2cc(N3CC[N@@H+]4CCC[C@@H]4C3)nc[nH+]2)C1 ZINC000171939024 158388378 /nfs/dbraw/zinc/38/83/78/158388378.db2.gz CCZYJZIHXPMZLC-LSDHHAIUSA-N 2 2 317.437 0.970 10 0 DCAELP OC[C@H]1CCCN(c2cc(N3CC[N@H+]4CCC[C@@H]4C3)nc[nH+]2)C1 ZINC000171939024 158388381 /nfs/dbraw/zinc/38/83/81/158388381.db2.gz CCZYJZIHXPMZLC-LSDHHAIUSA-N 2 2 317.437 0.970 10 0 DCAELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000177367457 287054714 /nfs/dbraw/zinc/05/47/14/287054714.db2.gz NCWWBTUMDPIYFV-LSDHHAIUSA-N 2 2 312.458 0.833 10 0 DCAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000177367457 287054716 /nfs/dbraw/zinc/05/47/16/287054716.db2.gz NCWWBTUMDPIYFV-LSDHHAIUSA-N 2 2 312.458 0.833 10 0 DCAELP C[NH+](C)CCC1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000105278801 415632553 /nfs/dbraw/zinc/63/25/53/415632553.db2.gz OSDHDFMTUWFLCK-OAHLLOKOSA-N 2 2 312.458 0.690 10 0 DCAELP C[NH+](C)CCC1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000105278801 415632561 /nfs/dbraw/zinc/63/25/61/415632561.db2.gz OSDHDFMTUWFLCK-OAHLLOKOSA-N 2 2 312.458 0.690 10 0 DCAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000105904136 415636606 /nfs/dbraw/zinc/63/66/06/415636606.db2.gz OHLARWMNSWCVAV-HZPDHXFCSA-N 2 2 322.453 0.776 10 0 DCAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000105904136 415636613 /nfs/dbraw/zinc/63/66/13/415636613.db2.gz OHLARWMNSWCVAV-HZPDHXFCSA-N 2 2 322.453 0.776 10 0 DCAELP C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000333483839 415665033 /nfs/dbraw/zinc/66/50/33/415665033.db2.gz CLHAMIBGQVPQND-GOEBONIOSA-N 2 2 317.437 0.907 10 0 DCAELP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000333483841 415665453 /nfs/dbraw/zinc/66/54/53/415665453.db2.gz CLHAMIBGQVPQND-HOCLYGCPSA-N 2 2 317.437 0.907 10 0 DCAELP C[N@@H+]1CCO[C@@H]2CCN(C(=O)NC[C@H]3CC[C@H](C[NH3+])CC3)C[C@H]21 ZINC000333758399 415731943 /nfs/dbraw/zinc/73/19/43/415731943.db2.gz AECDNXSYNLFRMV-KLHDSHLOSA-N 2 2 324.469 0.866 10 0 DCAELP C[N@H+]1CCO[C@@H]2CCN(C(=O)NC[C@H]3CC[C@H](C[NH3+])CC3)C[C@H]21 ZINC000333758399 415731951 /nfs/dbraw/zinc/73/19/51/415731951.db2.gz AECDNXSYNLFRMV-KLHDSHLOSA-N 2 2 324.469 0.866 10 0 DCAELP C[NH+]1CCC(CNC(=O)c2cn[nH]n2)([NH+]2CCCCC2)CC1 ZINC000172850476 416049228 /nfs/dbraw/zinc/04/92/28/416049228.db2.gz RWQWZCJUAAFJIQ-UHFFFAOYSA-N 2 2 306.414 0.485 10 0 DCAELP C[NH+]1CCC(CNC(=O)c2cnn[nH]2)([NH+]2CCCCC2)CC1 ZINC000172850476 416049231 /nfs/dbraw/zinc/04/92/31/416049231.db2.gz RWQWZCJUAAFJIQ-UHFFFAOYSA-N 2 2 306.414 0.485 10 0 DCAELP C[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCOCC1 ZINC000173826798 416065520 /nfs/dbraw/zinc/06/55/20/416065520.db2.gz JBJCZMCUYKAGJO-ZNMIVQPWSA-N 2 2 310.442 0.585 10 0 DCAELP C[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+]1CCOCC1 ZINC000173826798 416065524 /nfs/dbraw/zinc/06/55/24/416065524.db2.gz JBJCZMCUYKAGJO-ZNMIVQPWSA-N 2 2 310.442 0.585 10 0 DCAELP C[C@H](CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)[NH+]1CCOCC1 ZINC000173825840 416066535 /nfs/dbraw/zinc/06/65/35/416066535.db2.gz CTOKVHOOJCJUAS-HUUCEWRRSA-N 2 2 308.426 0.363 10 0 DCAELP C[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)C[NH+]1CCCC1 ZINC000173893696 416068133 /nfs/dbraw/zinc/06/81/33/416068133.db2.gz FHBJUUCBZLOZPA-HZPDHXFCSA-N 2 2 324.469 0.834 10 0 DCAELP CCC[N@H+](CC)CCNC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000175273776 416100892 /nfs/dbraw/zinc/10/08/92/416100892.db2.gz KIRVYFFOIPDAMW-AWEZNQCLSA-N 2 2 300.447 0.738 10 0 DCAELP CCC[N@@H+](CC)CCNC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000175273776 416100894 /nfs/dbraw/zinc/10/08/94/416100894.db2.gz KIRVYFFOIPDAMW-AWEZNQCLSA-N 2 2 300.447 0.738 10 0 DCAELP C[C@H]1CN(C(=O)[C@H]2CCC(=O)N2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000329079031 416148136 /nfs/dbraw/zinc/14/81/36/416148136.db2.gz BVKLZZBKUHSTQJ-GXTWGEPZSA-N 2 2 308.426 0.732 10 0 DCAELP C[C@H]1CN(C(=O)[C@H]2CCC(=O)N2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000329079031 416148138 /nfs/dbraw/zinc/14/81/38/416148138.db2.gz BVKLZZBKUHSTQJ-GXTWGEPZSA-N 2 2 308.426 0.732 10 0 DCAELP COCCCS(=O)(=O)NCC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000177688450 416149851 /nfs/dbraw/zinc/14/98/51/416149851.db2.gz IGZHCFBXPCSIMP-ZIAGYGMSSA-N 2 2 321.487 0.357 10 0 DCAELP COCCCS(=O)(=O)NCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000177688450 416149855 /nfs/dbraw/zinc/14/98/55/416149855.db2.gz IGZHCFBXPCSIMP-ZIAGYGMSSA-N 2 2 321.487 0.357 10 0 DCAELP COCCCS(=O)(=O)NCC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000177688450 416149857 /nfs/dbraw/zinc/14/98/57/416149857.db2.gz IGZHCFBXPCSIMP-ZIAGYGMSSA-N 2 2 321.487 0.357 10 0 DCAELP COCCCS(=O)(=O)NCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000177688450 416149861 /nfs/dbraw/zinc/14/98/61/416149861.db2.gz IGZHCFBXPCSIMP-ZIAGYGMSSA-N 2 2 321.487 0.357 10 0 DCAELP CC[C@@H]1CN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC[N@@H+]1CCOC ZINC000263118270 416337433 /nfs/dbraw/zinc/33/74/33/416337433.db2.gz ATGVAYPYDZNUML-VXGBXAGGSA-N 2 2 305.369 0.553 10 0 DCAELP CC[C@@H]1CN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC[N@H+]1CCOC ZINC000263118270 416337434 /nfs/dbraw/zinc/33/74/34/416337434.db2.gz ATGVAYPYDZNUML-VXGBXAGGSA-N 2 2 305.369 0.553 10 0 DCAELP CN(C)c1nc(N2CC[NH+](CCc3ccnn3C)CC2)cc[nH+]1 ZINC000514800354 416676742 /nfs/dbraw/zinc/67/67/42/416676742.db2.gz GUFAGHMTAFMLIV-UHFFFAOYSA-N 2 2 315.425 0.641 10 0 DCAELP CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCCCC[C@H]([NH3+])C2)C1 ZINC000631834032 416755079 /nfs/dbraw/zinc/75/50/79/416755079.db2.gz NIYLWQZYKVWYGC-KGLIPLIRSA-N 2 2 303.472 0.861 10 0 DCAELP CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCCCC[C@H]([NH3+])C2)C1 ZINC000631834032 416755088 /nfs/dbraw/zinc/75/50/88/416755088.db2.gz NIYLWQZYKVWYGC-KGLIPLIRSA-N 2 2 303.472 0.861 10 0 DCAELP Cc1cc(C)n(CC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000369275828 416742247 /nfs/dbraw/zinc/74/22/47/416742247.db2.gz YZYKOHBTGHQYDZ-OAHLLOKOSA-N 2 2 319.453 0.785 10 0 DCAELP Cc1cc(C)n(CC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000369275828 416742253 /nfs/dbraw/zinc/74/22/53/416742253.db2.gz YZYKOHBTGHQYDZ-OAHLLOKOSA-N 2 2 319.453 0.785 10 0 DCAELP O=S1(=O)CCC[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000634955724 417549492 /nfs/dbraw/zinc/54/94/92/417549492.db2.gz OPEMOYFMSSENPO-ZIAGYGMSSA-N 2 2 304.456 0.390 10 0 DCAELP C[NH+](C)CCN1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000362786978 262072530 /nfs/dbraw/zinc/07/25/30/262072530.db2.gz FUMJCVDQXGUMMX-AWEZNQCLSA-N 2 2 305.426 0.151 10 0 DCAELP C=CC(=O)NCCC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370856146 262153904 /nfs/dbraw/zinc/15/39/04/262153904.db2.gz KNOGIBFBMWJPSV-HNNXBMFYSA-N 2 2 322.453 0.306 10 0 DCAELP C=CC(=O)NCCC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370856146 262153906 /nfs/dbraw/zinc/15/39/06/262153906.db2.gz KNOGIBFBMWJPSV-HNNXBMFYSA-N 2 2 322.453 0.306 10 0 DCAELP CC(C)(CNC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)[NH+]1CCOCC1 ZINC000333393765 277300734 /nfs/dbraw/zinc/30/07/34/277300734.db2.gz PCRFEQVQKTXKBP-KGLIPLIRSA-N 2 2 310.442 0.348 10 0 DCAELP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000408390181 279218670 /nfs/dbraw/zinc/21/86/70/279218670.db2.gz RSDWJVOPSFXSLX-MNOVXSKESA-N 2 2 305.382 0.592 10 0 DCAELP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000408390181 279218671 /nfs/dbraw/zinc/21/86/71/279218671.db2.gz RSDWJVOPSFXSLX-MNOVXSKESA-N 2 2 305.382 0.592 10 0 DCAELP CC(C)OC(=O)[C@@H]1CCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000549136938 288193061 /nfs/dbraw/zinc/19/30/61/288193061.db2.gz XQDMEFFZGGJAKG-AWEZNQCLSA-N 2 2 311.426 0.567 10 0 DCAELP CC(C)OC(=O)[C@@H]1CCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000549136938 288193069 /nfs/dbraw/zinc/19/30/69/288193069.db2.gz XQDMEFFZGGJAKG-AWEZNQCLSA-N 2 2 311.426 0.567 10 0 DCAELP C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000553049846 288285233 /nfs/dbraw/zinc/28/52/33/288285233.db2.gz NMQUJTLNHKSUMK-UHFFFAOYSA-N 2 2 303.366 0.729 10 0 DCAELP C[NH+](C)C1CC[NH+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000133093154 282051684 /nfs/dbraw/zinc/05/16/84/282051684.db2.gz YWSKSDMBDDFOTK-ZDUSSCGKSA-N 2 2 303.472 0.684 10 0 DCAELP Cn1ccc(N2CCC[C@H]([N@@H+]3CC[C@H]([NH3+])C(C)(C)C3)C2=O)n1 ZINC000261841557 294347982 /nfs/dbraw/zinc/34/79/82/294347982.db2.gz ZUBOFIAMXWHZKG-STQMWFEESA-N 2 2 305.426 0.975 10 0 DCAELP Cn1ccc(N2CCC[C@H]([N@H+]3CC[C@H]([NH3+])C(C)(C)C3)C2=O)n1 ZINC000261841557 294347984 /nfs/dbraw/zinc/34/79/84/294347984.db2.gz ZUBOFIAMXWHZKG-STQMWFEESA-N 2 2 305.426 0.975 10 0 DCAELP C[C@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000170804603 298706273 /nfs/dbraw/zinc/70/62/73/298706273.db2.gz DGXFRZOZPCLKSU-CVEARBPZSA-N 2 2 324.469 0.977 10 0 DCAELP [NH3+][C@@H]1CC[C@H](C(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)C1 ZINC000246581948 527369898 /nfs/dbraw/zinc/36/98/98/527369898.db2.gz VRAKTQPVSCGQTG-BBWFWOEESA-N 2 2 317.433 0.992 10 0 DCAELP O=S(=O)(CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)CC1CC1 ZINC000261964356 661933832 /nfs/dbraw/zinc/93/38/32/661933832.db2.gz PVRNENSPJSUIBL-ZNMIVQPWSA-N 2 2 316.467 0.558 10 0 DCAELP O=C(C[NH2+]C1CC1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000154653425 665158522 /nfs/dbraw/zinc/15/85/22/665158522.db2.gz NSXRYDMMIOEZJS-MRXNPFEDSA-N 2 2 303.406 0.616 10 0 DCAELP C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@H]1c1ccccc1 ZINC000180178026 199126587 /nfs/dbraw/zinc/12/65/87/199126587.db2.gz ZJQXRRCEYUVXMN-OWCLPIDISA-N 2 2 303.406 0.879 10 0 DCAELP C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@H]1c1ccccc1 ZINC000180178026 199126588 /nfs/dbraw/zinc/12/65/88/199126588.db2.gz ZJQXRRCEYUVXMN-OWCLPIDISA-N 2 2 303.406 0.879 10 0 DCAELP C[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H]1c1ccccc1 ZINC000180178026 199126590 /nfs/dbraw/zinc/12/65/90/199126590.db2.gz ZJQXRRCEYUVXMN-OWCLPIDISA-N 2 2 303.406 0.879 10 0 DCAELP C[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H]1c1ccccc1 ZINC000180178026 199126591 /nfs/dbraw/zinc/12/65/91/199126591.db2.gz ZJQXRRCEYUVXMN-OWCLPIDISA-N 2 2 303.406 0.879 10 0 DCAELP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181078361 199249391 /nfs/dbraw/zinc/24/93/91/199249391.db2.gz ASUJYXGQTDEBGJ-CYBMUJFWSA-N 2 2 321.425 0.331 10 0 DCAELP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181078361 199249396 /nfs/dbraw/zinc/24/93/96/199249396.db2.gz ASUJYXGQTDEBGJ-CYBMUJFWSA-N 2 2 321.425 0.331 10 0 DCAELP Cc1nc2cncc(N3CC[NH+](CCn4cc[nH+]c4)CC3)n2n1 ZINC000328637714 291259456 /nfs/dbraw/zinc/25/94/56/291259456.db2.gz OSEUUIHJMMOLFP-UHFFFAOYSA-N 2 2 312.381 0.451 10 0 DCAELP CCNC(=O)CC[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863459 194150453 /nfs/dbraw/zinc/15/04/53/194150453.db2.gz FFGUKWMULLYJAC-UHFFFAOYSA-N 2 2 307.442 0.806 10 0 DCAELP CCNC(=O)CC[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863459 194150454 /nfs/dbraw/zinc/15/04/54/194150454.db2.gz FFGUKWMULLYJAC-UHFFFAOYSA-N 2 2 307.442 0.806 10 0 DCAELP COCC[N@@H+]1CCOCC12CC[NH+](Cc1ccn(C)n1)CC2 ZINC000096074619 285053440 /nfs/dbraw/zinc/05/34/40/285053440.db2.gz ZHTCECMYLCLOOD-UHFFFAOYSA-N 2 2 308.426 0.733 10 0 DCAELP COCC[N@H+]1CCOCC12CC[NH+](Cc1ccn(C)n1)CC2 ZINC000096074619 285053443 /nfs/dbraw/zinc/05/34/43/285053443.db2.gz ZHTCECMYLCLOOD-UHFFFAOYSA-N 2 2 308.426 0.733 10 0 DCAELP C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCCCn3cc[nH+]c3)C[C@@H]21 ZINC000284167610 131055735 /nfs/dbraw/zinc/05/57/35/131055735.db2.gz WVRIDGGHGZTBGB-UONOGXRCSA-N 2 2 307.398 0.388 10 0 DCAELP C[N@H+]1CCO[C@@H]2CCN(C(=O)NCCCn3cc[nH+]c3)C[C@@H]21 ZINC000284167610 131055736 /nfs/dbraw/zinc/05/57/36/131055736.db2.gz WVRIDGGHGZTBGB-UONOGXRCSA-N 2 2 307.398 0.388 10 0 DCAELP COCc1cccc(CNC(=O)C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000193608493 395774037 /nfs/dbraw/zinc/77/40/37/395774037.db2.gz IDRQEYJYMQBRKI-CALCHBBNSA-N 2 2 317.433 0.943 10 0 DCAELP COCc1cccc(CNC(=O)C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000193608493 395774040 /nfs/dbraw/zinc/77/40/40/395774040.db2.gz IDRQEYJYMQBRKI-CALCHBBNSA-N 2 2 317.433 0.943 10 0 DCAELP COCc1cccc(CNC(=O)C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1 ZINC000193608493 395774043 /nfs/dbraw/zinc/77/40/43/395774043.db2.gz IDRQEYJYMQBRKI-CALCHBBNSA-N 2 2 317.433 0.943 10 0 DCAELP COCc1cccc(CNC(=O)C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1 ZINC000193608493 395774046 /nfs/dbraw/zinc/77/40/46/395774046.db2.gz IDRQEYJYMQBRKI-CALCHBBNSA-N 2 2 317.433 0.943 10 0 DCAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H]2CCN(C)C2=O)nc[nH+]1 ZINC000246875478 395960443 /nfs/dbraw/zinc/96/04/43/395960443.db2.gz FRDJJHYAHVAXFR-NEPJUHHUSA-N 2 2 304.398 0.307 10 0 DCAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000247061961 395965672 /nfs/dbraw/zinc/96/56/72/395965672.db2.gz FZEQODPDWBCREW-SJORKVTESA-N 2 2 311.470 0.892 10 0 DCAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000247061961 395965676 /nfs/dbraw/zinc/96/56/76/395965676.db2.gz FZEQODPDWBCREW-SJORKVTESA-N 2 2 311.470 0.892 10 0 DCAELP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)C[NH2+]C2CC2)CC1 ZINC000154681732 396041594 /nfs/dbraw/zinc/04/15/94/396041594.db2.gz OFMPIGSLIPMQNQ-UHFFFAOYSA-N 2 2 305.426 0.433 10 0 DCAELP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000262041099 396093341 /nfs/dbraw/zinc/09/33/41/396093341.db2.gz YNFMXFRSNCVQEO-YYIAUSFCSA-N 3 2 310.486 0.369 10 0 DCAELP C[C@H](C[NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000262390872 396134115 /nfs/dbraw/zinc/13/41/15/396134115.db2.gz OEVBNIYNFBIPLH-UPJWGTAASA-N 2 2 306.410 0.906 10 0 DCAELP O=C([C@H]1CC(F)(F)C[NH2+]1)N1CC[NH+](C2CCOCC2)CC1 ZINC000262914540 396191475 /nfs/dbraw/zinc/19/14/75/396191475.db2.gz GEJWQDQQMAHGHF-GFCCVEGCSA-N 2 2 303.353 0.307 10 0 DCAELP C[C@@H](O)C[N@@H+]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC000183587622 396271924 /nfs/dbraw/zinc/27/19/24/396271924.db2.gz PQOPHMPZXAPMTL-CHWSQXEVSA-N 2 2 306.410 0.675 10 0 DCAELP C[C@@H](O)C[N@H+]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC000183587622 396271926 /nfs/dbraw/zinc/27/19/26/396271926.db2.gz PQOPHMPZXAPMTL-CHWSQXEVSA-N 2 2 306.410 0.675 10 0 DCAELP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282223202 396273714 /nfs/dbraw/zinc/27/37/14/396273714.db2.gz YXEUJCSXDFGHPB-RYUDHWBXSA-N 2 2 319.409 0.982 10 0 DCAELP C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282223202 396273715 /nfs/dbraw/zinc/27/37/15/396273715.db2.gz YXEUJCSXDFGHPB-RYUDHWBXSA-N 2 2 319.409 0.982 10 0 DCAELP Cn1ncc2c1nc(N1CC[C@H](C[NH+]3CCCC3)C1)[nH+]c2N ZINC000293006329 396581604 /nfs/dbraw/zinc/58/16/04/396581604.db2.gz HVWJFYVYARBDSM-LLVKDONJSA-N 2 2 301.398 0.868 10 0 DCAELP c1cc(N2CC[NH+]([C@H]3CCOC3)CC2)nc(N2CCOCC2)[nH+]1 ZINC000376295463 396906984 /nfs/dbraw/zinc/90/69/84/396906984.db2.gz HFUWCPGPWKWAAW-AWEZNQCLSA-N 2 2 319.409 0.224 10 0 DCAELP c1cc(N2CC[C@@H]([NH+]3CCCC3)C2)nc(N2CCOCC2)[nH+]1 ZINC000376829557 396984740 /nfs/dbraw/zinc/98/47/40/396984740.db2.gz UZOCSAWMOVQKIX-CQSZACIVSA-N 2 2 303.410 0.988 10 0 DCAELP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cc[nH]n3)CC2)CC1 ZINC000093143100 158118324 /nfs/dbraw/zinc/11/83/24/158118324.db2.gz WJZMQSVCQOQBLH-UHFFFAOYSA-N 2 2 305.426 0.786 10 0 DCAELP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ncc[nH]3)CC2)CC1 ZINC000111241479 158140636 /nfs/dbraw/zinc/14/06/36/158140636.db2.gz UFQDGKPLTNIKKA-UHFFFAOYSA-N 2 2 305.426 0.786 10 0 DCAELP COc1cc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cc2c1OCCO2 ZINC000131406247 158303384 /nfs/dbraw/zinc/30/33/84/158303384.db2.gz MJEBYLOSFQNUJG-MRXNPFEDSA-N 2 2 310.394 0.869 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](n3cncn3)C2)CC1 ZINC000171615229 158384628 /nfs/dbraw/zinc/38/46/28/158384628.db2.gz GQQKRZHASZOBRD-GJZGRUSLSA-N 2 2 320.441 0.468 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](n3cncn3)C2)CC1 ZINC000171615229 158384630 /nfs/dbraw/zinc/38/46/30/158384630.db2.gz GQQKRZHASZOBRD-GJZGRUSLSA-N 2 2 320.441 0.468 10 0 DCAELP C1=CC[NH+]([C@@H]2CCN(c3cc[nH+]c(N4CCOCC4)n3)C2)C1 ZINC000368311315 159386717 /nfs/dbraw/zinc/38/67/17/159386717.db2.gz YNBFIKKCQJJIQI-CQSZACIVSA-N 2 2 301.394 0.764 10 0 DCAELP C[NH+](C)CC1CCC(NC(=O)NCC[NH+]2CCOCC2)CC1 ZINC000136669547 287026796 /nfs/dbraw/zinc/02/67/96/287026796.db2.gz WEUGKYKMYIQUAZ-UHFFFAOYSA-N 2 2 312.458 0.738 10 0 DCAELP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000177367472 287054617 /nfs/dbraw/zinc/05/46/17/287054617.db2.gz NCWWBTUMDPIYFV-GJZGRUSLSA-N 2 2 312.458 0.833 10 0 DCAELP CC[N@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000177367472 287054619 /nfs/dbraw/zinc/05/46/19/287054619.db2.gz NCWWBTUMDPIYFV-GJZGRUSLSA-N 2 2 312.458 0.833 10 0 DCAELP Cn1cc[nH+]c1N1CCN(c2ncnc3c2C[N@H+](C)CC3)CC1 ZINC000266191246 415136166 /nfs/dbraw/zinc/13/61/66/415136166.db2.gz BQEFYQFVNBXGRO-UHFFFAOYSA-N 2 2 313.409 0.525 10 0 DCAELP Cn1cc[nH+]c1N1CCN(c2ncnc3c2C[N@@H+](C)CC3)CC1 ZINC000266191246 415136175 /nfs/dbraw/zinc/13/61/75/415136175.db2.gz BQEFYQFVNBXGRO-UHFFFAOYSA-N 2 2 313.409 0.525 10 0 DCAELP C[NH+](C)CCC1CCN(C(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000105278804 415629405 /nfs/dbraw/zinc/62/94/05/415629405.db2.gz OSDHDFMTUWFLCK-HNNXBMFYSA-N 2 2 312.458 0.690 10 0 DCAELP C[NH+](C)CCC1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000105278804 415629410 /nfs/dbraw/zinc/62/94/10/415629410.db2.gz OSDHDFMTUWFLCK-HNNXBMFYSA-N 2 2 312.458 0.690 10 0 DCAELP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000333475145 415660819 /nfs/dbraw/zinc/66/08/19/415660819.db2.gz BJLVIYDCNIBEOT-ILXRZTDVSA-N 2 2 310.442 0.491 10 0 DCAELP C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000333817374 415746745 /nfs/dbraw/zinc/74/67/45/415746745.db2.gz KIABCYULEQWBCU-JKSUJKDBSA-N 2 2 324.469 0.881 10 0 DCAELP C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000333817374 415746751 /nfs/dbraw/zinc/74/67/51/415746751.db2.gz KIABCYULEQWBCU-JKSUJKDBSA-N 2 2 324.469 0.881 10 0 DCAELP O=C(NCCCn1cc[nH+]c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173780470 416065358 /nfs/dbraw/zinc/06/53/58/416065358.db2.gz VUEZCRLSMNFHQM-CQSZACIVSA-N 2 2 307.398 0.389 10 0 DCAELP CC[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000171164738 416037569 /nfs/dbraw/zinc/03/75/69/416037569.db2.gz AEVWRZGRAZWPBR-CQSZACIVSA-N 2 2 312.458 0.881 10 0 DCAELP CC[N@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000171164738 416037571 /nfs/dbraw/zinc/03/75/71/416037571.db2.gz AEVWRZGRAZWPBR-CQSZACIVSA-N 2 2 312.458 0.881 10 0 DCAELP CC[NH+]1CCC[C@@H](NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000171164738 416037572 /nfs/dbraw/zinc/03/75/72/416037572.db2.gz AEVWRZGRAZWPBR-CQSZACIVSA-N 2 2 312.458 0.881 10 0 DCAELP CC[NH+]1CCC[C@@H](NC(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000171164738 416037575 /nfs/dbraw/zinc/03/75/75/416037575.db2.gz AEVWRZGRAZWPBR-CQSZACIVSA-N 2 2 312.458 0.881 10 0 DCAELP O=C(NCC[NH+]1CCOCC1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000175601033 416110614 /nfs/dbraw/zinc/11/06/14/416110614.db2.gz ULPSJMOUESJHLZ-CQSZACIVSA-N 2 2 307.398 0.389 10 0 DCAELP C[C@@H](CNC(=O)[C@@H]1CCCn2cc[nH+]c21)C[NH+]1CCN(C)CC1 ZINC000176298957 416123825 /nfs/dbraw/zinc/12/38/25/416123825.db2.gz CWKJCDGZIONOBB-LSDHHAIUSA-N 2 2 319.453 0.760 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000177755230 416150936 /nfs/dbraw/zinc/15/09/36/416150936.db2.gz VWEXPAGIRNGIST-HZPDHXFCSA-N 2 2 308.470 0.709 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC000177755230 416150938 /nfs/dbraw/zinc/15/09/38/416150938.db2.gz VWEXPAGIRNGIST-HZPDHXFCSA-N 2 2 308.470 0.709 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000177755245 416151747 /nfs/dbraw/zinc/15/17/47/416151747.db2.gz VWEXPAGIRNGIST-JKSUJKDBSA-N 2 2 308.470 0.709 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC000177755245 416151750 /nfs/dbraw/zinc/15/17/50/416151750.db2.gz VWEXPAGIRNGIST-JKSUJKDBSA-N 2 2 308.470 0.709 10 0 DCAELP CC[C@H]1CN(C(=O)NCCn2cc[nH+]c2)CC[N@@H+]1C[C@@H](C)O ZINC000181525965 416207471 /nfs/dbraw/zinc/20/74/71/416207471.db2.gz LJIGSFFZMSANEG-KGLIPLIRSA-N 2 2 309.414 0.370 10 0 DCAELP CC[C@H]1CN(C(=O)NCCn2cc[nH+]c2)CC[N@H+]1C[C@@H](C)O ZINC000181525965 416207475 /nfs/dbraw/zinc/20/74/75/416207475.db2.gz LJIGSFFZMSANEG-KGLIPLIRSA-N 2 2 309.414 0.370 10 0 DCAELP C[C@H]1CCC[N@H+](CCNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000246805489 416332205 /nfs/dbraw/zinc/33/22/05/416332205.db2.gz BIELXPUDAVKABF-JKSUJKDBSA-N 2 2 324.469 0.834 10 0 DCAELP C[C@H]1CCC[N@@H+](CCNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000246805489 416332206 /nfs/dbraw/zinc/33/22/06/416332206.db2.gz BIELXPUDAVKABF-JKSUJKDBSA-N 2 2 324.469 0.834 10 0 DCAELP C[N@H+](C[C@H]1CNC(=O)O1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000368751357 416688513 /nfs/dbraw/zinc/68/85/13/416688513.db2.gz SJTPXKDYSFUSPJ-NVXWUHKLSA-N 2 2 319.405 0.664 10 0 DCAELP C[N@@H+](C[C@H]1CNC(=O)O1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000368751357 416688515 /nfs/dbraw/zinc/68/85/15/416688515.db2.gz SJTPXKDYSFUSPJ-NVXWUHKLSA-N 2 2 319.405 0.664 10 0 DCAELP C[NH+](C[C@H]1CNC(=O)O1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000368751357 416688518 /nfs/dbraw/zinc/68/85/18/416688518.db2.gz SJTPXKDYSFUSPJ-NVXWUHKLSA-N 2 2 319.405 0.664 10 0 DCAELP C[NH+](C[C@H]1CNC(=O)O1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000368751357 416688520 /nfs/dbraw/zinc/68/85/20/416688520.db2.gz SJTPXKDYSFUSPJ-NVXWUHKLSA-N 2 2 319.405 0.664 10 0 DCAELP C[C@@]1(C[NH+]2CCN(c3ccc4nncn4n3)CC2)CC[NH2+]C1 ZINC000262097120 279159262 /nfs/dbraw/zinc/15/92/62/279159262.db2.gz VHPCBWFBQBBAMF-OAHLLOKOSA-N 2 2 301.398 0.246 10 0 DCAELP C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)C1CC1 ZINC000553089046 288286559 /nfs/dbraw/zinc/28/65/59/288286559.db2.gz XHGBCWLSNCGMOK-ZDUSSCGKSA-N 2 2 315.377 0.729 10 0 DCAELP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c(OC(F)F)c1 ZINC000262102480 545979635 /nfs/dbraw/zinc/97/96/35/545979635.db2.gz IZIQPGLHXLRAIT-PWSUYJOCSA-N 2 2 302.321 0.967 10 0 DCAELP O=C(NC[C@H]1CCc2[nH+]ccn2C1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897466863 662763104 /nfs/dbraw/zinc/76/31/04/662763104.db2.gz DFWXQLAWGLSRTQ-TZMCWYRMSA-N 2 2 304.394 0.282 10 0 DCAELP CCc1n[nH]cc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732779692 664960610 /nfs/dbraw/zinc/96/06/10/664960610.db2.gz YTLQPVJFNMRBIN-GFCCVEGCSA-N 2 2 305.426 0.870 10 0 DCAELP CCc1n[nH]cc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732779692 664960612 /nfs/dbraw/zinc/96/06/12/664960612.db2.gz YTLQPVJFNMRBIN-GFCCVEGCSA-N 2 2 305.426 0.870 10 0 DCAELP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[C@@H]3OCC[N@@H+](C)[C@H]3C1)C2 ZINC000329748299 282178786 /nfs/dbraw/zinc/17/87/86/282178786.db2.gz ZXCWJGIHPSYZMJ-BPUTZDHNSA-N 2 2 318.421 0.685 10 0 DCAELP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[C@@H]3OCC[N@H+](C)[C@H]3C1)C2 ZINC000329748299 282178789 /nfs/dbraw/zinc/17/87/89/282178789.db2.gz ZXCWJGIHPSYZMJ-BPUTZDHNSA-N 2 2 318.421 0.685 10 0 DCAELP C[NH2+]C[C@H](C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000237312047 290705783 /nfs/dbraw/zinc/70/57/83/290705783.db2.gz BGEKTDVZYZURRA-HNNXBMFYSA-N 3 2 310.486 0.908 10 0 DCAELP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@H](O)CC(F)(F)F)CC1 ZINC000364951090 283321052 /nfs/dbraw/zinc/32/10/52/283321052.db2.gz PYCYZJAKDKWFKK-NEPJUHHUSA-N 2 2 323.359 0.714 10 0 DCAELP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](C[C@H](O)CC(F)(F)F)CC1 ZINC000364951090 283321053 /nfs/dbraw/zinc/32/10/53/283321053.db2.gz PYCYZJAKDKWFKK-NEPJUHHUSA-N 2 2 323.359 0.714 10 0 DCAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000105896408 194161605 /nfs/dbraw/zinc/16/16/05/194161605.db2.gz HFEMTLVXGJIANP-AWEZNQCLSA-N 2 2 306.410 0.941 10 0 DCAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000105896408 194161607 /nfs/dbraw/zinc/16/16/07/194161607.db2.gz HFEMTLVXGJIANP-AWEZNQCLSA-N 2 2 306.410 0.941 10 0 DCAELP CN1CC[C@@H]([N@H+](C)C2CC[NH+](CCn3cccn3)CC2)C1=O ZINC000116398686 395843882 /nfs/dbraw/zinc/84/38/82/395843882.db2.gz GOGJXUQRZMUOAL-OAHLLOKOSA-N 2 2 305.426 0.510 10 0 DCAELP CN1CC[C@@H]([N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)C1=O ZINC000116398686 395843886 /nfs/dbraw/zinc/84/38/86/395843886.db2.gz GOGJXUQRZMUOAL-OAHLLOKOSA-N 2 2 305.426 0.510 10 0 DCAELP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)[C@@H]1COCC[NH2+]1 ZINC000237201077 395906322 /nfs/dbraw/zinc/90/63/22/395906322.db2.gz RTYPLBJZSDRZRX-HNNXBMFYSA-N 2 2 314.389 0.878 10 0 DCAELP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000237427724 395912448 /nfs/dbraw/zinc/91/24/48/395912448.db2.gz NWIQQVHPGRHBFM-RBSFLKMASA-N 2 2 322.453 0.269 10 0 DCAELP C[N@@H+]1CCO[C@@H](CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000245914068 395938521 /nfs/dbraw/zinc/93/85/21/395938521.db2.gz KDOHUCCQEUFAHE-CVEARBPZSA-N 2 2 324.469 0.977 10 0 DCAELP C[N@H+]1CCO[C@@H](CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000245914068 395938522 /nfs/dbraw/zinc/93/85/22/395938522.db2.gz KDOHUCCQEUFAHE-CVEARBPZSA-N 2 2 324.469 0.977 10 0 DCAELP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000246038657 395940091 /nfs/dbraw/zinc/94/00/91/395940091.db2.gz OOMWSMQWMBPCNG-GJZGRUSLSA-N 2 2 312.458 0.690 10 0 DCAELP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000246038657 395940094 /nfs/dbraw/zinc/94/00/94/395940094.db2.gz OOMWSMQWMBPCNG-GJZGRUSLSA-N 2 2 312.458 0.690 10 0 DCAELP C[C@@H]1CCN(C(=O)NC[C@H]2C[N@H+](C)CCO2)C[C@@H]1n1cc[nH+]c1 ZINC000247576665 395976401 /nfs/dbraw/zinc/97/64/01/395976401.db2.gz LRBQRXNNDDUQCB-ILXRZTDVSA-N 2 2 321.425 0.806 10 0 DCAELP C[C@@H]1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)C[C@@H]1n1cc[nH+]c1 ZINC000247576665 395976404 /nfs/dbraw/zinc/97/64/04/395976404.db2.gz LRBQRXNNDDUQCB-ILXRZTDVSA-N 2 2 321.425 0.806 10 0 DCAELP [NH3+]C1(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CCOCC1 ZINC000261758376 396062797 /nfs/dbraw/zinc/06/27/97/396062797.db2.gz FSSZLXYFAFXEBG-UHFFFAOYSA-N 2 2 304.394 0.806 10 0 DCAELP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000262215492 396111531 /nfs/dbraw/zinc/11/15/31/396111531.db2.gz JCOVQEKFVXGLDF-ABAIWWIYSA-N 2 2 309.385 0.880 10 0 DCAELP CCc1ccc(C[NH+]2CCN(C(=O)[C@@H]([NH3+])COC)CC2)s1 ZINC000262228689 396113061 /nfs/dbraw/zinc/11/30/61/396113061.db2.gz GNVNMKTWTKQSOJ-AWEZNQCLSA-N 2 2 311.451 0.928 10 0 DCAELP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000262340435 396126837 /nfs/dbraw/zinc/12/68/37/396126837.db2.gz SYWMEQOQCYEUET-SCZZXKLOSA-N 2 2 306.288 0.439 10 0 DCAELP CN1CCN(c2cc(N3CC[NH+](C4CC4)CC3)nc[nH+]2)CC1=O ZINC000185951733 396337729 /nfs/dbraw/zinc/33/77/29/396337729.db2.gz DTIRTOILPAGTLE-UHFFFAOYSA-N 2 2 316.409 0.039 10 0 DCAELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000188938059 396389151 /nfs/dbraw/zinc/38/91/51/396389151.db2.gz MPGFUNJHZRVXBK-VXGBXAGGSA-N 2 2 303.410 0.754 10 0 DCAELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000188938059 396389153 /nfs/dbraw/zinc/38/91/53/396389153.db2.gz MPGFUNJHZRVXBK-VXGBXAGGSA-N 2 2 303.410 0.754 10 0 DCAELP c1nc(N2CC[N@@H+]3CCOC[C@H]3C2)cc(N2CCCCC2)[nH+]1 ZINC000371807399 396477272 /nfs/dbraw/zinc/47/72/72/396477272.db2.gz AOSKULHNEXUIFF-CQSZACIVSA-N 2 2 303.410 0.988 10 0 DCAELP c1nc(N2CC[N@H+]3CCOC[C@H]3C2)cc(N2CCCCC2)[nH+]1 ZINC000371807399 396477274 /nfs/dbraw/zinc/47/72/74/396477274.db2.gz AOSKULHNEXUIFF-CQSZACIVSA-N 2 2 303.410 0.988 10 0 DCAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[NH+](CCO)CC1)C2 ZINC000372465998 396519659 /nfs/dbraw/zinc/51/96/59/396519659.db2.gz OOBFNJNTHLRROA-CYBMUJFWSA-N 2 2 320.437 0.775 10 0 DCAELP O=C(N[C@H]1CCn2cc[nH+]c2C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000333001469 396914165 /nfs/dbraw/zinc/91/41/65/396914165.db2.gz MPARLSYPLOKONF-KBPBESRZSA-N 2 2 301.394 0.854 10 0 DCAELP Cc1cccn2cc(CC(=O)NC[C@@H]3C[NH2+]CCCO3)[nH+]c12 ZINC000579014099 397516295 /nfs/dbraw/zinc/51/62/95/397516295.db2.gz NJCRZZKVGOQIKP-AWEZNQCLSA-N 2 2 302.378 0.680 10 0 DCAELP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000077793225 158070515 /nfs/dbraw/zinc/07/05/15/158070515.db2.gz OCIXIQUATQUTTN-KGLIPLIRSA-N 2 2 300.447 0.737 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](c3cnn(C)c3)C2)CC1 ZINC000172056589 158390335 /nfs/dbraw/zinc/39/03/35/158390335.db2.gz UGKBMHLCTGQRIN-CABCVRRESA-N 2 2 319.453 0.762 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](c3cnn(C)c3)C2)CC1 ZINC000172056589 158390336 /nfs/dbraw/zinc/39/03/36/158390336.db2.gz UGKBMHLCTGQRIN-CABCVRRESA-N 2 2 319.453 0.762 10 0 DCAELP C[C@@H]1C[N@@H+](C2CC[NH+](C[C@@H](O)Cn3cccn3)CC2)CCO1 ZINC000328680449 159020285 /nfs/dbraw/zinc/02/02/85/159020285.db2.gz UOYFLBJWNWLAJF-GDBMZVCRSA-N 2 2 308.426 0.429 10 0 DCAELP C[C@@H]1C[N@H+](C2CC[NH+](C[C@@H](O)Cn3cccn3)CC2)CCO1 ZINC000328680449 159020286 /nfs/dbraw/zinc/02/02/86/159020286.db2.gz UOYFLBJWNWLAJF-GDBMZVCRSA-N 2 2 308.426 0.429 10 0 DCAELP C[NH+](C)C1CCN(S(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000408240232 160067060 /nfs/dbraw/zinc/06/70/60/160067060.db2.gz BNFSXSUJRWFRCI-UHFFFAOYSA-N 2 2 319.471 0.065 10 0 DCAELP CO[C@H]1C[C@@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)[N@H+](C)C1 ZINC000343295445 415540249 /nfs/dbraw/zinc/54/02/49/415540249.db2.gz KMUOPHKSPXZOTN-KBPBESRZSA-N 2 2 304.394 0.449 10 0 DCAELP CO[C@H]1C[C@@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)[N@@H+](C)C1 ZINC000343295445 415540257 /nfs/dbraw/zinc/54/02/57/415540257.db2.gz KMUOPHKSPXZOTN-KBPBESRZSA-N 2 2 304.394 0.449 10 0 DCAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCNS(C)(=O)=O)C1 ZINC000107304839 415665255 /nfs/dbraw/zinc/66/52/55/415665255.db2.gz GFLALNTUWHXBFD-LBPRGKRZSA-N 2 2 300.428 0.632 10 0 DCAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000107304839 415665260 /nfs/dbraw/zinc/66/52/60/415665260.db2.gz GFLALNTUWHXBFD-LBPRGKRZSA-N 2 2 300.428 0.632 10 0 DCAELP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000333690236 415715546 /nfs/dbraw/zinc/71/55/46/415715546.db2.gz PRGBOQZBUSVPTA-VNQPRFMTSA-N 2 2 324.469 0.737 10 0 DCAELP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000333690236 415715556 /nfs/dbraw/zinc/71/55/56/415715556.db2.gz PRGBOQZBUSVPTA-VNQPRFMTSA-N 2 2 324.469 0.737 10 0 DCAELP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000333817371 415744603 /nfs/dbraw/zinc/74/46/03/415744603.db2.gz KIABCYULEQWBCU-CVEARBPZSA-N 2 2 324.469 0.881 10 0 DCAELP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000333817371 415744611 /nfs/dbraw/zinc/74/46/11/415744611.db2.gz KIABCYULEQWBCU-CVEARBPZSA-N 2 2 324.469 0.881 10 0 DCAELP CC(C)[C@@H](CNC(=O)N1CC[NH2+]C[C@H]1C)N1CC[NH+](C)CC1 ZINC000333887519 415758836 /nfs/dbraw/zinc/75/88/36/415758836.db2.gz GDWUZYPIPHFXFD-HUUCEWRRSA-N 2 2 311.474 0.262 10 0 DCAELP CC[N@@H+]1CC[C@H](NC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)C1 ZINC000334117481 415809397 /nfs/dbraw/zinc/80/93/97/415809397.db2.gz IJBCDWBLLJZVJJ-KBPBESRZSA-N 2 2 320.441 0.512 10 0 DCAELP CC[N@H+]1CC[C@H](NC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)C1 ZINC000334117481 415809404 /nfs/dbraw/zinc/80/94/04/415809404.db2.gz IJBCDWBLLJZVJJ-KBPBESRZSA-N 2 2 320.441 0.512 10 0 DCAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)N(C)Cc2cnn(C)c2)CC[N@@H+]1C ZINC000172844089 416048807 /nfs/dbraw/zinc/04/88/07/416048807.db2.gz GNTYMMGMINUREO-ZFWWWQNUSA-N 2 2 307.442 0.793 10 0 DCAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)N(C)Cc2cnn(C)c2)CC[N@H+]1C ZINC000172844089 416048811 /nfs/dbraw/zinc/04/88/11/416048811.db2.gz GNTYMMGMINUREO-ZFWWWQNUSA-N 2 2 307.442 0.793 10 0 DCAELP C[C@H]1C[C@@H]([N@H+](C)CC(=O)N(C)Cc2cnn(C)c2)CC[NH+]1C ZINC000172844089 416048814 /nfs/dbraw/zinc/04/88/14/416048814.db2.gz GNTYMMGMINUREO-ZFWWWQNUSA-N 2 2 307.442 0.793 10 0 DCAELP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)N(C)Cc2cnn(C)c2)CC[NH+]1C ZINC000172844089 416048818 /nfs/dbraw/zinc/04/88/18/416048818.db2.gz GNTYMMGMINUREO-ZFWWWQNUSA-N 2 2 307.442 0.793 10 0 DCAELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000173865071 416068473 /nfs/dbraw/zinc/06/84/73/416068473.db2.gz QIMAKTPBFBSKMT-ARFHVFGLSA-N 2 2 324.469 0.975 10 0 DCAELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000173865071 416068475 /nfs/dbraw/zinc/06/84/75/416068475.db2.gz QIMAKTPBFBSKMT-ARFHVFGLSA-N 2 2 324.469 0.975 10 0 DCAELP C[C@H](CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)[NH+]1CCOCC1 ZINC000174157426 416074408 /nfs/dbraw/zinc/07/44/08/416074408.db2.gz QZNPXNWCYCYMKJ-HZPDHXFCSA-N 2 2 324.469 0.834 10 0 DCAELP O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)[C@@]1(F)CC[NH2+]C1 ZINC000163869153 416016567 /nfs/dbraw/zinc/01/65/67/416016567.db2.gz GWGLHKQAGIMMJZ-DOTOQJQBSA-N 2 2 321.396 0.878 10 0 DCAELP C[C@H]1CN(C(=O)c2ccc(C[NH3+])cc2)C[C@H]1[NH+]1CCOCC1 ZINC000178861259 416173919 /nfs/dbraw/zinc/17/39/19/416173919.db2.gz KWZIEQZFPCELOR-XJKSGUPXSA-N 2 2 303.406 0.938 10 0 DCAELP O=S(=O)([C@H]1CC[N@H+](CCCn2cc[nH+]c2)C1)N1CCCC1 ZINC000182866424 416233384 /nfs/dbraw/zinc/23/33/84/416233384.db2.gz AVJKGPSORYSKSG-AWEZNQCLSA-N 2 2 312.439 0.773 10 0 DCAELP O=S(=O)([C@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1)N1CCCC1 ZINC000182866424 416233387 /nfs/dbraw/zinc/23/33/87/416233387.db2.gz AVJKGPSORYSKSG-AWEZNQCLSA-N 2 2 312.439 0.773 10 0 DCAELP CN(C)c1cc[nH+]cc1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000183527480 416243143 /nfs/dbraw/zinc/24/31/43/416243143.db2.gz QSQJJLFLMFJHTO-UHFFFAOYSA-N 2 2 306.410 0.988 10 0 DCAELP CN(C)c1cc[nH+]cc1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000183527480 416243146 /nfs/dbraw/zinc/24/31/46/416243146.db2.gz QSQJJLFLMFJHTO-UHFFFAOYSA-N 2 2 306.410 0.988 10 0 DCAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000247193472 416332559 /nfs/dbraw/zinc/33/25/59/416332559.db2.gz OHLARWMNSWCVAV-HOTGVXAUSA-N 2 2 322.453 0.776 10 0 DCAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000247193472 416332560 /nfs/dbraw/zinc/33/25/60/416332560.db2.gz OHLARWMNSWCVAV-HOTGVXAUSA-N 2 2 322.453 0.776 10 0 DCAELP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000263286127 416337592 /nfs/dbraw/zinc/33/75/92/416337592.db2.gz UZXMSVXSRCDKPG-ZDUSSCGKSA-N 2 2 317.380 0.554 10 0 DCAELP C(C[NH+]1CCOCC1)N1CCC([NH2+][C@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000624221761 416985069 /nfs/dbraw/zinc/98/50/69/416985069.db2.gz HOOSDDQQJUAGTN-QZTJIDSGSA-N 2 2 323.481 0.940 10 0 DCAELP C(C[NH+]1CCC([NH2+][C@H]2CO[C@@H](C3CC3)C2)CC1)N1CCOCC1 ZINC000624221761 416985076 /nfs/dbraw/zinc/98/50/76/416985076.db2.gz HOOSDDQQJUAGTN-QZTJIDSGSA-N 2 2 323.481 0.940 10 0 DCAELP c1cc(C[NH+]2CCN(c3nccnn3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000628389636 417615932 /nfs/dbraw/zinc/61/59/32/417615932.db2.gz RSGHPRITQOHFIF-UHFFFAOYSA-N 2 2 322.376 0.775 10 0 DCAELP COC(=O)[C@@](C)(O)C[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000580477851 417705545 /nfs/dbraw/zinc/70/55/45/417705545.db2.gz GHNVEZPAETUUIT-WBMJQRKESA-N 2 2 307.394 0.933 10 0 DCAELP COC(=O)[C@@](C)(O)C[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000580477851 