smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+]1CCO[C@@H](CNC(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000104784279 204119127 /nfs/dbraw/zinc/11/91/27/204119127.db2.gz IVMPATUHCPCNKB-KRWDZBQOSA-N 2 2 347.463 0.676 10 0 ECAELP C[N@H+]1CCO[C@@H](CNC(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000104784279 204119131 /nfs/dbraw/zinc/11/91/31/204119131.db2.gz IVMPATUHCPCNKB-KRWDZBQOSA-N 2 2 347.463 0.676 10 0 ECAELP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000249036393 206328046 /nfs/dbraw/zinc/32/80/46/206328046.db2.gz MTABABKFIICJQE-HRCADAONSA-N 2 2 335.448 0.554 10 0 ECAELP C[C@@H]1C(=O)NCCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000249036875 296260184 /nfs/dbraw/zinc/26/01/84/296260184.db2.gz MNWRYKZWUDFKRS-GDBMZVCRSA-N 2 2 332.448 0.616 10 0 ECAELP C[C@@H]1C(=O)NCCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000249036875 296260185 /nfs/dbraw/zinc/26/01/85/296260185.db2.gz MNWRYKZWUDFKRS-GDBMZVCRSA-N 2 2 332.448 0.616 10 0 ECAELP C[NH+](C)CC(=O)N1CC[NH+](C[C@H](O)COCc2ccccc2)CC1 ZINC000175759415 207156429 /nfs/dbraw/zinc/15/64/29/207156429.db2.gz QNRKPHYUTNQWSV-KRWDZBQOSA-N 2 2 335.448 0.270 10 0 ECAELP CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@H]2CCC[N@@H+]2C)nc[nH+]1 ZINC000245684059 165113752 /nfs/dbraw/zinc/11/37/52/165113752.db2.gz GUDNIDYYNKPAQP-KGLIPLIRSA-N 2 2 347.467 0.881 10 0 ECAELP CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@H]2CCC[N@H+]2C)nc[nH+]1 ZINC000245684059 165113755 /nfs/dbraw/zinc/11/37/55/165113755.db2.gz GUDNIDYYNKPAQP-KGLIPLIRSA-N 2 2 347.467 0.881 10 0 ECAELP CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@H]2CCC[N@@H+]2C)[nH+]cn1 ZINC000245684059 165113757 /nfs/dbraw/zinc/11/37/57/165113757.db2.gz GUDNIDYYNKPAQP-KGLIPLIRSA-N 2 2 347.467 0.881 10 0 ECAELP CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@H]2CCC[N@H+]2C)[nH+]cn1 ZINC000245684059 165113759 /nfs/dbraw/zinc/11/37/59/165113759.db2.gz GUDNIDYYNKPAQP-KGLIPLIRSA-N 2 2 347.467 0.881 10 0 ECAELP CC[N@H+](C)[C@H](C(=O)NC[C@@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC000245682399 165114331 /nfs/dbraw/zinc/11/43/31/165114331.db2.gz LGMVLLJNNVOZNB-SJORKVTESA-N 2 2 335.448 0.489 10 0 ECAELP CC[N@@H+](C)[C@H](C(=O)NC[C@@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC000245682399 165114334 /nfs/dbraw/zinc/11/43/34/165114334.db2.gz LGMVLLJNNVOZNB-SJORKVTESA-N 2 2 335.448 0.489 10 0 ECAELP COC(=O)[C@@H]1C[C@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000245941205 165117815 /nfs/dbraw/zinc/11/78/15/165117815.db2.gz TUIIPKOMXFVGDM-GZNJTBKBSA-N 2 2 335.448 0.565 10 0 ECAELP COC(=O)[C@@H]1C[C@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000245941205 165117818 /nfs/dbraw/zinc/11/78/18/165117818.db2.gz TUIIPKOMXFVGDM-GZNJTBKBSA-N 2 2 335.448 0.565 10 0 ECAELP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@H]2C[NH+](C)CCO2)C[C@H](C)O1 ZINC000246351490 165131079 /nfs/dbraw/zinc/13/10/79/165131079.db2.gz DAGLKHUDLZQCCM-ZNMIVQPWSA-N 2 2 328.457 0.116 10 0 ECAELP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@H]2C[NH+](C)CCO2)C[C@H](C)O1 ZINC000246351490 165131086 /nfs/dbraw/zinc/13/10/86/165131086.db2.gz DAGLKHUDLZQCCM-ZNMIVQPWSA-N 2 2 328.457 0.116 10 0 ECAELP C[C@@H]1C[NH+](CCCNC(=O)NC[C@H]2C[N@H+](C)CCO2)C[C@