417705549 /nfs/dbraw/zinc/70/55/49/417705549.db2.gz GHNVEZPAETUUIT-WBMJQRKESA-N 2 2 307.394 0.933 10 0 DCAELP c1cc(N2CC([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)C2)ncn1 ZINC000631748260 417933054 /nfs/dbraw/zinc/93/30/54/417933054.db2.gz AOIZKZYWNPSNMR-HNNXBMFYSA-N 2 2 303.410 0.508 10 0 DCAELP O=C(NCCNc1cc[nH+]cc1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000535256570 287831132 /nfs/dbraw/zinc/83/11/32/287831132.db2.gz BBZNJCNUUPFARS-UHFFFAOYSA-N 2 2 309.333 0.321 10 0 DCAELP CCN(CC)C(=O)C[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000261771342 276089511 /nfs/dbraw/zinc/08/95/11/276089511.db2.gz OKLLPVNGZGYYPQ-HUUCEWRRSA-N 2 2 324.469 0.374 10 0 DCAELP C[C@H](C(=O)N(CC[NH3+])CCc1ccccc1)[NH+]1CCOCC1 ZINC000261777828 278135486 /nfs/dbraw/zinc/13/54/86/278135486.db2.gz SAKHGSOFQFEYCO-OAHLLOKOSA-N 2 2 305.422 0.737 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000249041242 279346581 /nfs/dbraw/zinc/34/65/81/279346581.db2.gz VCXFGBOURLARPF-HOCLYGCPSA-N 2 2 311.426 0.030 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000249041242 279346582 /nfs/dbraw/zinc/34/65/82/279346582.db2.gz VCXFGBOURLARPF-HOCLYGCPSA-N 2 2 311.426 0.030 10 0 DCAELP C[C@H](CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)[NH+]1CCCC1 ZINC000552703283 288279226 /nfs/dbraw/zinc/27/92/26/288279226.db2.gz RGNITBDCEXHXKT-GFCCVEGCSA-N 2 2 315.377 0.873 10 0 DCAELP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H]1c1ccccc1 ZINC000248145003 290211347 /nfs/dbraw/zinc/21/13/47/290211347.db2.gz ZJQXRRCEYUVXMN-JYJNAYRXSA-N 2 2 303.406 0.879 10 0 DCAELP C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H]1c1ccccc1 ZINC000248145003 290211351 /nfs/dbraw/zinc/21/13/51/290211351.db2.gz ZJQXRRCEYUVXMN-JYJNAYRXSA-N 2 2 303.406 0.879 10 0 DCAELP C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H]1c1ccccc1 ZINC000248145003 290211353 /nfs/dbraw/zinc/21/13/53/290211353.db2.gz ZJQXRRCEYUVXMN-JYJNAYRXSA-N 2 2 303.406 0.879 10 0 DCAELP C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H]1c1ccccc1 ZINC000248145003 290211354 /nfs/dbraw/zinc/21/13/54/290211354.db2.gz ZJQXRRCEYUVXMN-JYJNAYRXSA-N 2 2 303.406 0.879 10 0 DCAELP C[NH+](C)Cc1csc(CNS(=O)(=O)[C@H]2CCC[NH2+]C2)n1 ZINC000722384176 661094510 /nfs/dbraw/zinc/09/45/10/661094510.db2.gz VGMGWEKZJUXTJO-NSHDSACASA-N 2 2 318.468 0.376 10 0 DCAELP C[C@H](NC(=O)N1CCC[N@@H+](C2CC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000171715931 299091933 /nfs/dbraw/zinc/09/19/33/299091933.db2.gz UIEGYGIUWNVCEE-GJZGRUSLSA-N 2 2 324.469 0.975 10 0 DCAELP C[C@H](NC(=O)N1CCC[N@H+](C2CC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000171715931 299091939 /nfs/dbraw/zinc/09/19/39/299091939.db2.gz UIEGYGIUWNVCEE-GJZGRUSLSA-N 2 2 324.469 0.975 10 0 DCAELP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000174658840 198366647 /nfs/dbraw/zinc/36/66/47/198366647.db2.gz LFGOEGOWHVJFFX-ZIAGYGMSSA-N 2 2 306.410 0.940 10 0 DCAELP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000174658840 198366649 /nfs/dbraw/zinc/36/66/49/198366649.db2.gz LFGOEGOWHVJFFX-ZIAGYGMSSA-N 2 2 306.410 0.940 10 0 DCAELP C[C@]1(C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)CC[NH2+]C1 ZINC000261910217 291380449 /nfs/dbraw/zinc/38/04/49/291380449.db2.gz YCQIZIBFKFYUNU-KBPBESRZSA-N 2 2 301.456 0.486 10 0 DCAELP C[C@]1(C[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)CC[NH2+]C1 ZINC000261910217 291380452 /nfs/dbraw/zinc/38/04/52/291380452.db2.gz YCQIZIBFKFYUNU-KBPBESRZSA-N 2 2 301.456 0.486 10 0 DCAELP C[N@@H+]1CCO[C@H](CNC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000104799680 194041047 /nfs/dbraw/zinc/04/10/47/194041047.db2.gz XTIKMMQZIJNODK-CQSZACIVSA-N 2 2 319.409 0.244 10 0 DCAELP C[N@H+]1CCO[C@H](CNC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000104799680 194041050 /nfs/dbraw/zinc/04/10/50/194041050.db2.gz XTIKMMQZIJNODK-CQSZACIVSA-N 2 2 319.409 0.244 10 0 DCAELP CCCC[NH+]1CCC(NC(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000105217133 194086695 /nfs/dbraw/zinc/08/66/95/194086695.db2.gz MOQYZNXHGQHWIA-HNNXBMFYSA-N 2 2 312.458 0.881 10 0 DCAELP CCCC[NH+]1CCC(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000105217133 194086696 /nfs/dbraw/zinc/08/66/96/194086696.db2.gz MOQYZNXHGQHWIA-HNNXBMFYSA-N 2 2 312.458 0.881 10 0 DCAELP COC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000262257260 285385456 /nfs/dbraw/zinc/38/54/56/285385456.db2.gz JCQCUCFUYLPUPI-BFHYXJOUSA-N 2 2 313.348 0.800 10 0 DCAELP COC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000262257260 285385458 /nfs/dbraw/zinc/38/54/58/285385458.db2.gz JCQCUCFUYLPUPI-BFHYXJOUSA-N 2 2 313.348 0.800 10 0 DCAELP C[C@H](C[NH+]1CCOCC1)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000091559230 395726030 /nfs/dbraw/zinc/72/60/30/395726030.db2.gz YFHNYBORARDDPG-QZTJIDSGSA-N 2 2 324.513 0.809 10 0 DCAELP C[C@H](C[NH+]1CCOCC1)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000091559230 395726031 /nfs/dbraw/zinc/72/60/31/395726031.db2.gz YFHNYBORARDDPG-QZTJIDSGSA-N 2 2 324.513 0.809 10 0 DCAELP Cc1cccc(NC[C@H]2CC[N@H+](CCNS(C)(=O)=O)C2)[nH+]1 ZINC000107300343 395785479 /nfs/dbraw/zinc/78/54/79/395785479.db2.gz RMJDIDSGYFHZMS-CYBMUJFWSA-N 2 2 312.439 0.673 10 0 DCAELP Cc1cccc(NC[C@H]2CC[N@@H+](CCNS(C)(=O)=O)C2)[nH+]1 ZINC000107300343 395785483 /nfs/dbraw/zinc/78/54/83/395785483.db2.gz RMJDIDSGYFHZMS-CYBMUJFWSA-N 2 2 312.439 0.673 10 0 DCAELP C[N@H+]1C[C@@H]2C[NH+](CCNS(=O)(=O)c3ccccc3)C[C@@H]2C1 ZINC000193612367 395773963 /nfs/dbraw/zinc/77/39/63/395773963.db2.gz LYZOEEKDRPMZLZ-OKILXGFUSA-N 2 2 309.435 0.458 10 0 DCAELP C[N@@H+]1C[C@@H]2C[NH+](CCNS(=O)(=O)c3ccccc3)C[C@@H]2C1 ZINC000193612367 395773965 /nfs/dbraw/zinc/77/39/65/395773965.db2.gz LYZOEEKDRPMZLZ-OKILXGFUSA-N 2 2 309.435 0.458 10 0 DCAELP C[NH+]1C[C@@H]2C[N@@H+](CCNS(=O)(=O)c3ccccc3)C[C@@H]2C1 ZINC000193612367 395773968 /nfs/dbraw/zinc/77/39/68/395773968.db2.gz LYZOEEKDRPMZLZ-OKILXGFUSA-N 2 2 309.435 0.458 10 0 DCAELP C[NH+]1C[C@@H]2C[N@H+](CCNS(=O)(=O)c3ccccc3)C[C@@H]2C1 ZINC000193612367 395773969 /nfs/dbraw/zinc/77/39/69/395773969.db2.gz LYZOEEKDRPMZLZ-OKILXGFUSA-N 2 2 309.435 0.458 10 0 DCAELP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193651078 395775371 /nfs/dbraw/zinc/77/53/71/395775371.db2.gz WSVXXVCRFMEJGN-APIJFGDWSA-N 2 2 322.453 0.884 10 0 DCAELP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193651078 395775373 /nfs/dbraw/zinc/77/53/73/395775373.db2.gz WSVXXVCRFMEJGN-APIJFGDWSA-N 2 2 322.453 0.884 10 0 DCAELP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193651078 395775375 /nfs/dbraw/zinc/77/53/75/395775375.db2.gz WSVXXVCRFMEJGN-APIJFGDWSA-N 2 2 322.453 0.884 10 0 DCAELP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193651078 395775377 /nfs/dbraw/zinc/77/53/77/395775377.db2.gz WSVXXVCRFMEJGN-APIJFGDWSA-N 2 2 322.453 0.884 10 0 DCAELP CCc1nnc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)n1C ZINC000195431618 395827148 /nfs/dbraw/zinc/82/71/48/395827148.db2.gz QZGWCKFRYLQRCB-UHFFFAOYSA-N 2 2 307.442 0.922 10 0 DCAELP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)N1CCNC1=O ZINC000195515759 395830388 /nfs/dbraw/zinc/83/03/88/395830388.db2.gz ONZZMOKXMVXHIZ-LBPRGKRZSA-N 2 2 303.366 0.367 10 0 DCAELP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)N1CCNC1=O ZINC000195515759 395830393 /nfs/dbraw/zinc/83/03/93/395830393.db2.gz ONZZMOKXMVXHIZ-LBPRGKRZSA-N 2 2 303.366 0.367 10 0 DCAELP C[NH+](C)C[C@H]1CN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)CCO1 ZINC000116789296 395846094 /nfs/dbraw/zinc/84/60/94/395846094.db2.gz NGHIDPSQUBVIAU-AWEZNQCLSA-N 2 2 315.377 0.670 10 0 DCAELP C[C@]([NH3+])(C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC000237659093 395917831 /nfs/dbraw/zinc/91/78/31/395917831.db2.gz RLMXRFMCLOOUBJ-DOTOQJQBSA-N 2 2 303.406 0.794 10 0 DCAELP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000245676758 395934025 /nfs/dbraw/zinc/93/40/25/395934025.db2.gz FYPYEFNDAFBXHU-GJZGRUSLSA-N 2 2 312.458 0.690 10 0 DCAELP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000245676758 395934029 /nfs/dbraw/zinc/93/40/29/395934029.db2.gz FYPYEFNDAFBXHU-GJZGRUSLSA-N 2 2 312.458 0.690 10 0 DCAELP CCC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000245676758 395934034 /nfs/dbraw/zinc/93/40/34/395934034.db2.gz FYPYEFNDAFBXHU-GJZGRUSLSA-N 2 2 312.458 0.690 10 0 DCAELP CCC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000245676758 395934037 /nfs/dbraw/zinc/93/40/37/395934037.db2.gz FYPYEFNDAFBXHU-GJZGRUSLSA-N 2 2 312.458 0.690 10 0 DCAELP CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000246473117 395951026 /nfs/dbraw/zinc/95/10/26/395951026.db2.gz QUPBFJKTUJAACL-KKUMJFAQSA-N 2 2 312.458 0.879 10 0 DCAELP CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000246473117 395951030 /nfs/dbraw/zinc/95/10/30/395951030.db2.gz QUPBFJKTUJAACL-KKUMJFAQSA-N 2 2 312.458 0.879 10 0 DCAELP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000246983051 395963110 /nfs/dbraw/zinc/96/31/10/395963110.db2.gz MSTBYJRBLKSZJR-JKSUJKDBSA-N 2 2 324.469 0.834 10 0 DCAELP CCC[N@H+]1CC[C@@H](CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000246983051 395963111 /nfs/dbraw/zinc/96/31/11/395963111.db2.gz MSTBYJRBLKSZJR-JKSUJKDBSA-N 2 2 324.469 0.834 10 0 DCAELP C[C@H]([C@H](C)NC(=O)N1CC[N@@H+]2CCC[C@H]2C1)[NH+]1CCOCC1 ZINC000247222208 395969912 /nfs/dbraw/zinc/96/99/12/395969912.db2.gz CBDGAWAJWLKPRG-ZNMIVQPWSA-N 2 2 310.442 0.585 10 0 DCAELP C[C@H]([C@H](C)NC(=O)N1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCOCC1 ZINC000247222208 395969914 /nfs/dbraw/zinc/96/99/14/395969914.db2.gz CBDGAWAJWLKPRG-ZNMIVQPWSA-N 2 2 310.442 0.585 10 0 DCAELP C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000261852849 396072559 /nfs/dbraw/zinc/07/25/59/396072559.db2.gz DPTUROHYJHZSFW-ZIAGYGMSSA-N 2 2 310.442 0.045 10 0 DCAELP C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000261852849 396072561 /nfs/dbraw/zinc/07/25/61/396072561.db2.gz DPTUROHYJHZSFW-ZIAGYGMSSA-N 2 2 310.442 0.045 10 0 DCAELP CC[NH+]1CCN(CC(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)CC1 ZINC000261691689 396057110 /nfs/dbraw/zinc/05/71/10/396057110.db2.gz JAOHHJVLOVKDPV-MRXNPFEDSA-N 2 2 317.437 0.192 10 0 DCAELP C[C@@H](c1nnnn1C)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000249261862 396004684 /nfs/dbraw/zinc/00/46/84/396004684.db2.gz IADWZPJFXHDJTH-UONOGXRCSA-N 2 2 307.446 0.373 10 0 DCAELP C[C@@H](c1nnnn1C)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000249261862 396004685 /nfs/dbraw/zinc/00/46/85/396004685.db2.gz IADWZPJFXHDJTH-UONOGXRCSA-N 2 2 307.446 0.373 10 0 DCAELP CCN(CC)C(=O)C[NH+]1CCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000262430614 396139177 /nfs/dbraw/zinc/13/91/77/396139177.db2.gz RPQUMKZHDQRXQH-GJZGRUSLSA-N 2 2 324.469 0.387 10 0 DCAELP Cn1ncc2c1ncnc2N1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261890446 396076778 /nfs/dbraw/zinc/07/67/78/396076778.db2.gz SYFOPHMHVSIIKR-MRXNPFEDSA-N 2 2 315.425 0.485 10 0 DCAELP CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000177192434 396169255 /nfs/dbraw/zinc/16/92/55/396169255.db2.gz WEQQDQVAGXRMHW-CYBMUJFWSA-N 2 2 321.406 0.391 10 0 DCAELP CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000177192434 396169257 /nfs/dbraw/zinc/16/92/57/396169257.db2.gz WEQQDQVAGXRMHW-CYBMUJFWSA-N 2 2 321.406 0.391 10 0 DCAELP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[NH+](C2CCOCC2)CC1 ZINC000262914543 396191406 /nfs/dbraw/zinc/19/14/06/396191406.db2.gz GEJWQDQQMAHGHF-LBPRGKRZSA-N 2 2 303.353 0.307 10 0 DCAELP COc1cccc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c1OC(F)F ZINC000263171391 396204514 /nfs/dbraw/zinc/20/45/14/396204514.db2.gz FUKKKDUCXKYZSB-WDEREUQCSA-N 2 2 302.321 0.967 10 0 DCAELP CN(C(=O)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)C1CC1 ZINC000109753473 158138444 /nfs/dbraw/zinc/13/84/44/158138444.db2.gz FIERNPGUNAUPBE-INIZCTEOSA-N 2 2 308.470 0.709 10 0 DCAELP CN(C(=O)C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)C1CC1 ZINC000109753473 158138446 /nfs/dbraw/zinc/13/84/46/158138446.db2.gz FIERNPGUNAUPBE-INIZCTEOSA-N 2 2 308.470 0.709 10 0 DCAELP C[C@@H](NC(=O)NC[C@@H]1C[N@H+](C)CCO1)C(C)(C)C[NH+](C)C ZINC000119443995 158187197 /nfs/dbraw/zinc/18/71/97/158187197.db2.gz ZORWKUHEUQGPPU-CHWSQXEVSA-N 2 2 300.447 0.593 10 0 DCAELP C[C@@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCO1)C(C)(C)C[NH+](C)C ZINC000119443995 158187198 /nfs/dbraw/zinc/18/71/98/158187198.db2.gz ZORWKUHEUQGPPU-CHWSQXEVSA-N 2 2 300.447 0.593 10 0 DCAELP C[NH+](C)Cc1cnc(C[NH2+][C@H]2COC[C@H]2n2ccnn2)s1 ZINC000329698062 159112745 /nfs/dbraw/zinc/11/27/45/159112745.db2.gz YSNFSVSGHUKXOZ-NWDGAFQWSA-N 2 2 308.411 0.526 10 0 DCAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N2CCC[C@@H](C(N)=O)C2)CC[N@@H+]1C ZINC000246982912 287090004 /nfs/dbraw/zinc/09/00/04/287090004.db2.gz SKDCLVLCEZEELB-MCIONIFRSA-N 2 2 310.442 0.125 10 0 DCAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N2CCC[C@@H](C(N)=O)C2)CC[N@H+]1C ZINC000246982912 287090005 /nfs/dbraw/zinc/09/00/05/287090005.db2.gz SKDCLVLCEZEELB-MCIONIFRSA-N 2 2 310.442 0.125 10 0 DCAELP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)N2CCC[C@@H](C(N)=O)C2)CC[NH+]1C ZINC000246982912 287090006 /nfs/dbraw/zinc/09/00/06/287090006.db2.gz SKDCLVLCEZEELB-MCIONIFRSA-N 2 2 310.442 0.125 10 0 DCAELP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)N2CCC[C@@H](C(N)=O)C2)CC[NH+]1C ZINC000246982912 287090008 /nfs/dbraw/zinc/09/00/08/287090008.db2.gz SKDCLVLCEZEELB-MCIONIFRSA-N 2 2 310.442 0.125 10 0 DCAELP c1cc(N2CC[NH+](C3CCC3)CC2)nc(N2CCOCC2)[nH+]1 ZINC000352358694 415145006 /nfs/dbraw/zinc/14/50/06/415145006.db2.gz WQDUHMACMNMVQN-UHFFFAOYSA-N 2 2 303.410 0.988 10 0 DCAELP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000079252223 415472259 /nfs/dbraw/zinc/47/22/59/415472259.db2.gz IPZOGTYZRXDITI-HUUCEWRRSA-N 2 2 314.474 0.983 10 0 DCAELP C[C@@H]1CC[NH2+]C[C@@H]1Nc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000333910141 415764575 /nfs/dbraw/zinc/76/45/75/415764575.db2.gz LBUHPGSEWRNVQE-NEPJUHHUSA-N 2 2 304.398 0.165 10 0 DCAELP C[C@H]1C[C@H]([NH+](C)CC(=O)N(C)Cc2cnn(C)c2)CC[N@@H+]1C ZINC000172844079 416049244 /nfs/dbraw/zinc/04/92/44/416049244.db2.gz GNTYMMGMINUREO-DZGCQCFKSA-N 2 2 307.442 0.793 10 0 DCAELP C[C@H]1C[C@H]([NH+](C)CC(=O)N(C)Cc2cnn(C)c2)CC[N@H+]1C ZINC000172844079 416049248 /nfs/dbraw/zinc/04/92/48/416049248.db2.gz GNTYMMGMINUREO-DZGCQCFKSA-N 2 2 307.442 0.793 10 0 DCAELP C[C@H]1C[C@H]([N@H+](C)CC(=O)N(C)Cc2cnn(C)c2)CC[NH+]1C ZINC000172844079 416049251 /nfs/dbraw/zinc/04/92/51/416049251.db2.gz GNTYMMGMINUREO-DZGCQCFKSA-N 2 2 307.442 0.793 10 0 DCAELP C[C@H]1C[C@H]([N@@H+](C)CC(=O)N(C)Cc2cnn(C)c2)CC[NH+]1C ZINC000172844079 416049255 /nfs/dbraw/zinc/04/92/55/416049255.db2.gz GNTYMMGMINUREO-DZGCQCFKSA-N 2 2 307.442 0.793 10 0 DCAELP C[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCOCC1 ZINC000173827023 416065971 /nfs/dbraw/zinc/06/59/71/416065971.db2.gz GJILAHIAUFFAIV-KFWWJZLASA-N 2 2 312.458 0.831 10 0 DCAELP C[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCOCC1 ZINC000173827023 416065974 /nfs/dbraw/zinc/06/59/74/416065974.db2.gz GJILAHIAUFFAIV-KFWWJZLASA-N 2 2 312.458 0.831 10 0 DCAELP Cc1[nH+]ccn1CCCCNC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000175001236 416094865 /nfs/dbraw/zinc/09/48/65/416094865.db2.gz TVXYNIXOABIMHH-CQSZACIVSA-N 2 2 323.441 0.992 10 0 DCAELP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H]2CCCn3cc[nH+]c32)CC1 ZINC000175152936 416096837 /nfs/dbraw/zinc/09/68/37/416096837.db2.gz PSGTUWOJBSICAA-GJZGRUSLSA-N 2 2 319.453 0.903 10 0 DCAELP COCC[N@H+](C)CCNC(=O)NCc1[nH+]ccn1CC(C)C ZINC000176439575 416125971 /nfs/dbraw/zinc/12/59/71/416125971.db2.gz ZAYULVIQXFUFDA-UHFFFAOYSA-N 2 2 311.430 0.917 10 0 DCAELP COCC[N@@H+](C)CCNC(=O)NCc1[nH+]ccn1CC(C)C ZINC000176439575 416125973 /nfs/dbraw/zinc/12/59/73/416125973.db2.gz ZAYULVIQXFUFDA-UHFFFAOYSA-N 2 2 311.430 0.917 10 0 DCAELP COCC[N@@H+](C)CCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177486468 416145486 /nfs/dbraw/zinc/14/54/86/416145486.db2.gz FHTSVNWKQQFNLT-CQSZACIVSA-N 2 2 309.414 0.635 10 0 DCAELP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247159095 416332503 /nfs/dbraw/zinc/33/25/03/416332503.db2.gz XXWIBCRESVKRAE-KGLIPLIRSA-N 2 2 324.469 0.386 10 0 DCAELP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247159095 416332504 /nfs/dbraw/zinc/33/25/04/416332504.db2.gz XXWIBCRESVKRAE-KGLIPLIRSA-N 2 2 324.469 0.386 10 0 DCAELP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000247159095 416332505 /nfs/dbraw/zinc/33/25/05/416332505.db2.gz XXWIBCRESVKRAE-KGLIPLIRSA-N 2 2 324.469 0.386 10 0 DCAELP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000247159095 416332506 /nfs/dbraw/zinc/33/25/06/416332506.db2.gz XXWIBCRESVKRAE-KGLIPLIRSA-N 2 2 324.469 0.386 10 0 DCAELP C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000557378077 416733007 /nfs/dbraw/zinc/73/30/07/416733007.db2.gz QEXOIPCIROSPGX-GFCCVEGCSA-N 2 2 315.377 0.731 10 0 DCAELP C[C@@H]1CC[N@@H+](CCNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000557378077 416733010 /nfs/dbraw/zinc/73/30/10/416733010.db2.gz QEXOIPCIROSPGX-GFCCVEGCSA-N 2 2 315.377 0.731 10 0 DCAELP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)CN1CC[NH2+]CC1=O ZINC000646293741 417829351 /nfs/dbraw/zinc/82/93/51/417829351.db2.gz FBBXGKRWGCXRJC-CQSZACIVSA-N 2 2 318.421 0.055 10 0 DCAELP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CN1CC[NH2+]CC1=O ZINC000646293741 417829354 /nfs/dbraw/zinc/82/93/54/417829354.db2.gz FBBXGKRWGCXRJC-CQSZACIVSA-N 2 2 318.421 0.055 10 0 DCAELP C[N@H+](CCN1CC[NH+](CC(N)=O)CC1)Cc1ccc(F)cc1 ZINC000181771263 545904122 /nfs/dbraw/zinc/90/41/22/545904122.db2.gz NGTXEBQYCXPHOD-UHFFFAOYSA-N 2 2 308.401 0.360 10 0 DCAELP C[N@@H+](CCN1CC[NH+](CC(N)=O)CC1)Cc1ccc(F)cc1 ZINC000181771263 545904128 /nfs/dbraw/zinc/90/41/28/545904128.db2.gz NGTXEBQYCXPHOD-UHFFFAOYSA-N 2 2 308.401 0.360 10 0 DCAELP Cc1[nH+]cc(C[NH2+]C[C@H](O)Cn2ccnn2)n1-c1ccccc1 ZINC000459687795 272003711 /nfs/dbraw/zinc/00/37/11/272003711.db2.gz BOUQHYNZKPEWJG-INIZCTEOSA-N 2 2 312.377 0.923 10 0 DCAELP C([NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)c1nnc2n1CCCC2 ZINC000261956940 275395331 /nfs/dbraw/zinc/39/53/31/275395331.db2.gz OZZBPTAMNCXNHX-BFHYXJOUSA-N 2 2 305.426 0.861 10 0 DCAELP CC[N@@H+]1CCC[C@H](NC(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)C1 ZINC000246055984 276375121 /nfs/dbraw/zinc/37/51/21/276375121.db2.gz AIKLGXVWVISWLU-OWCLPIDISA-N 2 2 324.469 0.833 10 0 DCAELP CC[N@H+]1CCC[C@H](NC(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)C1 ZINC000246055984 276375123 /nfs/dbraw/zinc/37/51/23/276375123.db2.gz AIKLGXVWVISWLU-OWCLPIDISA-N 2 2 324.469 0.833 10 0 DCAELP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[C@H]3OCC[N@@H+](C)[C@@H]3C1)C2 ZINC000329748302 279162539 /nfs/dbraw/zinc/16/25/39/279162539.db2.gz ZXCWJGIHPSYZMJ-NUEKZKHPSA-N 2 2 318.421 0.685 10 0 DCAELP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[C@H]3OCC[N@H+](C)[C@@H]3C1)C2 ZINC000329748302 279162541 /nfs/dbraw/zinc/16/25/41/279162541.db2.gz ZXCWJGIHPSYZMJ-NUEKZKHPSA-N 2 2 318.421 0.685 10 0 DCAELP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000247224124 280099168 /nfs/dbraw/zinc/09/91/68/280099168.db2.gz WKIQJSZOYNDWOJ-HUUCEWRRSA-N 2 2 312.458 0.833 10 0 DCAELP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000247224124 280099170 /nfs/dbraw/zinc/09/91/70/280099170.db2.gz WKIQJSZOYNDWOJ-HUUCEWRRSA-N 2 2 312.458 0.833 10 0 DCAELP CC[N@H+](CC(=O)N1CC[C@H]([NH+](C)Cc2ncccn2)C1)C1CC1 ZINC000275894019 527901085 /nfs/dbraw/zinc/90/10/85/527901085.db2.gz HWWSLAYCWJUUFF-HNNXBMFYSA-N 2 2 317.437 0.994 10 0 DCAELP CC[N@@H+](CC(=O)N1CC[C@H]([NH+](C)Cc2ncccn2)C1)C1CC1 ZINC000275894019 527901090 /nfs/dbraw/zinc/90/10/90/527901090.db2.gz HWWSLAYCWJUUFF-HNNXBMFYSA-N 2 2 317.437 0.994 10 0 DCAELP CC[NH+](CC(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1)C1CC1 ZINC000275894019 527901094 /nfs/dbraw/zinc/90/10/94/527901094.db2.gz HWWSLAYCWJUUFF-HNNXBMFYSA-N 2 2 317.437 0.994 10 0 DCAELP CC[NH+](CC(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1)C1CC1 ZINC000275894019 527901098 /nfs/dbraw/zinc/90/10/98/527901098.db2.gz HWWSLAYCWJUUFF-HNNXBMFYSA-N 2 2 317.437 0.994 10 0 DCAELP C[C@@H]1[NH2+]CCC[C@H]1Nc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000333137782 546072396 /nfs/dbraw/zinc/07/23/96/546072396.db2.gz BVIPXXOPZPMZCO-NWDGAFQWSA-N 2 2 304.398 0.307 10 0 DCAELP CC[C@H](O)C[NH+]1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC000069969420 658662454 /nfs/dbraw/zinc/66/24/54/658662454.db2.gz AEGXDTWACWIXMJ-HNNXBMFYSA-N 2 2 308.426 0.887 10 0 DCAELP C[NH2+]CCOCC[N@H+](C)CC(=O)Nc1cccnc1Cl ZINC000706673184 667418905 /nfs/dbraw/zinc/41/89/05/667418905.db2.gz ATQPOEGVZQHAND-UHFFFAOYSA-N 2 2 300.790 0.841 10 0 DCAELP C[NH2+]CCOCC[N@@H+](C)CC(=O)Nc1cccnc1Cl ZINC000706673184 667418906 /nfs/dbraw/zinc/41/89/06/667418906.db2.gz ATQPOEGVZQHAND-UHFFFAOYSA-N 2 2 300.790 0.841 10 0 DCAELP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1S(=O)(=O)C1C[NH2+]C1 ZINC000405177383 774152913 /nfs/dbraw/zinc/15/29/13/774152913.db2.gz SIJPPPFSKJELES-CYBMUJFWSA-N 2 2 309.435 0.494 10 0 DCAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)C1C[NH2+]C1 ZINC000405177383 774152914 /nfs/dbraw/zinc/15/29/14/774152914.db2.gz SIJPPPFSKJELES-CYBMUJFWSA-N 2 2 309.435 0.494 10 0 DCAELP COC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)C1CCOCC1 ZINC000188044618 292836523 /nfs/dbraw/zinc/83/65/23/292836523.db2.gz JJQDHHATXOFEFU-GDBMZVCRSA-N 2 2 300.443 0.986 10 0 DCAELP CC[NH+](CC)CCCNS(=O)(=O)c1ccc(NN)[nH+]c1 ZINC000021516973 182277278 /nfs/dbraw/zinc/27/72/78/182277278.db2.gz PXAKDSIYWUSATO-UHFFFAOYSA-N 2 2 301.416 0.377 10 0 DCAELP CC(C)(C)NNc1[nH+]cnc(NCC[NH+]2CCOCC2)c1N ZINC000040796659 183135070 /nfs/dbraw/zinc/13/50/70/183135070.db2.gz LXEIXJGYHGBRDI-UHFFFAOYSA-N 2 2 309.418 0.518 10 0 DCAELP C[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000104782334 194039826 /nfs/dbraw/zinc/03/98/26/194039826.db2.gz RGVGIJJTMTVVFJ-INIZCTEOSA-N 2 2 320.437 0.878 10 0 DCAELP C[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000104782334 194039830 /nfs/dbraw/zinc/03/98/30/194039830.db2.gz RGVGIJJTMTVVFJ-INIZCTEOSA-N 2 2 320.437 0.878 10 0 DCAELP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCO1)c1ccco1 ZINC000105077705 194070076 /nfs/dbraw/zinc/07/00/76/194070076.db2.gz UYEBTHLLYIJYFZ-OLZOCXBDSA-N 2 2 310.398 0.512 10 0 DCAELP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1ccco1 ZINC000105077705 194070078 /nfs/dbraw/zinc/07/00/78/194070078.db2.gz UYEBTHLLYIJYFZ-OLZOCXBDSA-N 2 2 310.398 0.512 10 0 DCAELP C[N@@H+]1CCO[C@@H](CNC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000106561409 194230500 /nfs/dbraw/zinc/23/05/00/194230500.db2.gz MNWQSGBQURXRQC-QWHCGFSZSA-N 2 2 307.398 0.977 10 0 DCAELP C[N@H+]1CCO[C@@H](CNC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000106561409 194230501 /nfs/dbraw/zinc/23/05/01/194230501.db2.gz MNWQSGBQURXRQC-QWHCGFSZSA-N 2 2 307.398 0.977 10 0 DCAELP CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516081 395830949 /nfs/dbraw/zinc/83/09/49/395830949.db2.gz PBOIHDMQFWZSBR-ZDUSSCGKSA-N 2 2 319.409 0.970 10 0 DCAELP CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516081 395830951 /nfs/dbraw/zinc/83/09/51/395830951.db2.gz PBOIHDMQFWZSBR-ZDUSSCGKSA-N 2 2 319.409 0.970 10 0 DCAELP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000119551616 395872434 /nfs/dbraw/zinc/87/24/34/395872434.db2.gz YCXUZYBJLAGMTQ-LLVKDONJSA-N 2 2 308.382 0.875 10 0 DCAELP C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000246373129 395948161 /nfs/dbraw/zinc/94/81/61/395948161.db2.gz GUEPTFWJZKIACZ-LSDHHAIUSA-N 2 2 310.442 0.587 10 0 DCAELP C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000246373129 395948164 /nfs/dbraw/zinc/94/81/64/395948164.db2.gz GUEPTFWJZKIACZ-LSDHHAIUSA-N 2 2 310.442 0.587 10 0 DCAELP C[C@H](CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)[NH+]1CCOCC1 ZINC000246376284 395949000 /nfs/dbraw/zinc/94/90/00/395949000.db2.gz HCQBEGCDQODJMC-CABCVRRESA-N 2 2 310.442 0.587 10 0 DCAELP C[C@H](CNC(=O)N1CC[N@H+]2CCCC[C@H]2C1)[NH+]1CCOCC1 ZINC000246376284 395949003 /nfs/dbraw/zinc/94/90/03/395949003.db2.gz HCQBEGCDQODJMC-CABCVRRESA-N 2 2 310.442 0.587 10 0 DCAELP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000246574697 395953526 /nfs/dbraw/zinc/95/35/26/395953526.db2.gz ZOGYMGBXCVNDRM-ILXRZTDVSA-N 2 2 310.442 0.585 10 0 DCAELP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000246574697 395953529 /nfs/dbraw/zinc/95/35/29/395953529.db2.gz ZOGYMGBXCVNDRM-ILXRZTDVSA-N 2 2 310.442 0.585 10 0 DCAELP CC[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000246574697 395953533 /nfs/dbraw/zinc/95/35/33/395953533.db2.gz ZOGYMGBXCVNDRM-ILXRZTDVSA-N 2 2 310.442 0.585 10 0 DCAELP CC[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000246574697 395953534 /nfs/dbraw/zinc/95/35/34/395953534.db2.gz ZOGYMGBXCVNDRM-ILXRZTDVSA-N 2 2 310.442 0.585 10 0 DCAELP O=C1CCCN1C[C@H](O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000247410638 395973580 /nfs/dbraw/zinc/97/35/80/395973580.db2.gz SQOAPAKRDRLCSW-LSDHHAIUSA-N 2 2 318.421 0.799 10 0 DCAELP O=C1CCCN1C[C@H](O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000247410638 395973583 /nfs/dbraw/zinc/97/35/83/395973583.db2.gz SQOAPAKRDRLCSW-LSDHHAIUSA-N 2 2 318.421 0.799 10 0 DCAELP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2F)C1 ZINC000261668955 396054840 /nfs/dbraw/zinc/05/48/40/396054840.db2.gz HBEKEDPQLIPISM-GFCCVEGCSA-N 2 2 322.384 0.551 10 0 DCAELP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2F)C1 ZINC000261668955 396054844 /nfs/dbraw/zinc/05/48/44/396054844.db2.gz HBEKEDPQLIPISM-GFCCVEGCSA-N 2 2 322.384 0.551 10 0 DCAELP [NH3+]CC[N@H+](CCC(=O)N1CCOCC1)CCc1ccccc1 ZINC000261694501 396056890 /nfs/dbraw/zinc/05/68/90/396056890.db2.gz FNHJTXVWXRCPHQ-UHFFFAOYSA-N 2 2 305.422 0.739 10 0 DCAELP [NH3+]CC[N@@H+](CCC(=O)N1CCOCC1)CCc1ccccc1 ZINC000261694501 396056893 /nfs/dbraw/zinc/05/68/93/396056893.db2.gz FNHJTXVWXRCPHQ-UHFFFAOYSA-N 2 2 305.422 0.739 10 0 DCAELP O=S(=O)(C1CC1)N1CCC[N@H+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000261808340 396067775 /nfs/dbraw/zinc/06/77/75/396067775.db2.gz PRGOVXWBLXXUAD-ZDUSSCGKSA-N 2 2 301.456 0.486 10 0 DCAELP O=S(=O)(C1CC1)N1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000261808340 396067776 /nfs/dbraw/zinc/06/77/76/396067776.db2.gz PRGOVXWBLXXUAD-ZDUSSCGKSA-N 2 2 301.456 0.486 10 0 DCAELP c1cn(CCC[NH+]2CCN(c3cncc4ncnn43)CC2)c[nH+]1 ZINC000276568094 396011028 /nfs/dbraw/zinc/01/10/28/396011028.db2.gz SWYWPHNCFSZFIW-UHFFFAOYSA-N 2 2 312.381 0.533 10 0 DCAELP O=C(C[C@@H]1COCC[NH2+]1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000262143673 396103664 /nfs/dbraw/zinc/10/36/64/396103664.db2.gz MPUZJBOILOFZEA-CQSZACIVSA-N 2 2 304.394 0.545 10 0 DCAELP C[C@H](c1cccnc1)[NH+]1CCN(Cc2noc(C[NH3+])n2)CC1 ZINC000262154079 396105137 /nfs/dbraw/zinc/10/51/37/396105137.db2.gz GGMGZAGKPCRSCQ-GFCCVEGCSA-N 2 2 302.382 0.802 10 0 DCAELP C[C@@H](C[NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000262390875 396134527 /nfs/dbraw/zinc/13/45/27/396134527.db2.gz OEVBNIYNFBIPLH-YNEHKIRRSA-N 2 2 306.410 0.906 10 0 DCAELP CCOCCNC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000175944383 396147205 /nfs/dbraw/zinc/14/72/05/396147205.db2.gz XWZOLSKQSRWBDN-AWEZNQCLSA-N 2 2 306.410 0.968 10 0 DCAELP CCOCCNC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000175944383 396147208 /nfs/dbraw/zinc/14/72/08/396147208.db2.gz XWZOLSKQSRWBDN-AWEZNQCLSA-N 2 2 306.410 0.968 10 0 DCAELP Cc1ccc([C@H]([NH3+])C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000262509340 396149465 /nfs/dbraw/zinc/14/94/65/396149465.db2.gz MUPYAWDDJIICGA-HOTGVXAUSA-N 2 2 303.406 0.928 10 0 DCAELP C[N@H+](CCN1CC[NH+]([C@@H]2CCNC2=O)CC1)Cc1ccccc1 ZINC000178201275 396191363 /nfs/dbraw/zinc/19/13/63/396191363.db2.gz PSCPVQGJZGNJAD-QGZVFWFLSA-N 2 2 316.449 0.625 10 0 DCAELP C[N@@H+](CCN1CC[NH+]([C@@H]2CCNC2=O)CC1)Cc1ccccc1 ZINC000178201275 396191366 /nfs/dbraw/zinc/19/13/66/396191366.db2.gz PSCPVQGJZGNJAD-QGZVFWFLSA-N 2 2 316.449 0.625 10 0 DCAELP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000263076578 396200790 /nfs/dbraw/zinc/20/07/90/396200790.db2.gz XDHFFPWAXPYPSV-ZDUSSCGKSA-N 2 2 317.380 0.554 10 0 DCAELP C[C@H](O)CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000192508396 396432551 /nfs/dbraw/zinc/43/25/51/396432551.db2.gz NALPFFGABDVAAX-AWEZNQCLSA-N 2 2 312.458 0.617 10 0 DCAELP C[NH+](C)C1CC[NH+](CCNC(=O)c2cn3cccnc3n2)CC1 ZINC000531131700 396590361 /nfs/dbraw/zinc/59/03/61/396590361.db2.gz MDMZWDFAGPWJRT-UHFFFAOYSA-N 2 2 316.409 0.485 10 0 DCAELP C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000560989856 396627538 /nfs/dbraw/zinc/62/75/38/396627538.db2.gz QIEVHJDZZAFURS-LLVKDONJSA-N 2 2 303.366 0.729 10 0 DCAELP C[C@H](C[N@H+](C)Cc1ccccc1)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000309847614 396759092 /nfs/dbraw/zinc/75/90/92/396759092.db2.gz YTGZWLOMKDLULN-SJLPKXTDSA-N 2 2 321.465 0.790 10 0 DCAELP C[C@H](C[N@@H+](C)Cc1ccccc1)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000309847614 396759096 /nfs/dbraw/zinc/75/90/96/396759096.db2.gz YTGZWLOMKDLULN-SJLPKXTDSA-N 2 2 321.465 0.790 10 0 DCAELP Cc1ncccc1O[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000364502257 397212418 /nfs/dbraw/zinc/21/24/18/397212418.db2.gz CRBBQQYVPGDPKP-HNNXBMFYSA-N 2 2 318.421 0.617 10 0 DCAELP Cc1ncccc1O[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000364502257 397212423 /nfs/dbraw/zinc/21/24/23/397212423.db2.gz CRBBQQYVPGDPKP-HNNXBMFYSA-N 2 2 318.421 0.617 10 0 DCAELP Cn1ncc(Br)c1C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000397097561 397311593 /nfs/dbraw/zinc/31/15/93/397311593.db2.gz LBAANJYZDNLBMH-UHFFFAOYSA-N 2 2 303.204 0.468 10 0 DCAELP CC(=O)N[C@@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000613748504 397314799 /nfs/dbraw/zinc/31/47/99/397314799.db2.gz CJTLVOPSJUSPJX-OAHLLOKOSA-N 2 2 322.453 0.330 10 0 DCAELP CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000613748504 397314801 /nfs/dbraw/zinc/31/48/01/397314801.db2.gz CJTLVOPSJUSPJX-OAHLLOKOSA-N 2 2 322.453 0.330 10 0 DCAELP Cn1nccc1[C@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000369713001 397444706 /nfs/dbraw/zinc/44/47/06/397444706.db2.gz RXLGSHFFRIIPLZ-OAHLLOKOSA-N 2 2 305.426 0.721 10 0 DCAELP Cn1nccc1[C@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000369713001 397444708 /nfs/dbraw/zinc/44/47/08/397444708.db2.gz RXLGSHFFRIIPLZ-OAHLLOKOSA-N 2 2 305.426 0.721 10 0 DCAELP OC(C[NH+]1CCC[C@H]2OCC[C@H]21)C[N@@H+]1CCC[C@H]2OCC[C@H]21 ZINC000370201008 397454762 /nfs/dbraw/zinc/45/47/62/397454762.db2.gz GCBHDPRSIWSEDM-QBPKDAKJSA-N 2 2 310.438 0.854 10 0 DCAELP OC(C[NH+]1CCC[C@H]2OCC[C@H]21)C[N@H+]1CCC[C@H]2OCC[C@H]21 ZINC000370201008 397454766 /nfs/dbraw/zinc/45/47/66/397454766.db2.gz GCBHDPRSIWSEDM-QBPKDAKJSA-N 2 2 310.438 0.854 10 0 DCAELP CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606583943 397684009 /nfs/dbraw/zinc/68/40/09/397684009.db2.gz UPJBPCIEUBGELI-CYBMUJFWSA-N 2 2 302.382 0.702 10 0 DCAELP CN1CC[N@@H+](C)C[C@H]1CNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606583943 397684010 /nfs/dbraw/zinc/68/40/10/397684010.db2.gz UPJBPCIEUBGELI-CYBMUJFWSA-N 2 2 302.382 0.702 10 0 DCAELP COCCCS(=O)(=O)NCC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000177688483 292371753 /nfs/dbraw/zinc/37/17/53/292371753.db2.gz IGZHCFBXPCSIMP-KBPBESRZSA-N 2 2 321.487 0.357 10 0 DCAELP COCCCS(=O)(=O)NCC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000177688483 292371756 /nfs/dbraw/zinc/37/17/56/292371756.db2.gz IGZHCFBXPCSIMP-KBPBESRZSA-N 2 2 321.487 0.357 10 0 DCAELP COCCCS(=O)(=O)NCC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000177688483 292371758 /nfs/dbraw/zinc/37/17/58/292371758.db2.gz IGZHCFBXPCSIMP-KBPBESRZSA-N 2 2 321.487 0.357 10 0 DCAELP COCCCS(=O)(=O)NCC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000177688483 292371760 /nfs/dbraw/zinc/37/17/60/292371760.db2.gz IGZHCFBXPCSIMP-KBPBESRZSA-N 2 2 321.487 0.357 10 0 DCAELP COC(=O)CNC(=O)[C@H](C)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105876334 158131473 /nfs/dbraw/zinc/13/14/73/158131473.db2.gz NMIRNJMGPXCGFE-LBPRGKRZSA-N 2 2 322.409 0.352 10 0 DCAELP COC[C@H](C)NC(=O)NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123621350 158231392 /nfs/dbraw/zinc/23/13/92/158231392.db2.gz ZLNLGHIQMFWZAI-AVGNSLFASA-N 2 2 314.430 0.262 10 0 DCAELP COC[C@H](C)NC(=O)NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123621350 158231393 /nfs/dbraw/zinc/23/13/93/158231393.db2.gz ZLNLGHIQMFWZAI-AVGNSLFASA-N 2 2 314.430 0.262 10 0 DCAELP COC[C@H](C)NC(=O)NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123621350 158231395 /nfs/dbraw/zinc/23/13/95/158231395.db2.gz ZLNLGHIQMFWZAI-AVGNSLFASA-N 2 2 314.430 0.262 10 0 DCAELP COC[C@H](C)NC(=O)NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123621350 158231397 /nfs/dbraw/zinc/23/13/97/158231397.db2.gz ZLNLGHIQMFWZAI-AVGNSLFASA-N 2 2 314.430 0.262 10 0 DCAELP CC(=O)NCC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000172753095 158398392 /nfs/dbraw/zinc/39/83/92/158398392.db2.gz ZVZLCUUCUXSCGB-UHFFFAOYSA-N 2 2 310.442 0.189 10 0 DCAELP Cc1noc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000329455292 159094347 /nfs/dbraw/zinc/09/43/47/159094347.db2.gz MNYPXVVIEIECFE-UHFFFAOYSA-N 2 2 321.425 0.754 10 0 DCAELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cn([C@@H]3COC[C@H]3OC)nn2)[C@@H](C)C1 ZINC000329719716 159114300 /nfs/dbraw/zinc/11/43/00/159114300.db2.gz AFRQFMAVLDGVKI-LCGIIJARSA-N 2 2 323.441 0.684 10 0 DCAELP CC[N@H+]1CC[C@@H]([NH2+]Cc2cn([C@@H]3COC[C@H]3OC)nn2)[C@@H](C)C1 ZINC000329719716 159114305 /nfs/dbraw/zinc/11/43/05/159114305.db2.gz AFRQFMAVLDGVKI-LCGIIJARSA-N 2 2 323.441 0.684 10 0 DCAELP CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000408070602 160028242 /nfs/dbraw/zinc/02/82/42/160028242.db2.gz JYMXAZXESLESQL-UONOGXRCSA-N 2 2 303.472 0.922 10 0 DCAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCC(=O)N2CCCC2)[C@@H](C)C1 ZINC000245424127 287069136 /nfs/dbraw/zinc/06/91/36/287069136.db2.gz JXCRVQAUCITWQR-LSDHHAIUSA-N 2 2 324.469 0.387 10 0 DCAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCC(=O)N2CCCC2)[C@@H](C)C1 ZINC000245424127 287069137 /nfs/dbraw/zinc/06/91/37/287069137.db2.gz JXCRVQAUCITWQR-LSDHHAIUSA-N 2 2 324.469 0.387 10 0 DCAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCC(=O)N2CCCC2)[C@@H](C)C1 ZINC000245424127 287069141 /nfs/dbraw/zinc/06/91/41/287069141.db2.gz JXCRVQAUCITWQR-LSDHHAIUSA-N 2 2 324.469 0.387 10 0 DCAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCC(=O)N2CCCC2)[C@@H](C)C1 ZINC000245424127 287069143 /nfs/dbraw/zinc/06/91/43/287069143.db2.gz JXCRVQAUCITWQR-LSDHHAIUSA-N 2 2 324.469 0.387 10 0 DCAELP C[C@@H](O)C1CC[NH+](C[C@H](O)C[NH+]2CCC([C@H](C)O)CC2)CC1 ZINC000248731169 287100489 /nfs/dbraw/zinc/10/04/89/287100489.db2.gz KKJPLUJOWDJWDY-HALDLXJZSA-N 2 2 314.470 0.533 10 0 DCAELP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000273063847 415303840 /nfs/dbraw/zinc/30/38/40/415303840.db2.gz JIZOEWAHSVSUTE-HUUCEWRRSA-N 2 2 306.410 0.842 10 0 DCAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCN(C(C)=O)CC2)[C@H](C)C1 ZINC000079462019 415469459 /nfs/dbraw/zinc/46/94/59/415469459.db2.gz NZTBLUMQDARDNP-ZBFHGGJFSA-N 2 2 324.469 0.339 10 0 DCAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCN(C(C)=O)CC2)[C@H](C)C1 ZINC000079462019 415469468 /nfs/dbraw/zinc/46/94/68/415469468.db2.gz NZTBLUMQDARDNP-ZBFHGGJFSA-N 2 2 324.469 0.339 10 0 DCAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCN(C(C)=O)CC2)[C@H](C)C1 ZINC000079462019 415469474 /nfs/dbraw/zinc/46/94/74/415469474.db2.gz NZTBLUMQDARDNP-ZBFHGGJFSA-N 2 2 324.469 0.339 10 0 DCAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCN(C(C)=O)CC2)[C@H](C)C1 ZINC000079462019 415469479 /nfs/dbraw/zinc/46/94/79/415469479.db2.gz NZTBLUMQDARDNP-ZBFHGGJFSA-N 2 2 324.469 0.339 10 0 DCAELP CCC[NH+]1CCC(N(C)C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000105283351 415630590 /nfs/dbraw/zinc/63/05/90/415630590.db2.gz ANHOEXBSNKRTHO-OAHLLOKOSA-N 2 2 312.458 0.833 10 0 DCAELP CCC[NH+]1CCC(N(C)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000105283351 415630594 /nfs/dbraw/zinc/63/05/94/415630594.db2.gz ANHOEXBSNKRTHO-OAHLLOKOSA-N 2 2 312.458 0.833 10 0 DCAELP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000105282320 415631769 /nfs/dbraw/zinc/63/17/69/415631769.db2.gz HXPXFFFVYRECIW-AWEZNQCLSA-N 2 2 300.447 0.546 10 0 DCAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)NCC(=O)N2CCCC2)CC[N@@H+]1C ZINC000123855006 415844486 /nfs/dbraw/zinc/84/44/86/415844486.db2.gz VJPOGDGBLCBCIJ-KBPBESRZSA-N 2 2 310.442 0.140 10 0 DCAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)NCC(=O)N2CCCC2)CC[N@H+]1C ZINC000123855006 415844490 /nfs/dbraw/zinc/84/44/90/415844490.db2.gz VJPOGDGBLCBCIJ-KBPBESRZSA-N 2 2 310.442 0.140 10 0 DCAELP C[C@H]1C[C@@H]([N@H+](C)CC(=O)NCC(=O)N2CCCC2)CC[NH+]1C ZINC000123855006 415844493 /nfs/dbraw/zinc/84/44/93/415844493.db2.gz VJPOGDGBLCBCIJ-KBPBESRZSA-N 2 2 310.442 0.140 10 0 DCAELP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)NCC(=O)N2CCCC2)CC[NH+]1C ZINC000123855006 415844498 /nfs/dbraw/zinc/84/44/98/415844498.db2.gz VJPOGDGBLCBCIJ-KBPBESRZSA-N 2 2 310.442 0.140 10 0 DCAELP Cn1nccc1C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000120921675 415786927 /nfs/dbraw/zinc/78/69/27/415786927.db2.gz BUNSNEFWPLOOPB-UHFFFAOYSA-N 2 2 305.426 0.374 10 0 DCAELP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCCC[C@H]2n2cccn2)CC1 ZINC000127866501 415892199 /nfs/dbraw/zinc/89/21/99/415892199.db2.gz CZYISAQAWVFGGV-LSDHHAIUSA-N 2 2 305.426 0.730 10 0 DCAELP CC(C)C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH+]1CCOCC1 ZINC000174508772 416080249 /nfs/dbraw/zinc/08/02/49/416080249.db2.gz RGJXWULMOAAXRI-GJZGRUSLSA-N 2 2 313.442 0.180 10 0 DCAELP CC(C)C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCOCC1 ZINC000174508772 416080251 /nfs/dbraw/zinc/08/02/51/416080251.db2.gz RGJXWULMOAAXRI-GJZGRUSLSA-N 2 2 313.442 0.180 10 0 DCAELP O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)[C@]1(F)CC[NH2+]C1 ZINC000163868806 416016755 /nfs/dbraw/zinc/01/67/55/416016755.db2.gz GWGLHKQAGIMMJZ-WBVHZDCISA-N 2 2 321.396 0.878 10 0 DCAELP CC[C@@H](C(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1)[NH+](C)C ZINC000164436494 416017509 /nfs/dbraw/zinc/01/75/09/416017509.db2.gz GLFQSSBQZQHRDR-OLZOCXBDSA-N 2 2 320.441 0.944 10 0 DCAELP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177399088 416144497 /nfs/dbraw/zinc/14/44/97/416144497.db2.gz ARBVQXLHHNCPTB-LSDHHAIUSA-N 2 2 321.425 0.778 10 0 DCAELP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+]1CCOCC1 ZINC000174609893 416081093 /nfs/dbraw/zinc/08/10/93/416081093.db2.gz MAUUDJLJCUVNBM-LSDHHAIUSA-N 2 2 310.442 0.587 10 0 DCAELP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+]1CCOCC1 ZINC000174609893 416081095 /nfs/dbraw/zinc/08/10/95/416081095.db2.gz MAUUDJLJCUVNBM-LSDHHAIUSA-N 2 2 310.442 0.587 10 0 DCAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000180481403 416196866 /nfs/dbraw/zinc/19/68/66/416196866.db2.gz TYRBJRWMKLHGHE-OAHLLOKOSA-N 3 2 319.453 0.856 10 0 DCAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000180481403 416196870 /nfs/dbraw/zinc/19/68/70/416196870.db2.gz TYRBJRWMKLHGHE-OAHLLOKOSA-N 3 2 319.453 0.856 10 0 DCAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N2CCN(C)CC2)C1 ZINC000180481403 416196872 /nfs/dbraw/zinc/19/68/72/416196872.db2.gz TYRBJRWMKLHGHE-OAHLLOKOSA-N 2 2 319.453 0.856 10 0 DCAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N2CCN(C)CC2)C1 ZINC000180481403 416196874 /nfs/dbraw/zinc/19/68/74/416196874.db2.gz TYRBJRWMKLHGHE-OAHLLOKOSA-N 2 2 319.453 0.856 10 0 DCAELP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H]3CCNC3=O)CC2)CC1 ZINC000178201339 416159432 /nfs/dbraw/zinc/15/94/32/416159432.db2.gz COPFOLRDXANLCV-OAHLLOKOSA-N 2 2 322.453 0.141 10 0 DCAELP Cc1nccc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)n1 ZINC000361314747 416428972 /nfs/dbraw/zinc/42/89/72/416428972.db2.gz GPWSIOXNLYNWQB-UHFFFAOYSA-N 2 2 306.410 0.444 10 0 DCAELP CN(C)c1nc(N2CC[NH+]([C@H]3CCCN(C)C3=O)CC2)cc[nH+]1 ZINC000537610215 416559652 /nfs/dbraw/zinc/55/96/52/416559652.db2.gz IRTYOOSPMDJEAT-ZDUSSCGKSA-N 2 2 318.425 0.285 10 0 DCAELP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)CC1 ZINC000367846988 416654099 /nfs/dbraw/zinc/65/40/99/416654099.db2.gz OAERNPFDGQYRFR-WMLDXEAASA-N 2 2 322.453 0.093 10 0 DCAELP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)CC1 ZINC000367846988 416654104 /nfs/dbraw/zinc/65/41/04/416654104.db2.gz OAERNPFDGQYRFR-WMLDXEAASA-N 2 2 322.453 0.093 10 0 DCAELP CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC000367846988 416654109 /nfs/dbraw/zinc/65/41/09/416654109.db2.gz OAERNPFDGQYRFR-WMLDXEAASA-N 2 2 322.453 0.093 10 0 DCAELP CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000367846988 416654113 /nfs/dbraw/zinc/65/41/13/416654113.db2.gz OAERNPFDGQYRFR-WMLDXEAASA-N 2 2 322.453 0.093 10 0 DCAELP C(C[NH+]1CCOCC1)N1CCC([NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000624221763 416982993 /nfs/dbraw/zinc/98/29/93/416982993.db2.gz HOOSDDQQJUAGTN-ZWKOTPCHSA-N 2 2 323.481 0.940 10 0 DCAELP C(C[NH+]1CCC([NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC1)N1CCOCC1 ZINC000624221763 416983004 /nfs/dbraw/zinc/98/30/04/416983004.db2.gz HOOSDDQQJUAGTN-ZWKOTPCHSA-N 2 2 323.481 0.940 10 0 DCAELP C[NH+](C)CCN1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000362786979 262072983 /nfs/dbraw/zinc/07/29/83/262072983.db2.gz FUMJCVDQXGUMMX-CQSZACIVSA-N 2 2 305.426 0.151 10 0 DCAELP C[NH+]1CCC(CC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)CC1 ZINC000362855825 262080797 /nfs/dbraw/zinc/08/07/97/262080797.db2.gz OFMLDRROOAGWTB-UHFFFAOYSA-N 2 2 305.426 0.786 10 0 DCAELP C[N@@H+]1CC[C@@H]2CCN(c3cc(N4CCC[C@@H]4CO)[nH+]cn3)[C@@H]2C1 ZINC000330347918 277146680 /nfs/dbraw/zinc/14/66/80/277146680.db2.gz IGFAYNPDIKSEDO-RBSFLKMASA-N 2 2 317.437 0.968 10 0 DCAELP C[N@H+]1CC[C@@H]2CCN(c3cc(N4CCC[C@@H]4CO)[nH+]cn3)[C@@H]2C1 ZINC000330347918 277146681 /nfs/dbraw/zinc/14/66/81/277146681.db2.gz IGFAYNPDIKSEDO-RBSFLKMASA-N 2 2 317.437 0.968 10 0 DCAELP CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC[NH+](C2CC2)CC1 ZINC000170836935 281284866 /nfs/dbraw/zinc/28/48/66/281284866.db2.gz YHMFAXLGAOCLSC-UHFFFAOYSA-N 2 2 324.469 0.977 10 0 DCAELP CC1(C)COCC[N@H+]1CCNC(=O)N1CCC[NH+](C2CC2)CC1 ZINC000170836935 281284872 /nfs/dbraw/zinc/28/48/72/281284872.db2.gz YHMFAXLGAOCLSC-UHFFFAOYSA-N 2 2 324.469 0.977 10 0 DCAELP CC1(C)COCC[NH+]1CCNC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000170836935 281284876 /nfs/dbraw/zinc/28/48/76/281284876.db2.gz YHMFAXLGAOCLSC-UHFFFAOYSA-N 2 2 324.469 0.977 10 0 DCAELP CC1(C)COCC[NH+]1CCNC(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000170836935 281284878 /nfs/dbraw/zinc/28/48/78/281284878.db2.gz YHMFAXLGAOCLSC-UHFFFAOYSA-N 2 2 324.469 0.977 10 0 DCAELP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173800007 289564239 /nfs/dbraw/zinc/56/42/39/289564239.db2.gz HHVAFAYJSJFEHB-CVEARBPZSA-N 2 2 324.469 0.977 10 0 DCAELP C[N@H+]1C[C@@H]2C[NH+](CC(=O)N3CCO[C@H]4CCCC[C@H]43)C[C@@H]2C1 ZINC000193616926 290288518 /nfs/dbraw/zinc/28/85/18/290288518.db2.gz JQDYYHFUBXLQNJ-QXSJWSMHSA-N 2 2 307.438 0.650 10 0 DCAELP C[N@@H+]1C[C@@H]2C[NH+](CC(=O)N3CCO[C@H]4CCCC[C@H]43)C[C@@H]2C1 ZINC000193616926 290288522 /nfs/dbraw/zinc/28/85/22/290288522.db2.gz JQDYYHFUBXLQNJ-QXSJWSMHSA-N 2 2 307.438 0.650 10 0 DCAELP C[NH+]1C[C@@H]2C[N@@H+](CC(=O)N3CCO[C@H]4CCCC[C@H]43)C[C@@H]2C1 ZINC000193616926 290288524 /nfs/dbraw/zinc/28/85/24/290288524.db2.gz JQDYYHFUBXLQNJ-QXSJWSMHSA-N 2 2 307.438 0.650 10 0 DCAELP C[NH+]1C[C@@H]2C[N@H+](CC(=O)N3CCO[C@H]4CCCC[C@H]43)C[C@@H]2C1 ZINC000193616926 290288527 /nfs/dbraw/zinc/28/85/27/290288527.db2.gz JQDYYHFUBXLQNJ-QXSJWSMHSA-N 2 2 307.438 0.650 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](CO)c2ccccc2)CC1 ZINC000182919655 521667696 /nfs/dbraw/zinc/66/76/96/521667696.db2.gz VIAYUWPDJYUEPF-HOCLYGCPSA-N 2 2 305.422 0.862 10 0 DCAELP Cc1cc(N2CC[NH+](CCn3cc[nH+]c3)CC2)n2ncnc2n1 ZINC000131139713 545789812 /nfs/dbraw/zinc/78/98/12/545789812.db2.gz PPUIHFAEPLGMKQ-UHFFFAOYSA-N 2 2 312.381 0.451 10 0 DCAELP Cc1c[nH+]ccc1N1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000191977340 545927032 /nfs/dbraw/zinc/92/70/32/545927032.db2.gz RDPFTGHQRPFLJY-UHFFFAOYSA-N 2 2 304.394 0.371 10 0 DCAELP C[C@@H]1C[NH+](C[C@@H]2CCCN2Cc2noc(C[NH3+])n2)C[C@@H](C)O1 ZINC000262146315 662112261 /nfs/dbraw/zinc/11/22/61/662112261.db2.gz FMVJWXXZAIKICI-UPJWGTAASA-N 2 2 309.414 0.602 10 0 DCAELP CN1C(=O)C(=O)N(C[NH+]2CCC(C[NH+]3CCCC3)CC2)C1=O ZINC000151807157 664716730 /nfs/dbraw/zinc/71/67/30/664716730.db2.gz HJRKFWIKQVFQAF-UHFFFAOYSA-N 2 2 308.382 0.172 10 0 DCAELP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000176641879 282189888 /nfs/dbraw/zinc/18/98/88/282189888.db2.gz YOQYXGZWTQMZLW-OAGGEKHMSA-N 2 2 324.469 0.975 10 0 DCAELP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000247221006 282192624 /nfs/dbraw/zinc/19/26/24/282192624.db2.gz YOQYXGZWTQMZLW-ARFHVFGLSA-N 2 2 324.469 0.975 10 0 DCAELP Cn1ncc2c1nc(N1CCC([C@@H]3CC[NH2+]C3)CC1)[nH+]c2N ZINC000333619596 282843483 /nfs/dbraw/zinc/84/34/83/282843483.db2.gz ZGBZDZOWEGIBMV-LLVKDONJSA-N 2 2 301.398 0.771 10 0 DCAELP CNc1cc(N2CCC[C@H]2CNC(=O)C[N@H+](C)C(C)C)nc[nH+]1 ZINC000173416827 198212314 /nfs/dbraw/zinc/21/23/14/198212314.db2.gz JDXIZQWKQLKADR-ZDUSSCGKSA-N 2 2 320.441 0.944 10 0 DCAELP CNc1cc(N2CCC[C@H]2CNC(=O)C[N@@H+](C)C(C)C)nc[nH+]1 ZINC000173416827 198212316 /nfs/dbraw/zinc/21/23/16/198212316.db2.gz JDXIZQWKQLKADR-ZDUSSCGKSA-N 2 2 320.441 0.944 10 0 DCAELP CNc1cc(N2CCC[C@H]2CNC(=O)C[N@H+](C)C(C)C)[nH+]cn1 ZINC000173416827 198212317 /nfs/dbraw/zinc/21/23/17/198212317.db2.gz JDXIZQWKQLKADR-ZDUSSCGKSA-N 2 2 320.441 0.944 10 0 DCAELP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000174658829 198366928 /nfs/dbraw/zinc/36/69/28/198366928.db2.gz LFGOEGOWHVJFFX-KBPBESRZSA-N 2 2 306.410 0.940 10 0 DCAELP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000174658829 198366929 /nfs/dbraw/zinc/36/69/29/198366929.db2.gz LFGOEGOWHVJFFX-KBPBESRZSA-N 2 2 306.410 0.940 10 0 DCAELP C[N@@H+]1CCO[C@@H](CNC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000104799683 194040811 /nfs/dbraw/zinc/04/08/11/194040811.db2.gz XTIKMMQZIJNODK-AWEZNQCLSA-N 2 2 319.409 0.244 10 0 DCAELP C[N@H+]1CCO[C@@H](CNC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000104799683 194040813 /nfs/dbraw/zinc/04/08/13/194040813.db2.gz XTIKMMQZIJNODK-AWEZNQCLSA-N 2 2 319.409 0.244 10 0 DCAELP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000104799967 194041994 /nfs/dbraw/zinc/04/19/94/194041994.db2.gz PZSDQDNTJFIIRR-CVEARBPZSA-N 2 2 320.437 0.919 10 0 DCAELP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000104799967 194041996 /nfs/dbraw/zinc/04/19/96/194041996.db2.gz PZSDQDNTJFIIRR-CVEARBPZSA-N 2 2 320.437 0.919 10 0 DCAELP C[C@H](CNC(=O)NC[C@H]1C[N@H+](C)CCO1)C[NH+]1CCCCC1 ZINC000105167646 194080741 /nfs/dbraw/zinc/08/07/41/194080741.db2.gz MUCCVDMIOXHYCP-CABCVRRESA-N 2 2 312.458 0.738 10 0 DCAELP C[C@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCO1)C[NH+]1CCCCC1 ZINC000105167646 194080743 /nfs/dbraw/zinc/08/07/43/194080743.db2.gz MUCCVDMIOXHYCP-CABCVRRESA-N 2 2 312.458 0.738 10 0 DCAELP Cn1cc[nH+]c1CNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2CC2CC2)O1 ZINC000248139957 257108221 /nfs/dbraw/zinc/10/82/21/257108221.db2.gz PVFYMTMKQDTJTF-MCIONIFRSA-N 2 2 304.394 0.678 10 0 DCAELP Cn1cc[nH+]c1CNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2CC2CC2)O1 ZINC000248139957 257108223 /nfs/dbraw/zinc/10/82/23/257108223.db2.gz PVFYMTMKQDTJTF-MCIONIFRSA-N 2 2 304.394 0.678 10 0 DCAELP C[NH+]1CCN(C(=O)[C@@H]2CC[C@H]3[C@H](CC[N@@H+]3CC3CC3)O2)CC1 ZINC000248108228 257109342 /nfs/dbraw/zinc/10/93/42/257109342.db2.gz GKUUZUXIAGBEDR-JYJNAYRXSA-N 2 2 307.438 0.792 10 0 DCAELP C[NH+]1CCN(C(=O)[C@@H]2CC[C@H]3[C@H](CC[N@H+]3CC3CC3)O2)CC1 ZINC000248108228 257109343 /nfs/dbraw/zinc/10/93/43/257109343.db2.gz GKUUZUXIAGBEDR-JYJNAYRXSA-N 2 2 307.438 0.792 10 0 DCAELP CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2c[nH+]ccc2OC)C1 ZINC000195047704 395814386 /nfs/dbraw/zinc/81/43/86/395814386.db2.gz ZACIDZQTMKGELD-LLVKDONJSA-N 2 2 306.366 0.629 10 0 DCAELP CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2c[nH+]ccc2OC)C1 ZINC000195047704 395814390 /nfs/dbraw/zinc/81/43/90/395814390.db2.gz ZACIDZQTMKGELD-LLVKDONJSA-N 2 2 306.366 0.629 10 0 DCAELP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1COCC[NH2+]1 ZINC000238131818 395922272 /nfs/dbraw/zinc/92/22/72/395922272.db2.gz HRMYWUPUZOBLAR-CVEARBPZSA-N 2 2 303.406 0.756 10 0 DCAELP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1COCC[NH2+]1 ZINC000238131818 395922274 /nfs/dbraw/zinc/92/22/74/395922274.db2.gz HRMYWUPUZOBLAR-CVEARBPZSA-N 2 2 303.406 0.756 10 0 DCAELP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000245412529 395928246 /nfs/dbraw/zinc/92/82/46/395928246.db2.gz AARUQTCDOWLKIP-GJZGRUSLSA-N 2 2 312.458 0.833 10 0 DCAELP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000246393881 395949043 /nfs/dbraw/zinc/94/90/43/395949043.db2.gz WGIMBVKKUVPTLP-HOTGVXAUSA-N 2 2 305.422 0.606 10 0 DCAELP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000246393881 395949045 /nfs/dbraw/zinc/94/90/45/395949045.db2.gz WGIMBVKKUVPTLP-HOTGVXAUSA-N 2 2 305.422 0.606 10 0 DCAELP CC1(C)COCC[N@@H+]1CCNC(=O)N1CC[NH+]2CCCC[C@H]2C1 ZINC000246514101 395951375 /nfs/dbraw/zinc/95/13/75/395951375.db2.gz UXIJHCUAXCUIRS-HNNXBMFYSA-N 2 2 324.469 0.977 10 0 DCAELP CC1(C)COCC[N@H+]1CCNC(=O)N1CC[NH+]2CCCC[C@H]2C1 ZINC000246514101 395951376 /nfs/dbraw/zinc/95/13/76/395951376.db2.gz UXIJHCUAXCUIRS-HNNXBMFYSA-N 2 2 324.469 0.977 10 0 DCAELP CC1(C)COCC[NH+]1CCNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246514101 395951378 /nfs/dbraw/zinc/95/13/78/395951378.db2.gz UXIJHCUAXCUIRS-HNNXBMFYSA-N 2 2 324.469 0.977 10 0 DCAELP CC1(C)COCC[NH+]1CCNC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000246514101 395951379 /nfs/dbraw/zinc/95/13/79/395951379.db2.gz UXIJHCUAXCUIRS-HNNXBMFYSA-N 2 2 324.469 0.977 10 0 DCAELP C[C@H]([C@H](C)NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)[NH+]1CCOCC1 ZINC000246525593 395952128 /nfs/dbraw/zinc/95/21/28/395952128.db2.gz WDRDRAYDKFLYEI-XHSDSOJGSA-N 2 2 324.469 0.975 10 0 DCAELP C[C@H]([C@H](C)NC(=O)N1CC[N@H+]2CCCC[C@H]2C1)[NH+]1CCOCC1 ZINC000246525593 395952130 /nfs/dbraw/zinc/95/21/30/395952130.db2.gz WDRDRAYDKFLYEI-XHSDSOJGSA-N 2 2 324.469 0.975 10 0 DCAELP CS(=O)(=O)CC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000261978400 396086641 /nfs/dbraw/zinc/08/66/41/396086641.db2.gz RJKSVRRVFLJDFB-MJBXVCDLSA-N 2 2 316.467 0.558 10 0 DCAELP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261965981 396085019 /nfs/dbraw/zinc/08/50/19/396085019.db2.gz HTGSNVPLAMXQMC-DOTOQJQBSA-N 2 2 308.470 0.615 10 0 DCAELP C[NH+](C)C[C@H]1CN(C(=O)NCc2ccn3cc[nH+]c3c2)CCO1 ZINC000177770422 396182804 /nfs/dbraw/zinc/18/28/04/396182804.db2.gz ADENXOMGEDPYKY-AWEZNQCLSA-N 2 2 317.393 0.806 10 0 DCAELP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C[C@H](C)O1 ZINC000262919795 396192075 /nfs/dbraw/zinc/19/20/75/396192075.db2.gz GSNUDURNEXVXKA-TUAOUCFPSA-N 2 2 319.396 0.988 10 0 DCAELP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C[C@H](C)O1 ZINC000262919795 396192078 /nfs/dbraw/zinc/19/20/78/396192078.db2.gz GSNUDURNEXVXKA-TUAOUCFPSA-N 2 2 319.396 0.988 10 0 DCAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)NCC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000181946562 396243770 /nfs/dbraw/zinc/24/37/70/396243770.db2.gz VQPQXRXSRYEQSI-CHWSQXEVSA-N 2 2 313.442 0.859 10 0 DCAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)NCC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000181946562 396243771 /nfs/dbraw/zinc/24/37/71/396243771.db2.gz VQPQXRXSRYEQSI-CHWSQXEVSA-N 2 2 313.442 0.859 10 0 DCAELP C[C@@H]1C[C@H]([N@H+](C)CC(=O)NCC(=O)OC(C)(C)C)CC[NH+]1C ZINC000181946562 396243773 /nfs/dbraw/zinc/24/37/73/396243773.db2.gz VQPQXRXSRYEQSI-CHWSQXEVSA-N 2 2 313.442 0.859 10 0 DCAELP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)NCC(=O)OC(C)(C)C)CC[NH+]1C ZINC000181946562 396243776 /nfs/dbraw/zinc/24/37/76/396243776.db2.gz VQPQXRXSRYEQSI-CHWSQXEVSA-N 2 2 313.442 0.859 10 0 DCAELP COC(=O)[C@@H](C(OC)OC)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000191446946 396419613 /nfs/dbraw/zinc/41/96/13/396419613.db2.gz GZTDYUQJKYFAIQ-AWEZNQCLSA-N 2 2 314.426 0.955 10 0 DCAELP C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000590344197 396760861 /nfs/dbraw/zinc/76/08/61/396760861.db2.gz YKHGUPKDPSELFX-GFCCVEGCSA-N 2 2 305.386 0.851 10 0 DCAELP CO[C@@H](C)[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000375558526 396772157 /nfs/dbraw/zinc/77/21/57/396772157.db2.gz RSINSDBDGXRGNO-IHRRRGAJSA-N 2 2 312.458 0.878 10 0 DCAELP CO[C@@H](C)[C@H](C)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000375558526 396772161 /nfs/dbraw/zinc/77/21/61/396772161.db2.gz RSINSDBDGXRGNO-IHRRRGAJSA-N 2 2 312.458 0.878 10 0 DCAELP C[N@@H+]1CCO[C@@H]2CN(C(=O)NC[C@H]3CCc4[nH+]ccn4C3)C[C@H]21 ZINC000332925176 396909537 /nfs/dbraw/zinc/90/95/37/396909537.db2.gz YYSPSLOZBMJFMH-MGPQQGTHSA-N 2 2 319.409 0.170 10 0 DCAELP C[N@H+]1CCO[C@@H]2CN(C(=O)NC[C@H]3CCc4[nH+]ccn4C3)C[C@H]21 ZINC000332925176 396909543 /nfs/dbraw/zinc/90/95/43/396909543.db2.gz YYSPSLOZBMJFMH-MGPQQGTHSA-N 2 2 319.409 0.170 10 0 DCAELP C[NH+](C)C[C@@H](NC(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000047618242 158004020 /nfs/dbraw/zinc/00/40/20/158004020.db2.gz OCUANEIXXBAITJ-MRXNPFEDSA-N 2 2 320.437 0.921 10 0 DCAELP CC[C@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)CCN1CC(F)F ZINC000093256613 158118505 /nfs/dbraw/zinc/11/85/05/158118505.db2.gz VACJDQFJZAKXRI-ZDUSSCGKSA-N 2 2 318.412 0.422 10 0 DCAELP CC[C@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)CCN1CC(F)F ZINC000093256613 158118507 /nfs/dbraw/zinc/11/85/07/158118507.db2.gz VACJDQFJZAKXRI-ZDUSSCGKSA-N 2 2 318.412 0.422 10 0 DCAELP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2CCCc3n[nH]cc32)CC1 ZINC000134467649 158327679 /nfs/dbraw/zinc/32/76/79/158327679.db2.gz VAMSJXKHOMQXTE-AWEZNQCLSA-N 2 2 319.453 0.972 10 0 DCAELP C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000138979414 158347301 /nfs/dbraw/zinc/34/73/01/158347301.db2.gz IENSSNYEXPSYTA-INIZCTEOSA-N 2 2 324.469 0.977 10 0 DCAELP C[N@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000138979414 158347307 /nfs/dbraw/zinc/34/73/07/158347307.db2.gz IENSSNYEXPSYTA-INIZCTEOSA-N 2 2 324.469 0.977 10 0 DCAELP C[N@@H+]1CCO[C@H](CNC(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000138979317 158347817 /nfs/dbraw/zinc/34/78/17/158347817.db2.gz IENSSNYEXPSYTA-MRXNPFEDSA-N 2 2 324.469 0.977 10 0 DCAELP C[N@H+]1CCO[C@H](CNC(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000138979317 158347818 /nfs/dbraw/zinc/34/78/18/158347818.db2.gz IENSSNYEXPSYTA-MRXNPFEDSA-N 2 2 324.469 0.977 10 0 DCAELP O=C1CCCN1C[C@H](O)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000328652047 159018007 /nfs/dbraw/zinc/01/80/07/159018007.db2.gz JVYNRMHHNGDRLA-HIFRSBDPSA-N 2 2 305.378 0.518 10 0 DCAELP CO[C@H]1C[C@@H](C(=O)N2CC[NH2+][C@H](c3cccnc3)C2)[N@H+](C)C1 ZINC000329172850 159070710 /nfs/dbraw/zinc/07/07/10/159070710.db2.gz KOXVUJFKIVRIAL-KKUMJFAQSA-N 2 2 304.394 0.274 10 0 DCAELP CO[C@H]1C[C@@H](C(=O)N2CC[NH2+][C@H](c3cccnc3)C2)[N@@H+](C)C1 ZINC000329172850 159070712 /nfs/dbraw/zinc/07/07/12/159070712.db2.gz KOXVUJFKIVRIAL-KKUMJFAQSA-N 2 2 304.394 0.274 10 0 DCAELP C[C@@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCOCC1 ZINC000245680137 287071835 /nfs/dbraw/zinc/07/18/35/287071835.db2.gz GJILAHIAUFFAIV-QLFBSQMISA-N 2 2 312.458 0.831 10 0 DCAELP C[C@@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCOCC1 ZINC000245680137 287071838 /nfs/dbraw/zinc/07/18/38/287071838.db2.gz GJILAHIAUFFAIV-QLFBSQMISA-N 2 2 312.458 0.831 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](NC(C)=O)C2)CC1 ZINC000249721374 287117697 /nfs/dbraw/zinc/11/76/97/287117697.db2.gz MOZHYFNQNHEDMK-DZGCQCFKSA-N 2 2 310.442 0.140 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](NC(C)=O)C2)CC1 ZINC000249721374 287117700 /nfs/dbraw/zinc/11/77/00/287117700.db2.gz MOZHYFNQNHEDMK-DZGCQCFKSA-N 2 2 310.442 0.140 10 0 DCAELP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000273063851 415303681 /nfs/dbraw/zinc/30/36/81/415303681.db2.gz JIZOEWAHSVSUTE-LSDHHAIUSA-N 2 2 306.410 0.842 10 0 DCAELP Cc1ccc(N2CCC(NC(=O)[C@H]3C[N@H+](C)CCO3)CC2)[nH+]c1 ZINC000173173244 416053460 /nfs/dbraw/zinc/05/34/60/416053460.db2.gz SFJOJWUDKPJRIQ-OAHLLOKOSA-N 2 2 318.421 0.806 10 0 DCAELP Cc1ccc(N2CCC(NC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)[nH+]c1 ZINC000173173244 416053463 /nfs/dbraw/zinc/05/34/63/416053463.db2.gz SFJOJWUDKPJRIQ-OAHLLOKOSA-N 2 2 318.421 0.806 10 0 DCAELP C[C@@H](CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)C[NH+]1CCCC1 ZINC000173893662 416068524 /nfs/dbraw/zinc/06/85/24/416068524.db2.gz FHBJUUCBZLOZPA-HOTGVXAUSA-N 2 2 324.469 0.834 10 0 DCAELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000174749687 416085729 /nfs/dbraw/zinc/08/57/29/416085729.db2.gz ZOGYMGBXCVNDRM-RBSFLKMASA-N 2 2 310.442 0.585 10 0 DCAELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000174749687 416085732 /nfs/dbraw/zinc/08/57/32/416085732.db2.gz ZOGYMGBXCVNDRM-RBSFLKMASA-N 2 2 310.442 0.585 10 0 DCAELP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000174749687 416085734 /nfs/dbraw/zinc/08/57/34/416085734.db2.gz ZOGYMGBXCVNDRM-RBSFLKMASA-N 2 2 310.442 0.585 10 0 DCAELP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000174749687 416085739 /nfs/dbraw/zinc/08/57/39/416085739.db2.gz ZOGYMGBXCVNDRM-RBSFLKMASA-N 2 2 310.442 0.585 10 0 DCAELP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCC[NH+]1CCOCC1 ZINC000175513554 416108899 /nfs/dbraw/zinc/10/88/99/416108899.db2.gz OXYVNFJNZPCMSE-HNNXBMFYSA-N 2 2 321.425 0.698 10 0 DCAELP CC[C@@H](O)C[NH+]1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000183563703 416245713 /nfs/dbraw/zinc/24/57/13/416245713.db2.gz MNHAPMMIGMAOKQ-CYBMUJFWSA-N 2 2 306.410 0.676 10 0 DCAELP C[C@@H]1CCC[N@H+](CCNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000246805479 287350520 /nfs/dbraw/zinc/35/05/20/287350520.db2.gz BIELXPUDAVKABF-HZPDHXFCSA-N 2 2 324.469 0.834 10 0 DCAELP C[C@@H]1CCC[N@@H+](CCNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000246805479 287350521 /nfs/dbraw/zinc/35/05/21/287350521.db2.gz BIELXPUDAVKABF-HZPDHXFCSA-N 2 2 324.469 0.834 10 0 DCAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@@H](O)Cn1ccnn1 ZINC000459699604 272004967 /nfs/dbraw/zinc/00/49/67/272004967.db2.gz OOFVROZVVKNQNY-DJIMGWMZSA-N 2 2 315.421 0.749 10 0 DCAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@@H](O)Cn1ccnn1 ZINC000459699604 272004970 /nfs/dbraw/zinc/00/49/70/272004970.db2.gz OOFVROZVVKNQNY-DJIMGWMZSA-N 2 2 315.421 0.749 10 0 DCAELP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)CC1 ZINC000127865874 277090373 /nfs/dbraw/zinc/09/03/73/277090373.db2.gz CZYISAQAWVFGGV-CABCVRRESA-N 2 2 305.426 0.730 10 0 DCAELP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261912261 279312927 /nfs/dbraw/zinc/31/29/27/279312927.db2.gz JFCULTUUFDIFLY-QBPKDAKJSA-N 3 2 310.486 0.369 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H](CO)c2ccccc2)CC1 ZINC000182919634 279343263 /nfs/dbraw/zinc/34/32/63/279343263.db2.gz VIAYUWPDJYUEPF-ZBFHGGJFSA-N 2 2 305.422 0.862 10 0 DCAELP C[N@H+]1CC=C(CNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000553697518 288305823 /nfs/dbraw/zinc/30/58/23/288305823.db2.gz YNQZHAJGJSTJBP-UHFFFAOYSA-N 2 2 313.361 0.651 10 0 DCAELP C[N@@H+]1CC=C(CNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000553697518 288305824 /nfs/dbraw/zinc/30/58/24/288305824.db2.gz YNQZHAJGJSTJBP-UHFFFAOYSA-N 2 2 313.361 0.651 10 0 DCAELP C[C@@H](CNC(=O)N1CC[NH+](C2CC2)CC1)C[NH+]1CCOCC1 ZINC000163552328 524666749 /nfs/dbraw/zinc/66/67/49/524666749.db2.gz PXSURWVSXSTYEI-AWEZNQCLSA-N 2 2 310.442 0.444 10 0 DCAELP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2[NH2+]CCc3ccccc32)C[C@@H]1C ZINC000252671379 545974822 /nfs/dbraw/zinc/97/48/22/545974822.db2.gz OPCXVPZVFATEAW-GRDNDAEWSA-N 2 2 317.433 0.787 10 0 DCAELP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2[NH2+]CCc3ccccc32)C[C@@H]1C ZINC000252671379 545974827 /nfs/dbraw/zinc/97/48/27/545974827.db2.gz OPCXVPZVFATEAW-GRDNDAEWSA-N 2 2 317.433 0.787 10 0 DCAELP CCOc1c(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)c(C)nn1CC(C)C ZINC000262087884 545978377 /nfs/dbraw/zinc/97/83/77/545978377.db2.gz GJPTWFNIWQHKGV-ZFWWWQNUSA-N 2 2 310.442 0.916 10 0 DCAELP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)NCCn2cc[nH+]c2)CC1 ZINC000181526907 199311858 /nfs/dbraw/zinc/31/18/58/199311858.db2.gz UZHKDXQZSBAOBR-AWEZNQCLSA-N 2 2 323.441 0.617 10 0 DCAELP Cn1ccnc1C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000280015111 215312663 /nfs/dbraw/zinc/31/26/63/215312663.db2.gz USCDZBFBMMIWLH-STQMWFEESA-N 2 2 306.389 0.856 10 0 DCAELP CN(C)C(=O)[C@H]1CCC[NH+]1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000157377960 291228216 /nfs/dbraw/zinc/22/82/16/291228216.db2.gz HYWMOMGXWNGUJP-HUUCEWRRSA-N 2 2 324.469 0.482 10 0 DCAELP CO[C@@H]1CC[C@@H]2OCC[N@H+](CC(=O)N3CC[NH+](C)CC3)[C@H]2C1 ZINC000093208860 395736853 /nfs/dbraw/zinc/73/68/53/395736853.db2.gz ZCIJUNJYDOZMKA-ILXRZTDVSA-N 2 2 311.426 0.029 10 0 DCAELP CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC(=O)N3CC[NH+](C)CC3)[C@H]2C1 ZINC000093208860 395736854 /nfs/dbraw/zinc/73/68/54/395736854.db2.gz ZCIJUNJYDOZMKA-ILXRZTDVSA-N 2 2 311.426 0.029 10 0 DCAELP COC(=O)CCNC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195515800 395830476 /nfs/dbraw/zinc/83/04/76/395830476.db2.gz IKKFHDQBUJEBBT-ZDUSSCGKSA-N 2 2 320.393 0.495 10 0 DCAELP COC(=O)CCNC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195515800 395830480 /nfs/dbraw/zinc/83/04/80/395830480.db2.gz IKKFHDQBUJEBBT-ZDUSSCGKSA-N 2 2 320.393 0.495 10 0 DCAELP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NC(=O)NC1CC1 ZINC000195515758 395830530 /nfs/dbraw/zinc/83/05/30/395830530.db2.gz OMKUUSHHLJBUFT-GFCCVEGCSA-N 2 2 317.393 0.804 10 0 DCAELP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NC(=O)NC1CC1 ZINC000195515758 395830534 /nfs/dbraw/zinc/83/05/34/395830534.db2.gz OMKUUSHHLJBUFT-GFCCVEGCSA-N 2 2 317.393 0.804 10 0 DCAELP COc1cc[nH+]cc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000245471086 395929915 /nfs/dbraw/zinc/92/99/15/395929915.db2.gz XCMRTQQAPMUHTK-NEPJUHHUSA-N 2 2 318.377 0.724 10 0 DCAELP COc1cc[nH+]cc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000245471086 395929919 /nfs/dbraw/zinc/92/99/19/395929919.db2.gz XCMRTQQAPMUHTK-NEPJUHHUSA-N 2 2 318.377 0.724 10 0 DCAELP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000246372042 395948185 /nfs/dbraw/zinc/94/81/85/395948185.db2.gz QIMAKTPBFBSKMT-XHSDSOJGSA-N 2 2 324.469 0.975 10 0 DCAELP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000246372042 395948187 /nfs/dbraw/zinc/94/81/87/395948187.db2.gz QIMAKTPBFBSKMT-XHSDSOJGSA-N 2 2 324.469 0.975 10 0 DCAELP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000246956844 395961751 /nfs/dbraw/zinc/96/17/51/395961751.db2.gz KXKLZIIKAAIZGA-JKSUJKDBSA-N 2 2 324.469 0.977 10 0 DCAELP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000246956844 395961753 /nfs/dbraw/zinc/96/17/53/395961753.db2.gz KXKLZIIKAAIZGA-JKSUJKDBSA-N 2 2 324.469 0.977 10 0 DCAELP C[C@]1(C[NH3+])CC[N@H+](CC(=O)NCCN2CCc3ccccc32)C1 ZINC000261784854 396065781 /nfs/dbraw/zinc/06/57/81/396065781.db2.gz NESRLZIUTIRDOR-GOSISDBHSA-N 2 2 316.449 0.836 10 0 DCAELP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)NCCN2CCc3ccccc32)C1 ZINC000261784854 396065785 /nfs/dbraw/zinc/06/57/85/396065785.db2.gz NESRLZIUTIRDOR-GOSISDBHSA-N 2 2 316.449 0.836 10 0 DCAELP CCNC(=O)CN(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000262173090 396107260 /nfs/dbraw/zinc/10/72/60/396107260.db2.gz VKHKZSYPBIPJTH-ZDUSSCGKSA-N 2 2 305.426 0.500 10 0 DCAELP COC[C@H]([NH3+])C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000262320836 396123829 /nfs/dbraw/zinc/12/38/29/396123829.db2.gz QIGCGGMCQGLUMM-OBJOEFQTSA-N 2 2 322.409 0.285 10 0 DCAELP C[C@@]1(CN2CC[NH+](CC(=O)N3CCCCC3)CC2)CC[NH2+]C1 ZINC000261888443 396076038 /nfs/dbraw/zinc/07/60/38/396076038.db2.gz SNBWPSGFZLDZOE-QGZVFWFLSA-N 2 2 308.470 0.616 10 0 DCAELP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000262569099 396157120 /nfs/dbraw/zinc/15/71/20/396157120.db2.gz XEFDJJCJOIPBOA-LMOYCYGVSA-N 2 2 306.410 0.920 10 0 DCAELP COCCOc1cc2c(cc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O)OCO2 ZINC000263263112 396210546 /nfs/dbraw/zinc/21/05/46/396210546.db2.gz RFQULHXUWLORKB-CHWSQXEVSA-N 2 2 324.377 0.110 10 0 DCAELP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000075860108 396188018 /nfs/dbraw/zinc/18/80/18/396188018.db2.gz WEVVHLBGKAWGLF-GJZGRUSLSA-N 2 2 324.469 0.517 10 0 DCAELP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000075860108 396188020 /nfs/dbraw/zinc/18/80/20/396188020.db2.gz WEVVHLBGKAWGLF-GJZGRUSLSA-N 2 2 324.469 0.517 10 0 DCAELP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000075860108 396188022 /nfs/dbraw/zinc/18/80/22/396188022.db2.gz WEVVHLBGKAWGLF-GJZGRUSLSA-N 2 2 324.469 0.517 10 0 DCAELP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000075860108 396188023 /nfs/dbraw/zinc/18/80/23/396188023.db2.gz WEVVHLBGKAWGLF-GJZGRUSLSA-N 2 2 324.469 0.517 10 0 DCAELP CCn1cc[nH+]c1CN(C(=O)C1C[NH2+]C1)[C@H]1CC12CC[NH2+]CC2 ZINC000262953160 396193995 /nfs/dbraw/zinc/19/39/95/396193995.db2.gz OZIAUJHLUFHOEW-AWEZNQCLSA-N 3 2 317.437 0.593 10 0 DCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263025964 396198262 /nfs/dbraw/zinc/19/82/62/396198262.db2.gz RKHZBIIHDLJOHZ-VXGBXAGGSA-N 2 2 305.369 0.457 10 0 DCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263025964 396198267 /nfs/dbraw/zinc/19/82/67/396198267.db2.gz RKHZBIIHDLJOHZ-VXGBXAGGSA-N 2 2 305.369 0.457 10 0 DCAELP Oc1ccc(Br)c(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000263158290 396203657 /nfs/dbraw/zinc/20/36/57/396203657.db2.gz DPNVXQWCVXGCHR-SKDRFNHKSA-N 2 2 301.184 0.825 10 0 DCAELP O=C1C[C@@H]([NH2+][C@@H]2CCCSC2)CN1CC[NH+]1CCOCC1 ZINC000183610004 396271868 /nfs/dbraw/zinc/27/18/68/396271868.db2.gz WCXSUNSFYDEEQJ-ZIAGYGMSSA-N 2 2 313.467 0.405 10 0 DCAELP C[C@H]([NH3+])CCC(=O)N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000193293141 396448040 /nfs/dbraw/zinc/44/80/40/396448040.db2.gz WJYCZYBNYFMLKR-AWEZNQCLSA-N 2 2 310.442 0.271 10 0 DCAELP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000560989857 396627225 /nfs/dbraw/zinc/62/72/25/396627225.db2.gz QIEVHJDZZAFURS-NSHDSACASA-N 2 2 303.366 0.729 10 0 DCAELP c1nc(N2CCC[N@@H+](C3CC3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000302916634 396724424 /nfs/dbraw/zinc/72/44/24/396724424.db2.gz WHFOOZQQKKGLAP-UHFFFAOYSA-N 2 2 303.410 0.988 10 0 DCAELP c1nc(N2CCC[N@H+](C3CC3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000302916634 396724427 /nfs/dbraw/zinc/72/44/27/396724427.db2.gz WHFOOZQQKKGLAP-UHFFFAOYSA-N 2 2 303.410 0.988 10 0 DCAELP c1c(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)nnn1C[C@H]1CCOC1 ZINC000631040804 397159974 /nfs/dbraw/zinc/15/99/74/397159974.db2.gz VJHVKNWEUYUBSV-ZIAGYGMSSA-N 2 2 305.426 0.889 10 0 DCAELP c1c(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)nnn1C[C@H]1CCOC1 ZINC000631040804 397159977 /nfs/dbraw/zinc/15/99/77/397159977.db2.gz VJHVKNWEUYUBSV-ZIAGYGMSSA-N 2 2 305.426 0.889 10 0 DCAELP C[C@H]1CCOCC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000368130614 397414643 /nfs/dbraw/zinc/41/46/43/397414643.db2.gz DLOJRKWSKTZKCB-AWEZNQCLSA-N 2 2 305.426 0.839 10 0 DCAELP C[C@H]1CCOCC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000368130614 397414645 /nfs/dbraw/zinc/41/46/45/397414645.db2.gz DLOJRKWSKTZKCB-AWEZNQCLSA-N 2 2 305.426 0.839 10 0 DCAELP C[C@@H]1C[N@@H+](C2CCN(C(=O)NCCn3cc[nH+]c3)CC2)CCO1 ZINC000079573613 158078344 /nfs/dbraw/zinc/07/83/44/158078344.db2.gz ROQPUHCAQNHDOM-CQSZACIVSA-N 2 2 321.425 0.778 10 0 DCAELP C[C@@H]1C[N@H+](C2CCN(C(=O)NCCn3cc[nH+]c3)CC2)CCO1 ZINC000079573613 158078347 /nfs/dbraw/zinc/07/83/47/158078347.db2.gz ROQPUHCAQNHDOM-CQSZACIVSA-N 2 2 321.425 0.778 10 0 DCAELP CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](C)[NH+]2CCOCC2)C1 ZINC000097174560 158125866 /nfs/dbraw/zinc/12/58/66/158125866.db2.gz DEILFHYHIBLOID-HUUCEWRRSA-N 2 2 312.458 0.738 10 0 DCAELP CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@H](C)[NH+]2CCOCC2)C1 ZINC000097174560 158125868 /nfs/dbraw/zinc/12/58/68/158125868.db2.gz DEILFHYHIBLOID-HUUCEWRRSA-N 2 2 312.458 0.738 10 0 DCAELP CN1CC[C@@H]([NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1=O ZINC000119549622 158188966 /nfs/dbraw/zinc/18/89/66/158188966.db2.gz RQPHGFREFOZJAP-VFSICIBPSA-N 2 2 306.454 0.460 10 0 DCAELP CN1CC[C@@H]([NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1=O ZINC000119549622 158188968 /nfs/dbraw/zinc/18/89/68/158188968.db2.gz RQPHGFREFOZJAP-VFSICIBPSA-N 2 2 306.454 0.460 10 0 DCAELP CN1CC[C@@H](N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1=O ZINC000119549622 158188970 /nfs/dbraw/zinc/18/89/70/158188970.db2.gz RQPHGFREFOZJAP-VFSICIBPSA-N 2 2 306.454 0.460 10 0 DCAELP CN1CC[C@@H](N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1=O ZINC000119549622 158188972 /nfs/dbraw/zinc/18/89/72/158188972.db2.gz RQPHGFREFOZJAP-VFSICIBPSA-N 2 2 306.454 0.460 10 0 DCAELP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cncnc3)CC2)CC1 ZINC000119996870 158191776 /nfs/dbraw/zinc/19/17/76/158191776.db2.gz WBKJSCXDZCTVSY-UHFFFAOYSA-N 2 2 317.437 0.853 10 0 DCAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)NCCCN2CCCC2=O)CC[N@@H+]1C ZINC000123696366 158233116 /nfs/dbraw/zinc/23/31/16/158233116.db2.gz IYVLZTUWAXLFMM-HUUCEWRRSA-N 2 2 324.469 0.530 10 0 DCAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)NCCCN2CCCC2=O)CC[N@H+]1C ZINC000123696366 158233117 /nfs/dbraw/zinc/23/31/17/158233117.db2.gz IYVLZTUWAXLFMM-HUUCEWRRSA-N 2 2 324.469 0.530 10 0 DCAELP C[C@@H]1C[C@H]([N@H+](C)CC(=O)NCCCN2CCCC2=O)CC[NH+]1C ZINC000123696366 158233120 /nfs/dbraw/zinc/23/31/20/158233120.db2.gz IYVLZTUWAXLFMM-HUUCEWRRSA-N 2 2 324.469 0.530 10 0 DCAELP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)NCCCN2CCCC2=O)CC[NH+]1C ZINC000123696366 158233121 /nfs/dbraw/zinc/23/31/21/158233121.db2.gz IYVLZTUWAXLFMM-HUUCEWRRSA-N 2 2 324.469 0.530 10 0 DCAELP O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccc2[nH+]ccn2c1 ZINC000172249863 158392010 /nfs/dbraw/zinc/39/20/10/158392010.db2.gz UFZCXYXVLBUPET-CQSZACIVSA-N 2 2 300.362 0.927 10 0 DCAELP O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1ccc2[nH+]ccn2c1 ZINC000172249863 158392013 /nfs/dbraw/zinc/39/20/13/158392013.db2.gz UFZCXYXVLBUPET-CQSZACIVSA-N 2 2 300.362 0.927 10 0 DCAELP CN(C)c1noc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)n1 ZINC000192754004 287059850 /nfs/dbraw/zinc/05/98/50/287059850.db2.gz XUIANNYQTSOPPD-UHFFFAOYSA-N 2 2 324.429 0.025 10 0 DCAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](C)C(=O)N(C)C)[C@@H](C)C1 ZINC000245435296 287069067 /nfs/dbraw/zinc/06/90/67/287069067.db2.gz QIDAKDUIADMQQQ-MJBXVCDLSA-N 2 2 312.458 0.241 10 0 DCAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](C)C(=O)N(C)C)[C@@H](C)C1 ZINC000245435296 287069069 /nfs/dbraw/zinc/06/90/69/287069069.db2.gz QIDAKDUIADMQQQ-MJBXVCDLSA-N 2 2 312.458 0.241 10 0 DCAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@H](C)C(=O)N(C)C)[C@@H](C)C1 ZINC000245435296 287069072 /nfs/dbraw/zinc/06/90/72/287069072.db2.gz QIDAKDUIADMQQQ-MJBXVCDLSA-N 2 2 312.458 0.241 10 0 DCAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@H](C)C(=O)N(C)C)[C@@H](C)C1 ZINC000245435296 287069075 /nfs/dbraw/zinc/06/90/75/287069075.db2.gz QIDAKDUIADMQQQ-MJBXVCDLSA-N 2 2 312.458 0.241 10 0 DCAELP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000275445352 415376513 /nfs/dbraw/zinc/37/65/13/415376513.db2.gz WBVBMZRIXWMYAU-KBPBESRZSA-N 2 2 321.425 0.465 10 0 DCAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCC(=O)N2CCCC2)[C@H](C)C1 ZINC000081094963 415485159 /nfs/dbraw/zinc/48/51/59/415485159.db2.gz JXCRVQAUCITWQR-CABCVRRESA-N 2 2 324.469 0.387 10 0 DCAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCC(=O)N2CCCC2)[C@H](C)C1 ZINC000081094963 415485162 /nfs/dbraw/zinc/48/51/62/415485162.db2.gz JXCRVQAUCITWQR-CABCVRRESA-N 2 2 324.469 0.387 10 0 DCAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCC(=O)N2CCCC2)[C@H](C)C1 ZINC000081094963 415485167 /nfs/dbraw/zinc/48/51/67/415485167.db2.gz JXCRVQAUCITWQR-CABCVRRESA-N 2 2 324.469 0.387 10 0 DCAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCC(=O)N2CCCC2)[C@H](C)C1 ZINC000081094963 415485169 /nfs/dbraw/zinc/48/51/69/415485169.db2.gz JXCRVQAUCITWQR-CABCVRRESA-N 2 2 324.469 0.387 10 0 DCAELP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)CCO1 ZINC000333456589 415657054 /nfs/dbraw/zinc/65/70/54/415657054.db2.gz OQIKROYKSDVTRT-UONOGXRCSA-N 2 2 321.425 0.733 10 0 DCAELP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000111228288 415693390 /nfs/dbraw/zinc/69/33/90/415693390.db2.gz WJPARJAXUYXUDM-HNNXBMFYSA-N 2 2 307.442 0.637 10 0 DCAELP CC(C)[N@H+]1CCO[C@@H](CN2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000111228288 415693393 /nfs/dbraw/zinc/69/33/93/415693393.db2.gz WJPARJAXUYXUDM-HNNXBMFYSA-N 2 2 307.442 0.637 10 0 DCAELP CC[NH+]1CCN([C@H](C)CNC(=O)[C@H]2CCCn3cc[nH+]c32)CC1 ZINC000175152951 416098095 /nfs/dbraw/zinc/09/80/95/416098095.db2.gz PSGTUWOJBSICAA-CABCVRRESA-N 2 2 319.453 0.903 10 0 DCAELP CCC[N@H+](CC)CCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000175760943 416111680 /nfs/dbraw/zinc/11/16/80/416111680.db2.gz IMCBFYXQXOANOS-OAHLLOKOSA-N 2 2 312.458 0.834 10 0 DCAELP CCC[N@@H+](CC)CCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000175760943 416111683 /nfs/dbraw/zinc/11/16/83/416111683.db2.gz IMCBFYXQXOANOS-OAHLLOKOSA-N 2 2 312.458 0.834 10 0 DCAELP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178971367 416179103 /nfs/dbraw/zinc/17/91/03/416179103.db2.gz ACRKDJTTZTUXJW-CQSZACIVSA-N 2 2 305.426 0.513 10 0 DCAELP COCCCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000179162181 416182301 /nfs/dbraw/zinc/18/23/01/416182301.db2.gz MKUUKPZWSLMJIW-XYPWUTKMSA-N 2 2 324.469 0.975 10 0 DCAELP COCCCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000179162181 416182304 /nfs/dbraw/zinc/18/23/04/416182304.db2.gz MKUUKPZWSLMJIW-XYPWUTKMSA-N 2 2 324.469 0.975 10 0 DCAELP CC1=CC[N@H+](CCNC(=O)NC[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000358212187 416211534 /nfs/dbraw/zinc/21/15/34/416211534.db2.gz MBTMACDBOZJDFJ-OAHLLOKOSA-N 2 2 310.442 0.658 10 0 DCAELP CC1=CC[N@@H+](CCNC(=O)NC[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000358212187 416211540 /nfs/dbraw/zinc/21/15/40/416211540.db2.gz MBTMACDBOZJDFJ-OAHLLOKOSA-N 2 2 310.442 0.658 10 0 DCAELP Cn1ccc(CC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000183349934 416239877 /nfs/dbraw/zinc/23/98/77/416239877.db2.gz HTUOGXXXUZVTEP-UHFFFAOYSA-N 2 2 319.453 0.637 10 0 DCAELP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC000365978208 416611696 /nfs/dbraw/zinc/61/16/96/416611696.db2.gz LGVOJWHTCYPLSB-FRRDWIJNSA-N 2 2 306.410 0.743 10 0 DCAELP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC000365978208 416611701 /nfs/dbraw/zinc/61/17/01/416611701.db2.gz LGVOJWHTCYPLSB-FRRDWIJNSA-N 2 2 306.410 0.743 10 0 DCAELP CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369258256 416737290 /nfs/dbraw/zinc/73/72/90/416737290.db2.gz VFIOGDLHBILJDB-ZBFHGGJFSA-N 2 2 322.453 0.282 10 0 DCAELP CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369258256 416737293 /nfs/dbraw/zinc/73/72/93/416737293.db2.gz VFIOGDLHBILJDB-ZBFHGGJFSA-N 2 2 322.453 0.282 10 0 DCAELP O=C(C[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1)N1CCNC1=O ZINC000432098902 417159090 /nfs/dbraw/zinc/15/90/90/417159090.db2.gz ZTDLMVJKOGSUII-LBPRGKRZSA-N 2 2 317.393 0.561 10 0 DCAELP O=C(C[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1)N1CCNC1=O ZINC000432098902 417159096 /nfs/dbraw/zinc/15/90/96/417159096.db2.gz ZTDLMVJKOGSUII-LBPRGKRZSA-N 2 2 317.393 0.561 10 0 DCAELP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000638274379 417400665 /nfs/dbraw/zinc/40/06/65/417400665.db2.gz HTQJKUPGKYBKJB-HOTGVXAUSA-N 2 2 304.438 0.608 10 0 DCAELP C[C@@H](CNC(=O)NCCC[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000193202918 261140978 /nfs/dbraw/zinc/14/09/78/261140978.db2.gz NFZVSMASVJPCGV-HNNXBMFYSA-N 2 2 312.458 0.882 10 0 DCAELP C[C@@H]1C[C@H](NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C[N@@H+]1C1CC1 ZINC000127539437 278020234 /nfs/dbraw/zinc/02/02/34/278020234.db2.gz RZSKFEKVZYILLV-YCPHGPKFSA-N 2 2 322.453 0.728 10 0 DCAELP C[C@@H]1C[C@H](NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C[N@H+]1C1CC1 ZINC000127539437 278020235 /nfs/dbraw/zinc/02/02/35/278020235.db2.gz RZSKFEKVZYILLV-YCPHGPKFSA-N 2 2 322.453 0.728 10 0 DCAELP C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C1 ZINC000551987766 288255600 /nfs/dbraw/zinc/25/56/00/288255600.db2.gz CTCDEYFLEFBEDL-BNOWGMLFSA-N 2 2 304.394 0.761 10 0 DCAELP C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)C1CC1 ZINC000553089045 288286550 /nfs/dbraw/zinc/28/65/50/288286550.db2.gz XHGBCWLSNCGMOK-CYBMUJFWSA-N 2 2 315.377 0.729 10 0 DCAELP C[NH+](C)CCN1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000364998853 521762935 /nfs/dbraw/zinc/76/29/35/521762935.db2.gz UWTXNUGOWHLFKX-AWEZNQCLSA-N 2 2 305.426 0.151 10 0 DCAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2nnnn2C)nc[nH+]1 ZINC000189849191 522571558 /nfs/dbraw/zinc/57/15/58/522571558.db2.gz WFCYIVUGBOTVFT-QWRGUYRKSA-N 2 2 317.401 0.361 10 0 DCAELP Cc1noc(C[C@@]2(O)CCC[N@@H+](CCc3c[nH+]cn3C)C2)n1 ZINC000886079712 667729616 /nfs/dbraw/zinc/72/96/16/667729616.db2.gz WSFCEDMFTNJTKD-HNNXBMFYSA-N 2 2 305.382 0.724 10 0 DCAELP Cc1noc(C[C@@]2(O)CCC[N@H+](CCc3c[nH+]cn3C)C2)n1 ZINC000886079712 667729619 /nfs/dbraw/zinc/72/96/19/667729619.db2.gz WSFCEDMFTNJTKD-HNNXBMFYSA-N 2 2 305.382 0.724 10 0 DCAELP Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+]C2CC[NH+](C)CC2)CC(=O)N1C ZINC000330199837 282265950 /nfs/dbraw/zinc/26/59/50/282265950.db2.gz VYGHFWQOABHSSO-RHSMWYFYSA-N 2 2 319.453 0.993 10 0 DCAELP C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H]1c1ccccc1 ZINC000248145005 283053929 /nfs/dbraw/zinc/05/39/29/283053929.db2.gz ZJQXRRCEYUVXMN-PMPSAXMXSA-N 2 2 303.406 0.879 10 0 DCAELP C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H]1c1ccccc1 ZINC000248145005 283053930 /nfs/dbraw/zinc/05/39/30/283053930.db2.gz ZJQXRRCEYUVXMN-PMPSAXMXSA-N 2 2 303.406 0.879 10 0 DCAELP C[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H]1c1ccccc1 ZINC000248145005 283053931 /nfs/dbraw/zinc/05/39/31/283053931.db2.gz ZJQXRRCEYUVXMN-PMPSAXMXSA-N 2 2 303.406 0.879 10 0 DCAELP C[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H]1c1ccccc1 ZINC000248145005 283053932 /nfs/dbraw/zinc/05/39/32/283053932.db2.gz ZJQXRRCEYUVXMN-PMPSAXMXSA-N 2 2 303.406 0.879 10 0 DCAELP C[C@H](C(=O)N(C)C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119618675 195003755 /nfs/dbraw/zinc/00/37/55/195003755.db2.gz HCNVJLOHLRUROU-JZWPEALZSA-N 2 2 308.470 0.706 10 0 DCAELP C[C@H](C(=O)N(C)C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119618675 195003756 /nfs/dbraw/zinc/00/37/56/195003756.db2.gz HCNVJLOHLRUROU-JZWPEALZSA-N 2 2 308.470 0.706 10 0 DCAELP C[C@H](C(=O)N(C)C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119618675 195003758 /nfs/dbraw/zinc/00/37/58/195003758.db2.gz HCNVJLOHLRUROU-JZWPEALZSA-N 2 2 308.470 0.706 10 0 DCAELP C[C@H](C(=O)N(C)C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119618675 195003760 /nfs/dbraw/zinc/00/37/60/195003760.db2.gz HCNVJLOHLRUROU-JZWPEALZSA-N 2 2 308.470 0.706 10 0 DCAELP C[NH+](C)[C@H]1CCN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)C1 ZINC000277464803 130614455 /nfs/dbraw/zinc/61/44/55/130614455.db2.gz OKVNKIMKYFFUHW-UONOGXRCSA-N 2 2 305.426 0.968 10 0 DCAELP c1cn([C@@H]2COC[C@@H]2[NH2+]C2CCN(c3cccc[nH+]3)CC2)nn1 ZINC000284789512 285536993 /nfs/dbraw/zinc/53/69/93/285536993.db2.gz LITSNTZRROCGLI-LSDHHAIUSA-N 2 2 314.393 0.872 10 0 DCAELP C[N@H+]1C[C@@H]2C[NH+](CC(=O)NC(=O)Nc3ccccc3)C[C@@H]2C1 ZINC000193635212 395775897 /nfs/dbraw/zinc/77/58/97/395775897.db2.gz MYNUUNIQIDLROL-BETUJISGSA-N 2 2 302.378 0.828 10 0 DCAELP C[N@@H+]1C[C@@H]2C[NH+](CC(=O)NC(=O)Nc3ccccc3)C[C@@H]2C1 ZINC000193635212 395775899 /nfs/dbraw/zinc/77/58/99/395775899.db2.gz MYNUUNIQIDLROL-BETUJISGSA-N 2 2 302.378 0.828 10 0 DCAELP C[NH+]1C[C@@H]2C[N@@H+](CC(=O)NC(=O)Nc3ccccc3)C[C@@H]2C1 ZINC000193635212 395775901 /nfs/dbraw/zinc/77/59/01/395775901.db2.gz MYNUUNIQIDLROL-BETUJISGSA-N 2 2 302.378 0.828 10 0 DCAELP C[NH+]1C[C@@H]2C[N@H+](CC(=O)NC(=O)Nc3ccccc3)C[C@@H]2C1 ZINC000193635212 395775903 /nfs/dbraw/zinc/77/59/03/395775903.db2.gz MYNUUNIQIDLROL-BETUJISGSA-N 2 2 302.378 0.828 10 0 DCAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCC(=O)NCC(=O)OC)C1 ZINC000111229482 395803382 /nfs/dbraw/zinc/80/33/82/395803382.db2.gz XNEVZJBSLFORTH-CYBMUJFWSA-N 2 2 322.409 0.762 10 0 DCAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCC(=O)NCC(=O)OC)C1 ZINC000111229482 395803385 /nfs/dbraw/zinc/80/33/85/395803385.db2.gz XNEVZJBSLFORTH-CYBMUJFWSA-N 2 2 322.409 0.762 10 0 DCAELP C[C@@H]1C[C@@H](NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C[N@@H+]1C1CC1 ZINC000127539856 395915922 /nfs/dbraw/zinc/91/59/22/395915922.db2.gz RZSKFEKVZYILLV-FMKPAKJESA-N 2 2 322.453 0.728 10 0 DCAELP C[C@@H]1C[C@@H](NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C[N@H+]1C1CC1 ZINC000127539856 395915925 /nfs/dbraw/zinc/91/59/25/395915925.db2.gz RZSKFEKVZYILLV-FMKPAKJESA-N 2 2 322.453 0.728 10 0 DCAELP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@@H](O)CN2CCCC2=O)C1 ZINC000245687455 395934211 /nfs/dbraw/zinc/93/42/11/395934211.db2.gz VHDRZPOCLXXYSL-HUUCEWRRSA-N 2 2 320.437 0.658 10 0 DCAELP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@@H](O)CN2CCCC2=O)C1 ZINC000245687455 395934213 /nfs/dbraw/zinc/93/42/13/395934213.db2.gz VHDRZPOCLXXYSL-HUUCEWRRSA-N 2 2 320.437 0.658 10 0 DCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N[C@H](C)C(=O)N(C)C ZINC000246949345 395961735 /nfs/dbraw/zinc/96/17/35/395961735.db2.gz IADXLYROIJVUGH-TZMCWYRMSA-N 2 2 321.425 0.249 10 0 DCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N[C@H](C)C(=O)N(C)C ZINC000246949345 395961737 /nfs/dbraw/zinc/96/17/37/395961737.db2.gz IADXLYROIJVUGH-TZMCWYRMSA-N 2 2 321.425 0.249 10 0 DCAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H](C)[NH+]2CCOCC2)C1 ZINC000247440468 395973128 /nfs/dbraw/zinc/97/31/28/395973128.db2.gz RYOPFROOIRTSQV-ILXRZTDVSA-N 2 2 312.458 0.735 10 0 DCAELP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H](C)[NH+]2CCOCC2)C1 ZINC000247440468 395973131 /nfs/dbraw/zinc/97/31/31/395973131.db2.gz RYOPFROOIRTSQV-ILXRZTDVSA-N 2 2 312.458 0.735 10 0 DCAELP C[C@@H]1CCN(C(=O)NC[C@H]2C[N@H+](C)CCO2)C[C@H]1n1cc[nH+]c1 ZINC000247576670 395976820 /nfs/dbraw/zinc/97/68/20/395976820.db2.gz LRBQRXNNDDUQCB-QLFBSQMISA-N 2 2 321.425 0.806 10 0 DCAELP C[C@@H]1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)C[C@H]1n1cc[nH+]c1 ZINC000247576670 395976824 /nfs/dbraw/zinc/97/68/24/395976824.db2.gz LRBQRXNNDDUQCB-QLFBSQMISA-N 2 2 321.425 0.806 10 0 DCAELP C[NH2+]C1CC[NH+](CCOc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000261603080 396048247 /nfs/dbraw/zinc/04/82/47/396048247.db2.gz CGHDTHXROVIZRQ-UHFFFAOYSA-N 2 2 313.423 0.397 10 0 DCAELP Cc1ccc2[nH+]c(CN(C)CC(=O)N3CC[NH2+]CC3)cn2c1 ZINC000261850950 396072746 /nfs/dbraw/zinc/07/27/46/396072746.db2.gz DMVDJBLCUZTUTK-UHFFFAOYSA-N 2 2 301.394 0.506 10 0 DCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173864513 396136193 /nfs/dbraw/zinc/13/61/93/396136193.db2.gz KOEVIFXODUPATD-CABCVRRESA-N 2 2 308.426 0.363 10 0 DCAELP C([NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)c1nnc2n1CCCC2 ZINC000261956942 396084480 /nfs/dbraw/zinc/08/44/80/396084480.db2.gz OZZBPTAMNCXNHX-MGPQQGTHSA-N 2 2 305.426 0.861 10 0 DCAELP COC1CC[NH+](C(C)(C)CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263184194 396205100 /nfs/dbraw/zinc/20/51/00/396205100.db2.gz HCUUHOYJTPNYMR-LBPRGKRZSA-N 2 2 319.396 0.989 10 0 DCAELP Cc1nn2c(C[NH2+]C[C@H]3C[NH2+]C[C@H]3O)c(C(C)C)nc2s1 ZINC000263263107 396209961 /nfs/dbraw/zinc/20/99/61/396209961.db2.gz RFQLLCHARGLHTI-CMPLNLGQSA-N 2 2 309.439 0.893 10 0 DCAELP COCCOc1cc2c(cc1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O)OCO2 ZINC000263263115 396210272 /nfs/dbraw/zinc/21/02/72/396210272.db2.gz RFQULHXUWLORKB-STQMWFEESA-N 2 2 324.377 0.110 10 0 DCAELP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@H+](C)[C@H]1CCNC1=O ZINC000279594169 396185922 /nfs/dbraw/zinc/18/59/22/396185922.db2.gz DTOBNQVYIWGFNB-AVGNSLFASA-N 2 2 309.389 0.153 10 0 DCAELP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)[C@H]1CCNC1=O ZINC000279594169 396185924 /nfs/dbraw/zinc/18/59/24/396185924.db2.gz DTOBNQVYIWGFNB-AVGNSLFASA-N 2 2 309.389 0.153 10 0 DCAELP CC[C@@H]1CN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000263105658 396201409 /nfs/dbraw/zinc/20/14/09/396201409.db2.gz ZUPHGUKUPZWQQG-AGIUHOORSA-N 2 2 317.380 0.553 10 0 DCAELP COC[C@@H](C)C[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000187766073 396373360 /nfs/dbraw/zinc/37/33/60/396373360.db2.gz HZFYJYQZUNZVLF-HNNXBMFYSA-N 2 2 320.437 0.992 10 0 DCAELP Cc1ccc(N2CCC(NC(=O)[C@H]3C[NH2+]CCO3)CC2)[nH+]c1 ZINC000188278361 396381296 /nfs/dbraw/zinc/38/12/96/396381296.db2.gz DRJLKVLVXHEFQI-CQSZACIVSA-N 2 2 304.394 0.463 10 0 DCAELP COC(=O)[C@H](C(OC)OC)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000191446930 396419564 /nfs/dbraw/zinc/41/95/64/396419564.db2.gz GZTDYUQJKYFAIQ-CQSZACIVSA-N 2 2 314.426 0.955 10 0 DCAELP CN(C(=O)c1ccnnc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371121362 397545376 /nfs/dbraw/zinc/54/53/76/397545376.db2.gz UOCQAXSROSJAJR-HNNXBMFYSA-N 2 2 303.410 0.717 10 0 DCAELP CN(C(=O)c1ccnnc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371121362 397545383 /nfs/dbraw/zinc/54/53/83/397545383.db2.gz UOCQAXSROSJAJR-HNNXBMFYSA-N 2 2 303.410 0.717 10 0 DCAELP O=C(NCC[NH+]1CCOCC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000097394050 158125775 /nfs/dbraw/zinc/12/57/75/158125775.db2.gz FKHRCRDIKBVBPZ-UHFFFAOYSA-N 2 2 324.469 0.836 10 0 DCAELP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH+]1CCOCC1 ZINC000121682393 158213290 /nfs/dbraw/zinc/21/32/90/158213290.db2.gz DBMNZLVLCSJKJY-HZPDHXFCSA-N 2 2 309.454 0.897 10 0 DCAELP COC[C@H](C)NC(=O)NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123620795 158231966 /nfs/dbraw/zinc/23/19/66/158231966.db2.gz ZLNLGHIQMFWZAI-YNEHKIRRSA-N 2 2 314.430 0.262 10 0 DCAELP COC[C@H](C)NC(=O)NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123620795 158231968 /nfs/dbraw/zinc/23/19/68/158231968.db2.gz ZLNLGHIQMFWZAI-YNEHKIRRSA-N 2 2 314.430 0.262 10 0 DCAELP COC[C@H](C)NC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123620795 158231970 /nfs/dbraw/zinc/23/19/70/158231970.db2.gz ZLNLGHIQMFWZAI-YNEHKIRRSA-N 2 2 314.430 0.262 10 0 DCAELP COC[C@H](C)NC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123620795 158231972 /nfs/dbraw/zinc/23/19/72/158231972.db2.gz ZLNLGHIQMFWZAI-YNEHKIRRSA-N 2 2 314.430 0.262 10 0 DCAELP C[C@@H]1CN(C(=O)[C@@H]2CC23CC[NH2+]CC3)C[C@@H]1[NH+]1CCOCC1 ZINC000137270089 158345548 /nfs/dbraw/zinc/34/55/48/158345548.db2.gz CBIOUDZMJJQWBG-ILXRZTDVSA-N 2 2 307.438 0.555 10 0 DCAELP O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@H]1COCC[NH2+]1 ZINC000168845413 158372580 /nfs/dbraw/zinc/37/25/80/158372580.db2.gz NRLGCYLTRZUJSM-CQSZACIVSA-N 2 2 311.426 0.126 10 0 DCAELP C[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000329083963 159059982 /nfs/dbraw/zinc/05/99/82/159059982.db2.gz FMDNWSJENLCWCY-ZIAGYGMSSA-N 2 2 322.453 0.980 10 0 DCAELP C[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000329083963 159059983 /nfs/dbraw/zinc/05/99/83/159059983.db2.gz FMDNWSJENLCWCY-ZIAGYGMSSA-N 2 2 322.453 0.980 10 0 DCAELP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000079311856 286924407 /nfs/dbraw/zinc/92/44/07/286924407.db2.gz AEYQZDLLRFTATL-CABCVRRESA-N 2 2 314.474 0.983 10 0 DCAELP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000079311848 286924415 /nfs/dbraw/zinc/92/44/15/286924415.db2.gz AEYQZDLLRFTATL-GJZGRUSLSA-N 2 2 314.474 0.983 10 0 DCAELP C[C@H](CNC(=O)NCCCNc1cccc[nH+]1)[NH+]1CCOCC1 ZINC000046261523 415259729 /nfs/dbraw/zinc/25/97/29/415259729.db2.gz FJVAUXMUARKGQE-CQSZACIVSA-N 2 2 321.425 0.904 10 0 DCAELP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3CCCC[NH2+]C3)cn2)CC1 ZINC000333200956 415582298 /nfs/dbraw/zinc/58/22/98/415582298.db2.gz XSTUJDUEIVTAJX-OAHLLOKOSA-N 3 2 304.442 0.460 10 0 DCAELP CC[C@H](C(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1)[NH+](C)C ZINC000152002137 415965888 /nfs/dbraw/zinc/96/58/88/415965888.db2.gz BPFZYTVWIZWERT-JKSUJKDBSA-N 2 2 310.486 0.955 10 0 DCAELP C[C@H](CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)C[NH+]1CCCC1 ZINC000173893671 416067627 /nfs/dbraw/zinc/06/76/27/416067627.db2.gz FHBJUUCBZLOZPA-CVEARBPZSA-N 2 2 324.469 0.834 10 0 DCAELP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000175795126 416115032 /nfs/dbraw/zinc/11/50/32/416115032.db2.gz WKDABLRBMHDYPC-GJZGRUSLSA-N 2 2 313.442 0.226 10 0 DCAELP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000175795126 416115036 /nfs/dbraw/zinc/11/50/36/416115036.db2.gz WKDABLRBMHDYPC-GJZGRUSLSA-N 2 2 313.442 0.226 10 0 DCAELP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)CC1 ZINC000318764175 416117927 /nfs/dbraw/zinc/11/79/27/416117927.db2.gz LOHPRODKBKDVJV-OAGGEKHMSA-N 2 2 309.454 0.776 10 0 DCAELP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)CC1 ZINC000318764175 416117929 /nfs/dbraw/zinc/11/79/29/416117929.db2.gz LOHPRODKBKDVJV-OAGGEKHMSA-N 2 2 309.454 0.776 10 0 DCAELP C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)C1 ZINC000177498873 416145966 /nfs/dbraw/zinc/14/59/66/416145966.db2.gz KQYOHKOPSLVEFG-ZIAGYGMSSA-N 2 2 307.398 0.388 10 0 DCAELP C[N@H+](C[C@@H]1CNC(=O)O1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000368751358 416689717 /nfs/dbraw/zinc/68/97/17/416689717.db2.gz SJTPXKDYSFUSPJ-RDJZCZTQSA-N 2 2 319.405 0.664 10 0 DCAELP C[N@@H+](C[C@@H]1CNC(=O)O1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000368751358 416689719 /nfs/dbraw/zinc/68/97/19/416689719.db2.gz SJTPXKDYSFUSPJ-RDJZCZTQSA-N 2 2 319.405 0.664 10 0 DCAELP C[NH+](C[C@@H]1CNC(=O)O1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000368751358 416689723 /nfs/dbraw/zinc/68/97/23/416689723.db2.gz SJTPXKDYSFUSPJ-RDJZCZTQSA-N 2 2 319.405 0.664 10 0 DCAELP C[NH+](C[C@@H]1CNC(=O)O1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000368751358 416689725 /nfs/dbraw/zinc/68/97/25/416689725.db2.gz SJTPXKDYSFUSPJ-RDJZCZTQSA-N 2 2 319.405 0.664 10 0 DCAELP Cc1cc(NCC[NH+]2CCN(C(=O)C3CCC3)CC2)nc(C)[nH+]1 ZINC000556664130 416714003 /nfs/dbraw/zinc/71/40/03/416714003.db2.gz KLHRXORLCMPMCL-UHFFFAOYSA-N 2 2 317.437 1.450 10 0 DCAELP C[NH+](C)CCn1ccc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)n1 ZINC000581372769 417729342 /nfs/dbraw/zinc/72/93/42/417729342.db2.gz XHLNAKLTILMKGK-GFCCVEGCSA-N 2 2 302.382 0.842 10 0 DCAELP CCC[C@@H](C(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1)[NH+](C)C ZINC000179501599 261112769 /nfs/dbraw/zinc/11/27/69/261112769.db2.gz ONLKUAKLRAGHCC-KBPBESRZSA-N 2 2 313.442 0.813 10 0 DCAELP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000194891701 261149565 /nfs/dbraw/zinc/14/95/65/261149565.db2.gz XZHPMDPZAKZAJY-ZIAGYGMSSA-N 2 2 323.441 0.848 10 0 DCAELP CC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000247258441 279333115 /nfs/dbraw/zinc/33/31/15/279333115.db2.gz ZSBZUYCXIIBFFI-LSDHHAIUSA-N 2 2 310.442 0.587 10 0 DCAELP CC[N@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000247258441 279333116 /nfs/dbraw/zinc/33/31/16/279333116.db2.gz ZSBZUYCXIIBFFI-LSDHHAIUSA-N 2 2 310.442 0.587 10 0 DCAELP C[C@H](CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)[N@H+](C)C1CC1 ZINC000552723288 288279691 /nfs/dbraw/zinc/27/96/91/288279691.db2.gz AWAUTPOWKINVPO-LLVKDONJSA-N 2 2 315.377 0.872 10 0 DCAELP C[C@H](CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)[N@@H+](C)C1CC1 ZINC000552723288 288279692 /nfs/dbraw/zinc/27/96/92/288279692.db2.gz AWAUTPOWKINVPO-LLVKDONJSA-N 2 2 315.377 0.872 10 0 DCAELP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000552743545 288279859 /nfs/dbraw/zinc/27/98/59/288279859.db2.gz HLEWBRHCWCTKGE-ZDUSSCGKSA-N 2 2 315.377 0.873 10 0 DCAELP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000552743545 288279860 /nfs/dbraw/zinc/27/98/60/288279860.db2.gz HLEWBRHCWCTKGE-ZDUSSCGKSA-N 2 2 315.377 0.873 10 0 DCAELP C[N@H+](CCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)C1CC1 ZINC000552743500 288279962 /nfs/dbraw/zinc/27/99/62/288279962.db2.gz FZDUOPGGWGIPSF-UHFFFAOYSA-N 2 2 301.350 0.483 10 0 DCAELP C[N@@H+](CCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)C1CC1 ZINC000552743500 288279964 /nfs/dbraw/zinc/27/99/64/288279964.db2.gz FZDUOPGGWGIPSF-UHFFFAOYSA-N 2 2 301.350 0.483 10 0 DCAELP C[NH+](C)CCC[NH2+]CCC[NH2+]CCC[NH2+]CCC[NH+](C)C ZINC000033610839 289117257 /nfs/dbraw/zinc/11/72/57/289117257.db2.gz JSLHZPPSKXAHBR-UHFFFAOYSA-N 5 2 301.523 0.439 10 0 DCAELP C[C@@]1(C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)CC[NH2+]C1 ZINC000261910223 289164020 /nfs/dbraw/zinc/16/40/20/289164020.db2.gz YCQIZIBFKFYUNU-ZIAGYGMSSA-N 2 2 301.456 0.486 10 0 DCAELP C[C@@]1(C[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)CC[NH2+]C1 ZINC000261910223 289164023 /nfs/dbraw/zinc/16/40/23/289164023.db2.gz YCQIZIBFKFYUNU-ZIAGYGMSSA-N 2 2 301.456 0.486 10 0 DCAELP CCOc1ccnc(N2CC[NH+](CCn3cc[nH+]c3)CC2)n1 ZINC000163004182 521596992 /nfs/dbraw/zinc/59/69/92/521596992.db2.gz SSJPHOBOIAIIIQ-UHFFFAOYSA-N 2 2 302.382 0.894 10 0 DCAELP COc1cc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cc2c1OCCO2 ZINC000131406427 522462781 /nfs/dbraw/zinc/46/27/81/522462781.db2.gz MJEBYLOSFQNUJG-INIZCTEOSA-N 2 2 310.394 0.869 10 0 DCAELP C[C@H]([C@H](C)NC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)[NH+]1CCOCC1 ZINC000333364708 546078780 /nfs/dbraw/zinc/07/87/80/546078780.db2.gz LRDQGGDHRTYNPY-YJNKXOJESA-N 2 2 310.442 0.347 10 0 DCAELP CC(C)(C)OC(=O)N1CC[NH2+][C@@H](c2cnnn2[C@@H]2CC[NH2+]C2)C1 ZINC000685952192 548748716 /nfs/dbraw/zinc/74/87/16/548748716.db2.gz ZVFHWVQVIBETLL-VXGBXAGGSA-N 2 2 322.413 0.694 10 0 DCAELP O=S(=O)([C@H]1CCC[NH2+]C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000042341404 669827809 /nfs/dbraw/zinc/82/78/09/669827809.db2.gz CUXXXAHQGZHBQX-ZDUSSCGKSA-N 2 2 310.423 0.285 10 0 DCAELP CN1N=[O+]C(=O)C1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000083250912 192370115 /nfs/dbraw/zinc/37/01/15/192370115.db2.gz GXAYMNNXYNDVKG-UHFFFAOYSA-O 3 2 303.386 0.959 10 0 DCAELP Cc1cc(N2CCC[C@H]([NH2+]Cc3c[nH+]cn3C)C2=O)n(C)n1 ZINC000173854173 198261502 /nfs/dbraw/zinc/26/15/02/198261502.db2.gz ZGYVJVMKAXNNIH-ZDUSSCGKSA-N 2 2 302.382 0.747 10 0 DCAELP C[N@@H+]1CCO[C@H](CNC(=O)NCCC[NH2+]C2CCCCC2)C1 ZINC000105280490 194093199 /nfs/dbraw/zinc/09/31/99/194093199.db2.gz KLHQGIILLDOVAW-OAHLLOKOSA-N 2 2 312.458 0.929 10 0 DCAELP C[N@H+]1CCO[C@H](CNC(=O)NCCC[NH2+]C2CCCCC2)C1 ZINC000105280490 194093201 /nfs/dbraw/zinc/09/32/01/194093201.db2.gz KLHQGIILLDOVAW-OAHLLOKOSA-N 2 2 312.458 0.929 10 0 DCAELP C[C@H](CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)[NH+]1CCOCC1 ZINC000106430903 194212827 /nfs/dbraw/zinc/21/28/27/194212827.db2.gz FDSHIJINUXFQFQ-NVXWUHKLSA-N 2 2 319.449 0.996 10 0 DCAELP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000106582950 194233137 /nfs/dbraw/zinc/23/31/37/194233137.db2.gz LRLLFVSQHNHJLJ-HZPDHXFCSA-N 2 2 323.485 0.502 10 0 DCAELP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000106582950 194233139 /nfs/dbraw/zinc/23/31/39/194233139.db2.gz LRLLFVSQHNHJLJ-HZPDHXFCSA-N 2 2 323.485 0.502 10 0 DCAELP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000106582950 194233141 /nfs/dbraw/zinc/23/31/41/194233141.db2.gz LRLLFVSQHNHJLJ-HZPDHXFCSA-N 2 2 323.485 0.502 10 0 DCAELP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000106582950 194233142 /nfs/dbraw/zinc/23/31/42/194233142.db2.gz LRLLFVSQHNHJLJ-HZPDHXFCSA-N 2 2 323.485 0.502 10 0 DCAELP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193651054 395775710 /nfs/dbraw/zinc/77/57/10/395775710.db2.gz WSVXXVCRFMEJGN-KBXIAJHMSA-N 2 2 322.453 0.884 10 0 DCAELP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193651054 395775713 /nfs/dbraw/zinc/77/57/13/395775713.db2.gz WSVXXVCRFMEJGN-KBXIAJHMSA-N 2 2 322.453 0.884 10 0 DCAELP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193651054 395775716 /nfs/dbraw/zinc/77/57/16/395775716.db2.gz WSVXXVCRFMEJGN-KBXIAJHMSA-N 2 2 322.453 0.884 10 0 DCAELP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193651054 395775720 /nfs/dbraw/zinc/77/57/20/395775720.db2.gz WSVXXVCRFMEJGN-KBXIAJHMSA-N 2 2 322.453 0.884 10 0 DCAELP CC[C@@H]1CN(C(=O)NCCn2cc[nH+]c2)CC[N@@H+]1CCOC ZINC000117467772 395853349 /nfs/dbraw/zinc/85/33/49/395853349.db2.gz WGDSHMZKFDALRF-CQSZACIVSA-N 2 2 309.414 0.635 10 0 DCAELP CC[C@@H]1CN(C(=O)NCCn2cc[nH+]c2)CC[N@H+]1CCOC ZINC000117467772 395853353 /nfs/dbraw/zinc/85/33/53/395853353.db2.gz WGDSHMZKFDALRF-CQSZACIVSA-N 2 2 309.414 0.635 10 0 DCAELP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)N(C)CC(=O)NC2CC2)C1 ZINC000245441892 395928920 /nfs/dbraw/zinc/92/89/20/395928920.db2.gz HQHJDWMBPNPVRY-ZIAGYGMSSA-N 2 2 324.469 0.386 10 0 DCAELP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)N(C)CC(=O)NC2CC2)C1 ZINC000245441892 395928924 /nfs/dbraw/zinc/92/89/24/395928924.db2.gz HQHJDWMBPNPVRY-ZIAGYGMSSA-N 2 2 324.469 0.386 10 0 DCAELP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)N(C)CC(=O)NC2CC2)C1 ZINC000245441892 395928927 /nfs/dbraw/zinc/92/89/27/395928927.db2.gz HQHJDWMBPNPVRY-ZIAGYGMSSA-N 2 2 324.469 0.386 10 0 DCAELP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)N(C)CC(=O)NC2CC2)C1 ZINC000245441892 395928931 /nfs/dbraw/zinc/92/89/31/395928931.db2.gz HQHJDWMBPNPVRY-ZIAGYGMSSA-N 2 2 324.469 0.386 10 0 DCAELP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000246120831 395942016 /nfs/dbraw/zinc/94/20/16/395942016.db2.gz IISRUAOAJBUKMO-HUUCEWRRSA-N 2 2 312.458 0.833 10 0 DCAELP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000246120831 395942022 /nfs/dbraw/zinc/94/20/22/395942022.db2.gz IISRUAOAJBUKMO-HUUCEWRRSA-N 2 2 312.458 0.833 10 0 DCAELP CN(CC[C@H]1CCCC[NH+]1C)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000246120831 395942027 /nfs/dbraw/zinc/94/20/27/395942027.db2.gz IISRUAOAJBUKMO-HUUCEWRRSA-N 2 2 312.458 0.833 10 0 DCAELP CN(CC[C@H]1CCCC[NH+]1C)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000246120831 395942030 /nfs/dbraw/zinc/94/20/30/395942030.db2.gz IISRUAOAJBUKMO-HUUCEWRRSA-N 2 2 312.458 0.833 10 0 DCAELP C[C@H]([C@H](C)NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)[NH+]1CCOCC1 ZINC000246187141 395943576 /nfs/dbraw/zinc/94/35/76/395943576.db2.gz MDXMYTXYADHXAR-ARFHVFGLSA-N 2 2 322.453 0.751 10 0 DCAELP CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000246421515 395949593 /nfs/dbraw/zinc/94/95/93/395949593.db2.gz SOCWOQSNIISGST-HOTGVXAUSA-N 2 2 324.469 0.977 10 0 DCAELP CC[N@H+]1CCC[C@H](NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000246421515 395949596 /nfs/dbraw/zinc/94/95/96/395949596.db2.gz SOCWOQSNIISGST-HOTGVXAUSA-N 2 2 324.469 0.977 10 0 DCAELP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000247215219 395970054 /nfs/dbraw/zinc/97/00/54/395970054.db2.gz VQPWEHPLQBLBGS-GOEBONIOSA-N 2 2 322.453 0.587 10 0 DCAELP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000247215219 395970055 /nfs/dbraw/zinc/97/00/55/395970055.db2.gz VQPWEHPLQBLBGS-GOEBONIOSA-N 2 2 322.453 0.587 10 0 DCAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000247447469 395973238 /nfs/dbraw/zinc/97/32/38/395973238.db2.gz SLZPHXRLWFSLAK-OAGGEKHMSA-N 2 2 324.469 0.831 10 0 DCAELP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000247447469 395973240 /nfs/dbraw/zinc/97/32/40/395973240.db2.gz SLZPHXRLWFSLAK-OAGGEKHMSA-N 2 2 324.469 0.831 10 0 DCAELP CCCNC(=O)CN(C)C(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261980915 396086772 /nfs/dbraw/zinc/08/67/72/396086772.db2.gz RITOPMMKERNGOF-PBWFPOADSA-N 2 2 310.442 0.186 10 0 DCAELP CCCNC(=O)CN(C)C(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261980915 396086774 /nfs/dbraw/zinc/08/67/74/396086774.db2.gz RITOPMMKERNGOF-PBWFPOADSA-N 2 2 310.442 0.186 10 0 DCAELP O=C(C[C@H]1C[NH2+]CCO1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000262143684 396103543 /nfs/dbraw/zinc/10/35/43/396103543.db2.gz MPVNVPUGJHZTAL-AWEZNQCLSA-N 2 2 304.394 0.545 10 0 DCAELP COc1ccc(OC)c(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000261952127 396083176 /nfs/dbraw/zinc/08/31/76/396083176.db2.gz NETVEORMSOUYAS-UHFFFAOYSA-N 2 2 307.394 0.567 10 0 DCAELP COc1ccc(OC)c(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000261952127 396083178 /nfs/dbraw/zinc/08/31/78/396083178.db2.gz NETVEORMSOUYAS-UHFFFAOYSA-N 2 2 307.394 0.567 10 0 DCAELP CC[NH+](CC)[C@@H](C)CNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000192788168 396437499 /nfs/dbraw/zinc/43/74/99/396437499.db2.gz IKMVUFFEPZTAJI-KBPBESRZSA-N 2 2 300.447 0.737 10 0 DCAELP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC000581370211 396548623 /nfs/dbraw/zinc/54/86/23/396548623.db2.gz MWSGYLYVYDVGAX-YOEHRIQHSA-N 2 2 322.453 0.141 10 0 DCAELP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC000581370211 396548626 /nfs/dbraw/zinc/54/86/26/396548626.db2.gz MWSGYLYVYDVGAX-YOEHRIQHSA-N 2 2 322.453 0.141 10 0 DCAELP CC(=O)N[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)C(C)C ZINC000617768618 396825336 /nfs/dbraw/zinc/82/53/36/396825336.db2.gz MSFVZFYTTYEKMS-AWEZNQCLSA-N 2 2 300.447 0.147 10 0 DCAELP CC(=O)N[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)C(C)C ZINC000617768618 396825339 /nfs/dbraw/zinc/82/53/39/396825339.db2.gz MSFVZFYTTYEKMS-AWEZNQCLSA-N 2 2 300.447 0.147 10 0 DCAELP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1c1nc(C(N)=O)no1 ZINC000328655418 396830753 /nfs/dbraw/zinc/83/07/53/396830753.db2.gz YJXQTCWMUKGUGS-LLVKDONJSA-N 2 2 304.354 0.901 10 0 DCAELP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1c1nc(C(N)=O)no1 ZINC000328655418 396830762 /nfs/dbraw/zinc/83/07/62/396830762.db2.gz YJXQTCWMUKGUGS-LLVKDONJSA-N 2 2 304.354 0.901 10 0 DCAELP C[C@H]1CN(c2ccc(CNC(=O)C[NH+](C)C)c[nH+]2)C[C@H](C)O1 ZINC000170756793 158375450 /nfs/dbraw/zinc/37/54/50/158375450.db2.gz CUZWQDRQFSKGDB-STQMWFEESA-N 2 2 306.410 0.873 10 0 DCAELP Cc1nn2c(C[NH2+]C[C@@H]3C[NH2+]C[C@@H]3O)c(C(C)C)nc2s1 ZINC000263263110 158867226 /nfs/dbraw/zinc/86/72/26/158867226.db2.gz RFQLLCHARGLHTI-PWSUYJOCSA-N 2 2 309.439 0.893 10 0 DCAELP C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000329079035 159059397 /nfs/dbraw/zinc/05/93/97/159059397.db2.gz BVKLZZBKUHSTQJ-TZMCWYRMSA-N 2 2 308.426 0.732 10 0 DCAELP O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000408035702 160018438 /nfs/dbraw/zinc/01/84/38/160018438.db2.gz ZDOMFEPGPNKRCX-OAHLLOKOSA-N 2 2 303.410 0.506 10 0 DCAELP O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000408035702 160018440 /nfs/dbraw/zinc/01/84/40/160018440.db2.gz ZDOMFEPGPNKRCX-OAHLLOKOSA-N 2 2 303.410 0.506 10 0 DCAELP O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000408035702 160018441 /nfs/dbraw/zinc/01/84/41/160018441.db2.gz ZDOMFEPGPNKRCX-OAHLLOKOSA-N 2 2 303.410 0.506 10 0 DCAELP O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000408035702 160018443 /nfs/dbraw/zinc/01/84/43/160018443.db2.gz ZDOMFEPGPNKRCX-OAHLLOKOSA-N 2 2 303.410 0.506 10 0 DCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1nc(N(C)C)no1 ZINC000192772004 287059946 /nfs/dbraw/zinc/05/99/46/287059946.db2.gz NDADOURALBLJCL-UHFFFAOYSA-N 2 2 310.446 0.593 10 0 DCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1nc(N(C)C)no1 ZINC000192772004 287059947 /nfs/dbraw/zinc/05/99/47/287059947.db2.gz NDADOURALBLJCL-UHFFFAOYSA-N 2 2 310.446 0.593 10 0 DCAELP CCOC(=O)CN(C)C(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000245439012 287069108 /nfs/dbraw/zinc/06/91/08/287069108.db2.gz SMIZWQZREWLQIZ-UONOGXRCSA-N 2 2 313.442 0.670 10 0 DCAELP CCOC(=O)CN(C)C(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000245439012 287069110 /nfs/dbraw/zinc/06/91/10/287069110.db2.gz SMIZWQZREWLQIZ-UONOGXRCSA-N 2 2 313.442 0.670 10 0 DCAELP CCOC(=O)CN(C)C(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000245439012 287069113 /nfs/dbraw/zinc/06/91/13/287069113.db2.gz SMIZWQZREWLQIZ-UONOGXRCSA-N 2 2 313.442 0.670 10 0 DCAELP CCOC(=O)CN(C)C(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000245439012 287069114 /nfs/dbraw/zinc/06/91/14/287069114.db2.gz SMIZWQZREWLQIZ-UONOGXRCSA-N 2 2 313.442 0.670 10 0 DCAELP Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)[C@@H]3CCC[NH2+]3)C2=O)n(C)n1 ZINC000333318627 415609809 /nfs/dbraw/zinc/60/98/09/415609809.db2.gz UBFWFYNVKCIYRA-HZSPNIEDSA-N 2 2 305.426 0.954 10 0 DCAELP [NH3+][C@@H]1CCC[C@H]2CN(c3cc(N4CCOCC4)nc[nH+]3)C[C@@H]21 ZINC000333621020 415698796 /nfs/dbraw/zinc/69/87/96/415698796.db2.gz ZLKVDRZARIMXHK-MELADBBJSA-N 2 2 303.410 0.877 10 0 DCAELP [NH3+][C@@H]1CCC[C@H]2CN(c3cc(N4CCOCC4)[nH+]cn3)C[C@@H]21 ZINC000333621020 415698804 /nfs/dbraw/zinc/69/88/04/415698804.db2.gz ZLKVDRZARIMXHK-MELADBBJSA-N 2 2 303.410 0.877 10 0 DCAELP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000128364200 415897682 /nfs/dbraw/zinc/89/76/82/415897682.db2.gz BQGMWPPQORIGMN-OAHLLOKOSA-N 2 2 311.430 0.651 10 0 DCAELP O=C(NCCC[NH+]1CCCCC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173790759 416066122 /nfs/dbraw/zinc/06/61/22/416066122.db2.gz JYBDPBSJMXXPQM-MRXNPFEDSA-N 2 2 324.469 0.979 10 0 DCAELP C[C@@H](CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)[NH+]1CCOCC1 ZINC000174157442 416073547 /nfs/dbraw/zinc/07/35/47/416073547.db2.gz QZNPXNWCYCYMKJ-HOTGVXAUSA-N 2 2 324.469 0.834 10 0 DCAELP O=C([C@H]1CCCn2cc[nH+]c21)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178125914 416157617 /nfs/dbraw/zinc/15/76/17/416157617.db2.gz RVFLUJWFEWVLLQ-CABCVRRESA-N 2 2 318.421 0.941 10 0 DCAELP CN(C)c1cc[nH+]cc1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000183491656 416242826 /nfs/dbraw/zinc/24/28/26/416242826.db2.gz JDNTZOYXLGIOOS-UHFFFAOYSA-N 2 2 306.410 0.988 10 0 DCAELP CN(C)c1cc[nH+]cc1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000183491656 416242829 /nfs/dbraw/zinc/24/28/29/416242829.db2.gz JDNTZOYXLGIOOS-UHFFFAOYSA-N 2 2 306.410 0.988 10 0 DCAELP CN(C)c1cc[nH+]cc1C(=O)NCCCC[NH+]1CCOCC1 ZINC000183516582 416243407 /nfs/dbraw/zinc/24/34/07/416243407.db2.gz GDIZYOQRFCRLNK-UHFFFAOYSA-N 2 2 306.410 0.990 10 0 DCAELP Cc1nnc(C[N@H+](C)CCCN2CC[NH+](C)CC2)n1C1CC1 ZINC000182965595 416235328 /nfs/dbraw/zinc/23/53/28/416235328.db2.gz RCQCBGPRTKVBJM-UHFFFAOYSA-N 2 2 306.458 0.991 10 0 DCAELP Cc1nnc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)n1C1CC1 ZINC000182965595 416235329 /nfs/dbraw/zinc/23/53/29/416235329.db2.gz RCQCBGPRTKVBJM-UHFFFAOYSA-N 2 2 306.458 0.991 10 0 DCAELP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000247224144 416332624 /nfs/dbraw/zinc/33/26/24/416332624.db2.gz WKIQJSZOYNDWOJ-LSDHHAIUSA-N 2 2 312.458 0.833 10 0 DCAELP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000247224144 416332625 /nfs/dbraw/zinc/33/26/25/416332625.db2.gz WKIQJSZOYNDWOJ-LSDHHAIUSA-N 2 2 312.458 0.833 10 0 DCAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000247447477 416332945 /nfs/dbraw/zinc/33/29/45/416332945.db2.gz SLZPHXRLWFSLAK-OWCLPIDISA-N 2 2 324.469 0.831 10 0 DCAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000247447477 416332946 /nfs/dbraw/zinc/33/29/46/416332946.db2.gz SLZPHXRLWFSLAK-OWCLPIDISA-N 2 2 324.469 0.831 10 0 DCAELP C[C@@H](O)C1CC[NH+](CC(O)C[NH+]2CCC([C@@H](C)O)CC2)CC1 ZINC000194510203 416323825 /nfs/dbraw/zinc/32/38/25/416323825.db2.gz KKJPLUJOWDJWDY-ZIAGYGMSSA-N 2 2 314.470 0.533 10 0 DCAELP c1cncc(C[NH2+]CCC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000423186334 416475470 /nfs/dbraw/zinc/47/54/70/416475470.db2.gz LAZJFGHZCARHPM-DLBZAZTESA-N 3 2 304.438 0.918 10 0 DCAELP O[C@]1(C[NH2+]C2COCCOC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634714596 417533444 /nfs/dbraw/zinc/53/34/44/417533444.db2.gz NQXXFVFJKSOAGS-KRWDZBQOSA-N 2 2 306.406 0.628 10 0 DCAELP O[C@]1(C[NH2+]C2COCCOC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634714596 417533449 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305.426 0.623 10 0 DCAELP Cn1cc([C@H]2[C@H](C[N@@H+](C)[C@H]3CCNC3=O)CCC[NH+]2C)cn1 ZINC000333082362 396917804 /nfs/dbraw/zinc/91/78/04/396917804.db2.gz XLEBADFPZAHDAD-AEGPPILISA-N 2 2 305.426 0.623 10 0 DCAELP Cn1cc([C@H]2[C@H](C[NH+](C)[C@H]3CCNC3=O)CCC[N@@H+]2C)cn1 ZINC000333082362 396917810 /nfs/dbraw/zinc/91/78/10/396917810.db2.gz XLEBADFPZAHDAD-AEGPPILISA-N 2 2 305.426 0.623 10 0 DCAELP Cn1cc([C@H]2[C@H](C[NH+](C)[C@H]3CCNC3=O)CCC[N@H+]2C)cn1 ZINC000333082362 396917816 /nfs/dbraw/zinc/91/78/16/396917816.db2.gz XLEBADFPZAHDAD-AEGPPILISA-N 2 2 305.426 0.623 10 0 DCAELP C[NH+](C)[C@H]1CCC[N@H+](CC(=O)N2CCC[C@H](C(N)=O)C2)CC1 ZINC000377280090 397060394 /nfs/dbraw/zinc/06/03/94/397060394.db2.gz YEXXXXOAXCCJHT-KBPBESRZSA-N 2 2 310.442 0.126 10 0 DCAELP C[NH+](C)[C@H]1CCC[N@@H+](CC(=O)N2CCC[C@H](C(N)=O)C2)CC1 ZINC000377280090 397060399 /nfs/dbraw/zinc/06/03/99/397060399.db2.gz YEXXXXOAXCCJHT-KBPBESRZSA-N 2 2 310.442 0.126 10 0 DCAELP CN(CC[NH+]1CCOCC1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000074792298 158059935 /nfs/dbraw/zinc/05/99/35/158059935.db2.gz DROOLNFTRGFDQT-MQVJKMGUSA-N 2 2 324.469 0.975 10 0 DCAELP CN(CC[NH+]1CCOCC1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000074792298 158059937 /nfs/dbraw/zinc/05/99/37/158059937.db2.gz DROOLNFTRGFDQT-MQVJKMGUSA-N 2 2 324.469 0.975 10 0 DCAELP Cn1cc[nH+]c1CC1CC[NH+](CC(=O)NC[C@H]2CCCO2)CC1 ZINC000105918615 158132513 /nfs/dbraw/zinc/13/25/13/158132513.db2.gz CZUXYWXEIANZCK-OAHLLOKOSA-N 2 2 320.437 0.970 10 0 DCAELP Cn1cc[nH+]c1CC1CC[NH+](CCNS(C)(=O)=O)CC1 ZINC000107304697 158135595 /nfs/dbraw/zinc/13/55/95/158135595.db2.gz VDGWFXWJTUKCMX-UHFFFAOYSA-N 2 2 300.428 0.224 10 0 DCAELP CN(C)c1[nH+]cccc1CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000117031716 158170052 /nfs/dbraw/zinc/17/00/52/158170052.db2.gz BPMNYAJEKSCZOM-AWEZNQCLSA-N 2 2 321.425 0.620 10 0 DCAELP C[C@H](CC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000127307830 158273178 /nfs/dbraw/zinc/27/31/78/158273178.db2.gz URTBPNBUKZVNPX-OAGGEKHMSA-N 2 2 309.454 0.945 10 0 DCAELP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2COCC[NH2+]2)cn1 ZINC000164804867 158364047 /nfs/dbraw/zinc/36/40/47/158364047.db2.gz MCGNEAUYRLBMTF-ZDUSSCGKSA-N 2 2 301.350 0.180 10 0 DCAELP C[C@@H]1C[N@H+](CC2CC[NH+](CCS(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000171303850 158381681 /nfs/dbraw/zinc/38/16/81/158381681.db2.gz ZQURHRZRBMXSCE-OKILXGFUSA-N 2 2 318.483 0.852 10 0 DCAELP C[C@@H]1C[N@@H+](CC2CC[NH+](CCS(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000171303850 158381678 /nfs/dbraw/zinc/38/16/78/158381678.db2.gz ZQURHRZRBMXSCE-OKILXGFUSA-N 2 2 318.483 0.852 10 0 DCAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCCS(N)(=O)=O)C1 ZINC000171614928 158384011 /nfs/dbraw/zinc/38/40/11/158384011.db2.gz MPGNNQLTHBIVPN-GFCCVEGCSA-N 2 2 300.428 0.761 10 0 DCAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCCS(N)(=O)=O)C1 ZINC000171614928 158384013 /nfs/dbraw/zinc/38/40/13/158384013.db2.gz MPGNNQLTHBIVPN-GFCCVEGCSA-N 2 2 300.428 0.761 10 0 DCAELP C[NH+]1CCC(CNC(=O)Cn2cccn2)([NH+]2CCCCC2)CC1 ZINC000172753212 158399068 /nfs/dbraw/zinc/39/90/68/158399068.db2.gz ATKNXMSEYHCXKV-UHFFFAOYSA-N 2 2 319.453 0.950 10 0 DCAELP COCCOc1cc2c(cc1C[NH2+]C[C@H]1C[NH2+]C[C@H]1O)OCO2 ZINC000263263114 158867344 /nfs/dbraw/zinc/86/73/44/158867344.db2.gz RFQULHXUWLORKB-QWHCGFSZSA-N 2 2 324.377 0.110 10 0 DCAELP CO[C@H]1C[C@@H](C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)[N@H+](C)C1 ZINC000329064585 159057267 /nfs/dbraw/zinc/05/72/67/159057267.db2.gz OPQAGWHXMXIGEF-KBPBESRZSA-N 2 2 306.410 0.897 10 0 DCAELP CO[C@H]1C[C@@H](C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)[N@@H+](C)C1 ZINC000329064585 159057268 /nfs/dbraw/zinc/05/72/68/159057268.db2.gz OPQAGWHXMXIGEF-KBPBESRZSA-N 2 2 306.410 0.897 10 0 DCAELP CO[C@H]1C[C@@H](C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)[N@H+](C)C1 ZINC000408046052 160021508 /nfs/dbraw/zinc/02/15/08/160021508.db2.gz JTFYRUNHFVRZRS-KBPBESRZSA-N 2 2 319.409 0.153 10 0 DCAELP CO[C@H]1C[C@@H](C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)[N@@H+](C)C1 ZINC000408046052 160021509 /nfs/dbraw/zinc/02/15/09/160021509.db2.gz JTFYRUNHFVRZRS-KBPBESRZSA-N 2 2 319.409 0.153 10 0 DCAELP C[C@H](CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[NH+]1CCOCC1 ZINC000085358946 415506736 /nfs/dbraw/zinc/50/67/36/415506736.db2.gz PUANZSMHOGKGRV-ZIAGYGMSSA-N 2 2 314.474 0.983 10 0 DCAELP C[C@@H](CNC(=O)N1CCC(n2cc[nH+]c2)CC1)[NH+]1CCOCC1 ZINC000103305036 415617208 /nfs/dbraw/zinc/61/72/08/415617208.db2.gz RPDVGTFYFZUPLT-AWEZNQCLSA-N 2 2 321.425 0.950 10 0 DCAELP C[N@@H+]1CCO[C@H](CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000104790999 415626971 /nfs/dbraw/zinc/62/69/71/415626971.db2.gz ROOJXSRGSNBOEL-CQSZACIVSA-N 2 2 312.458 0.879 10 0 DCAELP C[N@H+]1CCO[C@H](CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000104790999 415626981 /nfs/dbraw/zinc/62/69/81/415626981.db2.gz ROOJXSRGSNBOEL-CQSZACIVSA-N 2 2 312.458 0.879 10 0 DCAELP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000106912943 415656522 /nfs/dbraw/zinc/65/65/22/415656522.db2.gz WGIMBVKKUVPTLP-JKSUJKDBSA-N 2 2 305.422 0.606 10 0 DCAELP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000106912943 415656534 /nfs/dbraw/zinc/65/65/34/415656534.db2.gz WGIMBVKKUVPTLP-JKSUJKDBSA-N 2 2 305.422 0.606 10 0 DCAELP O=C(N[C@H]1CCCC[NH2+]C1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000333660379 415708746 /nfs/dbraw/zinc/70/87/46/415708746.db2.gz LLADWUNCYCOXNT-LSDHHAIUSA-N 2 2 310.442 0.635 10 0 DCAELP c1cc(N2CC[NH+](CC3CC3)CC2)nc(N2CCOCC2)[nH+]1 ZINC000354071122 415743356 /nfs/dbraw/zinc/74/33/56/415743356.db2.gz INFKSNZZWOXVJM-UHFFFAOYSA-N 2 2 303.410 0.845 10 0 DCAELP Cn1ncc2c1nc(N1CCC[C@@H]([C@@H]3CC[NH2+]C3)C1)[nH+]c2N ZINC000333899836 415762392 /nfs/dbraw/zinc/76/23/92/415762392.db2.gz YXZCJCJLHLJKOE-GHMZBOCLSA-N 2 2 301.398 0.771 10 0 DCAELP CC(=O)N1CC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000357309837 416059941 /nfs/dbraw/zinc/05/99/41/416059941.db2.gz QUZVXXMHELGYJV-CQSZACIVSA-N 2 2 324.469 0.528 10 0 DCAELP CC(=O)N1CC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000357309837 416059944 /nfs/dbraw/zinc/05/99/44/416059944.db2.gz QUZVXXMHELGYJV-CQSZACIVSA-N 2 2 324.469 0.528 10 0 DCAELP CCOC(=O)CN(C)C(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000174775163 416085110 /nfs/dbraw/zinc/08/51/10/416085110.db2.gz SMIZWQZREWLQIZ-ZIAGYGMSSA-N 2 2 313.442 0.670 10 0 DCAELP CCOC(=O)CN(C)C(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000174775163 416085114 /nfs/dbraw/zinc/08/51/14/416085114.db2.gz SMIZWQZREWLQIZ-ZIAGYGMSSA-N 2 2 313.442 0.670 10 0 DCAELP CCOC(=O)CN(C)C(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000174775163 416085116 /nfs/dbraw/zinc/08/51/16/416085116.db2.gz SMIZWQZREWLQIZ-ZIAGYGMSSA-N 2 2 313.442 0.670 10 0 DCAELP CCOC(=O)CN(C)C(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000174775163 416085118 /nfs/dbraw/zinc/08/51/18/416085118.db2.gz SMIZWQZREWLQIZ-ZIAGYGMSSA-N 2 2 313.442 0.670 10 0 DCAELP CN(Cc1[nH+]ccn1C)c1nc(N[C@@H]2CCCOC2)cc[nH+]1 ZINC000328626531 416123973 /nfs/dbraw/zinc/12/39/73/416123973.db2.gz FEQSUVXFMQUCHF-GFCCVEGCSA-N 2 2 302.382 1.437 10 0 DCAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000176848685 416135904 /nfs/dbraw/zinc/13/59/04/416135904.db2.gz SLZPHXRLWFSLAK-PMPSAXMXSA-N 2 2 324.469 0.831 10 0 DCAELP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000176848685 416135907 /nfs/dbraw/zinc/13/59/07/416135907.db2.gz SLZPHXRLWFSLAK-PMPSAXMXSA-N 2 2 324.469 0.831 10 0 DCAELP C[NH+]1CCN(C(=O)C[NH+]2CCC(Cn3cccn3)CC2)CC1 ZINC000180480498 416196534 /nfs/dbraw/zinc/19/65/34/416196534.db2.gz VPARYJOHBZJFNS-UHFFFAOYSA-N 2 2 305.426 0.369 10 0 DCAELP O=C([C@@H]1CCCn2cc[nH+]c21)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178125904 416158165 /nfs/dbraw/zinc/15/81/65/416158165.db2.gz RVFLUJWFEWVLLQ-HUUCEWRRSA-N 2 2 318.421 0.941 10 0 DCAELP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000263219899 416337402 /nfs/dbraw/zinc/33/74/02/416337402.db2.gz LREYDRCXYQZFAK-STQMWFEESA-N 2 2 317.380 0.554 10 0 DCAELP Cn1cc[nH+]c1N1CC[NH+](C[C@H](O)COC[C@H]2CCCO2)CC1 ZINC000534109915 416493461 /nfs/dbraw/zinc/49/34/61/416493461.db2.gz IWJOKBYBAJUNGD-LSDHHAIUSA-N 2 2 324.425 0.099 10 0 DCAELP C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000557378078 416733683 /nfs/dbraw/zinc/73/36/83/416733683.db2.gz QEXOIPCIROSPGX-LBPRGKRZSA-N 2 2 315.377 0.731 10 0 DCAELP C[C@H]1CC[N@@H+](CCNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000557378078 416733689 /nfs/dbraw/zinc/73/36/89/416733689.db2.gz QEXOIPCIROSPGX-LBPRGKRZSA-N 2 2 315.377 0.731 10 0 DCAELP CC1CC[NH+](CCNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CC1 ZINC000173784708 276197611 /nfs/dbraw/zinc/19/76/11/276197611.db2.gz VRGXIEBGIZRSOH-INIZCTEOSA-N 2 2 324.469 0.834 10 0 DCAELP C[C@@H](C(=O)N(CC[NH3+])CCc1ccccc1)[NH+]1CCOCC1 ZINC000261777826 278186045 /nfs/dbraw/zinc/18/60/45/278186045.db2.gz SAKHGSOFQFEYCO-HNNXBMFYSA-N 2 2 305.422 0.737 10 0 DCAELP C[C@H](NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)[C@H](C)[NH+]1CCOCC1 ZINC000105298187 278239214 /nfs/dbraw/zinc/23/92/14/278239214.db2.gz WDRDRAYDKFLYEI-HRCADAONSA-N 2 2 324.469 0.975 10 0 DCAELP C[C@H](NC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)[C@H](C)[NH+]1CCOCC1 ZINC000105298187 278239216 /nfs/dbraw/zinc/23/92/16/278239216.db2.gz WDRDRAYDKFLYEI-HRCADAONSA-N 2 2 324.469 0.975 10 0 DCAELP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000408390180 279218560 /nfs/dbraw/zinc/21/85/60/279218560.db2.gz RSDWJVOPSFXSLX-GHMZBOCLSA-N 2 2 305.382 0.592 10 0 DCAELP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000408390180 279218561 /nfs/dbraw/zinc/21/85/61/279218561.db2.gz RSDWJVOPSFXSLX-GHMZBOCLSA-N 2 2 305.382 0.592 10 0 DCAELP O=C(N1CC[C@@H]([NH+]2CCOCC2)C1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262350336 295578976 /nfs/dbraw/zinc/57/89/76/295578976.db2.gz IWIMGZODBGTRDX-ZMSDIMECSA-N 2 2 307.438 0.699 10 0 DCAELP O=C(N[C@H]1CCCC[NH2+]C1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000333660377 303949963 /nfs/dbraw/zinc/94/99/63/303949963.db2.gz LLADWUNCYCOXNT-GJZGRUSLSA-N 2 2 310.442 0.635 10 0 DCAELP C[C@@H]1C[N@H+](Cc2cnc(NC(=O)C[NH+](C)C)s2)CC[C@H]1[NH3+] ZINC000725273042 548749969 /nfs/dbraw/zinc/74/99/69/548749969.db2.gz XPLCDERITYDLIV-ZYHUDNBSSA-N 3 2 311.455 0.812 10 0 DCAELP C[C@@H]1C[N@@H+](Cc2cnc(NC(=O)C[NH+](C)C)s2)CC[C@H]1[NH3+] ZINC000725273042 548749974 /nfs/dbraw/zinc/74/99/74/548749974.db2.gz XPLCDERITYDLIV-ZYHUDNBSSA-N 3 2 311.455 0.812 10 0 DCAELP CCc1n[nH]cc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732779693 664960604 /nfs/dbraw/zinc/96/06/04/664960604.db2.gz YTLQPVJFNMRBIN-LBPRGKRZSA-N 2 2 305.426 0.870 10 0 DCAELP CCc1n[nH]cc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732779693 664960605 /nfs/dbraw/zinc/96/06/05/664960605.db2.gz YTLQPVJFNMRBIN-LBPRGKRZSA-N 2 2 305.426 0.870 10 0 DCAELP C[NH+](C)Cc1nc(C(C)(C)NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])no1 ZINC000261783495 282150600 /nfs/dbraw/zinc/15/06/00/282150600.db2.gz POENQNRQONCISX-GHMZBOCLSA-N 2 2 309.414 0.858 10 0 DCAELP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000176641845 282192619 /nfs/dbraw/zinc/19/26/19/282192619.db2.gz YOQYXGZWTQMZLW-XHSDSOJGSA-N 2 2 324.469 0.975 10 0 DCAELP C[N@@H+]1CCO[C@H](C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000081300637 192248300 /nfs/dbraw/zinc/24/83/00/192248300.db2.gz PNHZNBWXVBDOKN-ZDUSSCGKSA-N 2 2 301.350 0.214 10 0 DCAELP C[N@H+]1CCO[C@H](C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000081300637 192248301 /nfs/dbraw/zinc/24/83/01/192248301.db2.gz PNHZNBWXVBDOKN-ZDUSSCGKSA-N 2 2 301.350 0.214 10 0 DCAELP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCn2cc[nH+]c21 ZINC000245416402 285036744 /nfs/dbraw/zinc/03/67/44/285036744.db2.gz IDFVRRJONFSJAO-KBPBESRZSA-N 2 2 306.410 0.988 10 0 DCAELP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCn2cc[nH+]c21 ZINC000245416402 285036749 /nfs/dbraw/zinc/03/67/49/285036749.db2.gz IDFVRRJONFSJAO-KBPBESRZSA-N 2 2 306.410 0.988 10 0 DCAELP Cn1ncc2c1ncnc2N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000275672042 130358693 /nfs/dbraw/zinc/35/86/93/130358693.db2.gz LRAWTQQSMYUZQI-ZDUSSCGKSA-N 2 2 316.409 0.910 10 0 DCAELP Cn1ncc2c1ncnc2N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000275672042 130358696 /nfs/dbraw/zinc/35/86/96/130358696.db2.gz LRAWTQQSMYUZQI-ZDUSSCGKSA-N 2 2 316.409 0.910 10 0 DCAELP Cn1ncc2c1nc[nH+]c2N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000275672042 130358699 /nfs/dbraw/zinc/35/86/99/130358699.db2.gz LRAWTQQSMYUZQI-ZDUSSCGKSA-N 2 2 316.409 0.910 10 0 DCAELP Cn1ncc2c1nc[nH+]c2N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000275672042 130358701 /nfs/dbraw/zinc/35/87/01/130358701.db2.gz LRAWTQQSMYUZQI-ZDUSSCGKSA-N 2 2 316.409 0.910 10 0 DCAELP CCN(CC)C(=O)C[NH+]1CCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000163953879 132128798 /nfs/dbraw/zinc/12/87/98/132128798.db2.gz WFLKZEPTJMBXTF-KBPBESRZSA-N 2 2 310.442 0.126 10 0 DCAELP NC(=O)[C@@H]1CCCN(C(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)C1 ZINC000111243100 395804792 /nfs/dbraw/zinc/80/47/92/395804792.db2.gz MNYJKWWJHQLRTC-CYBMUJFWSA-N 2 2 319.409 0.244 10 0 DCAELP Nc1nc(N)nc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000195515790 395831052 /nfs/dbraw/zinc/83/10/52/395831052.db2.gz XYCMATGQTPGGHV-SNVBAGLBSA-N 2 2 300.370 0.365 10 0 DCAELP Nc1nc(N)nc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000195515790 395831055 /nfs/dbraw/zinc/83/10/55/395831055.db2.gz XYCMATGQTPGGHV-SNVBAGLBSA-N 2 2 300.370 0.365 10 0 DCAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)NCC(=O)OC)C1 ZINC000247243768 395969830 /nfs/dbraw/zinc/96/98/30/395969830.db2.gz SPCWPQUGWBHZST-OLZOCXBDSA-N 2 2 322.409 0.760 10 0 DCAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)NCC(=O)OC)C1 ZINC000247243768 395969832 /nfs/dbraw/zinc/96/98/32/395969832.db2.gz SPCWPQUGWBHZST-OLZOCXBDSA-N 2 2 322.409 0.760 10 0 DCAELP C[C@]1(C(N)=O)CCCC[NH+]1CCC[N@H+]1CCCC[C@]1(C)C(N)=O ZINC000248621979 395991578 /nfs/dbraw/zinc/99/15/78/395991578.db2.gz TWEFOBUGKRDDDR-IAGOWNOFSA-N 2 2 324.469 0.836 10 0 DCAELP Cc1ncc(C[NH+]2CCN(Cc3noc(C[NH3+])n3)CC2)s1 ZINC000262290004 396119088 /nfs/dbraw/zinc/11/90/88/396119088.db2.gz VYPIXDILTCHCAX-UHFFFAOYSA-N 2 2 308.411 0.611 10 0 DCAELP COc1ccc(OC(F)F)c(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000263203121 396206084 /nfs/dbraw/zinc/20/60/84/396206084.db2.gz JHRMQAAWWVKJSB-PWSUYJOCSA-N 2 2 302.321 0.967 10 0 DCAELP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263273339 396211243 /nfs/dbraw/zinc/21/12/43/396211243.db2.gz SNMVRNSGERFMAP-DGCLKSJQSA-N 2 2 317.380 0.601 10 0 DCAELP C[C@@H]1C[C@H]([NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)C[N@@H+]1C1CC1 ZINC000527752837 396547766 /nfs/dbraw/zinc/54/77/66/396547766.db2.gz IUSIVPWLMLBMAK-RVKKMQEKSA-N 2 2 323.481 0.817 10 0 DCAELP C[C@@H]1C[C@H]([NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)C[N@H+]1C1CC1 ZINC000527752837 396547767 /nfs/dbraw/zinc/54/77/67/396547767.db2.gz IUSIVPWLMLBMAK-RVKKMQEKSA-N 2 2 323.481 0.817 10 0 DCAELP CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC000581370208 396548850 /nfs/dbraw/zinc/54/88/50/396548850.db2.gz MWSGYLYVYDVGAX-PBHICJAKSA-N 2 2 322.453 0.141 10 0 DCAELP CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC000581370208 396548853 /nfs/dbraw/zinc/54/88/53/396548853.db2.gz MWSGYLYVYDVGAX-PBHICJAKSA-N 2 2 322.453 0.141 10 0 DCAELP COCCCS(=O)(=O)NCC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000177688462 292371489 /nfs/dbraw/zinc/37/14/89/292371489.db2.gz IGZHCFBXPCSIMP-UONOGXRCSA-N 2 2 321.487 0.357 10 0 DCAELP COCCCS(=O)(=O)NCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000177688462 292371491 /nfs/dbraw/zinc/37/14/91/292371491.db2.gz IGZHCFBXPCSIMP-UONOGXRCSA-N 2 2 321.487 0.357 10 0 DCAELP COCCCS(=O)(=O)NCC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000177688462 292371492 /nfs/dbraw/zinc/37/14/92/292371492.db2.gz IGZHCFBXPCSIMP-UONOGXRCSA-N 2 2 321.487 0.357 10 0 DCAELP COCCCS(=O)(=O)NCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000177688462 292371494 /nfs/dbraw/zinc/37/14/94/292371494.db2.gz IGZHCFBXPCSIMP-UONOGXRCSA-N 2 2 321.487 0.357 10 0 DCAELP [NH3+][C@@H]1CC[C@H](C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000165973935 158365969 /nfs/dbraw/zinc/36/59/69/158365969.db2.gz KUMGCTOBWFHHSW-GZBFAFLISA-N 2 2 313.467 0.438 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](n3cncn3)C2)CC1 ZINC000171615225 158384374 /nfs/dbraw/zinc/38/43/74/158384374.db2.gz GQQKRZHASZOBRD-CABCVRRESA-N 2 2 320.441 0.468 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H](n3cncn3)C2)CC1 ZINC000171615225 158384378 /nfs/dbraw/zinc/38/43/78/158384378.db2.gz GQQKRZHASZOBRD-CABCVRRESA-N 2 2 320.441 0.468 10 0 DCAELP COc1ccc([C@H](NC(=O)C2C[NH2+]C2)c2[nH+]ccn2C)cc1 ZINC000263335128 158872086 /nfs/dbraw/zinc/87/20/86/158872086.db2.gz WCUBPPWACADVAQ-AWEZNQCLSA-N 2 2 300.362 0.854 10 0 DCAELP CO[C@H]1C[C@@H](C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)[N@H+](C)C1 ZINC000328996735 159051029 /nfs/dbraw/zinc/05/10/29/159051029.db2.gz FOTOBULEEVDANK-ILXRZTDVSA-N 2 2 320.437 0.920 10 0 DCAELP CO[C@H]1C[C@@H](C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)[N@@H+](C)C1 ZINC000328996735 159051030 /nfs/dbraw/zinc/05/10/30/159051030.db2.gz FOTOBULEEVDANK-ILXRZTDVSA-N 2 2 320.437 0.920 10 0 DCAELP Cn1ncc2c1nc(N1CC[C@]3(C1)CCC[N@H+](C)C3)[nH+]c2N ZINC000292686260 415849918 /nfs/dbraw/zinc/84/99/18/415849918.db2.gz FDHPJYWUOLKYES-OAHLLOKOSA-N 2 2 301.398 0.868 10 0 DCAELP Cn1ncc2c1nc(N1CC[C@]3(C1)CCC[N@@H+](C)C3)[nH+]c2N ZINC000292686260 415849924 /nfs/dbraw/zinc/84/99/24/415849924.db2.gz FDHPJYWUOLKYES-OAHLLOKOSA-N 2 2 301.398 0.868 10 0 DCAELP CC[N@@H+]1CC[C@@H](NC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)C1 ZINC000334117482 415810756 /nfs/dbraw/zinc/81/07/56/415810756.db2.gz IJBCDWBLLJZVJJ-KGLIPLIRSA-N 2 2 320.441 0.512 10 0 DCAELP CC[N@H+]1CC[C@@H](NC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)C1 ZINC000334117482 415810763 /nfs/dbraw/zinc/81/07/63/415810763.db2.gz IJBCDWBLLJZVJJ-KGLIPLIRSA-N 2 2 320.441 0.512 10 0 DCAELP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCCCn1cc[nH+]c1 ZINC000171896203 416042502 /nfs/dbraw/zinc/04/25/02/416042502.db2.gz LJJCVWVZQSWCKE-AWEZNQCLSA-N 2 2 309.414 0.683 10 0 DCAELP COCC[N@H+]1CCC[C@H]1CNC(=O)NCCCn1cc[nH+]c1 ZINC000171896203 416042505 /nfs/dbraw/zinc/04/25/05/416042505.db2.gz LJJCVWVZQSWCKE-AWEZNQCLSA-N 2 2 309.414 0.683 10 0 DCAELP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173861301 416068533 /nfs/dbraw/zinc/06/85/33/416068533.db2.gz KXKLZIIKAAIZGA-HOTGVXAUSA-N 2 2 324.469 0.977 10 0 DCAELP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173861301 416068535 /nfs/dbraw/zinc/06/85/35/416068535.db2.gz KXKLZIIKAAIZGA-HOTGVXAUSA-N 2 2 324.469 0.977 10 0 DCAELP C1=CC[NH+]([C@H]2CCN(c3nc(N[C@H]4CCCOC4)cc[nH+]3)C2)C1 ZINC000328656178 416125807 /nfs/dbraw/zinc/12/58/07/416125807.db2.gz ZBSVWGHJTPTUFM-GJZGRUSLSA-N 2 2 315.421 1.518 10 0 DCAELP CN(CC[N@H+](C)C1CC1)c1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000184784741 416251921 /nfs/dbraw/zinc/25/19/21/416251921.db2.gz QYRGDJZALDFOCF-CQSZACIVSA-N 2 2 305.426 0.968 10 0 DCAELP CN(CC[N@@H+](C)C1CC1)c1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000184784741 416251924 /nfs/dbraw/zinc/25/19/24/416251924.db2.gz QYRGDJZALDFOCF-CQSZACIVSA-N 2 2 305.426 0.968 10 0 DCAELP O=C(CC[NH2+]Cc1cocn1)N1CCN(c2cccc[nH+]2)CC1 ZINC000192301215 416303653 /nfs/dbraw/zinc/30/36/53/416303653.db2.gz BVEUJVYKUQLEBZ-UHFFFAOYSA-N 2 2 315.377 0.898 10 0 DCAELP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000248998076 416334210 /nfs/dbraw/zinc/33/42/10/416334210.db2.gz MPGFUNJHZRVXBK-NEPJUHHUSA-N 2 2 303.410 0.754 10 0 DCAELP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000248998076 416334211 /nfs/dbraw/zinc/33/42/11/416334211.db2.gz MPGFUNJHZRVXBK-NEPJUHHUSA-N 2 2 303.410 0.754 10 0 DCAELP c1cncc(C[NH2+]CCC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000423186337 416475796 /nfs/dbraw/zinc/47/57/96/416475796.db2.gz LAZJFGHZCARHPM-IRXDYDNUSA-N 3 2 304.438 0.918 10 0 DCAELP c1cc(N2CC([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)C2)ncn1 ZINC000631748860 417931806 /nfs/dbraw/zinc/93/18/06/417931806.db2.gz KYZFYCAQSCYSBF-INIZCTEOSA-N 2 2 317.437 0.898 10 0 DCAELP CO[C@@H]1CC[C@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1 ZINC000364999449 523720882 /nfs/dbraw/zinc/72/08/82/523720882.db2.gz FLURDTRMRWZILX-DLBZAZTESA-N 2 2 311.470 0.940 10 0 DCAELP CO[C@@H]1CC[C@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC000364999449 523720891 /nfs/dbraw/zinc/72/08/91/523720891.db2.gz FLURDTRMRWZILX-DLBZAZTESA-N 2 2 311.470 0.940 10 0 DCAELP Cc1cccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)CC2)c1 ZINC000163646034 524396951 /nfs/dbraw/zinc/39/69/51/524396951.db2.gz IWPKQIVPZAJQKZ-HOTGVXAUSA-N 2 2 303.406 0.362 10 0 DCAELP C[C@H](O)C[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000189685007 525759896 /nfs/dbraw/zinc/75/98/96/525759896.db2.gz ISVDWVJCEBNWGV-RDJZCZTQSA-N 2 2 319.449 0.684 10 0 DCAELP CS(=O)(=O)N1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000123967331 545757591 /nfs/dbraw/zinc/75/75/91/545757591.db2.gz WQIHWGUGJUTMPX-UHFFFAOYSA-N 2 2 309.435 0.410 10 0 DCAELP COc1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)c(OC(F)F)c1 ZINC000262102477 545979279 /nfs/dbraw/zinc/97/92/79/545979279.db2.gz IZIQPGLHXLRAIT-JQWIXIFHSA-N 2 2 302.321 0.967 10 0 DCAELP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000333287517 546076263 /nfs/dbraw/zinc/07/62/63/546076263.db2.gz NUFWKLPFOGZNAW-BFHYXJOUSA-N 2 2 305.426 0.623 10 0 DCAELP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000333423167 546080965 /nfs/dbraw/zinc/08/09/65/546080965.db2.gz SVURBORBVJYEKA-MCIONIFRSA-N 2 2 303.410 0.958 10 0 DCAELP CN(C[C@H]1CCc2[nH+]ccn2C1)C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897472648 662769576 /nfs/dbraw/zinc/76/95/76/662769576.db2.gz KUWQZEYSINNUJN-HIFRSBDPSA-N 2 2 318.421 0.625 10 0 DCAELP Cc1nc(N2C[C@@H]([NH+](C)C)[C@@H](n3ccnn3)C2)c(C)c(C)[nH+]1 ZINC000858757366 671038381 /nfs/dbraw/zinc/03/83/81/671038381.db2.gz OFCTVQVEFPIVFS-KGLIPLIRSA-N 2 2 301.398 0.985 10 0 DCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCN1C(=O)NC(C)(C)C1=O ZINC000178305471 282214526 /nfs/dbraw/zinc/21/45/26/282214526.db2.gz SLGXCYHZEHRXJK-ZDUSSCGKSA-N 2 2 319.409 0.986 10 0 DCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCN1C(=O)NC(C)(C)C1=O ZINC000178305471 282214531 /nfs/dbraw/zinc/21/45/31/282214531.db2.gz SLGXCYHZEHRXJK-ZDUSSCGKSA-N 2 2 319.409 0.986 10 0 DCAELP C[N@@H+]1CCO[C@@H](C(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000173845119 198259091 /nfs/dbraw/zinc/25/90/91/198259091.db2.gz PAEIRRQXBBGZII-CYBMUJFWSA-N 2 2 301.350 0.214 10 0 DCAELP C[N@H+]1CCO[C@@H](C(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000173845119 198259092 /nfs/dbraw/zinc/25/90/92/198259092.db2.gz PAEIRRQXBBGZII-CYBMUJFWSA-N 2 2 301.350 0.214 10 0 DCAELP O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000261985526 296069374 /nfs/dbraw/zinc/06/93/74/296069374.db2.gz SCVHSLASQOYKJH-JONQDZQNSA-N 2 2 307.438 0.840 10 0 DCAELP CCC[C@H]1CN(c2cc(N3CCOCC3)[nH+]c(N)n2)C[C@@H]1[NH3+] ZINC000091707812 193095518 /nfs/dbraw/zinc/09/55/18/193095518.db2.gz IQIYZABOKUPKKM-RYUDHWBXSA-N 2 2 306.414 0.459 10 0 DCAELP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000105215161 194085757 /nfs/dbraw/zinc/08/57/57/194085757.db2.gz SOGUVEXYIGPEQE-OCCSQVGLSA-N 2 2 309.414 0.457 10 0 DCAELP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000105215161 194085761 /nfs/dbraw/zinc/08/57/61/194085761.db2.gz SOGUVEXYIGPEQE-OCCSQVGLSA-N 2 2 309.414 0.457 10 0 DCAELP CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000105896286 194162255 /nfs/dbraw/zinc/16/22/55/194162255.db2.gz OINWTTBWTQLGEI-GFCCVEGCSA-N 2 2 307.398 0.928 10 0 DCAELP CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000105896286 194162256 /nfs/dbraw/zinc/16/22/56/194162256.db2.gz OINWTTBWTQLGEI-GFCCVEGCSA-N 2 2 307.398 0.928 10 0 DCAELP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[NH+](C2CC2)CC1 ZINC000106584309 194234886 /nfs/dbraw/zinc/23/48/86/194234886.db2.gz JJWFZNMTAMTJDA-CQSZACIVSA-N 2 2 309.458 0.112 10 0 DCAELP C[C@@H]1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@@H]1O ZINC000090149567 395718261 /nfs/dbraw/zinc/71/82/61/395718261.db2.gz PSYLZXBLEOAOFL-HIFRSBDPSA-N 2 2 312.458 0.425 10 0 DCAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000105904138 395781102 /nfs/dbraw/zinc/78/11/02/395781102.db2.gz OHLARWMNSWCVAV-JKSUJKDBSA-N 2 2 322.453 0.776 10 0 DCAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000105904138 395781103 /nfs/dbraw/zinc/78/11/03/395781103.db2.gz OHLARWMNSWCVAV-JKSUJKDBSA-N 2 2 322.453 0.776 10 0 DCAELP COc1ccc(CNC(=O)C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000193643898 395775357 /nfs/dbraw/zinc/77/53/57/395775357.db2.gz DDTWDEXBWCOFHB-GASCZTMLSA-N 2 2 303.406 0.805 10 0 DCAELP COc1ccc(CNC(=O)C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000193643898 395775359 /nfs/dbraw/zinc/77/53/59/395775359.db2.gz DDTWDEXBWCOFHB-GASCZTMLSA-N 2 2 303.406 0.805 10 0 DCAELP COc1ccc(CNC(=O)C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1 ZINC000193643898 395775360 /nfs/dbraw/zinc/77/53/60/395775360.db2.gz DDTWDEXBWCOFHB-GASCZTMLSA-N 2 2 303.406 0.805 10 0 DCAELP COc1ccc(CNC(=O)C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1 ZINC000193643898 395775362 /nfs/dbraw/zinc/77/53/62/395775362.db2.gz DDTWDEXBWCOFHB-GASCZTMLSA-N 2 2 303.406 0.805 10 0 DCAELP O=C(CC[N@@H+]1CCc2ccccc2C1)NCC[NH+]1CCOCC1 ZINC000244425109 395925050 /nfs/dbraw/zinc/92/50/50/395925050.db2.gz YVVKWZMZALWKFL-UHFFFAOYSA-N 2 2 317.433 0.883 10 0 DCAELP O=C(CC[N@H+]1CCc2ccccc2C1)NCC[NH+]1CCOCC1 ZINC000244425109 395925053 /nfs/dbraw/zinc/92/50/53/395925053.db2.gz YVVKWZMZALWKFL-UHFFFAOYSA-N 2 2 317.433 0.883 10 0 DCAELP C[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000245985524 395939123 /nfs/dbraw/zinc/93/91/23/395939123.db2.gz PYFIGGKSQMAIDL-RRFJBIMHSA-N 2 2 310.442 0.443 10 0 DCAELP C[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000245985524 395939124 /nfs/dbraw/zinc/93/91/24/395939124.db2.gz PYFIGGKSQMAIDL-RRFJBIMHSA-N 2 2 310.442 0.443 10 0 DCAELP C[NH+]1CCO[C@H](CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)C1 ZINC000245985524 395939125 /nfs/dbraw/zinc/93/91/25/395939125.db2.gz PYFIGGKSQMAIDL-RRFJBIMHSA-N 2 2 310.442 0.443 10 0 DCAELP C[NH+]1CCO[C@H](CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)C1 ZINC000245985524 395939126 /nfs/dbraw/zinc/93/91/26/395939126.db2.gz PYFIGGKSQMAIDL-RRFJBIMHSA-N 2 2 310.442 0.443 10 0 DCAELP C[C@H](CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)C[NH+]1CCOCC1 ZINC000163439509 396086532 /nfs/dbraw/zinc/08/65/32/396086532.db2.gz IKDBXZOIUCSBEE-HZPDHXFCSA-N 2 2 324.469 0.834 10 0 DCAELP COCC[N@@H+]1CCC[C@@H]1CN[C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261982930 396086732 /nfs/dbraw/zinc/08/67/32/396086732.db2.gz RSZWHRNYWAJCJF-VQHPVUNQSA-N 2 2 311.470 0.844 10 0 DCAELP COCC[N@H+]1CCC[C@@H]1CN[C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261982930 396086735 /nfs/dbraw/zinc/08/67/35/396086735.db2.gz RSZWHRNYWAJCJF-VQHPVUNQSA-N 2 2 311.470 0.844 10 0 DCAELP O=C(c1cn(C2CC[NH2+]CC2)nn1)N1CC[NH+](C2CC2)CC1 ZINC000262021631 396090721 /nfs/dbraw/zinc/09/07/21/396090721.db2.gz XUOJRAHRQXWAQG-UHFFFAOYSA-N 2 2 304.398 0.123 10 0 DCAELP C[C@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)CCN1c1nccn2cnnc12 ZINC000262123783 396101426 /nfs/dbraw/zinc/10/14/26/396101426.db2.gz XMNKZQCCXQAECF-XJKSGUPXSA-N 2 2 315.425 0.634 10 0 DCAELP C[C@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)CCN1c1nccn2cnnc12 ZINC000262123783 396101429 /nfs/dbraw/zinc/10/14/29/396101429.db2.gz XMNKZQCCXQAECF-XJKSGUPXSA-N 2 2 315.425 0.634 10 0 DCAELP CCOCC[N@@H+]1CCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)C[C@@H]1CC ZINC000262359254 396130015 /nfs/dbraw/zinc/13/00/15/396130015.db2.gz VARFPMLJMVDBJN-ILXRZTDVSA-N 2 2 313.442 0.323 10 0 DCAELP CCOCC[N@H+]1CCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)C[C@@H]1CC ZINC000262359254 396130021 /nfs/dbraw/zinc/13/00/21/396130021.db2.gz VARFPMLJMVDBJN-ILXRZTDVSA-N 2 2 313.442 0.323 10 0 DCAELP CCOc1ccnc(N2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)n1 ZINC000261960290 396084055 /nfs/dbraw/zinc/08/40/55/396084055.db2.gz HFPJGKNCKHOYHM-INIZCTEOSA-N 2 2 305.426 0.997 10 0 DCAELP COC1CC[NH+](C(C)(C)CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263184191 396205067 /nfs/dbraw/zinc/20/50/67/396205067.db2.gz HCUUHOYJTPNYMR-GFCCVEGCSA-N 2 2 319.396 0.989 10 0 DCAELP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000263219897 396206783 /nfs/dbraw/zinc/20/67/83/396206783.db2.gz LREYDRCXYQZFAK-OLZOCXBDSA-N 2 2 317.380 0.554 10 0 DCAELP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000262663536 396169772 /nfs/dbraw/zinc/16/97/72/396169772.db2.gz HSZWNWKGPMWEFF-OUCADQQQSA-N 2 2 310.442 0.171 10 0 DCAELP CS[C@H]1CN(C(=O)c2n[nH]c3c2C[NH2+]CC3)C[C@H]1[NH+](C)C ZINC000262828265 396185334 /nfs/dbraw/zinc/18/53/34/396185334.db2.gz YZPIDGWTEONBSE-NEPJUHHUSA-N 2 2 309.439 0.173 10 0 DCAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000263313931 396213634 /nfs/dbraw/zinc/21/36/34/396213634.db2.gz ZDVCVFQKDYMLNK-FUHWJXTLSA-N 3 2 303.450 0.863 10 0 DCAELP C[C@H]1CN(Cc2ccc(-n3cc[nH+]c3)nc2)CC[N@@H+]1CCO ZINC000187656485 396372262 /nfs/dbraw/zinc/37/22/62/396372262.db2.gz SQDBQWCRMDMMRH-AWEZNQCLSA-N 2 2 301.394 0.766 10 0 DCAELP C[C@H]1CN(Cc2ccc(-n3cc[nH+]c3)nc2)CC[N@H+]1CCO ZINC000187656485 396372264 /nfs/dbraw/zinc/37/22/64/396372264.db2.gz SQDBQWCRMDMMRH-AWEZNQCLSA-N 2 2 301.394 0.766 10 0 DCAELP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328640901 396829384 /nfs/dbraw/zinc/82/93/84/396829384.db2.gz QIDQCOSLZNDZEN-CQSZACIVSA-N 3 2 305.426 0.151 10 0 DCAELP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328640901 396829387 /nfs/dbraw/zinc/82/93/87/396829387.db2.gz QIDQCOSLZNDZEN-CQSZACIVSA-N 3 2 305.426 0.151 10 0 DCAELP CCS(=O)(=O)NCC[NH2+][C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](OC)C1 ZINC000626049343 397060477 /nfs/dbraw/zinc/06/04/77/397060477.db2.gz KRRLUPKGODDPAN-MJBXVCDLSA-N 2 2 319.471 0.157 10 0 DCAELP CCS(=O)(=O)NCC[NH2+][C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](OC)C1 ZINC000626049343 397060480 /nfs/dbraw/zinc/06/04/80/397060480.db2.gz KRRLUPKGODDPAN-MJBXVCDLSA-N 2 2 319.471 0.157 10 0 DCAELP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000077793219 158069903 /nfs/dbraw/zinc/06/99/03/158069903.db2.gz OCIXIQUATQUTTN-UONOGXRCSA-N 2 2 300.447 0.737 10 0 DCAELP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCC(=O)N2CCOCC2)C1 ZINC000090003398 158100346 /nfs/dbraw/zinc/10/03/46/158100346.db2.gz RLYSIPYVLPKMRJ-OAHLLOKOSA-N 2 2 320.437 0.924 10 0 DCAELP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCC(=O)N2CCOCC2)C1 ZINC000090003398 158100348 /nfs/dbraw/zinc/10/03/48/158100348.db2.gz RLYSIPYVLPKMRJ-OAHLLOKOSA-N 2 2 320.437 0.924 10 0 DCAELP OC[C@H]1CCCN(c2cc(N3CC[NH+](C4CC4)CC3)nc[nH+]2)C1 ZINC000105788723 158130618 /nfs/dbraw/zinc/13/06/18/158130618.db2.gz ISHXPNVCRHWDBV-AWEZNQCLSA-N 2 2 317.437 0.970 10 0 DCAELP C[NH+](C)CC[C@H](NC(=O)NC[C@@H]1C[N@H+](C)CCO1)C(C)(C)C ZINC000116429755 158165362 /nfs/dbraw/zinc/16/53/62/158165362.db2.gz FEGRBZXSWHTULO-KGLIPLIRSA-N 2 2 314.474 0.983 10 0 DCAELP C[NH+](C)CC[C@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCO1)C(C)(C)C ZINC000116429755 158165366 /nfs/dbraw/zinc/16/53/66/158165366.db2.gz FEGRBZXSWHTULO-KGLIPLIRSA-N 2 2 314.474 0.983 10 0 DCAELP C[C@H](NC(=O)NC[C@@H]1C[N@H+](C)CCO1)C(C)(C)C[NH+](C)C ZINC000119443866 158187792 /nfs/dbraw/zinc/18/77/92/158187792.db2.gz ZORWKUHEUQGPPU-QWHCGFSZSA-N 2 2 300.447 0.593 10 0 DCAELP C[C@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCO1)C(C)(C)C[NH+](C)C ZINC000119443866 158187795 /nfs/dbraw/zinc/18/77/95/158187795.db2.gz ZORWKUHEUQGPPU-QWHCGFSZSA-N 2 2 300.447 0.593 10 0 DCAELP C[C@H]1C[C@H]([NH+](C)CC(=O)NCCCN2CCCC2=O)CC[N@@H+]1C ZINC000123696593 158233094 /nfs/dbraw/zinc/23/30/94/158233094.db2.gz IYVLZTUWAXLFMM-LSDHHAIUSA-N 2 2 324.469 0.530 10 0 DCAELP C[C@H]1C[C@H]([NH+](C)CC(=O)NCCCN2CCCC2=O)CC[N@H+]1C ZINC000123696593 158233095 /nfs/dbraw/zinc/23/30/95/158233095.db2.gz IYVLZTUWAXLFMM-LSDHHAIUSA-N 2 2 324.469 0.530 10 0 DCAELP C[C@H]1C[C@H]([N@H+](C)CC(=O)NCCCN2CCCC2=O)CC[NH+]1C ZINC000123696593 158233096 /nfs/dbraw/zinc/23/30/96/158233096.db2.gz IYVLZTUWAXLFMM-LSDHHAIUSA-N 2 2 324.469 0.530 10 0 DCAELP C[C@H]1C[C@H]([N@@H+](C)CC(=O)NCCCN2CCCC2=O)CC[NH+]1C ZINC000123696593 158233097 /nfs/dbraw/zinc/23/30/97/158233097.db2.gz IYVLZTUWAXLFMM-LSDHHAIUSA-N 2 2 324.469 0.530 10 0 DCAELP CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000123847490 158234219 /nfs/dbraw/zinc/23/42/19/158234219.db2.gz KCEJDGAVJFMRFN-ZDUSSCGKSA-N 2 2 321.425 0.910 10 0 DCAELP CCCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000123847490 158234220 /nfs/dbraw/zinc/23/42/20/158234220.db2.gz KCEJDGAVJFMRFN-ZDUSSCGKSA-N 2 2 321.425 0.910 10 0 DCAELP C[C@H](CC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000127308263 158273012 /nfs/dbraw/zinc/27/30/12/158273012.db2.gz URTBPNBUKZVNPX-BZUAXINKSA-N 2 2 309.454 0.945 10 0 DCAELP Cn1nncc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000328946164 159045129 /nfs/dbraw/zinc/04/51/29/159045129.db2.gz JXGVRBIKGXBZDF-SWLSCSKDSA-N 2 2 303.414 0.721 10 0 DCAELP Cn1nncc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000328946164 159045131 /nfs/dbraw/zinc/04/51/31/159045131.db2.gz JXGVRBIKGXBZDF-SWLSCSKDSA-N 2 2 303.414 0.721 10 0 DCAELP O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000332901506 415509248 /nfs/dbraw/zinc/50/92/48/415509248.db2.gz OROULTWLLMNZGH-QWHCGFSZSA-N 2 2 301.394 0.923 10 0 DCAELP O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000332901506 415509256 /nfs/dbraw/zinc/50/92/56/415509256.db2.gz OROULTWLLMNZGH-QWHCGFSZSA-N 2 2 301.394 0.923 10 0 DCAELP Cc1cc(N2CCC[C@H]([NH2+][C@H](C)[C@H]3CCC[NH2+]3)C2=O)n(C)n1 ZINC000333318629 415609664 /nfs/dbraw/zinc/60/96/64/415609664.db2.gz UBFWFYNVKCIYRA-MCIONIFRSA-N 2 2 305.426 0.954 10 0 DCAELP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)CCO1 ZINC000333456590 415656742 /nfs/dbraw/zinc/65/67/42/415656742.db2.gz OQIKROYKSDVTRT-ZIAGYGMSSA-N 2 2 321.425 0.733 10 0 DCAELP Cn1ncc2c1nc(N1CCC[C@H]([C@H]3CC[NH2+]C3)C1)[nH+]c2N ZINC000333899842 415761822 /nfs/dbraw/zinc/76/18/22/415761822.db2.gz YXZCJCJLHLJKOE-QWRGUYRKSA-N 2 2 301.398 0.771 10 0 DCAELP CC[N@@H+]1CC[C@H](NC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000334117483 415809143 /nfs/dbraw/zinc/80/91/43/415809143.db2.gz IJBCDWBLLJZVJJ-UONOGXRCSA-N 2 2 320.441 0.512 10 0 DCAELP CC[N@H+]1CC[C@H](NC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000334117483 415809150 /nfs/dbraw/zinc/80/91/50/415809150.db2.gz IJBCDWBLLJZVJJ-UONOGXRCSA-N 2 2 320.441 0.512 10 0 DCAELP Cn1cc(C[N@@H+]2CCCN(CCC[NH+]3CCOCC3)CC2)cn1 ZINC000173690783 416064424 /nfs/dbraw/zinc/06/44/24/416064424.db2.gz NKSDHSPFUSPWIR-UHFFFAOYSA-N 2 2 321.469 0.650 10 0 DCAELP Cn1cc(C[N@H+]2CCCN(CCC[NH+]3CCOCC3)CC2)cn1 ZINC000173690783 416064437 /nfs/dbraw/zinc/06/44/37/416064437.db2.gz NKSDHSPFUSPWIR-UHFFFAOYSA-N 2 2 321.469 0.650 10 0 DCAELP Cc1[nH+]ccn1CCCCNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000176431785 416126403 /nfs/dbraw/zinc/12/64/03/416126403.db2.gz BQUGOEPDLDODFI-CQSZACIVSA-N 2 2 309.414 0.602 10 0 DCAELP Cc1[nH+]ccn1CCCCNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000176431785 416126406 /nfs/dbraw/zinc/12/64/06/416126406.db2.gz BQUGOEPDLDODFI-CQSZACIVSA-N 2 2 309.414 0.602 10 0 DCAELP Cn1cc[nH+]c1CC1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000180480040 416196851 /nfs/dbraw/zinc/19/68/51/416196851.db2.gz ILFSMIVQXCQURO-UHFFFAOYSA-N 2 2 319.453 0.449 10 0 DCAELP CN(C)c1nc(N2CC[NH+]([C@@H]3CCCN(C)C3=O)CC2)cc[nH+]1 ZINC000537610213 416560087 /nfs/dbraw/zinc/56/00/87/416560087.db2.gz IRTYOOSPMDJEAT-CYBMUJFWSA-N 2 2 318.425 0.285 10 0 DCAELP CC1=CC[NH+](CCNC(=O)NCC[N@H+]2CCOC[C@H]2C)CC1 ZINC000545150848 416663171 /nfs/dbraw/zinc/66/31/71/416663171.db2.gz YUSSOEUOJMVTPC-OAHLLOKOSA-N 2 2 310.442 0.658 10 0 DCAELP CC1=CC[NH+](CCNC(=O)NCC[N@@H+]2CCOC[C@H]2C)CC1 ZINC000545150848 416663176 /nfs/dbraw/zinc/66/31/76/416663176.db2.gz YUSSOEUOJMVTPC-OAHLLOKOSA-N 2 2 310.442 0.658 10 0 DCAELP CC1=CC[N@H+](CCNC(=O)NCC[NH+]2CCOC[C@H]2C)CC1 ZINC000545150848 416663178 /nfs/dbraw/zinc/66/31/78/416663178.db2.gz YUSSOEUOJMVTPC-OAHLLOKOSA-N 2 2 310.442 0.658 10 0 DCAELP CC1=CC[N@@H+](CCNC(=O)NCC[NH+]2CCOC[C@H]2C)CC1 ZINC000545150848 416663180 /nfs/dbraw/zinc/66/31/80/416663180.db2.gz YUSSOEUOJMVTPC-OAHLLOKOSA-N 2 2 310.442 0.658 10 0 DCAELP Nc1cc([C@H]2C[NH2+]CCN2S(=O)(=O)c2ccccc2)cc[nH+]1 ZINC000616638009 417086067 /nfs/dbraw/zinc/08/60/67/417086067.db2.gz FGSORRBWYUTYCB-CQSZACIVSA-N 2 2 318.402 0.999 10 0 DCAELP CN(C)c1nc(N2CC[NH+](Cc3cccnc3N)CC2)cc[nH+]1 ZINC000450431241 287449793 /nfs/dbraw/zinc/44/97/93/287449793.db2.gz XZURBJMMNJUYFP-UHFFFAOYSA-N 2 2 313.409 0.842 10 0 DCAELP CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000363458776 271191447 /nfs/dbraw/zinc/19/14/47/271191447.db2.gz BEHFKRFVQGZVRS-ZIAGYGMSSA-N 2 2 303.472 0.873 10 0 DCAELP CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000363458776 271191453 /nfs/dbraw/zinc/19/14/53/271191453.db2.gz BEHFKRFVQGZVRS-ZIAGYGMSSA-N 2 2 303.472 0.873 10 0 DCAELP CC(C)NS(=O)(=O)[C@@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000363458776 271191458 /nfs/dbraw/zinc/19/14/58/271191458.db2.gz BEHFKRFVQGZVRS-ZIAGYGMSSA-N 2 2 303.472 0.873 10 0 DCAELP CC(C)NS(=O)(=O)[C@@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000363458776 271191464 /nfs/dbraw/zinc/19/14/64/271191464.db2.gz BEHFKRFVQGZVRS-ZIAGYGMSSA-N 2 2 303.472 0.873 10 0 DCAELP O[C@H](C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)Cn1ccnn1 ZINC000459691283 272004592 /nfs/dbraw/zinc/00/45/92/272004592.db2.gz GGNJJONEYHCJQI-DLBZAZTESA-N 2 2 315.421 0.893 10 0 DCAELP O[C@H](C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)Cn1ccnn1 ZINC000459691283 272004594 /nfs/dbraw/zinc/00/45/94/272004594.db2.gz GGNJJONEYHCJQI-DLBZAZTESA-N 2 2 315.421 0.893 10 0 DCAELP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000408389921 277237029 /nfs/dbraw/zinc/23/70/29/277237029.db2.gz PIKOTMKHMXSXEU-RYUDHWBXSA-N 2 2 319.409 0.853 10 0 DCAELP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000408389921 277237030 /nfs/dbraw/zinc/23/70/30/277237030.db2.gz PIKOTMKHMXSXEU-RYUDHWBXSA-N 2 2 319.409 0.853 10 0 DCAELP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)CCc1c[nH+]cn1C ZINC000329577269 289045199 /nfs/dbraw/zinc/04/51/99/289045199.db2.gz OOVQPJFVCPGZTQ-UKRRQHHQSA-N 2 2 306.410 0.674 10 0 DCAELP C[NH+]1CCC(CNC(=O)[C@H]2CNC(=O)C2)([NH+]2CCCCC2)CC1 ZINC000172752953 289878350 /nfs/dbraw/zinc/87/83/50/289878350.db2.gz LOPGIDBBYQLZMT-CQSZACIVSA-N 2 2 322.453 0.189 10 0 DCAELP [NH3+]C[C@@H](C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC000238017200 295241493 /nfs/dbraw/zinc/24/14/93/295241493.db2.gz CHYKIWXXGJFIQB-HZPDHXFCSA-N 2 2 303.406 0.662 10 0 DCAELP CO[C@@H]1CC[C@@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1 ZINC000364999450 523701776 /nfs/dbraw/zinc/70/17/76/523701776.db2.gz FLURDTRMRWZILX-IAGOWNOFSA-N 2 2 311.470 0.940 10 0 DCAELP CO[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC000364999450 523701785 /nfs/dbraw/zinc/70/17/85/523701785.db2.gz FLURDTRMRWZILX-IAGOWNOFSA-N 2 2 311.470 0.940 10 0 DCAELP [NH3+][C@@H]1CC[C@H](C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000246258825 527369754 /nfs/dbraw/zinc/36/97/54/527369754.db2.gz KUMGCTOBWFHHSW-GUTXKFCHSA-N 2 2 313.467 0.438 10 0 DCAELP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)c(OC(F)F)c1 ZINC000262102482 545979316 /nfs/dbraw/zinc/97/93/16/545979316.db2.gz IZIQPGLHXLRAIT-ZYHUDNBSSA-N 2 2 302.321 0.967 10 0 DCAELP CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)CC1 ZINC000322127731 546035315 /nfs/dbraw/zinc/03/53/15/546035315.db2.gz SSHKGIGDSVIKRY-JKSUJKDBSA-N 2 2 322.453 0.141 10 0 DCAELP CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)CC1 ZINC000322127731 546035326 /nfs/dbraw/zinc/03/53/26/546035326.db2.gz SSHKGIGDSVIKRY-JKSUJKDBSA-N 2 2 322.453 0.141 10 0 DCAELP CC(C)(CNC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)[NH+]1CCOCC1 ZINC000333393764 546079977 /nfs/dbraw/zinc/07/99/77/546079977.db2.gz PCRFEQVQKTXKBP-KBPBESRZSA-N 2 2 310.442 0.348 10 0 DCAELP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000333802824 546092752 /nfs/dbraw/zinc/09/27/52/546092752.db2.gz IBSPFZZDVBVQOA-IMJJTQAJSA-N 2 2 324.469 0.879 10 0 DCAELP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000333802824 546092760 /nfs/dbraw/zinc/09/27/60/546092760.db2.gz IBSPFZZDVBVQOA-IMJJTQAJSA-N 2 2 324.469 0.879 10 0 DCAELP Cn1ncc(Br)c1C[NH2+]C1CC[NH+](CCO)CC1 ZINC000683768916 548517669 /nfs/dbraw/zinc/51/76/69/548517669.db2.gz LIOSGTXWXRGALR-UHFFFAOYSA-N 2 2 317.231 0.729 10 0 DCAELP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)CCc1[nH]cc[nH+]1)C2 ZINC000888095263 661165997 /nfs/dbraw/zinc/16/59/97/661165997.db2.gz SZPKIOLJGPRDAB-OMNBBPDLSA-N 2 2 320.437 0.938 10 0 DCAELP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)CCc1[nH]cc[nH+]1)C2 ZINC000888095263 661165999 /nfs/dbraw/zinc/16/59/99/661165999.db2.gz SZPKIOLJGPRDAB-OMNBBPDLSA-N 2 2 320.437 0.938 10 0 DCAELP Cc1noc(C[C@@]2(O)CCC[N@H+](CCn3cc[nH+]c3C)C2)n1 ZINC000886080241 667729664 /nfs/dbraw/zinc/72/96/64/667729664.db2.gz QXGRTBDYIOOPIX-HNNXBMFYSA-N 2 2 305.382 0.953 10 0 DCAELP Cc1noc(C[C@@]2(O)CCC[N@@H+](CCn3cc[nH+]c3C)C2)n1 ZINC000886080241 667729666 /nfs/dbraw/zinc/72/96/66/667729666.db2.gz QXGRTBDYIOOPIX-HNNXBMFYSA-N 2 2 305.382 0.953 10 0 DCAELP CC(C)[C@@H](CNC(=[NH2+])NC[C@@H]1CCCO1)[NH+]1CCN(C)CC1 ZINC000066245103 685065325 /nfs/dbraw/zinc/06/53/25/685065325.db2.gz ZKYRDDZJJQTGTD-LSDHHAIUSA-N 2 2 311.474 0.342 10 0 DCAELP CC[C@@H](O)C[NH+]1CCN(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000181527660 199312260 /nfs/dbraw/zinc/31/22/60/199312260.db2.gz ZUGOCHHFVWKBHA-CQSZACIVSA-N 2 2 309.414 0.371 10 0 DCAELP C[C@H]1CN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)C[C@@H]1[NH+](C)C ZINC000274965976 212046512 /nfs/dbraw/zinc/04/65/12/212046512.db2.gz XGPLUGNSNHUWNJ-STQMWFEESA-N 2 2 318.425 0.141 10 0 DCAELP C[NH+]1CCN(Nc2[nH+]cnc(Oc3cccnc3)c2N)CC1 ZINC000040757001 183129762 /nfs/dbraw/zinc/12/97/62/183129762.db2.gz QYNWKICGVYBFBN-UHFFFAOYSA-N 2 2 301.354 0.820 10 0 DCAELP CC[NH+]1CCC(NC(=O)C[N@H+](C)CC(=O)NC(C)(C)C)CC1 ZINC000061785313 184187264 /nfs/dbraw/zinc/18/72/64/184187264.db2.gz VBCZTAXSJYGGJD-UHFFFAOYSA-N 2 2 312.458 0.433 10 0 DCAELP CC[NH+]1CCC(NC(=O)C[N@@H+](C)CC(=O)NC(C)(C)C)CC1 ZINC000061785313 184187265 /nfs/dbraw/zinc/18/72/65/184187265.db2.gz VBCZTAXSJYGGJD-UHFFFAOYSA-N 2 2 312.458 0.433 10 0 DCAELP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1cc(F)c(F)c(F)c1 ZINC000062719141 184250776 /nfs/dbraw/zinc/25/07/76/184250776.db2.gz ZEXDUWSWBSEOLL-UHFFFAOYSA-N 2 2 301.312 0.968 10 0 DCAELP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1cc(F)c(F)c(F)c1 ZINC000062719141 184250778 /nfs/dbraw/zinc/25/07/78/184250778.db2.gz ZEXDUWSWBSEOLL-UHFFFAOYSA-N 2 2 301.312 0.968 10 0 DCAELP COC(=O)[C@@H](C)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000119612943 195002564 /nfs/dbraw/zinc/00/25/64/195002564.db2.gz KPGHHDLKVXCYKA-CYBMUJFWSA-N 2 2 311.426 0.424 10 0 DCAELP C[N@@H+]1CCO[C@H]2CCN(C(=O)NCCCn3cc[nH+]c3)C[C@@H]21 ZINC000284167601 131055631 /nfs/dbraw/zinc/05/56/31/131055631.db2.gz WVRIDGGHGZTBGB-KBPBESRZSA-N 2 2 307.398 0.388 10 0 DCAELP C[N@H+]1CCO[C@H]2CCN(C(=O)NCCCn3cc[nH+]c3)C[C@@H]21 ZINC000284167601 131055632 /nfs/dbraw/zinc/05/56/32/131055632.db2.gz WVRIDGGHGZTBGB-KBPBESRZSA-N 2 2 307.398 0.388 10 0 DCAELP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1 ZINC000193621922 395774391 /nfs/dbraw/zinc/77/43/91/395774391.db2.gz YGKBIFUDVUANTI-KFWWJZLASA-N 2 2 323.437 0.282 10 0 DCAELP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1 ZINC000193621922 395774395 /nfs/dbraw/zinc/77/43/95/395774395.db2.gz YGKBIFUDVUANTI-KFWWJZLASA-N 2 2 323.437 0.282 10 0 DCAELP CCOC(=O)[C@@H]1CCCN(C(=O)C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)C1 ZINC000193621922 395774397 /nfs/dbraw/zinc/77/43/97/395774397.db2.gz YGKBIFUDVUANTI-KFWWJZLASA-N 2 2 323.437 0.282 10 0 DCAELP CCOC(=O)[C@@H]1CCCN(C(=O)C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)C1 ZINC000193621922 395774400 /nfs/dbraw/zinc/77/44/00/395774400.db2.gz YGKBIFUDVUANTI-KFWWJZLASA-N 2 2 323.437 0.282 10 0 DCAELP COc1ccccc1CCNC(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193643470 395775873 /nfs/dbraw/zinc/77/58/73/395775873.db2.gz IPSLBYRGRORDHO-IYBDPMFKSA-N 2 2 317.433 0.847 10 0 DCAELP COc1ccccc1CCNC(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193643470 395775877 /nfs/dbraw/zinc/77/58/77/395775877.db2.gz IPSLBYRGRORDHO-IYBDPMFKSA-N 2 2 317.433 0.847 10 0 DCAELP COc1ccccc1CCNC(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193643470 395775880 /nfs/dbraw/zinc/77/58/80/395775880.db2.gz IPSLBYRGRORDHO-IYBDPMFKSA-N 2 2 317.433 0.847 10 0 DCAELP COc1ccccc1CCNC(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193643470 395775883 /nfs/dbraw/zinc/77/58/83/395775883.db2.gz IPSLBYRGRORDHO-IYBDPMFKSA-N 2 2 317.433 0.847 10 0 DCAELP C[NH+](C)C[C@@H]1CN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)CCO1 ZINC000116789293 395846493 /nfs/dbraw/zinc/84/64/93/395846493.db2.gz NGHIDPSQUBVIAU-CQSZACIVSA-N 2 2 315.377 0.670 10 0 DCAELP C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000245416078 395929373 /nfs/dbraw/zinc/92/93/73/395929373.db2.gz DVZWJMPUGIMQFV-LSDHHAIUSA-N 2 2 310.442 0.444 10 0 DCAELP C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000245416078 395929375 /nfs/dbraw/zinc/92/93/75/395929375.db2.gz DVZWJMPUGIMQFV-LSDHHAIUSA-N 2 2 310.442 0.444 10 0 DCAELP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246518649 395951917 /nfs/dbraw/zinc/95/19/17/395951917.db2.gz VPPVGCPHIJRNAG-GJZGRUSLSA-N 2 2 310.442 0.587 10 0 DCAELP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000246518649 395951918 /nfs/dbraw/zinc/95/19/18/395951918.db2.gz VPPVGCPHIJRNAG-GJZGRUSLSA-N 2 2 310.442 0.587 10 0 DCAELP CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](C)[NH+]2CCOCC2)C1 ZINC000247399413 395972409 /nfs/dbraw/zinc/97/24/09/395972409.db2.gz WYSKORCDPZCOQR-GJZGRUSLSA-N 2 2 312.458 0.690 10 0 DCAELP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](C)[NH+]2CCOCC2)C1 ZINC000247399413 395972412 /nfs/dbraw/zinc/97/24/12/395972412.db2.gz WYSKORCDPZCOQR-GJZGRUSLSA-N 2 2 312.458 0.690 10 0 DCAELP O=C(NCC[NH+]1CCOCC1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000069894376 396093943 /nfs/dbraw/zinc/09/39/43/396093943.db2.gz LPYWWPKTKUIQNA-MRXNPFEDSA-N 2 2 324.469 0.979 10 0 DCAELP C[C@H](C[NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000262390863 396134515 /nfs/dbraw/zinc/13/45/15/396134515.db2.gz OEVBNIYNFBIPLH-JHJVBQTASA-N 2 2 306.410 0.906 10 0 DCAELP O=C(NC1CC[NH+](C2CC2)CC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173769554 396135998 /nfs/dbraw/zinc/13/59/98/396135998.db2.gz LNCOZSFPCGTDDO-MRXNPFEDSA-N 2 2 322.453 0.729 10 0 DCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173864541 396136098 /nfs/dbraw/zinc/13/60/98/396136098.db2.gz KOEVIFXODUPATD-HUUCEWRRSA-N 2 2 308.426 0.363 10 0 DCAELP CC1CCC(NC(=O)C[N@H+](C)CC(=O)N2CC[NH2+]CC2)CC1 ZINC000261956287 396084414 /nfs/dbraw/zinc/08/44/14/396084414.db2.gz NYCYHFQOOIOSGV-UHFFFAOYSA-N 2 2 310.442 0.045 10 0 DCAELP CC1CCC(NC(=O)C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)CC1 ZINC000261956287 396084415 /nfs/dbraw/zinc/08/44/15/396084415.db2.gz NYCYHFQOOIOSGV-UHFFFAOYSA-N 2 2 310.442 0.045 10 0 DCAELP C[C@@H]1CN(C(=O)NCCCn2cc[nH+]c2)C[C@H]1[NH+]1CCOCC1 ZINC000177297131 396171277 /nfs/dbraw/zinc/17/12/77/396171277.db2.gz DXXOYHPFFCKGPZ-HUUCEWRRSA-N 2 2 321.425 0.635 10 0 DCAELP C[C@@H]1CN(C(=O)NCCCn2cc[nH+]c2)C[C@@H]1[NH+]1CCOCC1 ZINC000177297102 396171284 /nfs/dbraw/zinc/17/12/84/396171284.db2.gz DXXOYHPFFCKGPZ-CABCVRRESA-N 2 2 321.425 0.635 10 0 DCAELP COc1ccc([C@@H](NC(=O)C2C[NH2+]C2)c2[nH+]ccn2C)cc1 ZINC000263335619 396214533 /nfs/dbraw/zinc/21/45/33/396214533.db2.gz WCUBPPWACADVAQ-CQSZACIVSA-N 2 2 300.362 0.854 10 0 DCAELP O=S(=O)(CC[NH+]1CCCC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000189425953 396395360 /nfs/dbraw/zinc/39/53/60/396395360.db2.gz NWZFHUYWGLNYJB-UHFFFAOYSA-N 2 2 312.439 0.946 10 0 DCAELP c1c(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)nnn1C[C@@H]1CCOC1 ZINC000631040795 397160036 /nfs/dbraw/zinc/16/00/36/397160036.db2.gz VJHVKNWEUYUBSV-KBPBESRZSA-N 2 2 305.426 0.889 10 0 DCAELP c1c(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)nnn1C[C@@H]1CCOC1 ZINC000631040795 397160040 /nfs/dbraw/zinc/16/00/40/397160040.db2.gz VJHVKNWEUYUBSV-KBPBESRZSA-N 2 2 305.426 0.889 10 0 DCAELP C[NH+](C)CC[C@@H](NC(=O)NC[C@@H]1C[N@H+](C)CCO1)C(C)(C)C ZINC000116429753 158165402 /nfs/dbraw/zinc/16/54/02/158165402.db2.gz FEGRBZXSWHTULO-ZIAGYGMSSA-N 2 2 314.474 0.983 10 0 DCAELP C[NH+](C)CC[C@@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCO1)C(C)(C)C ZINC000116429753 158165404 /nfs/dbraw/zinc/16/54/04/158165404.db2.gz FEGRBZXSWHTULO-ZIAGYGMSSA-N 2 2 314.474 0.983 10 0 DCAELP CN(C)c1[nH+]cccc1CNC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000117031714 158170018 /nfs/dbraw/zinc/17/00/18/158170018.db2.gz BPMNYAJEKSCZOM-CQSZACIVSA-N 2 2 321.425 0.620 10 0 DCAELP CCS(=O)(=O)NCC[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123644341 158233364 /nfs/dbraw/zinc/23/33/64/158233364.db2.gz RCEJOZQACYAWBS-CYBMUJFWSA-N 2 2 314.455 0.614 10 0 DCAELP CCS(=O)(=O)NCC[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123644341 158233366 /nfs/dbraw/zinc/23/33/66/158233366.db2.gz RCEJOZQACYAWBS-CYBMUJFWSA-N 2 2 314.455 0.614 10 0 DCAELP C[C@@H]1CN(c2ccc(CNC(=O)C3([NH3+])CC3)c[nH+]2)C[C@@H](C)O1 ZINC000164669879 158363269 /nfs/dbraw/zinc/36/32/69/158363269.db2.gz YZEZHXSYBFTJNF-VXGBXAGGSA-N 2 2 304.394 0.803 10 0 DCAELP CC[NH+](CC)CCS(=O)(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000408213223 160061798 /nfs/dbraw/zinc/06/17/98/160061798.db2.gz FKYPMIVVFPYHOA-KGLIPLIRSA-N 2 2 319.471 0.063 10 0 DCAELP CC[NH+](CC)CCS(=O)(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000408213223 160061800 /nfs/dbraw/zinc/06/18/00/160061800.db2.gz FKYPMIVVFPYHOA-KGLIPLIRSA-N 2 2 319.471 0.063 10 0 DCAELP CCOC(=O)CN(C)C(=O)C[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000245439010 287069042 /nfs/dbraw/zinc/06/90/42/287069042.db2.gz SMIZWQZREWLQIZ-KBPBESRZSA-N 2 2 313.442 0.670 10 0 DCAELP CCOC(=O)CN(C)C(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000245439010 287069045 /nfs/dbraw/zinc/06/90/45/287069045.db2.gz SMIZWQZREWLQIZ-KBPBESRZSA-N 2 2 313.442 0.670 10 0 DCAELP CCOC(=O)CN(C)C(=O)C[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000245439010 287069049 /nfs/dbraw/zinc/06/90/49/287069049.db2.gz SMIZWQZREWLQIZ-KBPBESRZSA-N 2 2 313.442 0.670 10 0 DCAELP CCOC(=O)CN(C)C(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000245439010 287069051 /nfs/dbraw/zinc/06/90/51/287069051.db2.gz SMIZWQZREWLQIZ-KBPBESRZSA-N 2 2 313.442 0.670 10 0 DCAELP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000333475146 415660844 /nfs/dbraw/zinc/66/08/44/415660844.db2.gz BJLVIYDCNIBEOT-KFWWJZLASA-N 2 2 310.442 0.491 10 0 DCAELP Cc1cccc(NC[C@@H]2CC[N@H+](CCNS(C)(=O)=O)C2)[nH+]1 ZINC000107300341 415665187 /nfs/dbraw/zinc/66/51/87/415665187.db2.gz RMJDIDSGYFHZMS-ZDUSSCGKSA-N 2 2 312.439 0.673 10 0 DCAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CCNS(C)(=O)=O)C2)[nH+]1 ZINC000107300341 415665192 /nfs/dbraw/zinc/66/51/92/415665192.db2.gz RMJDIDSGYFHZMS-ZDUSSCGKSA-N 2 2 312.439 0.673 10 0 DCAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCNC(=O)CC3)c2cc1C ZINC000126131569 415873464 /nfs/dbraw/zinc/87/34/64/415873464.db2.gz BTAQIHOFXFAMAH-CQSZACIVSA-N 2 2 316.405 0.836 10 0 DCAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCNC(=O)CC3)c2cc1C ZINC000126131569 415873468 /nfs/dbraw/zinc/87/34/68/415873468.db2.gz BTAQIHOFXFAMAH-CQSZACIVSA-N 2 2 316.405 0.836 10 0 DCAELP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)C1 ZINC000173912032 416068860 /nfs/dbraw/zinc/06/88/60/416068860.db2.gz HQHJDWMBPNPVRY-KBPBESRZSA-N 2 2 324.469 0.386 10 0 DCAELP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)C1 ZINC000173912032 416068863 /nfs/dbraw/zinc/06/88/63/416068863.db2.gz HQHJDWMBPNPVRY-KBPBESRZSA-N 2 2 324.469 0.386 10 0 DCAELP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)C1 ZINC000173912032 416068866 /nfs/dbraw/zinc/06/88/66/416068866.db2.gz HQHJDWMBPNPVRY-KBPBESRZSA-N 2 2 324.469 0.386 10 0 DCAELP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)C1 ZINC000173912032 416068869 /nfs/dbraw/zinc/06/88/69/416068869.db2.gz HQHJDWMBPNPVRY-KBPBESRZSA-N 2 2 324.469 0.386 10 0 DCAELP CC[NH+]1CCC(CCNC(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000174748019 416086657 /nfs/dbraw/zinc/08/66/57/416086657.db2.gz FQUNSBUWIVFEOE-HNNXBMFYSA-N 2 2 312.458 0.738 10 0 DCAELP CC[NH+]1CCC(CCNC(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000174748019 416086662 /nfs/dbraw/zinc/08/66/62/416086662.db2.gz FQUNSBUWIVFEOE-HNNXBMFYSA-N 2 2 312.458 0.738 10 0 DCAELP C[NH+](C)Cc1cc(CNC(=O)[C@H]2C[N@H+](C)CCO2)ccc1F ZINC000174880658 416090158 /nfs/dbraw/zinc/09/01/58/416090158.db2.gz IEWMRQVSNQSPOH-OAHLLOKOSA-N 2 2 309.385 0.834 10 0 DCAELP C[NH+](C)Cc1cc(CNC(=O)[C@H]2C[N@@H+](C)CCO2)ccc1F ZINC000174880658 416090161 /nfs/dbraw/zinc/09/01/61/416090161.db2.gz IEWMRQVSNQSPOH-OAHLLOKOSA-N 2 2 309.385 0.834 10 0 DCAELP C1=CC[NH+]([C@@H]2CCN(c3nc(N[C@@H]4CCCOC4)cc[nH+]3)C2)C1 ZINC000328656179 416126055 /nfs/dbraw/zinc/12/60/55/416126055.db2.gz ZBSVWGHJTPTUFM-HUUCEWRRSA-N 2 2 315.421 1.518 10 0 DCAELP C[C@H](CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)[NH+]1CCOCC1 ZINC000177394593 416144310 /nfs/dbraw/zinc/14/43/10/416144310.db2.gz SJYUOCWZRVSTMZ-HUUCEWRRSA-N 2 2 321.425 0.778 10 0 DCAELP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000178886708 416176447 /nfs/dbraw/zinc/17/64/47/416176447.db2.gz QDHBSAANZQXHHN-LSDHHAIUSA-N 2 2 319.453 0.809 10 0 DCAELP Cn1c(C[N@H+](C)CCCN2CC[NH+](C)CC2)nnc1C1CC1 ZINC000179250171 416184461 /nfs/dbraw/zinc/18/44/61/416184461.db2.gz PAZIKDGOBBJMEC-UHFFFAOYSA-N 2 2 306.458 0.762 10 0 DCAELP Cn1c(C[N@@H+](C)CCCN2CC[NH+](C)CC2)nnc1C1CC1 ZINC000179250171 416184465 /nfs/dbraw/zinc/18/44/65/416184465.db2.gz PAZIKDGOBBJMEC-UHFFFAOYSA-N 2 2 306.458 0.762 10 0 DCAELP CCC[C@@H](C(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1)[NH+](C)C ZINC000179501615 261113100 /nfs/dbraw/zinc/11/31/00/261113100.db2.gz ONLKUAKLRAGHCC-KGLIPLIRSA-N 2 2 313.442 0.813 10 0 DCAELP C[C@H](NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)[C@H](C)[NH+]1CCOCC1 ZINC000246525569 278239337 /nfs/dbraw/zinc/23/93/37/278239337.db2.gz WDRDRAYDKFLYEI-JYJNAYRXSA-N 2 2 324.469 0.975 10 0 DCAELP C[C@H](NC(=O)N1CC[N@H+]2CCCC[C@H]2C1)[C@H](C)[NH+]1CCOCC1 ZINC000246525569 278239339 /nfs/dbraw/zinc/23/93/39/278239339.db2.gz WDRDRAYDKFLYEI-JYJNAYRXSA-N 2 2 324.469 0.975 10 0 DCAELP CC[C@@H](C(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1)[NH+](C)C ZINC000152002216 280069203 /nfs/dbraw/zinc/06/92/03/280069203.db2.gz BPFZYTVWIZWERT-CVEARBPZSA-N 2 2 310.486 0.955 10 0 DCAELP CC(=O)NC1C[NH+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000191729882 519649740 /nfs/dbraw/zinc/64/97/40/519649740.db2.gz ZKEOVPDZKKLAIV-HNNXBMFYSA-N 2 2 316.405 0.834 10 0 DCAELP CCCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000105797698 519892550 /nfs/dbraw/zinc/89/25/50/519892550.db2.gz FLTAFNYAGIZJBC-STQMWFEESA-N 2 2 320.441 0.991 10 0 DCAELP CSCC[C@H]([NH3+])C(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000157360332 525579055 /nfs/dbraw/zinc/57/90/55/525579055.db2.gz SXBYQEHGLMZGED-QWRGUYRKSA-N 2 2 316.496 0.702 10 0 DCAELP CC(C)(C)OC(=O)N1CC[NH2+][C@H](c2cnnn2C2C[NH2+]C2)C1 ZINC000685952020 548748898 /nfs/dbraw/zinc/74/88/98/548748898.db2.gz PDDWHOXTBKKDHL-NSHDSACASA-N 2 2 308.386 0.304 10 0 DCAELP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)CCc1[nH]cc[nH+]1)C2 ZINC000888095261 661165840 /nfs/dbraw/zinc/16/58/40/661165840.db2.gz SZPKIOLJGPRDAB-KFZJALRRSA-N 2 2 320.437 0.938 10 0 DCAELP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)CCc1[nH]cc[nH+]1)C2 ZINC000888095261 661165843 /nfs/dbraw/zinc/16/58/43/661165843.db2.gz SZPKIOLJGPRDAB-KFZJALRRSA-N 2 2 320.437 0.938 10 0 DCAELP COC(=O)c1ncn(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)n1 ZINC000176074253 657797957 /nfs/dbraw/zinc/79/79/57/657797957.db2.gz BTZARIRWTBALIV-LBPRGKRZSA-N 2 2 304.354 0.692 10 0 DCAELP COC(=O)c1ncn(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)n1 ZINC000176074253 657797967 /nfs/dbraw/zinc/79/79/67/657797967.db2.gz BTZARIRWTBALIV-LBPRGKRZSA-N 2 2 304.354 0.692 10 0 DCAELP C[C@@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2)C[C@H]1[NH+]1CCOCC1 ZINC000252671446 685187073 /nfs/dbraw/zinc/18/70/73/685187073.db2.gz VUHWZIQZYYNTRB-BMFZPTHFSA-N 2 2 303.406 0.866 10 0 DCAELP COc1ccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2[NH2+]Cc2c[nH+]c[nH]2)cc1 ZINC000072321564 191120422 /nfs/dbraw/zinc/12/04/22/191120422.db2.gz ZDBVGJPQCWSGKU-KLHDSHLOSA-N 2 2 303.362 0.786 10 0 DCAELP C[C@@H]1CN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)C[C@H]1[NH+](C)C ZINC000274965955 212046622 /nfs/dbraw/zinc/04/66/22/212046622.db2.gz XGPLUGNSNHUWNJ-CHWSQXEVSA-N 2 2 318.425 0.141 10 0 DCAELP CC[NH+]1CCN(S(=O)(=O)c2cc(C[NH3+])ccc2OC)CC1 ZINC000020189680 182195496 /nfs/dbraw/zinc/19/54/96/182195496.db2.gz DTMCCDXXYCGSQU-UHFFFAOYSA-N 2 2 313.423 0.480 10 0 DCAELP CC(C)n1nnnc1C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105862730 194150488 /nfs/dbraw/zinc/15/04/88/194150488.db2.gz OWEYLPQYWRVTBQ-CYBMUJFWSA-N 2 2 310.446 0.779 10 0 DCAELP CC(C)n1nnnc1C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105862730 194150490 /nfs/dbraw/zinc/15/04/90/194150490.db2.gz OWEYLPQYWRVTBQ-CYBMUJFWSA-N 2 2 310.446 0.779 10 0 DCAELP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000283828752 131026897 /nfs/dbraw/zinc/02/68/97/131026897.db2.gz FARPWTNWZKJYRT-MGPQQGTHSA-N 2 2 307.398 0.386 10 0 DCAELP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000283828752 131026899 /nfs/dbraw/zinc/02/68/99/131026899.db2.gz FARPWTNWZKJYRT-MGPQQGTHSA-N 2 2 307.398 0.386 10 0 DCAELP CCN(CC)C(=O)C[NH+]1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000163954095 132128263 /nfs/dbraw/zinc/12/82/63/132128263.db2.gz WFLKZEPTJMBXTF-UONOGXRCSA-N 2 2 310.442 0.126 10 0 DCAELP Cn1ccnc1C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000111241493 395804126 /nfs/dbraw/zinc/80/41/26/395804126.db2.gz YAQZNFKVGOFKKV-UHFFFAOYSA-N 2 2 319.453 0.796 10 0 DCAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H]2CCN(C)C2=O)nc[nH+]1 ZINC000116277751 395843333 /nfs/dbraw/zinc/84/33/33/395843333.db2.gz FRDJJHYAHVAXFR-NWDGAFQWSA-N 2 2 304.398 0.307 10 0 DCAELP CCC(CC)[C@@H](CNC(=O)[C@H]1COCC[NH2+]1)[NH+]1CCOCC1 ZINC000236666973 395896289 /nfs/dbraw/zinc/89/62/89/395896289.db2.gz QDTNGXYUAKIFAJ-HUUCEWRRSA-N 2 2 313.442 0.228 10 0 DCAELP CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000245400628 395927754 /nfs/dbraw/zinc/92/77/54/395927754.db2.gz YKNWZXWNVBQECP-KGLIPLIRSA-N 2 2 300.447 0.737 10 0 DCAELP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000245400628 395927757 /nfs/dbraw/zinc/92/77/57/395927757.db2.gz YKNWZXWNVBQECP-KGLIPLIRSA-N 2 2 300.447 0.737 10 0 DCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000247530516 395975891 /nfs/dbraw/zinc/97/58/91/395975891.db2.gz XLRFJYIGQFFMLV-QLFBSQMISA-N 2 2 310.442 0.585 10 0 DCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000247530516 395975894 /nfs/dbraw/zinc/97/58/94/395975894.db2.gz XLRFJYIGQFFMLV-QLFBSQMISA-N 2 2 310.442 0.585 10 0 DCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000275445357 395984833 /nfs/dbraw/zinc/98/48/33/395984833.db2.gz WBVBMZRIXWMYAU-KGLIPLIRSA-N 2 2 321.425 0.465 10 0 DCAELP CC[NH+]1CCN(CC(=O)N2CC[NH2+]C[C@H]2c2cccnc2)CC1 ZINC000261691687 396056752 /nfs/dbraw/zinc/05/67/52/396056752.db2.gz JAOHHJVLOVKDPV-INIZCTEOSA-N 2 2 317.437 0.192 10 0 DCAELP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000156271558 396061030 /nfs/dbraw/zinc/06/10/30/396061030.db2.gz AZVKCWWFIUSPQI-HUUCEWRRSA-N 2 2 312.458 0.689 10 0 DCAELP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000156271558 396061031 /nfs/dbraw/zinc/06/10/31/396061031.db2.gz AZVKCWWFIUSPQI-HUUCEWRRSA-N 2 2 312.458 0.689 10 0 DCAELP COC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000262257266 396116144 /nfs/dbraw/zinc/11/61/44/396116144.db2.gz JCQCUCFUYLPUPI-MJBXVCDLSA-N 2 2 313.348 0.800 10 0 DCAELP COC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000262257266 396116148 /nfs/dbraw/zinc/11/61/48/396116148.db2.gz JCQCUCFUYLPUPI-MJBXVCDLSA-N 2 2 313.348 0.800 10 0 DCAELP CC(=O)N1CCN(C(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000173527810 396135367 /nfs/dbraw/zinc/13/53/67/396135367.db2.gz WAZMLKFGNYBCJG-DZGCQCFKSA-N 2 2 310.442 0.092 10 0 DCAELP CC(=O)N1CCN(C(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000173527810 396135369 /nfs/dbraw/zinc/13/53/69/396135369.db2.gz WAZMLKFGNYBCJG-DZGCQCFKSA-N 2 2 310.442 0.092 10 0 DCAELP CC(=O)N1CCN(C(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000173527810 396135371 /nfs/dbraw/zinc/13/53/71/396135371.db2.gz WAZMLKFGNYBCJG-DZGCQCFKSA-N 2 2 310.442 0.092 10 0 DCAELP CC(=O)N1CCN(C(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000173527810 396135373 /nfs/dbraw/zinc/13/53/73/396135373.db2.gz WAZMLKFGNYBCJG-DZGCQCFKSA-N 2 2 310.442 0.092 10 0 DCAELP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000262398578 396136038 /nfs/dbraw/zinc/13/60/38/396136038.db2.gz QUOSDFGCKRGUGN-MJBXVCDLSA-N 2 2 322.453 0.186 10 0 DCAELP C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)CC1 ZINC000261941863 396081777 /nfs/dbraw/zinc/08/17/77/396081777.db2.gz DULCWVNLZWZORP-SFHVURJKSA-N 3 2 322.497 0.862 10 0 DCAELP CS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000177192451 396169384 /nfs/dbraw/zinc/16/93/84/396169384.db2.gz WEQQDQVAGXRMHW-ZDUSSCGKSA-N 2 2 321.406 0.391 10 0 DCAELP CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000177192451 396169386 /nfs/dbraw/zinc/16/93/86/396169386.db2.gz WEQQDQVAGXRMHW-ZDUSSCGKSA-N 2 2 321.406 0.391 10 0 DCAELP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263284645 396211193 /nfs/dbraw/zinc/21/11/93/396211193.db2.gz UUERLBAUANPKJL-CHWSQXEVSA-N 2 2 319.396 0.943 10 0 DCAELP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1c1nc(C(N)=O)no1 ZINC000328655419 396831399 /nfs/dbraw/zinc/83/13/99/396831399.db2.gz YJXQTCWMUKGUGS-NSHDSACASA-N 2 2 304.354 0.901 10 0 DCAELP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1c1nc(C(N)=O)no1 ZINC000328655419 396831401 /nfs/dbraw/zinc/83/14/01/396831401.db2.gz YJXQTCWMUKGUGS-NSHDSACASA-N 2 2 304.354 0.901 10 0 DCAELP C[C@H]1CN(C(=O)[C@@H]2COCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000396398844 397310711 /nfs/dbraw/zinc/31/07/11/397310711.db2.gz WWAXTXRKCAUYCW-HOCLYGCPSA-N 2 2 303.406 0.708 10 0 DCAELP C[C@H]1CN(C(=O)[C@@H]2COCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000396398844 397310715 /nfs/dbraw/zinc/31/07/15/397310715.db2.gz WWAXTXRKCAUYCW-HOCLYGCPSA-N 2 2 303.406 0.708 10 0 DCAELP CCn1cnnc1[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093170035 158119082 /nfs/dbraw/zinc/11/90/82/158119082.db2.gz DJFCYYHMDAVTPY-CQSZACIVSA-N 2 2 320.441 0.251 10 0 DCAELP CCn1cnnc1[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093170035 158119085 /nfs/dbraw/zinc/11/90/85/158119085.db2.gz DJFCYYHMDAVTPY-CQSZACIVSA-N 2 2 320.441 0.251 10 0 DCAELP O=C1CCCN1C[C@@H](O)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131924758 158306901 /nfs/dbraw/zinc/30/69/01/158306901.db2.gz JVYNRMHHNGDRLA-ZFWWWQNUSA-N 2 2 305.378 0.518 10 0 DCAELP O=C1CCCN1C[C@@H](O)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131924758 158306904 /nfs/dbraw/zinc/30/69/04/158306904.db2.gz JVYNRMHHNGDRLA-ZFWWWQNUSA-N 2 2 305.378 0.518 10 0 DCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3CCC[C@H]3[NH3+])CC2)CC1 ZINC000166561600 158366900 /nfs/dbraw/zinc/36/69/00/158366900.db2.gz XUBCOPFIXWWESR-JKSUJKDBSA-N 3 2 308.470 0.789 10 0 DCAELP O[C@@H](CN1CCC[N@@H+](C2CCCC2)CC1)C[NH+]1CCOCC1 ZINC000172435150 158394300 /nfs/dbraw/zinc/39/43/00/158394300.db2.gz NKBCPXSJTUGGQV-KRWDZBQOSA-N 2 2 311.470 0.630 10 0 DCAELP O[C@@H](CN1CCC[N@H+](C2CCCC2)CC1)C[NH+]1CCOCC1 ZINC000172435150 158394302 /nfs/dbraw/zinc/39/43/02/158394302.db2.gz NKBCPXSJTUGGQV-KRWDZBQOSA-N 2 2 311.470 0.630 10 0 DCAELP O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000262379690 158805931 /nfs/dbraw/zinc/80/59/31/158805931.db2.gz WWXPWUDKFIEXFL-CABCVRRESA-N 2 2 300.362 0.242 10 0 DCAELP C[C@@H]1CN(C(=O)[C@H]2CCNC(=O)C2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000329083961 159060387 /nfs/dbraw/zinc/06/03/87/159060387.db2.gz FMDNWSJENLCWCY-KGLIPLIRSA-N 2 2 322.453 0.980 10 0 DCAELP C[C@@H]1CN(C(=O)[C@H]2CCNC(=O)C2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000329083961 159060391 /nfs/dbraw/zinc/06/03/91/159060391.db2.gz FMDNWSJENLCWCY-KGLIPLIRSA-N 2 2 322.453 0.980 10 0 DCAELP C1=CC[NH+]([C@H]2CCN(c3cc[nH+]c(N4CCOCC4)n3)C2)C1 ZINC000368311314 159386523 /nfs/dbraw/zinc/38/65/23/159386523.db2.gz YNBFIKKCQJJIQI-AWEZNQCLSA-N 2 2 301.394 0.764 10 0 DCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000245659630 287071701 /nfs/dbraw/zinc/07/17/01/287071701.db2.gz CZCVYSSZOSQJQN-KFWWJZLASA-N 2 2 312.458 0.831 10 0 DCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000245659630 287071702 /nfs/dbraw/zinc/07/17/02/287071702.db2.gz CZCVYSSZOSQJQN-KFWWJZLASA-N 2 2 312.458 0.831 10 0 DCAELP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3CCCC[NH2+]C3)cn2)CC1 ZINC000333200955 415582327 /nfs/dbraw/zinc/58/23/27/415582327.db2.gz XSTUJDUEIVTAJX-HNNXBMFYSA-N 3 2 304.442 0.460 10 0 DCAELP C[NH+]1CCC(CNC(=O)[C@@H]2CCC(=O)N2)([NH+]2CCCCC2)CC1 ZINC000172849639 416049168 /nfs/dbraw/zinc/04/91/68/416049168.db2.gz QFNPYOZWTRHYIF-AWEZNQCLSA-N 2 2 322.453 0.332 10 0 DCAELP C[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)[NH+]1CCOCC1 ZINC000173825823 416065812 /nfs/dbraw/zinc/06/58/12/416065812.db2.gz CTOKVHOOJCJUAS-LSDHHAIUSA-N 2 2 308.426 0.363 10 0 DCAELP C[C@@H](NC(=O)N1CCC[N@@H+](C2CC2)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000171715927 416040898 /nfs/dbraw/zinc/04/08/98/416040898.db2.gz UIEGYGIUWNVCEE-HUUCEWRRSA-N 2 2 324.469 0.975 10 0 DCAELP C[C@@H](NC(=O)N1CCC[N@H+](C2CC2)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000171715927 416040902 /nfs/dbraw/zinc/04/09/02/416040902.db2.gz UIEGYGIUWNVCEE-HUUCEWRRSA-N 2 2 324.469 0.975 10 0 DCAELP C[C@H](CNC(=O)c1c[nH+]ccc1N(C)C)C[NH+]1CCN(C)CC1 ZINC000183570681 416247564 /nfs/dbraw/zinc/24/75/64/416247564.db2.gz FZPGNLQJSJJTLR-CQSZACIVSA-N 2 2 319.453 0.761 10 0 DCAELP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1COCC[NH2+]1 ZINC000238056603 416329820 /nfs/dbraw/zinc/32/98/20/416329820.db2.gz WBHIGPNXKCWNIR-MRXNPFEDSA-N 2 2 319.405 0.123 10 0 DCAELP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](C[C@H](O)CC(F)(F)F)CC1 ZINC000364951093 416597328 /nfs/dbraw/zinc/59/73/28/416597328.db2.gz PYCYZJAKDKWFKK-VXGBXAGGSA-N 2 2 323.359 0.714 10 0 DCAELP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](C[C@H](O)CC(F)(F)F)CC1 ZINC000364951093 416597333 /nfs/dbraw/zinc/59/73/33/416597333.db2.gz PYCYZJAKDKWFKK-VXGBXAGGSA-N 2 2 323.359 0.714 10 0 DCAELP C[C@@H]1CCC[N@H+](CCNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000173784734 287350528 /nfs/dbraw/zinc/35/05/28/287350528.db2.gz BIELXPUDAVKABF-CVEARBPZSA-N 2 2 324.469 0.834 10 0 DCAELP C[C@@H]1CCC[N@@H+](CCNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000173784734 287350529 /nfs/dbraw/zinc/35/05/29/287350529.db2.gz BIELXPUDAVKABF-CVEARBPZSA-N 2 2 324.469 0.834 10 0 DCAELP c1cc(N2CC([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)C2)ncn1 ZINC000631748861 417933734 /nfs/dbraw/zinc/93/37/34/417933734.db2.gz KYZFYCAQSCYSBF-MRXNPFEDSA-N 2 2 317.437 0.898 10 0 DCAELP O=C(NCCCn1cc[nH+]c1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000192804286 261139646 /nfs/dbraw/zinc/13/96/46/261139646.db2.gz SQHZPOSXMDLGPL-AWEZNQCLSA-N 2 2 309.414 0.419 10 0 DCAELP C[C@H]1CN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC[N@@H+]1CCO ZINC000250121728 261166762 /nfs/dbraw/zinc/16/67/62/261166762.db2.gz VKLXFUFNANBSSW-RDJZCZTQSA-N 2 2 319.449 0.684 10 0 DCAELP C[C@H]1CN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC[N@H+]1CCO ZINC000250121728 261166764 /nfs/dbraw/zinc/16/67/64/261166764.db2.gz VKLXFUFNANBSSW-RDJZCZTQSA-N 2 2 319.449 0.684 10 0 DCAELP O=C(NCCCCn1cc[nH+]c1)NCCNc1cc[nH+]cc1 ZINC000533811491 287801410 /nfs/dbraw/zinc/80/14/10/287801410.db2.gz FDUMMQSXPSGTJM-UHFFFAOYSA-N 2 2 302.382 0.892 10 0 DCAELP CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000333139918 281284608 /nfs/dbraw/zinc/28/46/08/281284608.db2.gz CXCAYEZNHLXMJV-UHFFFAOYSA-N 2 2 324.469 0.882 10 0 DCAELP CC1(C)COCC[N@H+]1CCNC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000333139918 281284613 /nfs/dbraw/zinc/28/46/13/281284613.db2.gz CXCAYEZNHLXMJV-UHFFFAOYSA-N 2 2 324.469 0.882 10 0 DCAELP CC[NH+](CC)CC(=O)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000176632264 517636826 /nfs/dbraw/zinc/63/68/26/517636826.db2.gz XSYROKKUTWGXKF-CQSZACIVSA-N 2 2 310.442 0.141 10 0 DCAELP C[NH+]1CCC(CNC(=O)[C@@H]2CNC(=O)C2)([NH+]2CCCCC2)CC1 ZINC000172752959 523762684 /nfs/dbraw/zinc/76/26/84/523762684.db2.gz LOPGIDBBYQLZMT-AWEZNQCLSA-N 2 2 322.453 0.189 10 0 DCAELP C[C@@H](CNC(=O)Nc1ccn(CC[NH+](C)C)n1)[NH+]1CCOCC1 ZINC000156242243 524692543 /nfs/dbraw/zinc/69/25/43/524692543.db2.gz FBUBPJPZNADRTP-ZDUSSCGKSA-N 2 2 324.429 0.287 10 0 DCAELP CSCC[C@@H]([NH3+])C(=O)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000157359880 525543191 /nfs/dbraw/zinc/54/31/91/525543191.db2.gz SXBYQEHGLMZGED-GHMZBOCLSA-N 2 2 316.496 0.702 10 0 DCAELP CCOc1c(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c(C)nn1CC(C)C ZINC000262087880 545978566 /nfs/dbraw/zinc/97/85/66/545978566.db2.gz GJPTWFNIWQHKGV-HIFRSBDPSA-N 2 2 310.442 0.916 10 0 DCAELP COC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)C1CCOCC1 ZINC000188044596 292837736 /nfs/dbraw/zinc/83/77/36/292837736.db2.gz JJQDHHATXOFEFU-GOEBONIOSA-N 2 2 300.443 0.986 10 0 DCAELP Cn1cc[nH+]c1[C@@H]1CN(C(=O)NC[C@H]2CCC[N@@H+]2C)CCN1C ZINC000275350249 212285893 /nfs/dbraw/zinc/28/58/93/212285893.db2.gz IBGYEUDISZHSIL-KGLIPLIRSA-N 2 2 320.441 0.512 10 0 DCAELP Cn1cc[nH+]c1[C@@H]1CN(C(=O)NC[C@H]2CCC[N@H+]2C)CCN1C ZINC000275350249 212285896 /nfs/dbraw/zinc/28/58/96/212285896.db2.gz IBGYEUDISZHSIL-KGLIPLIRSA-N 2 2 320.441 0.512 10 0 DCAELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000245420692 285236487 /nfs/dbraw/zinc/23/64/87/285236487.db2.gz NCWWBTUMDPIYFV-HUUCEWRRSA-N 2 2 312.458 0.833 10 0 DCAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000245420692 285236489 /nfs/dbraw/zinc/23/64/89/285236489.db2.gz NCWWBTUMDPIYFV-HUUCEWRRSA-N 2 2 312.458 0.833 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000249041247 285299052 /nfs/dbraw/zinc/29/90/52/285299052.db2.gz VCXFGBOURLARPF-ZBFHGGJFSA-N 2 2 311.426 0.030 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000249041247 285299057 /nfs/dbraw/zinc/29/90/57/285299057.db2.gz VCXFGBOURLARPF-ZBFHGGJFSA-N 2 2 311.426 0.030 10 0 DCAELP c1cc(NCCCC[NH+]2CCOCC2)nc(N2CCOCC2)[nH+]1 ZINC000100718115 395763642 /nfs/dbraw/zinc/76/36/42/395763642.db2.gz DNPRKYXQGGVKCL-UHFFFAOYSA-N 2 2 321.425 0.838 10 0 DCAELP CCCNC(=O)CN(C)C(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245448779 395930158 /nfs/dbraw/zinc/93/01/58/395930158.db2.gz NDHBOWPNAFZNRD-UONOGXRCSA-N 2 2 312.458 0.386 10 0 DCAELP CCCNC(=O)CN(C)C(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245448779 395930159 /nfs/dbraw/zinc/93/01/59/395930159.db2.gz NDHBOWPNAFZNRD-UONOGXRCSA-N 2 2 312.458 0.386 10 0 DCAELP CCCNC(=O)CN(C)C(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245448779 395930160 /nfs/dbraw/zinc/93/01/60/395930160.db2.gz NDHBOWPNAFZNRD-UONOGXRCSA-N 2 2 312.458 0.386 10 0 DCAELP CCCNC(=O)CN(C)C(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245448779 395930162 /nfs/dbraw/zinc/93/01/62/395930162.db2.gz NDHBOWPNAFZNRD-UONOGXRCSA-N 2 2 312.458 0.386 10 0 DCAELP CO[C@@H]1CC[C@H]2OCC[N@H+](CC(=O)N3CC[NH+](C)CC3)[C@@H]2C1 ZINC000245549207 395932246 /nfs/dbraw/zinc/93/22/46/395932246.db2.gz ZCIJUNJYDOZMKA-RBSFLKMASA-N 2 2 311.426 0.029 10 0 DCAELP CO[C@@H]1CC[C@H]2OCC[N@@H+](CC(=O)N3CC[NH+](C)CC3)[C@@H]2C1 ZINC000245549207 395932249 /nfs/dbraw/zinc/93/22/49/395932249.db2.gz ZCIJUNJYDOZMKA-RBSFLKMASA-N 2 2 311.426 0.029 10 0 DCAELP COc1cc[nH+]cc1NC(=O)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246431380 395949983 /nfs/dbraw/zinc/94/99/83/395949983.db2.gz NDIZUHSZMBDONJ-DGCLKSJQSA-N 2 2 320.393 0.874 10 0 DCAELP COc1cc[nH+]cc1NC(=O)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246431380 395949984 /nfs/dbraw/zinc/94/99/84/395949984.db2.gz NDIZUHSZMBDONJ-DGCLKSJQSA-N 2 2 320.393 0.874 10 0 DCAELP COC(=O)[C@H](CC(C)C)NC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000247149999 395967657 /nfs/dbraw/zinc/96/76/57/395967657.db2.gz KAMACRXKINGWQF-KBPBESRZSA-N 2 2 313.442 0.574 10 0 DCAELP COC(=O)[C@H](CC(C)C)NC(=O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000247149999 395967660 /nfs/dbraw/zinc/96/76/60/395967660.db2.gz KAMACRXKINGWQF-KBPBESRZSA-N 2 2 313.442 0.574 10 0 DCAELP CC1(C)COCC[N@@H+]1CCNC(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000247224772 395969434 /nfs/dbraw/zinc/96/94/34/395969434.db2.gz CGDAKRMLCJPRHW-AWEZNQCLSA-N 2 2 310.442 0.587 10 0 DCAELP CC1(C)COCC[NH+]1CCNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247224772 395969439 /nfs/dbraw/zinc/96/94/39/395969439.db2.gz CGDAKRMLCJPRHW-AWEZNQCLSA-N 2 2 310.442 0.587 10 0 DCAELP CC1(C)COCC[NH+]1CCNC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247224772 395969441 /nfs/dbraw/zinc/96/94/41/395969441.db2.gz CGDAKRMLCJPRHW-AWEZNQCLSA-N 2 2 310.442 0.587 10 0 DCAELP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000247309336 395971553 /nfs/dbraw/zinc/97/15/53/395971553.db2.gz NXQDKLBXTFTMLT-OWCLPIDISA-N 2 2 323.485 0.500 10 0 DCAELP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000247309336 395971557 /nfs/dbraw/zinc/97/15/57/395971557.db2.gz NXQDKLBXTFTMLT-OWCLPIDISA-N 2 2 323.485 0.500 10 0 DCAELP [NH3+][C@H](C(=O)NC1CCN(c2cccc[nH+]2)CC1)C1CCOCC1 ZINC000261868492 396074360 /nfs/dbraw/zinc/07/43/60/396074360.db2.gz SUJXDMKWIGIDTK-INIZCTEOSA-N 2 2 318.421 0.921 10 0 DCAELP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CC[NH+](C2CC2)CC1 ZINC000262547756 396153733 /nfs/dbraw/zinc/15/37/33/396153733.db2.gz RYIPFLAOTKKGSS-JJRVBVJISA-N 2 2 307.438 0.826 10 0 DCAELP Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000263297845 396211816 /nfs/dbraw/zinc/21/18/16/396211816.db2.gz WQGKCOKTVZRMRG-GXSJLCMTSA-N 2 2 322.331 0.340 10 0 DCAELP COc1cccc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)c1OC(F)F ZINC000263171390 396204402 /nfs/dbraw/zinc/20/44/02/396204402.db2.gz FUKKKDUCXKYZSB-QWRGUYRKSA-N 2 2 302.321 0.967 10 0 DCAELP COc1cccc(OCC[NH+]2CCN(C(=O)C3C[NH2+]C3)CC2)c1 ZINC000263321863 396213287 /nfs/dbraw/zinc/21/32/87/396213287.db2.gz ROEOETPTPFKXGH-UHFFFAOYSA-N 2 2 319.405 0.438 10 0 DCAELP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@]2(C)C(N)=O)CC1 ZINC000185924355 396336890 /nfs/dbraw/zinc/33/68/90/396336890.db2.gz DJFLQICCYXCQLX-QGZVFWFLSA-N 2 2 324.469 0.705 10 0 DCAELP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@]2(C)C(N)=O)CC1 ZINC000185924355 396336893 /nfs/dbraw/zinc/33/68/93/396336893.db2.gz DJFLQICCYXCQLX-QGZVFWFLSA-N 2 2 324.469 0.705 10 0 DCAELP C[NH+](C)CC(C)(C)CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000561009481 396628407 /nfs/dbraw/zinc/62/84/07/396628407.db2.gz GYSRTSIWJKDHLM-UHFFFAOYSA-N 2 2 317.393 0.977 10 0 DCAELP Cn1ncc(Br)c1C[NH2+]CC1([NH3+])CCOCC1 ZINC000629653330 396815418 /nfs/dbraw/zinc/81/54/18/396815418.db2.gz FUXFWYSHGWFAOO-UHFFFAOYSA-N 2 2 303.204 0.780 10 0 DCAELP C[C@H]1CN(C(=O)[C@H]2COCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000396398842 397311118 /nfs/dbraw/zinc/31/11/18/397311118.db2.gz WWAXTXRKCAUYCW-GOEBONIOSA-N 2 2 303.406 0.708 10 0 DCAELP C[C@H]1CN(C(=O)[C@H]2COCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000396398842 397311123 /nfs/dbraw/zinc/31/11/23/397311123.db2.gz WWAXTXRKCAUYCW-GOEBONIOSA-N 2 2 303.406 0.708 10 0 DCAELP CNS(=O)(=O)CCC[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000407950378 397333369 /nfs/dbraw/zinc/33/33/69/397333369.db2.gz DDXNPUBIZXQZNL-CYBMUJFWSA-N 2 2 319.471 0.111 10 0 DCAELP CNS(=O)(=O)CCC[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000407950378 397333375 /nfs/dbraw/zinc/33/33/75/397333375.db2.gz DDXNPUBIZXQZNL-CYBMUJFWSA-N 2 2 319.471 0.111 10 0 DCAELP C[NH+](C)C[C@H](NC(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000047618241 158004466 /nfs/dbraw/zinc/00/44/66/158004466.db2.gz OCUANEIXXBAITJ-INIZCTEOSA-N 2 2 320.437 0.921 10 0 DCAELP COC(=O)CC[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000105915261 158132107 /nfs/dbraw/zinc/13/21/07/158132107.db2.gz VSCJSMBOSOZMHB-HNNXBMFYSA-N 2 2 313.442 0.276 10 0 DCAELP COC(=O)CC[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000105915261 158132109 /nfs/dbraw/zinc/13/21/09/158132109.db2.gz VSCJSMBOSOZMHB-HNNXBMFYSA-N 2 2 313.442 0.276 10 0 DCAELP COC(=O)[C@H](CC(C)C)NC(=O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113513820 158147911 /nfs/dbraw/zinc/14/79/11/158147911.db2.gz KAMACRXKINGWQF-KGLIPLIRSA-N 2 2 313.442 0.574 10 0 DCAELP COC(=O)[C@H](CC(C)C)NC(=O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113513820 158147912 /nfs/dbraw/zinc/14/79/12/158147912.db2.gz KAMACRXKINGWQF-KGLIPLIRSA-N 2 2 313.442 0.574 10 0 DCAELP Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000121027628 158206823 /nfs/dbraw/zinc/20/68/23/158206823.db2.gz LFQOCJPLQOITLV-HNNXBMFYSA-N 2 2 319.453 0.948 10 0 DCAELP Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000121027628 158206824 /nfs/dbraw/zinc/20/68/24/158206824.db2.gz LFQOCJPLQOITLV-HNNXBMFYSA-N 2 2 319.453 0.948 10 0 DCAELP CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123627571 158231506 /nfs/dbraw/zinc/23/15/06/158231506.db2.gz CKWWKFWJMMHFDA-GFCCVEGCSA-N 2 2 307.398 0.520 10 0 DCAELP CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123627571 158231507 /nfs/dbraw/zinc/23/15/07/158231507.db2.gz CKWWKFWJMMHFDA-GFCCVEGCSA-N 2 2 307.398 0.520 10 0 DCAELP COCC[NH2+]CC(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000167972486 158370942 /nfs/dbraw/zinc/37/09/42/158370942.db2.gz VDRHZXZSYXJMJC-INIZCTEOSA-N 2 2 321.421 0.100 10 0 DCAELP C[C@@H]1CN(C(=O)[C@H]2CC23CC[NH2+]CC3)C[C@@H]1[NH+]1CCOCC1 ZINC000261891140 158750267 /nfs/dbraw/zinc/75/02/67/158750267.db2.gz CBIOUDZMJJQWBG-KFWWJZLASA-N 2 2 307.438 0.555 10 0 DCAELP C[C@@H]1C[N@H+](C)[C@H](C)CN1c1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000408389744 160098439 /nfs/dbraw/zinc/09/84/39/160098439.db2.gz NSEOTCNJDFLGSP-MGPQQGTHSA-N 2 2 305.426 0.967 10 0 DCAELP C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000408389744 160098441 /nfs/dbraw/zinc/09/84/41/160098441.db2.gz NSEOTCNJDFLGSP-MGPQQGTHSA-N 2 2 305.426 0.967 10 0 DCAELP C[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)[NH+]1CCOCC1 ZINC000085390505 415505216 /nfs/dbraw/zinc/50/52/16/415505216.db2.gz QMDYEBGMOFNZCC-KFWWJZLASA-N 2 2 312.458 0.689 10 0 DCAELP C[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)[NH+]1CCOCC1 ZINC000085390505 415505222 /nfs/dbraw/zinc/50/52/22/415505222.db2.gz QMDYEBGMOFNZCC-KFWWJZLASA-N 2 2 312.458 0.689 10 0 DCAELP [NH3+][C@@H]1CCC[C@H]2CN(c3cc(N4CCOCC4)nc[nH+]3)C[C@H]21 ZINC000333621017 415699351 /nfs/dbraw/zinc/69/93/51/415699351.db2.gz ZLKVDRZARIMXHK-BFHYXJOUSA-N 2 2 303.410 0.877 10 0 DCAELP [NH3+][C@@H]1CCC[C@H]2CN(c3cc(N4CCOCC4)[nH+]cn3)C[C@H]21 ZINC000333621017 415699357 /nfs/dbraw/zinc/69/93/57/415699357.db2.gz ZLKVDRZARIMXHK-BFHYXJOUSA-N 2 2 303.410 0.877 10 0 DCAELP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000119785620 415750461 /nfs/dbraw/zinc/75/04/61/415750461.db2.gz ADCPNLUPGCLGGC-HUUCEWRRSA-N 2 2 312.458 0.594 10 0 DCAELP CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000119785620 415750467 /nfs/dbraw/zinc/75/04/67/415750467.db2.gz ADCPNLUPGCLGGC-HUUCEWRRSA-N 2 2 312.458 0.594 10 0 DCAELP CC(C)C[NH+]1CC[C@H](CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000119785620 415750475 /nfs/dbraw/zinc/75/04/75/415750475.db2.gz ADCPNLUPGCLGGC-HUUCEWRRSA-N 2 2 312.458 0.594 10 0 DCAELP CC(C)C[NH+]1CC[C@H](CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000119785620 415750481 /nfs/dbraw/zinc/75/04/81/415750481.db2.gz ADCPNLUPGCLGGC-HUUCEWRRSA-N 2 2 312.458 0.594 10 0 DCAELP C[N@@H+]1CCO[C@H](C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000174640450 416084419 /nfs/dbraw/zinc/08/44/19/416084419.db2.gz XQGWKFLYOBFHBB-AWEZNQCLSA-N 2 2 304.394 0.497 10 0 DCAELP C[N@H+]1CCO[C@H](C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000174640450 416084421 /nfs/dbraw/zinc/08/44/21/416084421.db2.gz XQGWKFLYOBFHBB-AWEZNQCLSA-N 2 2 304.394 0.497 10 0 DCAELP CC[NH+]1CCC(CCNC(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000174748009 416084970 /nfs/dbraw/zinc/08/49/70/416084970.db2.gz FQUNSBUWIVFEOE-OAHLLOKOSA-N 2 2 312.458 0.738 10 0 DCAELP CC[NH+]1CCC(CCNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000174748009 416084975 /nfs/dbraw/zinc/08/49/75/416084975.db2.gz FQUNSBUWIVFEOE-OAHLLOKOSA-N 2 2 312.458 0.738 10 0 DCAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H](C)[NH+]2CCOCC2)C1 ZINC000247440484 416332716 /nfs/dbraw/zinc/33/27/16/416332716.db2.gz RYOPFROOIRTSQV-RBSFLKMASA-N 2 2 312.458 0.735 10 0 DCAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H](C)[NH+]2CCOCC2)C1 ZINC000247440484 416332717 /nfs/dbraw/zinc/33/27/17/416332717.db2.gz RYOPFROOIRTSQV-RBSFLKMASA-N 2 2 312.458 0.735 10 0 DCAELP C[C@H](O)C1CC[NH+](CC(O)C[NH+]2CCC([C@H](C)O)CC2)CC1 ZINC000194510219 416323534 /nfs/dbraw/zinc/32/35/34/416323534.db2.gz KKJPLUJOWDJWDY-KBPBESRZSA-N 2 2 314.470 0.533 10 0 DCAELP CO[C@H](C)[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000375558528 417005768 /nfs/dbraw/zinc/00/57/68/417005768.db2.gz RSINSDBDGXRGNO-MJBXVCDLSA-N 2 2 312.458 0.878 10 0 DCAELP CO[C@H](C)[C@H](C)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000375558528 417005778 /nfs/dbraw/zinc/00/57/78/417005778.db2.gz RSINSDBDGXRGNO-MJBXVCDLSA-N 2 2 312.458 0.878 10 0 DCAELP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCn2cc[nH+]c2C1 ZINC000638095982 417324819 /nfs/dbraw/zinc/32/48/19/417324819.db2.gz DXFITORCSLQQRA-HNNXBMFYSA-N 2 2 313.405 0.685 10 0 DCAELP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCn2cc[nH+]c2C1 ZINC000638095982 417324826 /nfs/dbraw/zinc/32/48/26/417324826.db2.gz DXFITORCSLQQRA-HNNXBMFYSA-N 2 2 313.405 0.685 10 0 DCAELP CN(CCC[NH+](C)C)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000537215034 287864470 /nfs/dbraw/zinc/86/44/70/287864470.db2.gz LDPBTAUUQOEFBK-UHFFFAOYSA-N 2 2 319.453 0.614 10 0 DCAELP CC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173912146 276378763 /nfs/dbraw/zinc/37/87/63/276378763.db2.gz ZSBZUYCXIIBFFI-GJZGRUSLSA-N 2 2 310.442 0.587 10 0 DCAELP CC[N@H+]1CCC[C@H]1CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173912146 276378764 /nfs/dbraw/zinc/37/87/64/276378764.db2.gz ZSBZUYCXIIBFFI-GJZGRUSLSA-N 2 2 310.442 0.587 10 0 DCAELP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000261803283 278142400 /nfs/dbraw/zinc/14/24/00/278142400.db2.gz OGWPVAUJERDXOB-ZIAGYGMSSA-N 2 2 310.442 0.173 10 0 DCAELP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000261803283 278142402 /nfs/dbraw/zinc/14/24/02/278142402.db2.gz OGWPVAUJERDXOB-ZIAGYGMSSA-N 2 2 310.442 0.173 10 0 DCAELP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)C1 ZINC000261803279 278142510 /nfs/dbraw/zinc/14/25/10/278142510.db2.gz OGWPVAUJERDXOB-KGLIPLIRSA-N 2 2 310.442 0.173 10 0 DCAELP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)C1 ZINC000261803279 278142513 /nfs/dbraw/zinc/14/25/13/278142513.db2.gz OGWPVAUJERDXOB-KGLIPLIRSA-N 2 2 310.442 0.173 10 0 DCAELP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000261851877 279220174 /nfs/dbraw/zinc/22/01/74/279220174.db2.gz VWDAOBNRQLHKGM-UMVBOHGHSA-N 2 2 322.453 0.173 10 0 DCAELP C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)[C@H]2C1 ZINC000551987768 288255620 /nfs/dbraw/zinc/25/56/20/288255620.db2.gz CTCDEYFLEFBEDL-XBFCOCLRSA-N 2 2 304.394 0.761 10 0 DCAELP [NH3+]C[C@@H](C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC000238017534 295241600 /nfs/dbraw/zinc/24/16/00/295241600.db2.gz CHYKIWXXGJFIQB-JKSUJKDBSA-N 2 2 303.406 0.662 10 0 DCAELP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[NH2+]Cc1cncn1C ZINC000275848665 302988790 /nfs/dbraw/zinc/98/87/90/302988790.db2.gz WRTMQUZJYZCKKJ-STQMWFEESA-N 2 2 306.389 0.856 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](n3cncn3)C2)CC1 ZINC000247073292 521668213 /nfs/dbraw/zinc/66/82/13/521668213.db2.gz GQQKRZHASZOBRD-LSDHHAIUSA-N 2 2 320.441 0.468 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](n3cncn3)C2)CC1 ZINC000247073292 521668217 /nfs/dbraw/zinc/66/82/17/521668217.db2.gz GQQKRZHASZOBRD-LSDHHAIUSA-N 2 2 320.441 0.468 10 0 DCAELP C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C[C@@H]1CCCO1 ZINC000128071432 523495605 /nfs/dbraw/zinc/49/56/05/523495605.db2.gz XXPYXPBTMBKOHZ-HNNXBMFYSA-N 2 2 305.426 0.839 10 0 DCAELP C[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C[C@@H]1CCCO1 ZINC000128071432 523495617 /nfs/dbraw/zinc/49/56/17/523495617.db2.gz XXPYXPBTMBKOHZ-HNNXBMFYSA-N 2 2 305.426 0.839 10 0 DCAELP CC(C)N(CC[NH+](C)C)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000157557836 528895015 /nfs/dbraw/zinc/89/50/15/528895015.db2.gz ICNVACTVVWHZOU-AWEZNQCLSA-N 2 2 300.447 0.689 10 0 DCAELP CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)CC1 ZINC000322127723 546034571 /nfs/dbraw/zinc/03/45/71/546034571.db2.gz SSHKGIGDSVIKRY-HZPDHXFCSA-N 2 2 322.453 0.141 10 0 DCAELP CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)CC1 ZINC000322127723 546034574 /nfs/dbraw/zinc/03/45/74/546034574.db2.gz SSHKGIGDSVIKRY-HZPDHXFCSA-N 2 2 322.453 0.141 10 0 DCAELP C[C@H]1[NH2+]CCC[C@@H]1Nc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000333137778 546072941 /nfs/dbraw/zinc/07/29/41/546072941.db2.gz BVIPXXOPZPMZCO-NEPJUHHUSA-N 2 2 304.398 0.307 10 0 DCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CN1C(=O)C(=O)N(C)C1=O ZINC000176078972 657802105 /nfs/dbraw/zinc/80/21/05/657802105.db2.gz DWIHULUMLXZUTC-LLVKDONJSA-N 2 2 305.338 0.034 10 0 DCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CN1C(=O)C(=O)N(C)C1=O ZINC000176078972 657802111 /nfs/dbraw/zinc/80/21/11/657802111.db2.gz DWIHULUMLXZUTC-LLVKDONJSA-N 2 2 305.338 0.034 10 0 DCAELP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1COCC[NH2+]1 ZINC000261543401 665399244 /nfs/dbraw/zinc/39/92/44/665399244.db2.gz HRMYWUPUZOBLAR-HZPDHXFCSA-N 2 2 303.406 0.756 10 0 DCAELP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1COCC[NH2+]1 ZINC000261543401 665399246 /nfs/dbraw/zinc/39/92/46/665399246.db2.gz HRMYWUPUZOBLAR-HZPDHXFCSA-N 2 2 303.406 0.756 10 0 DCAELP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H](O)CC(F)(F)F)CC1 ZINC000364951092 283320910 /nfs/dbraw/zinc/32/09/10/283320910.db2.gz PYCYZJAKDKWFKK-RYUDHWBXSA-N 2 2 323.359 0.714 10 0 DCAELP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](C[C@@H](O)CC(F)(F)F)CC1 ZINC000364951092 283320912 /nfs/dbraw/zinc/32/09/12/283320912.db2.gz PYCYZJAKDKWFKK-RYUDHWBXSA-N 2 2 323.359 0.714 10 0 DCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCCOC(=O)NC(N)=O ZINC000180532696 199171336 /nfs/dbraw/zinc/17/13/36/199171336.db2.gz CNWKYQNITPUYCD-LBPRGKRZSA-N 2 2 309.370 0.851 10 0 DCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCCOC(=O)NC(N)=O ZINC000180532696 199171338 /nfs/dbraw/zinc/17/13/38/199171338.db2.gz CNWKYQNITPUYCD-LBPRGKRZSA-N 2 2 309.370 0.851 10 0 DCAELP C[C@@H](NC(=O)C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1)C(=O)N1CCCCC1 ZINC000261737405 296049052 /nfs/dbraw/zinc/04/90/52/296049052.db2.gz OUOXTLQOZSMVRW-KGLIPLIRSA-N 2 2 324.469 0.563 10 0 DCAELP C[C@@H](NC(=O)C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1)C(=O)N1CCCCC1 ZINC000261737405 296049053 /nfs/dbraw/zinc/04/90/53/296049053.db2.gz OUOXTLQOZSMVRW-KGLIPLIRSA-N 2 2 324.469 0.563 10 0 DCAELP C[C@@H](NC(=O)N1CCC2(CC[NH2+]C2)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000333132160 296059379 /nfs/dbraw/zinc/05/93/79/296059379.db2.gz BWASTTOAUHHSJW-HUUCEWRRSA-N 2 2 324.469 0.881 10 0 DCAELP Cc1cc(CNC(=O)C2CC[NH+](CC(N)=O)CC2)cc(C)[nH+]1 ZINC000091678327 193090654 /nfs/dbraw/zinc/09/06/54/193090654.db2.gz YVZYSUNAWPBGNY-UHFFFAOYSA-N 2 2 304.394 0.512 10 0 DCAELP CCCC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000105217130 194086102 /nfs/dbraw/zinc/08/61/02/194086102.db2.gz MOQYZNXHGQHWIA-OAHLLOKOSA-N 2 2 312.458 0.881 10 0 DCAELP CCCC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000105217130 194086104 /nfs/dbraw/zinc/08/61/04/194086104.db2.gz MOQYZNXHGQHWIA-OAHLLOKOSA-N 2 2 312.458 0.881 10 0 DCAELP CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000245666349 285285783 /nfs/dbraw/zinc/28/57/83/285285783.db2.gz DUYOIAINDQYJFF-HOTGVXAUSA-N 2 2 324.469 0.977 10 0 DCAELP CC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000245666349 285285784 /nfs/dbraw/zinc/28/57/84/285285784.db2.gz DUYOIAINDQYJFF-HOTGVXAUSA-N 2 2 324.469 0.977 10 0 DCAELP CCN(CC)C(=O)C[NH+]1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000163953761 132128553 /nfs/dbraw/zinc/12/85/53/132128553.db2.gz WFLKZEPTJMBXTF-KGLIPLIRSA-N 2 2 310.442 0.126 10 0 DCAELP C[C@@H](CNC(=O)N1CC[NH+](CC2CC2)CC1)[NH+]1CCOCC1 ZINC000108466606 395789625 /nfs/dbraw/zinc/78/96/25/395789625.db2.gz SYXGBRZPPOHVSK-AWEZNQCLSA-N 2 2 310.442 0.444 10 0 DCAELP O[C@H](CN1CCOCC1)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195519387 395831502 /nfs/dbraw/zinc/83/15/02/395831502.db2.gz YEAYVYVQVDSDFG-JKSUJKDBSA-N 2 2 320.437 0.509 10 0 DCAELP O[C@H](CN1CCOCC1)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195519387 395831505 /nfs/dbraw/zinc/83/15/05/395831505.db2.gz YEAYVYVQVDSDFG-JKSUJKDBSA-N 2 2 320.437 0.509 10 0 DCAELP COc1ccc2ncc(=O)n(CC[NH+]3CCC([NH3+])CC3)c2n1 ZINC000114431220 395834547 /nfs/dbraw/zinc/83/45/47/395834547.db2.gz UJMWYOZNWJJCQU-UHFFFAOYSA-N 2 2 303.366 0.223 10 0 DCAELP COC(=O)CNC(=O)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000245497193 395930601 /nfs/dbraw/zinc/93/06/01/395930601.db2.gz SYHYMYTZEGUNOK-KGLIPLIRSA-N 2 2 311.426 0.613 10 0 DCAELP COC(=O)CNC(=O)CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000245497193 395930603 /nfs/dbraw/zinc/93/06/03/395930603.db2.gz SYHYMYTZEGUNOK-KGLIPLIRSA-N 2 2 311.426 0.613 10 0 DCAELP COC(=O)CNC(=O)CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000245497193 395930606 /nfs/dbraw/zinc/93/06/06/395930606.db2.gz SYHYMYTZEGUNOK-KGLIPLIRSA-N 2 2 311.426 0.613 10 0 DCAELP COC(=O)CNC(=O)CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000245497193 395930609 /nfs/dbraw/zinc/93/06/09/395930609.db2.gz SYHYMYTZEGUNOK-KGLIPLIRSA-N 2 2 311.426 0.613 10 0 DCAELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000246343646 395946834 /nfs/dbraw/zinc/94/68/34/395946834.db2.gz OXDNMKBHSCZWJW-ARFHVFGLSA-N 2 2 324.469 0.975 10 0 DCAELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000246343646 395946838 /nfs/dbraw/zinc/94/68/38/395946838.db2.gz OXDNMKBHSCZWJW-ARFHVFGLSA-N 2 2 324.469 0.975 10 0 DCAELP C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000246373123 395948247 /nfs/dbraw/zinc/94/82/47/395948247.db2.gz GUEPTFWJZKIACZ-GJZGRUSLSA-N 2 2 310.442 0.587 10 0 DCAELP C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000246373123 395948249 /nfs/dbraw/zinc/94/82/49/395948249.db2.gz GUEPTFWJZKIACZ-GJZGRUSLSA-N 2 2 310.442 0.587 10 0 DCAELP O=C1CCCN1C[C@@H](O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151101455 395978908 /nfs/dbraw/zinc/97/89/08/395978908.db2.gz SQOAPAKRDRLCSW-CABCVRRESA-N 2 2 318.421 0.799 10 0 DCAELP O=C1CCCN1C[C@@H](O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151101455 395978912 /nfs/dbraw/zinc/97/89/12/395978912.db2.gz SQOAPAKRDRLCSW-CABCVRRESA-N 2 2 318.421 0.799 10 0 DCAELP COC(=O)CNC(=O)C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000151116467 395979210 /nfs/dbraw/zinc/97/92/10/395979210.db2.gz RYYMOGMKDASQFH-ZDUSSCGKSA-N 2 2 320.393 0.413 10 0 DCAELP C[C@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000261852840 396072886 /nfs/dbraw/zinc/07/28/86/396072886.db2.gz DPTUROHYJHZSFW-UONOGXRCSA-N 2 2 310.442 0.045 10 0 DCAELP C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000261852840 396072889 /nfs/dbraw/zinc/07/28/89/396072889.db2.gz DPTUROHYJHZSFW-UONOGXRCSA-N 2 2 310.442 0.045 10 0 DCAELP C[NH+](C)[C@H]1CCN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)C1 ZINC000277464791 396069168 /nfs/dbraw/zinc/06/91/68/396069168.db2.gz OKVNKIMKYFFUHW-KBPBESRZSA-N 2 2 305.426 0.968 10 0 DCAELP COC[C@@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000262368786 396130932 /nfs/dbraw/zinc/13/09/32/396130932.db2.gz XINPOMSENGERSV-OAHLLOKOSA-N 2 2 307.394 0.109 10 0 DCAELP C[C@@H]1CN(C(=O)[C@H]2CC23CC[NH2+]CC3)C[C@H]1[NH+]1CCOCC1 ZINC000261891142 396076803 /nfs/dbraw/zinc/07/68/03/396076803.db2.gz CBIOUDZMJJQWBG-RBSFLKMASA-N 2 2 307.438 0.555 10 0 DCAELP C[N@H+](CCCn1cc[nH+]c1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000162297680 396080479 /nfs/dbraw/zinc/08/04/79/396080479.db2.gz VWCBYGCAOFLHLQ-AWEZNQCLSA-N 2 2 314.455 0.877 10 0 DCAELP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000162297680 396080482 /nfs/dbraw/zinc/08/04/82/396080482.db2.gz VWCBYGCAOFLHLQ-AWEZNQCLSA-N 2 2 314.455 0.877 10 0 DCAELP CC(C)Cn1cc[nH+]c1CNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000263251510 396209396 /nfs/dbraw/zinc/20/93/96/396209396.db2.gz PBPJOVDCIWTCPO-AWEZNQCLSA-N 2 2 309.414 0.255 10 0 DCAELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000176893728 396162520 /nfs/dbraw/zinc/16/25/20/396162520.db2.gz LXVVVXJSKUPATP-GFCCVEGCSA-N 2 2 320.393 0.971 10 0 DCAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000176893728 396162525 /nfs/dbraw/zinc/16/25/25/396162525.db2.gz LXVVVXJSKUPATP-GFCCVEGCSA-N 2 2 320.393 0.971 10 0 DCAELP O=C([C@H]1CC(F)(F)C[NH2+]1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000263281712 396210991 /nfs/dbraw/zinc/21/09/91/396210991.db2.gz UJHZKWVQFXMGDP-VXGBXAGGSA-N 2 2 303.353 0.164 10 0 DCAELP C[N@@H+]1CCO[C@@H](CNC(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000177951602 396186816 /nfs/dbraw/zinc/18/68/16/396186816.db2.gz QACTYHOXGJLUCH-ZDUSSCGKSA-N 2 2 303.366 0.464 10 0 DCAELP C[N@H+]1CCO[C@@H](CNC(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000177951602 396186818 /nfs/dbraw/zinc/18/68/18/396186818.db2.gz QACTYHOXGJLUCH-ZDUSSCGKSA-N 2 2 303.366 0.464 10 0 DCAELP Cc1nn(C)c(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c1Br ZINC000263306172 396212598 /nfs/dbraw/zinc/21/25/98/396212598.db2.gz XYJLOQZJLGIOSZ-WCBMZHEXSA-N 2 2 303.204 0.161 10 0 DCAELP CC[C@@H](CO)[NH+]1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000183994096 396279932 /nfs/dbraw/zinc/27/99/32/396279932.db2.gz IXGIXZUBKQGUAE-ZDUSSCGKSA-N 2 2 306.410 0.676 10 0 DCAELP C[NH+](C)CC1(CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)CCCC1 ZINC000185623441 396331866 /nfs/dbraw/zinc/33/18/66/396331866.db2.gz UFYGGHNGYNCULV-CQSZACIVSA-N 2 2 312.458 0.738 10 0 DCAELP C[NH+](C)CC1(CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CCCC1 ZINC000185623441 396331869 /nfs/dbraw/zinc/33/18/69/396331869.db2.gz UFYGGHNGYNCULV-CQSZACIVSA-N 2 2 312.458 0.738 10 0 DCAELP CCN1CCN(C(=O)C[NH+](CC)CC)C[C@H]1c1[nH+]ccn1C ZINC000328625932 396825184 /nfs/dbraw/zinc/82/51/84/396825184.db2.gz LEBHYWBDNUVYDC-AWEZNQCLSA-N 2 2 307.442 0.967 10 0 DCAELP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000333648656 396929417 /nfs/dbraw/zinc/92/94/17/396929417.db2.gz JLUCKYKSOSQYBR-GUYCJALGSA-N 2 2 322.453 0.187 10 0 DCAELP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000333648656 396929423 /nfs/dbraw/zinc/92/94/23/396929423.db2.gz JLUCKYKSOSQYBR-GUYCJALGSA-N 2 2 322.453 0.187 10 0 DCAELP C[C@@H](C(=O)N1CC[NH2+][C@H](c2ccncc2)C1)N1CC[NH+](C)CC1 ZINC000407965578 397339900 /nfs/dbraw/zinc/33/99/00/397339900.db2.gz LTIACEWOMFRTJB-HOCLYGCPSA-N 2 2 317.437 0.190 10 0 DCAELP CO[C@@H]1CC[C@H]2OCC[N@H+](CC(=O)N3CC[NH+](C)CC3)[C@H]2C1 ZINC000093208864 158119545 /nfs/dbraw/zinc/11/95/45/158119545.db2.gz ZCIJUNJYDOZMKA-QLFBSQMISA-N 2 2 311.426 0.029 10 0 DCAELP CO[C@@H]1CC[C@H]2OCC[N@@H+](CC(=O)N3CC[NH+](C)CC3)[C@H]2C1 ZINC000093208864 158119546 /nfs/dbraw/zinc/11/95/46/158119546.db2.gz ZCIJUNJYDOZMKA-QLFBSQMISA-N 2 2 311.426 0.029 10 0 DCAELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCN2CCCC2=O)CC1 ZINC000109752565 158138607 /nfs/dbraw/zinc/13/86/07/158138607.db2.gz PMIXLFDBXDVQCJ-MRXNPFEDSA-N 2 2 308.470 0.711 10 0 DCAELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCN2CCCC2=O)CC1 ZINC000109752565 158138608 /nfs/dbraw/zinc/13/86/08/158138608.db2.gz PMIXLFDBXDVQCJ-MRXNPFEDSA-N 2 2 308.470 0.711 10 0 DCAELP CC(C)[NH+]1CCC(NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CC1 ZINC000173386665 158405569 /nfs/dbraw/zinc/40/55/69/158405569.db2.gz QQRJMMRSZMKSJI-MRXNPFEDSA-N 2 2 324.469 0.975 10 0 DCAELP CO[C@@H]1COC[C@H]1n1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)nn1 ZINC000329791392 159119896 /nfs/dbraw/zinc/11/98/96/159119896.db2.gz UMQOMXOAEUZXQZ-SLBVQIDZSA-N 2 2 321.425 0.581 10 0 DCAELP CO[C@@H]1COC[C@H]1n1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)nn1 ZINC000329791392 159119898 /nfs/dbraw/zinc/11/98/98/159119898.db2.gz UMQOMXOAEUZXQZ-SLBVQIDZSA-N 2 2 321.425 0.581 10 0 DCAELP C[C@@H]1C[N@H+](C)[C@H](C)CN1c1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000408389743 160098454 /nfs/dbraw/zinc/09/84/54/160098454.db2.gz NSEOTCNJDFLGSP-MCIONIFRSA-N 2 2 305.426 0.967 10 0 DCAELP C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000408389743 160098456 /nfs/dbraw/zinc/09/84/56/160098456.db2.gz NSEOTCNJDFLGSP-MCIONIFRSA-N 2 2 305.426 0.967 10 0 DCAELP CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000247775197 287095247 /nfs/dbraw/zinc/09/52/47/287095247.db2.gz QJAUTGJDSOGNFX-HUUCEWRRSA-N 2 2 311.474 0.406 10 0 DCAELP CC[N@H+]1CCC[C@@H](NC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000247775197 287095248 /nfs/dbraw/zinc/09/52/48/287095248.db2.gz QJAUTGJDSOGNFX-HUUCEWRRSA-N 2 2 311.474 0.406 10 0 DCAELP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000333690233 415715882 /nfs/dbraw/zinc/71/58/82/415715882.db2.gz PRGBOQZBUSVPTA-BMFZPTHFSA-N 2 2 324.469 0.737 10 0 DCAELP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000333690233 415715890 /nfs/dbraw/zinc/71/58/90/415715890.db2.gz PRGBOQZBUSVPTA-BMFZPTHFSA-N 2 2 324.469 0.737 10 0 DCAELP CNc1cc(N2CCC[C@H]2CNC(=O)NCC[NH+](C)C)nc[nH+]1 ZINC000133784978 415952351 /nfs/dbraw/zinc/95/23/51/415952351.db2.gz FZEYPNWAUVTELM-LBPRGKRZSA-N 2 2 321.429 0.348 10 0 DCAELP CNc1cc(N2CCC[C@H]2CNC(=O)NCC[NH+](C)C)[nH+]cn1 ZINC000133784978 415952361 /nfs/dbraw/zinc/95/23/61/415952361.db2.gz FZEYPNWAUVTELM-LBPRGKRZSA-N 2 2 321.429 0.348 10 0 DCAELP CC(C)(CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)[NH+]1CCOCC1 ZINC000173367210 416057859 /nfs/dbraw/zinc/05/78/59/416057859.db2.gz BDNQMSDEDQBGOY-OAHLLOKOSA-N 2 2 322.453 0.753 10 0 DCAELP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H]2CCCn3cc[nH+]c32)CC1 ZINC000175152907 416097869 /nfs/dbraw/zinc/09/78/69/416097869.db2.gz PSGTUWOJBSICAA-LSDHHAIUSA-N 2 2 319.453 0.903 10 0 DCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000178335203 416161587 /nfs/dbraw/zinc/16/15/87/416161587.db2.gz IADXLYROIJVUGH-JSGCOSHPSA-N 2 2 321.425 0.249 10 0 DCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000178335203 416161592 /nfs/dbraw/zinc/16/15/92/416161592.db2.gz IADXLYROIJVUGH-JSGCOSHPSA-N 2 2 321.425 0.249 10 0 DCAELP NC(=O)NC(=O)CCC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195516032 416326624 /nfs/dbraw/zinc/32/66/24/416326624.db2.gz HLSNYILGSDBPOJ-LBPRGKRZSA-N 2 2 305.382 0.791 10 0 DCAELP NC(=O)NC(=O)CCC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195516032 416326625 /nfs/dbraw/zinc/32/66/25/416326625.db2.gz HLSNYILGSDBPOJ-LBPRGKRZSA-N 2 2 305.382 0.791 10 0 DCAELP CCOCC[C@@H](O)C[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000434637286 416485612 /nfs/dbraw/zinc/48/56/12/416485612.db2.gz MMVGHAGMOTWLNE-CQSZACIVSA-N 2 2 323.441 0.452 10 0 DCAELP CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCCCC[C@H]([NH3+])C2)CC1 ZINC000631832867 416754832 /nfs/dbraw/zinc/75/48/32/416754832.db2.gz ORMQBLLEIPNKLS-HIFRSBDPSA-N 2 2 310.442 0.269 10 0 DCAELP CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCCCC[C@H]([NH3+])C2)CC1 ZINC000631832867 416754836 /nfs/dbraw/zinc/75/48/36/416754836.db2.gz ORMQBLLEIPNKLS-HIFRSBDPSA-N 2 2 310.442 0.269 10 0 DCAELP CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)C[C@@H]1C[NH+](C)CCO1 ZINC000632417746 417073744 /nfs/dbraw/zinc/07/37/44/417073744.db2.gz MKFHGSXJALFMLD-KBPBESRZSA-N 2 2 319.471 0.063 10 0 DCAELP CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)C[C@@H]1C[NH+](C)CCO1 ZINC000632417746 417073750 /nfs/dbraw/zinc/07/37/50/417073750.db2.gz MKFHGSXJALFMLD-KBPBESRZSA-N 2 2 319.471 0.063 10 0 DCAELP CC[C@H]1C[NH+](CC)CCN1S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632417746 417073756 /nfs/dbraw/zinc/07/37/56/417073756.db2.gz MKFHGSXJALFMLD-KBPBESRZSA-N 2 2 319.471 0.063 10 0 DCAELP CC[C@H]1C[NH+](CC)CCN1S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632417746 417073762 /nfs/dbraw/zinc/07/37/62/417073762.db2.gz MKFHGSXJALFMLD-KBPBESRZSA-N 2 2 319.471 0.063 10 0 DCAELP O[C@H](C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)Cn1ccnn1 ZINC000459691285 272003730 /nfs/dbraw/zinc/00/37/30/272003730.db2.gz GGNJJONEYHCJQI-IAGOWNOFSA-N 2 2 315.421 0.893 10 0 DCAELP O[C@H](C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)Cn1ccnn1 ZINC000459691285 272003732 /nfs/dbraw/zinc/00/37/32/272003732.db2.gz GGNJJONEYHCJQI-IAGOWNOFSA-N 2 2 315.421 0.893 10 0 DCAELP C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCC3([NH3+])CCCCC3)C[C@@H]21 ZINC000333884818 277120005 /nfs/dbraw/zinc/12/00/05/277120005.db2.gz WXTZODXMGLGTGS-UONOGXRCSA-N 2 2 310.442 0.763 10 0 DCAELP C[N@H+]1CCO[C@@H]2CCN(C(=O)NCC3([NH3+])CCCCC3)C[C@@H]21 ZINC000333884818 277120007 /nfs/dbraw/zinc/12/00/07/277120007.db2.gz WXTZODXMGLGTGS-UONOGXRCSA-N 2 2 310.442 0.763 10 0 DCAELP Cc1ccc([C@H]([NH3+])C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000262509337 280988911 /nfs/dbraw/zinc/98/89/11/280988911.db2.gz MUPYAWDDJIICGA-CVEARBPZSA-N 2 2 303.406 0.928 10 0 DCAELP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000188938083 281190676 /nfs/dbraw/zinc/19/06/76/281190676.db2.gz MPGFUNJHZRVXBK-NWDGAFQWSA-N 2 2 303.410 0.754 10 0 DCAELP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000188938083 281190677 /nfs/dbraw/zinc/19/06/77/281190677.db2.gz MPGFUNJHZRVXBK-NWDGAFQWSA-N 2 2 303.410 0.754 10 0 DCAELP [NH3+]C[C@@H]1C[N@H+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CCCO1 ZINC000333768650 295260398 /nfs/dbraw/zinc/26/03/98/295260398.db2.gz DYCIGANTVJXOBM-RBSFLKMASA-N 2 2 311.426 0.206 10 0 DCAELP [NH3+]C[C@@H]1C[N@@H+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CCCO1 ZINC000333768650 295260399 /nfs/dbraw/zinc/26/03/99/295260399.db2.gz DYCIGANTVJXOBM-RBSFLKMASA-N 2 2 311.426 0.206 10 0 DCAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2nnnn2C)nc[nH+]1 ZINC000189849212 522570513 /nfs/dbraw/zinc/57/05/13/522570513.db2.gz WFCYIVUGBOTVFT-MNOVXSKESA-N 2 2 317.401 0.361 10 0 DCAELP C[C@H](C(=O)NC[C@@H]1C[NH+](C)CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000111587837 526066895 /nfs/dbraw/zinc/06/68/95/526066895.db2.gz GPTQWQMPFKCXTG-RHSMWYFYSA-N 2 2 317.433 0.880 10 0 DCAELP C[C@H](C(=O)NC[C@@H]1C[NH+](C)CCO1)[N@H+]1CCc2ccccc2C1 ZINC000111587837 526066909 /nfs/dbraw/zinc/06/69/09/526066909.db2.gz GPTQWQMPFKCXTG-RHSMWYFYSA-N 2 2 317.433 0.880 10 0 DCAELP C[C@H](C(=O)NC[C@@H]1C[N@H+](C)CCO1)[NH+]1CCc2ccccc2C1 ZINC000111587837 526066918 /nfs/dbraw/zinc/06/69/18/526066918.db2.gz GPTQWQMPFKCXTG-RHSMWYFYSA-N 2 2 317.433 0.880 10 0 DCAELP C[C@H](C(=O)NC[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCc2ccccc2C1 ZINC000111587837 526066932 /nfs/dbraw/zinc/06/69/32/526066932.db2.gz GPTQWQMPFKCXTG-RHSMWYFYSA-N 2 2 317.433 0.880 10 0 DCAELP O=C([C@@H]1Cc2ccccc2C[NH2+]1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000237984865 545958855 /nfs/dbraw/zinc/95/88/55/545958855.db2.gz WNCGBJXIGAMVST-SJORKVTESA-N 2 2 315.417 0.634 10 0 DCAELP O=C([C@@H]1Cc2ccccc2C[NH2+]1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000237985301 545959007 /nfs/dbraw/zinc/95/90/07/545959007.db2.gz WNCGBJXIGAMVST-IRXDYDNUSA-N 2 2 315.417 0.634 10 0 DCAELP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2[NH2+]CCc3ccccc32)C[C@H]1C ZINC000252671383 545975195 /nfs/dbraw/zinc/97/51/95/545975195.db2.gz OPCXVPZVFATEAW-KEYYUXOJSA-N 2 2 317.433 0.787 10 0 DCAELP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2[NH2+]CCc3ccccc32)C[C@H]1C ZINC000252671383 545975197 /nfs/dbraw/zinc/97/51/97/545975197.db2.gz OPCXVPZVFATEAW-KEYYUXOJSA-N 2 2 317.433 0.787 10 0 DCAELP c1cn(CCCNc2nc(N[C@H]3CCCOC3)cc[nH+]2)c[nH+]1 ZINC000328653554 231290809 /nfs/dbraw/zinc/29/08/09/231290809.db2.gz WXRNWDOWEQTHAL-ZDUSSCGKSA-N 2 2 302.382 0.610 10 0 DCAELP CC[C@H]1CN(C(=O)NCCCn2cc[nH+]c2)CC[N@@H+]1C[C@@H](C)O ZINC000181525639 199310650 /nfs/dbraw/zinc/31/06/50/199310650.db2.gz NDUPBBKWIQQFAM-CABCVRRESA-N 2 2 323.441 0.760 10 0 DCAELP CC[C@H]1CN(C(=O)NCCCn2cc[nH+]c2)CC[N@H+]1C[C@@H](C)O ZINC000181525639 199310652 /nfs/dbraw/zinc/31/06/52/199310652.db2.gz NDUPBBKWIQQFAM-CABCVRRESA-N 2 2 323.441 0.760 10 0 DCAELP C[C@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@H](C)[NH+]1CCOCC1 ZINC000333364705 299120564 /nfs/dbraw/zinc/12/05/64/299120564.db2.gz LRDQGGDHRTYNPY-BYNSBNAKSA-N 2 2 310.442 0.347 10 0 DCAELP Cc1cc(N2CCC[C@@H]([NH2+]Cc3c[nH+]cn3C)C2=O)n(C)n1 ZINC000173854186 198261220 /nfs/dbraw/zinc/26/12/20/198261220.db2.gz ZGYVJVMKAXNNIH-CYBMUJFWSA-N 2 2 302.382 0.747 10 0 DCAELP C[N@@H+]1CC[C@@H]2CCN(c3cc(N4CCC[C@H]4CO)[nH+]cn3)[C@@H]2C1 ZINC000330347917 283079119 /nfs/dbraw/zinc/07/91/19/283079119.db2.gz IGFAYNPDIKSEDO-QLFBSQMISA-N 2 2 317.437 0.968 10 0 DCAELP C[N@H+]1CC[C@@H]2CCN(c3cc(N4CCC[C@H]4CO)[nH+]cn3)[C@@H]2C1 ZINC000330347917 283079120 /nfs/dbraw/zinc/07/91/20/283079120.db2.gz IGFAYNPDIKSEDO-QLFBSQMISA-N 2 2 317.437 0.968 10 0 DCAELP C[C@@H](NC(=O)C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1)C(=O)N1CCCCC1 ZINC000261737411 296048995 /nfs/dbraw/zinc/04/89/95/296048995.db2.gz OUOXTLQOZSMVRW-ZIAGYGMSSA-N 2 2 324.469 0.563 10 0 DCAELP C[C@@H](NC(=O)C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1)C(=O)N1CCCCC1 ZINC000261737411 296048996 /nfs/dbraw/zinc/04/89/96/296048996.db2.gz OUOXTLQOZSMVRW-ZIAGYGMSSA-N 2 2 324.469 0.563 10 0 DCAELP CN(CCC[NH+](C)C)C(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000571587247 291522706 /nfs/dbraw/zinc/52/27/06/291522706.db2.gz IHQGIZSOIGOCSG-UHFFFAOYSA-N 2 2 309.414 0.190 10 0 DCAELP C[C@H](C[NH+]1CCOCC1)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000091559227 395726178 /nfs/dbraw/zinc/72/61/78/395726178.db2.gz YFHNYBORARDDPG-MSOLQXFVSA-N 2 2 324.513 0.809 10 0 DCAELP C[C@H](C[NH+]1CCOCC1)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000091559227 395726179 /nfs/dbraw/zinc/72/61/79/395726179.db2.gz YFHNYBORARDDPG-MSOLQXFVSA-N 2 2 324.513 0.809 10 0 DCAELP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195297557 395824002 /nfs/dbraw/zinc/82/40/02/395824002.db2.gz YFFKPJZJYZFDLS-GXTWGEPZSA-N 2 2 319.409 0.419 10 0 DCAELP C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195297557 395824005 /nfs/dbraw/zinc/82/40/05/395824005.db2.gz YFFKPJZJYZFDLS-GXTWGEPZSA-N 2 2 319.409 0.419 10 0 DCAELP C[C@@H](C(=O)NC(N)=O)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195297557 395824007 /nfs/dbraw/zinc/82/40/07/395824007.db2.gz YFFKPJZJYZFDLS-GXTWGEPZSA-N 2 2 319.409 0.419 10 0 DCAELP C[C@@H](C(=O)NC(N)=O)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195297557 395824009 /nfs/dbraw/zinc/82/40/09/395824009.db2.gz YFFKPJZJYZFDLS-GXTWGEPZSA-N 2 2 319.409 0.419 10 0 DCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1(C)COC1 ZINC000112753464 395824241 /nfs/dbraw/zinc/82/42/41/395824241.db2.gz GDWYHGNXLQGNMD-UHFFFAOYSA-N 2 2 312.458 0.690 10 0 DCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1(C)COC1 ZINC000112753464 395824242 /nfs/dbraw/zinc/82/42/42/395824242.db2.gz GDWYHGNXLQGNMD-UHFFFAOYSA-N 2 2 312.458 0.690 10 0 DCAELP CCCNC(=O)CN(C)C(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245448778 395930112 /nfs/dbraw/zinc/93/01/12/395930112.db2.gz NDHBOWPNAFZNRD-KBPBESRZSA-N 2 2 312.458 0.386 10 0 DCAELP CCCNC(=O)CN(C)C(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245448778 395930117 /nfs/dbraw/zinc/93/01/17/395930117.db2.gz NDHBOWPNAFZNRD-KBPBESRZSA-N 2 2 312.458 0.386 10 0 DCAELP CCCNC(=O)CN(C)C(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245448778 395930120 /nfs/dbraw/zinc/93/01/20/395930120.db2.gz NDHBOWPNAFZNRD-KBPBESRZSA-N 2 2 312.458 0.386 10 0 DCAELP CCCNC(=O)CN(C)C(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245448778 395930125 /nfs/dbraw/zinc/93/01/25/395930125.db2.gz NDHBOWPNAFZNRD-KBPBESRZSA-N 2 2 312.458 0.386 10 0 DCAELP C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C[N@@H+]1C1CC1 ZINC000246385801 395948645 /nfs/dbraw/zinc/94/86/45/395948645.db2.gz RZSKFEKVZYILLV-IIAWOOMASA-N 2 2 322.453 0.728 10 0 DCAELP C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C[N@H+]1C1CC1 ZINC000246385801 395948649 /nfs/dbraw/zinc/94/86/49/395948649.db2.gz RZSKFEKVZYILLV-IIAWOOMASA-N 2 2 322.453 0.728 10 0 DCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N[C@H](C)C(=O)N(C)C ZINC000246949335 395962130 /nfs/dbraw/zinc/96/21/30/395962130.db2.gz IADXLYROIJVUGH-OCCSQVGLSA-N 2 2 321.425 0.249 10 0 DCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H](C)C(=O)N(C)C ZINC000246949335 395962135 /nfs/dbraw/zinc/96/21/35/395962135.db2.gz IADXLYROIJVUGH-OCCSQVGLSA-N 2 2 321.425 0.249 10 0 DCAELP COc1cc[nH+]c(CN2CC[N@H+](C[C@H](C)O)[C@H](C)C2)c1OC ZINC000249041892 396001818 /nfs/dbraw/zinc/00/18/18/396001818.db2.gz GWBMOGNUBMGYKB-OLZOCXBDSA-N 2 2 309.410 0.986 10 0 DCAELP COc1cc[nH+]c(CN2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)c1OC ZINC000249041892 396001821 /nfs/dbraw/zinc/00/18/21/396001821.db2.gz GWBMOGNUBMGYKB-OLZOCXBDSA-N 2 2 309.410 0.986 10 0 DCAELP C[C@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000261852824 396072860 /nfs/dbraw/zinc/07/28/60/396072860.db2.gz DPTUROHYJHZSFW-KBPBESRZSA-N 2 2 310.442 0.045 10 0 DCAELP C[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000261852824 396072862 /nfs/dbraw/zinc/07/28/62/396072862.db2.gz DPTUROHYJHZSFW-KBPBESRZSA-N 2 2 310.442 0.045 10 0 DCAELP COC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000262257264 396115940 /nfs/dbraw/zinc/11/59/40/396115940.db2.gz JCQCUCFUYLPUPI-MELADBBJSA-N 2 2 313.348 0.800 10 0 DCAELP COC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000262257264 396115943 /nfs/dbraw/zinc/11/59/43/396115943.db2.gz JCQCUCFUYLPUPI-MELADBBJSA-N 2 2 313.348 0.800 10 0 DCAELP COC[C@H]([NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000262320829 396123936 /nfs/dbraw/zinc/12/39/36/396123936.db2.gz QIGCGGMCQGLUMM-BZPMIXESSA-N 2 2 322.409 0.285 10 0 DCAELP COC[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000262368778 396130808 /nfs/dbraw/zinc/13/08/08/396130808.db2.gz XINPOMSENGERSV-HNNXBMFYSA-N 2 2 307.394 0.109 10 0 DCAELP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261912263 396078578 /nfs/dbraw/zinc/07/85/78/396078578.db2.gz JFCULTUUFDIFLY-TWMKSMIVSA-N 3 2 310.486 0.369 10 0 DCAELP C[NH+]1CCC([C@H]2CCN(C(=O)c3n[nH]c4c3C[NH2+]CC4)C2)CC1 ZINC000262809875 396183612 /nfs/dbraw/zinc/18/36/12/396183612.db2.gz TYVWWCJLYYAWIJ-ZDUSSCGKSA-N 2 2 317.437 0.859 10 0 DCAELP CCn1cc[nH+]c1CN(C(=O)C1C[NH2+]C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262953163 396193836 /nfs/dbraw/zinc/19/38/36/396193836.db2.gz OZIAUJHLUFHOEW-CQSZACIVSA-N 3 2 317.437 0.593 10 0 DCAELP C[C@@H]1C[C@H]([NH2+]C[C@]2(CO)COCC3(CCC3)N2C)C[N@@H+]1C1CC1 ZINC000527752840 396547541 /nfs/dbraw/zinc/54/75/41/396547541.db2.gz IUSIVPWLMLBMAK-VKJFTORMSA-N 2 2 323.481 0.817 10 0 DCAELP C[C@@H]1C[C@H]([NH2+]C[C@]2(CO)COCC3(CCC3)N2C)C[N@H+]1C1CC1 ZINC000527752840 396547545 /nfs/dbraw/zinc/54/75/45/396547545.db2.gz IUSIVPWLMLBMAK-VKJFTORMSA-N 2 2 323.481 0.817 10 0 DCAELP c1nc(N2CCOCC2)cc(N2CC[C@H]3C[NH2+]C[C@H]3CC2)[nH+]1 ZINC000634810236 396922154 /nfs/dbraw/zinc/92/21/54/396922154.db2.gz QFLUYUKHJKNURA-OKILXGFUSA-N 2 2 303.410 0.749 10 0 DCAELP c1nc(N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc(N2CCOCC2)[nH+]1 ZINC000634810236 396922161 /nfs/dbraw/zinc/92/21/61/396922161.db2.gz QFLUYUKHJKNURA-OKILXGFUSA-N 2 2 303.410 0.749 10 0 DCAELP C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000572707058 397085564 /nfs/dbraw/zinc/08/55/64/397085564.db2.gz RNMUEZBKAHUPHP-GFCCVEGCSA-N 2 2 315.377 0.731 10 0 DCAELP C[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000572707058 397085569 /nfs/dbraw/zinc/08/55/69/397085569.db2.gz RNMUEZBKAHUPHP-GFCCVEGCSA-N 2 2 315.377 0.731 10 0 DCAELP CCOCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000093312688 286075749 /nfs/dbraw/zinc/07/57/49/286075749.db2.gz KDNVSTLWBXKMJM-OAHLLOKOSA-N 2 2 315.458 0.428 10 0 DCAELP CCOCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000093312688 286075750 /nfs/dbraw/zinc/07/57/50/286075750.db2.gz KDNVSTLWBXKMJM-OAHLLOKOSA-N 2 2 315.458 0.428 10 0 DCAELP CCOCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000093312688 286075751 /nfs/dbraw/zinc/07/57/51/286075751.db2.gz KDNVSTLWBXKMJM-OAHLLOKOSA-N 2 2 315.458 0.428 10 0 DCAELP CCOCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000093312688 286075752 /nfs/dbraw/zinc/07/57/52/286075752.db2.gz KDNVSTLWBXKMJM-OAHLLOKOSA-N 2 2 315.458 0.428 10 0 DCAELP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000121682718 158212615 /nfs/dbraw/zinc/21/26/15/158212615.db2.gz DBMNZLVLCSJKJY-CVEARBPZSA-N 2 2 309.454 0.897 10 0 DCAELP O=C(C[C@@H]1CSCC[NH2+]1)NCc1cccnc1-n1cc[nH+]c1 ZINC000133456418 158318998 /nfs/dbraw/zinc/31/89/98/158318998.db2.gz ILLCMSAEGXFAAD-CYBMUJFWSA-N 2 2 317.418 0.979 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)CC1 ZINC000172045435 158390477 /nfs/dbraw/zinc/39/04/77/158390477.db2.gz WJLUZPUOEPYQJP-JZWPEALZSA-N 2 2 309.454 0.632 10 0 DCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)CC1 ZINC000172045435 158390480 /nfs/dbraw/zinc/39/04/80/158390480.db2.gz WJLUZPUOEPYQJP-JZWPEALZSA-N 2 2 309.454 0.632 10 0 DCAELP C[N@@H+]1CC[C@](O)(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000329601382 159105865 /nfs/dbraw/zinc/10/58/65/159105865.db2.gz KNCBLYSINVJDJV-KRWDZBQOSA-N 3 2 304.438 0.702 10 0 DCAELP C[N@H+]1CC[C@](O)(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000329601382 159105866 /nfs/dbraw/zinc/10/58/66/159105866.db2.gz KNCBLYSINVJDJV-KRWDZBQOSA-N 3 2 304.438 0.702 10 0 DCAELP CC(=O)N[C@@H]1CCCN(C(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000246514983 287084847 /nfs/dbraw/zinc/08/48/47/287084847.db2.gz BNVQPJAINAZLDJ-BMFZPTHFSA-N 2 2 324.469 0.528 10 0 DCAELP CC(=O)N[C@@H]1CCCN(C(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000246514983 287084849 /nfs/dbraw/zinc/08/48/49/287084849.db2.gz BNVQPJAINAZLDJ-BMFZPTHFSA-N 2 2 324.469 0.528 10 0 DCAELP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000246514983 287084850 /nfs/dbraw/zinc/08/48/50/287084850.db2.gz BNVQPJAINAZLDJ-BMFZPTHFSA-N 2 2 324.469 0.528 10 0 DCAELP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000246514983 287084852 /nfs/dbraw/zinc/08/48/52/287084852.db2.gz BNVQPJAINAZLDJ-BMFZPTHFSA-N 2 2 324.469 0.528 10 0 DCAELP CC(C)(CNC(=O)N1CCC2(CC[NH2+]C2)CC1)[NH+]1CCOCC1 ZINC000333440259 415650695 /nfs/dbraw/zinc/65/06/95/415650695.db2.gz VZAWMRUZVANQOA-UHFFFAOYSA-N 2 2 324.469 0.882 10 0 DCAELP C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000333475154 415661005 /nfs/dbraw/zinc/66/10/05/415661005.db2.gz BJLVIYDCNIBEOT-SOUVJXGZSA-N 2 2 310.442 0.491 10 0 DCAELP CO[C@H]1C[C@@H](CN(C)c2cc[nH+]c(N3CCOCC3)n2)[N@H+](C)C1 ZINC000343872702 415759784 /nfs/dbraw/zinc/75/97/84/415759784.db2.gz LFCXDXWKAFHVMG-KBPBESRZSA-N 2 2 321.425 0.469 10 0 DCAELP CO[C@H]1C[C@@H](CN(C)c2cc[nH+]c(N3CCOCC3)n2)[N@@H+](C)C1 ZINC000343872702 415759790 /nfs/dbraw/zinc/75/97/90/415759790.db2.gz LFCXDXWKAFHVMG-KBPBESRZSA-N 2 2 321.425 0.469 10 0 DCAELP C[C@@H]1C[NH+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@@H](C)O1 ZINC000126905060 415881963 /nfs/dbraw/zinc/88/19/63/415881963.db2.gz DOIKGWSVCUJLLJ-ZIAGYGMSSA-N 2 2 305.426 0.838 10 0 DCAELP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000173899420 416067871 /nfs/dbraw/zinc/06/78/71/416067871.db2.gz OHCVAFVPJNWRRK-CABCVRRESA-N 2 2 310.442 0.587 10 0 DCAELP CC[N@H+]1CCC[C@@H](NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000173899420 416067875 /nfs/dbraw/zinc/06/78/75/416067875.db2.gz OHCVAFVPJNWRRK-CABCVRRESA-N 2 2 310.442 0.587 10 0 DCAELP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)C1 ZINC000173912044 416068334 /nfs/dbraw/zinc/06/83/34/416068334.db2.gz HQHJDWMBPNPVRY-UONOGXRCSA-N 2 2 324.469 0.386 10 0 DCAELP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)C1 ZINC000173912044 416068337 /nfs/dbraw/zinc/06/83/37/416068337.db2.gz HQHJDWMBPNPVRY-UONOGXRCSA-N 2 2 324.469 0.386 10 0 DCAELP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)C1 ZINC000173912044 416068342 /nfs/dbraw/zinc/06/83/42/416068342.db2.gz HQHJDWMBPNPVRY-UONOGXRCSA-N 2 2 324.469 0.386 10 0 DCAELP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)C1 ZINC000173912044 416068346 /nfs/dbraw/zinc/06/83/46/416068346.db2.gz HQHJDWMBPNPVRY-UONOGXRCSA-N 2 2 324.469 0.386 10 0 DCAELP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CC(=O)NCC3CC3)C2)CC1 ZINC000174877392 416088838 /nfs/dbraw/zinc/08/88/38/416088838.db2.gz UBXQFZGVFSNZBO-MRXNPFEDSA-N 2 2 308.470 0.615 10 0 DCAELP CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](C)[NH+]2CCOCC2)C1 ZINC000177851305 416153114 /nfs/dbraw/zinc/15/31/14/416153114.db2.gz WYSKORCDPZCOQR-CABCVRRESA-N 2 2 312.458 0.690 10 0 DCAELP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](C)[NH+]2CCOCC2)C1 ZINC000177851305 416153116 /nfs/dbraw/zinc/15/31/16/416153116.db2.gz WYSKORCDPZCOQR-CABCVRRESA-N 2 2 312.458 0.690 10 0 DCAELP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@@H](CO)C2CC2)CC1 ZINC000358942911 416295438 /nfs/dbraw/zinc/29/54/38/416295438.db2.gz VDOYERIATPKPPV-AWEZNQCLSA-N 2 2 312.458 0.330 10 0 DCAELP c1cn2c([nH+]1)C[C@H](Nc1cc[nH+]c(N3CCOCC3)n1)CC2 ZINC000489948916 416566966 /nfs/dbraw/zinc/56/69/66/416566966.db2.gz SVCNLDICBUTSEI-GFCCVEGCSA-N 2 2 300.366 0.937 10 0 DCAELP C[NH+]1CCC(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000073485557 277029253 /nfs/dbraw/zinc/02/92/53/277029253.db2.gz CFJKJEZBYBNKCZ-INIZCTEOSA-N 2 2 324.469 0.977 10 0 DCAELP CNc1cc(N2CCC[C@H]2CNC(=O)[C@H]2CCC[NH2+]2)nc[nH+]1 ZINC000245908900 277043248 /nfs/dbraw/zinc/04/32/48/277043248.db2.gz FRQBWFPWQIQACG-NWDGAFQWSA-N 2 2 304.398 0.355 10 0 DCAELP CNc1cc(N2CCC[C@H]2CNC(=O)[C@H]2CCC[NH2+]2)[nH+]cn1 ZINC000245908900 277043250 /nfs/dbraw/zinc/04/32/50/277043250.db2.gz FRQBWFPWQIQACG-NWDGAFQWSA-N 2 2 304.398 0.355 10 0 DCAELP CC(=O)N[C@H](C)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000408078031 277051814 /nfs/dbraw/zinc/05/18/14/277051814.db2.gz GAXCWLRGNLOOIW-CHWSQXEVSA-N 2 2 310.442 0.138 10 0 DCAELP CC(=O)N[C@H](C)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000408078031 277051816 /nfs/dbraw/zinc/05/18/16/277051816.db2.gz GAXCWLRGNLOOIW-CHWSQXEVSA-N 2 2 310.442 0.138 10 0 DCAELP Cn1cc([C@@H]2C[NH2+]CCN2C(=O)c2ccc3[nH+]ccn3c2)cn1 ZINC000181397748 294282932 /nfs/dbraw/zinc/28/29/32/294282932.db2.gz WBYCTEUEAAZDRM-AWEZNQCLSA-N 2 2 310.361 0.855 10 0 DCAELP [NH3+][C@@H]1CCC[C@@H]2CN(c3cc(N4CCOCC4)nc[nH+]3)C[C@@H]21 ZINC000333621019 295310070 /nfs/dbraw/zinc/31/00/70/295310070.db2.gz ZLKVDRZARIMXHK-HZSPNIEDSA-N 2 2 303.410 0.877 10 0 DCAELP [NH3+][C@@H]1CCC[C@@H]2CN(c3cc(N4CCOCC4)[nH+]cn3)C[C@@H]21 ZINC000333621019 295310072 /nfs/dbraw/zinc/31/00/72/295310072.db2.gz ZLKVDRZARIMXHK-HZSPNIEDSA-N 2 2 303.410 0.877 10 0 DCAELP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193655554 298124537 /nfs/dbraw/zinc/12/45/37/298124537.db2.gz QVFZZZDXQJIUQV-BBBLOLIVSA-N 2 2 322.331 0.256 10 0 DCAELP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193655554 298124540 /nfs/dbraw/zinc/12/45/40/298124540.db2.gz QVFZZZDXQJIUQV-BBBLOLIVSA-N 2 2 322.331 0.256 10 0 DCAELP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193655554 298124543 /nfs/dbraw/zinc/12/45/43/298124543.db2.gz QVFZZZDXQJIUQV-BBBLOLIVSA-N 2 2 322.331 0.256 10 0 DCAELP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193655554 298124545 /nfs/dbraw/zinc/12/45/45/298124545.db2.gz QVFZZZDXQJIUQV-BBBLOLIVSA-N 2 2 322.331 0.256 10 0 DCAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H](C)[NH+]2CCOCC2)C1 ZINC000157223192 519691864 /nfs/dbraw/zinc/69/18/64/519691864.db2.gz RYOPFROOIRTSQV-KFWWJZLASA-N 2 2 312.458 0.735 10 0 DCAELP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H](C)[NH+]2CCOCC2)C1 ZINC000157223192 519691868 /nfs/dbraw/zinc/69/18/68/519691868.db2.gz RYOPFROOIRTSQV-KFWWJZLASA-N 2 2 312.458 0.735 10 0 DCAELP [NH3+]C1(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)CCOCC1 ZINC000261940960 658843641 /nfs/dbraw/zinc/84/36/41/658843641.db2.gz XKUJTJVGOCPJKL-UHFFFAOYSA-N 2 2 319.405 0.965 10 0 DCAELP Cc1[nH+]c2n(c1C)CCN(C(=O)[C@@H](C[NH3+])C1CCOCC1)C2 ZINC000864749280 667279453 /nfs/dbraw/zinc/27/94/53/667279453.db2.gz XHSHHHWESZIOMB-AWEZNQCLSA-N 2 2 306.410 0.844 10 0 DCAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCC(C(N)=O)CC2)[C@@H](C)C1 ZINC000246460711 1183098069 /nfs/dbraw/zinc/09/80/69/1183098069.db2.gz GAWYZUXLPKODCN-ZFWWWQNUSA-N 2 2 324.469 0.372 10 0 DCAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCC(C(N)=O)CC2)[C@@H](C)C1 ZINC000246460711 1183098073 /nfs/dbraw/zinc/09/80/73/1183098073.db2.gz GAWYZUXLPKODCN-ZFWWWQNUSA-N 2 2 324.469 0.372 10 0 DCAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCC(C(N)=O)CC2)[C@@H](C)C1 ZINC000246460711 1183098077 /nfs/dbraw/zinc/09/80/77/1183098077.db2.gz GAWYZUXLPKODCN-ZFWWWQNUSA-N 2 2 324.469 0.372 10 0 DCAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCC(C(N)=O)CC2)[C@@H](C)C1 ZINC000246460711 1183098081 /nfs/dbraw/zinc/09/80/81/1183098081.db2.gz GAWYZUXLPKODCN-ZFWWWQNUSA-N 2 2 324.469 0.372 10 0 DCAELP C[NH+](C)[C@H]1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000173977626 198275275 /nfs/dbraw/zinc/27/52/75/198275275.db2.gz VHACSYKJLVABQX-HNNXBMFYSA-N 2 2 317.437 0.366 10 0 DCAELP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000275445361 212336084 /nfs/dbraw/zinc/33/60/84/212336084.db2.gz WBVBMZRIXWMYAU-UONOGXRCSA-N 2 2 321.425 0.465 10 0 DCAELP C[C@H](CNC(=O)NC[C@@H]1CCc2[nH+]ccn2C1)[NH+]1CCOCC1 ZINC000275307624 212263337 /nfs/dbraw/zinc/26/33/37/212263337.db2.gz HPHWTFBPWISPRM-KGLIPLIRSA-N 2 2 321.425 0.465 10 0 DCAELP C[N@@H+]1CCO[C@@H](CNC(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000104780528 194038835 /nfs/dbraw/zinc/03/88/35/194038835.db2.gz UUWXBXFFPFNHEN-AWEZNQCLSA-N 2 2 317.393 0.507 10 0 DCAELP C[N@H+]1CCO[C@@H](CNC(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000104780528 194038837 /nfs/dbraw/zinc/03/88/37/194038837.db2.gz UUWXBXFFPFNHEN-AWEZNQCLSA-N 2 2 317.393 0.507 10 0 DCAELP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccco1 ZINC000105077707 194069976 /nfs/dbraw/zinc/06/99/76/194069976.db2.gz UYEBTHLLYIJYFZ-STQMWFEESA-N 2 2 310.398 0.512 10 0 DCAELP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCO1)c1ccco1 ZINC000105077707 194069977 /nfs/dbraw/zinc/06/99/77/194069977.db2.gz UYEBTHLLYIJYFZ-STQMWFEESA-N 2 2 310.398 0.512 10 0 DCAELP C[N@@H+]1CCO[C@@H](CNC(=O)NCCC[NH2+]C2CCCCC2)C1 ZINC000105280492 194093268 /nfs/dbraw/zinc/09/32/68/194093268.db2.gz KLHQGIILLDOVAW-HNNXBMFYSA-N 2 2 312.458 0.929 10 0 DCAELP C[N@H+]1CCO[C@@H](CNC(=O)NCCC[NH2+]C2CCCCC2)C1 ZINC000105280492 194093271 /nfs/dbraw/zinc/09/32/71/194093271.db2.gz KLHQGIILLDOVAW-HNNXBMFYSA-N 2 2 312.458 0.929 10 0 DCAELP O=C1CNC(=O)N1CCC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000065473978 184351491 /nfs/dbraw/zinc/35/14/91/184351491.db2.gz NWLBYRKDZOTXCY-CYBMUJFWSA-N 2 2 317.393 0.757 10 0 DCAELP O=C1CNC(=O)N1CCC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000065473978 184351492 /nfs/dbraw/zinc/35/14/92/184351492.db2.gz NWLBYRKDZOTXCY-CYBMUJFWSA-N 2 2 317.393 0.757 10 0 DCAELP CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000175370159 285285866 /nfs/dbraw/zinc/28/58/66/285285866.db2.gz DUYOIAINDQYJFF-JKSUJKDBSA-N 2 2 324.469 0.977 10 0 DCAELP CC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000175370159 285285867 /nfs/dbraw/zinc/28/58/67/285285867.db2.gz DUYOIAINDQYJFF-JKSUJKDBSA-N 2 2 324.469 0.977 10 0 DCAELP C[C@@H]1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@H]1O ZINC000090149572 395718742 /nfs/dbraw/zinc/71/87/42/395718742.db2.gz PSYLZXBLEOAOFL-UKRRQHHQSA-N 2 2 312.458 0.425 10 0 DCAELP COCc1ccccc1CNC(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193615283 395773991 /nfs/dbraw/zinc/77/39/91/395773991.db2.gz KPIBBVXGFWFHTD-CALCHBBNSA-N 2 2 317.433 0.943 10 0 DCAELP COCc1ccccc1CNC(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193615283 395773992 /nfs/dbraw/zinc/77/39/92/395773992.db2.gz KPIBBVXGFWFHTD-CALCHBBNSA-N 2 2 317.433 0.943 10 0 DCAELP COCc1ccccc1CNC(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193615283 395773996 /nfs/dbraw/zinc/77/39/96/395773996.db2.gz KPIBBVXGFWFHTD-CALCHBBNSA-N 2 2 317.433 0.943 10 0 DCAELP COCc1ccccc1CNC(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193615283 395773998 /nfs/dbraw/zinc/77/39/98/395773998.db2.gz KPIBBVXGFWFHTD-CALCHBBNSA-N 2 2 317.433 0.943 10 0 DCAELP C[NH+]1CCC[C@H]2CN(C(=O)NC[C@@H]3C[N@H+](C)CCO3)CC[C@H]21 ZINC000247348725 395972320 /nfs/dbraw/zinc/97/23/20/395972320.db2.gz XZXFQROYAMGKIS-RRFJBIMHSA-N 2 2 310.442 0.443 10 0 DCAELP C[NH+]1CCC[C@H]2CN(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)CC[C@H]21 ZINC000247348725 395972322 /nfs/dbraw/zinc/97/23/22/395972322.db2.gz XZXFQROYAMGKIS-RRFJBIMHSA-N 2 2 310.442 0.443 10 0 DCAELP C[NH+]1CCO[C@H](CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)C1 ZINC000247348725 395972323 /nfs/dbraw/zinc/97/23/23/395972323.db2.gz XZXFQROYAMGKIS-RRFJBIMHSA-N 2 2 310.442 0.443 10 0 DCAELP C[NH+]1CCO[C@H](CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)C1 ZINC000247348725 395972326 /nfs/dbraw/zinc/97/23/26/395972326.db2.gz XZXFQROYAMGKIS-RRFJBIMHSA-N 2 2 310.442 0.443 10 0 DCAELP COc1cc[nH+]cc1NC(=O)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000150776591 395972464 /nfs/dbraw/zinc/97/24/64/395972464.db2.gz NDIZUHSZMBDONJ-AAEUAGOBSA-N 2 2 320.393 0.874 10 0 DCAELP COc1cc[nH+]cc1NC(=O)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000150776591 395972467 /nfs/dbraw/zinc/97/24/67/395972467.db2.gz NDIZUHSZMBDONJ-AAEUAGOBSA-N 2 2 320.393 0.874 10 0 DCAELP CC[C@H]1CN(C(=O)NCCCn2cc[nH+]c2)CC[N@@H+]1C[C@H](C)O ZINC000248373992 395985614 /nfs/dbraw/zinc/98/56/14/395985614.db2.gz NDUPBBKWIQQFAM-GJZGRUSLSA-N 2 2 323.441 0.760 10 0 DCAELP CC[C@H]1CN(C(=O)NCCCn2cc[nH+]c2)CC[N@H+]1C[C@H](C)O ZINC000248373992 395985617 /nfs/dbraw/zinc/98/56/17/395985617.db2.gz NDUPBBKWIQQFAM-GJZGRUSLSA-N 2 2 323.441 0.760 10 0 DCAELP Cc1cc(NC(=O)CN2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)no1 ZINC000261746081 396062292 /nfs/dbraw/zinc/06/22/92/396062292.db2.gz JAQAYMPBUXNKON-MRXNPFEDSA-N 2 2 321.425 0.539 10 0 DCAELP CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H](C)[NH+]2CCOCC2)C1 ZINC000249734414 396012160 /nfs/dbraw/zinc/01/21/60/396012160.db2.gz DEILFHYHIBLOID-LSDHHAIUSA-N 2 2 312.458 0.738 10 0 DCAELP CCC[N@H+]1CC[C@H](CNC(=O)NC[C@H](C)[NH+]2CCOCC2)C1 ZINC000249734414 396012164 /nfs/dbraw/zinc/01/21/64/396012164.db2.gz DEILFHYHIBLOID-LSDHHAIUSA-N 2 2 312.458 0.738 10 0 DCAELP C[C@]1(C[NH+]2CCN(c3ccc4nncn4n3)CC2)CC[NH2+]C1 ZINC000262097118 396098932 /nfs/dbraw/zinc/09/89/32/396098932.db2.gz VHPCBWFBQBBAMF-HNNXBMFYSA-N 2 2 301.398 0.246 10 0 DCAELP O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000263219896 396206745 /nfs/dbraw/zinc/20/67/45/396206745.db2.gz LREYDRCXYQZFAK-CHWSQXEVSA-N 2 2 317.380 0.554 10 0 DCAELP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263284648 396210834 /nfs/dbraw/zinc/21/08/34/396210834.db2.gz UUERLBAUANPKJL-STQMWFEESA-N 2 2 319.396 0.943 10 0 DCAELP C[C@H]1CN(C(=O)NCCn2cc[nH+]c2)C[C@H]1[NH+]1CCOCC1 ZINC000177298167 396171098 /nfs/dbraw/zinc/17/10/98/396171098.db2.gz GDWCVBQZKYKCBH-UONOGXRCSA-N 2 2 307.398 0.245 10 0 DCAELP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263072383 396200419 /nfs/dbraw/zinc/20/04/19/396200419.db2.gz WQVRHLFHMOPDBH-QWRGUYRKSA-N 2 2 319.352 0.079 10 0 DCAELP C[C@]1(C(N)=O)CCCC[NH+]1CCC[N@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185963142 396338411 /nfs/dbraw/zinc/33/84/11/396338411.db2.gz TWEFOBUGKRDDDR-CALCHBBNSA-N 2 2 324.469 0.836 10 0 DCAELP C[C@]1(C(N)=O)CCCC[NH+]1CCC[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185963142 396338414 /nfs/dbraw/zinc/33/84/14/396338414.db2.gz TWEFOBUGKRDDDR-CALCHBBNSA-N 2 2 324.469 0.836 10 0 DCAELP C[C@]1(C(N)=O)CCCC[N@H+]1CCC[NH+]1CCCC[C@@]1(C)C(N)=O ZINC000185963142 396338415 /nfs/dbraw/zinc/33/84/15/396338415.db2.gz TWEFOBUGKRDDDR-CALCHBBNSA-N 2 2 324.469 0.836 10 0 DCAELP C[C@]1(C(N)=O)CCCC[N@@H+]1CCC[NH+]1CCCC[C@@]1(C)C(N)=O ZINC000185963142 396338419 /nfs/dbraw/zinc/33/84/19/396338419.db2.gz TWEFOBUGKRDDDR-CALCHBBNSA-N 2 2 324.469 0.836 10 0 DCAELP C[C@@H]([NH3+])CCC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000193303882 396448712 /nfs/dbraw/zinc/44/87/12/396448712.db2.gz VIGOFMFNNDEHTQ-TZMCWYRMSA-N 2 2 301.456 0.438 10 0 DCAELP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC000289309037 396458749 /nfs/dbraw/zinc/45/87/49/396458749.db2.gz JAHPNMCBWCOGCC-CYBMUJFWSA-N 2 2 304.394 0.879 10 0 DCAELP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC000289309037 396458752 /nfs/dbraw/zinc/45/87/52/396458752.db2.gz JAHPNMCBWCOGCC-CYBMUJFWSA-N 2 2 304.394 0.879 10 0 DCAELP CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000093168517 158118816 /nfs/dbraw/zinc/11/88/16/158118816.db2.gz IVYFFTJHXPCXIV-CQSZACIVSA-N 2 2 310.442 0.093 10 0 DCAELP CCN(CC)C(=O)[C@H]1CCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000093168517 158118819 /nfs/dbraw/zinc/11/88/19/158118819.db2.gz IVYFFTJHXPCXIV-CQSZACIVSA-N 2 2 310.442 0.093 10 0 DCAELP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC000119441544 158187032 /nfs/dbraw/zinc/18/70/32/158187032.db2.gz VHDRZPOCLXXYSL-CABCVRRESA-N 2 2 320.437 0.658 10 0 DCAELP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC000119441544 158187033 /nfs/dbraw/zinc/18/70/33/158187033.db2.gz VHDRZPOCLXXYSL-CABCVRRESA-N 2 2 320.437 0.658 10 0 DCAELP CC1(C)C[N@H+](CCNC(=O)N2CCC[NH+](C3CC3)CC2)CCO1 ZINC000171223837 158380581 /nfs/dbraw/zinc/38/05/81/158380581.db2.gz KJGGXZJNXBEHPU-UHFFFAOYSA-N 2 2 324.469 0.977 10 0 DCAELP CC1(C)C[N@@H+](CCNC(=O)N2CCC[NH+](C3CC3)CC2)CCO1 ZINC000171223837 158380583 /nfs/dbraw/zinc/38/05/83/158380583.db2.gz KJGGXZJNXBEHPU-UHFFFAOYSA-N 2 2 324.469 0.977 10 0 DCAELP CC1(C)C[NH+](CCNC(=O)N2CCC[N@@H+](C3CC3)CC2)CCO1 ZINC000171223837 158380585 /nfs/dbraw/zinc/38/05/85/158380585.db2.gz KJGGXZJNXBEHPU-UHFFFAOYSA-N 2 2 324.469 0.977 10 0 DCAELP CC1(C)C[NH+](CCNC(=O)N2CCC[N@H+](C3CC3)CC2)CCO1 ZINC000171223837 158380587 /nfs/dbraw/zinc/38/05/87/158380587.db2.gz KJGGXZJNXBEHPU-UHFFFAOYSA-N 2 2 324.469 0.977 10 0 DCAELP CC1(C)C[N@H+](CCNC(=O)N2CC[NH+](C3CC3)CC2)CCO1 ZINC000171675734 158385372 /nfs/dbraw/zinc/38/53/72/158385372.db2.gz NFCFZJYVGYNWFB-UHFFFAOYSA-N 2 2 310.442 0.587 10 0 DCAELP CC1(C)C[N@@H+](CCNC(=O)N2CC[NH+](C3CC3)CC2)CCO1 ZINC000171675734 158385376 /nfs/dbraw/zinc/38/53/76/158385376.db2.gz NFCFZJYVGYNWFB-UHFFFAOYSA-N 2 2 310.442 0.587 10 0 DCAELP CCOCCOCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177134059 287053969 /nfs/dbraw/zinc/05/39/69/287053969.db2.gz MPEGMJDJWGOSDU-UHFFFAOYSA-N 2 2 301.431 0.182 10 0 DCAELP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000079252220 415469830 /nfs/dbraw/zinc/46/98/30/415469830.db2.gz IPZOGTYZRXDITI-CABCVRRESA-N 2 2 314.474 0.983 10 0 DCAELP C[NH+]1CCN(c2cc(C(=O)NCCn3cc[nH+]c3)ccn2)CC1 ZINC000112273762 415709524 /nfs/dbraw/zinc/70/95/24/415709524.db2.gz OOUKIFUWZGRTOC-UHFFFAOYSA-N 2 2 314.393 0.460 10 0 DCAELP C[C@]1(F)C[NH2+]CCN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)C1 ZINC000333880755 415758913 /nfs/dbraw/zinc/75/89/13/415758913.db2.gz DKHARHQYOILKLX-WFASDCNBSA-N 2 2 309.389 0.576 10 0 DCAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)N(C)Cc2cnn(C)c2)CC[N@@H+]1C ZINC000172844075 416049280 /nfs/dbraw/zinc/04/92/80/416049280.db2.gz GNTYMMGMINUREO-UKRRQHHQSA-N 2 2 307.442 0.793 10 0 DCAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)N(C)Cc2cnn(C)c2)CC[N@H+]1C ZINC000172844075 416049283 /nfs/dbraw/zinc/04/92/83/416049283.db2.gz GNTYMMGMINUREO-UKRRQHHQSA-N 2 2 307.442 0.793 10 0 DCAELP C[C@@H]1C[C@H]([N@H+](C)CC(=O)N(C)Cc2cnn(C)c2)CC[NH+]1C ZINC000172844075 416049288 /nfs/dbraw/zinc/04/92/88/416049288.db2.gz GNTYMMGMINUREO-UKRRQHHQSA-N 2 2 307.442 0.793 10 0 DCAELP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)N(C)Cc2cnn(C)c2)CC[NH+]1C ZINC000172844075 416049292 /nfs/dbraw/zinc/04/92/92/416049292.db2.gz GNTYMMGMINUREO-UKRRQHHQSA-N 2 2 307.442 0.793 10 0 DCAELP CCCNC(=O)CN(C)C(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000173526826 416060715 /nfs/dbraw/zinc/06/07/15/416060715.db2.gz NDHBOWPNAFZNRD-KGLIPLIRSA-N 2 2 312.458 0.386 10 0 DCAELP CCCNC(=O)CN(C)C(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000173526826 416060717 /nfs/dbraw/zinc/06/07/17/416060717.db2.gz NDHBOWPNAFZNRD-KGLIPLIRSA-N 2 2 312.458 0.386 10 0 DCAELP CCCNC(=O)CN(C)C(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173526826 416060718 /nfs/dbraw/zinc/06/07/18/416060718.db2.gz NDHBOWPNAFZNRD-KGLIPLIRSA-N 2 2 312.458 0.386 10 0 DCAELP CCCNC(=O)CN(C)C(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000173526826 416060720 /nfs/dbraw/zinc/06/07/20/416060720.db2.gz NDHBOWPNAFZNRD-KGLIPLIRSA-N 2 2 312.458 0.386 10 0 DCAELP CC[NH+](CC)CC(=O)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000176632282 416131551 /nfs/dbraw/zinc/13/15/51/416131551.db2.gz XSYROKKUTWGXKF-AWEZNQCLSA-N 2 2 310.442 0.141 10 0 DCAELP C[C@@H]1CN(C(=O)c2ccc(C[NH3+])cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000178861230 416173877 /nfs/dbraw/zinc/17/38/77/416173877.db2.gz KWZIEQZFPCELOR-CJNGLKHVSA-N 2 2 303.406 0.938 10 0 DCAELP C[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)[C@H](C)[NH+]1CCOCC1 ZINC000183544345 416245445 /nfs/dbraw/zinc/24/54/45/416245445.db2.gz CQRLDFRLSFPNCQ-OLZOCXBDSA-N 2 2 306.410 0.987 10 0 DCAELP CS(=O)(=O)CC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000261978394 416335977 /nfs/dbraw/zinc/33/59/77/416335977.db2.gz RJKSVRRVFLJDFB-MGPQQGTHSA-N 2 2 316.467 0.558 10 0 DCAELP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)CC1 ZINC000367846991 416653868 /nfs/dbraw/zinc/65/38/68/416653868.db2.gz OAERNPFDGQYRFR-YOEHRIQHSA-N 2 2 322.453 0.093 10 0 DCAELP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)CC1 ZINC000367846991 416653874 /nfs/dbraw/zinc/65/38/74/416653874.db2.gz OAERNPFDGQYRFR-YOEHRIQHSA-N 2 2 322.453 0.093 10 0 DCAELP CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000367846991 416653876 /nfs/dbraw/zinc/65/38/76/416653876.db2.gz OAERNPFDGQYRFR-YOEHRIQHSA-N 2 2 322.453 0.093 10 0 DCAELP CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000367846991 416653879 /nfs/dbraw/zinc/65/38/79/416653879.db2.gz OAERNPFDGQYRFR-YOEHRIQHSA-N 2 2 322.453 0.093 10 0 DCAELP C[NH+]1CCC(CC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)CC1 ZINC000362867405 262083191 /nfs/dbraw/zinc/08/31/91/262083191.db2.gz LTUFKKFZRRBKCL-UHFFFAOYSA-N 2 2 310.442 0.126 10 0 DCAELP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000408390228 277235491 /nfs/dbraw/zinc/23/54/91/277235491.db2.gz SITOCIJMWXJYMQ-LLVKDONJSA-N 2 2 305.382 0.464 10 0 DCAELP CNC(=O)NC(=O)C[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000408390228 277235493 /nfs/dbraw/zinc/23/54/93/277235493.db2.gz SITOCIJMWXJYMQ-LLVKDONJSA-N 2 2 305.382 0.464 10 0 DCAELP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000333690235 297105477 /nfs/dbraw/zinc/10/54/77/297105477.db2.gz PRGBOQZBUSVPTA-KBMXLJTQSA-N 2 2 324.469 0.737 10 0 DCAELP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000333690235 297105480 /nfs/dbraw/zinc/10/54/80/297105480.db2.gz PRGBOQZBUSVPTA-KBMXLJTQSA-N 2 2 324.469 0.737 10 0 DCAELP [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000246258830 527365350 /nfs/dbraw/zinc/36/53/50/527365350.db2.gz KUMGCTOBWFHHSW-NFAWXSAZSA-N 2 2 313.467 0.438 10 0 DCAELP C[N@@H+]1CC[C@@H]2OCCN(C(=O)Cc3cn4ccccc4[nH+]3)[C@@H]2C1 ZINC000285736888 536468833 /nfs/dbraw/zinc/46/88/33/536468833.db2.gz KUFZXKNWFAZFPK-CABCVRRESA-N 2 2 314.389 0.808 10 0 DCAELP C[N@H+]1CC[C@@H]2OCCN(C(=O)Cc3cn4ccccc4[nH+]3)[C@@H]2C1 ZINC000285736888 536468834 /nfs/dbraw/zinc/46/88/34/536468834.db2.gz KUFZXKNWFAZFPK-CABCVRRESA-N 2 2 314.389 0.808 10 0 DCAELP Cn1cc(C[NH+]2CCC(O)(C[NH3+])CC2)c(Br)n1 ZINC000712432577 670149099 /nfs/dbraw/zinc/14/90/99/670149099.db2.gz AYCAEECATHTYLS-UHFFFAOYSA-N 2 2 303.204 0.468 10 0 DCAELP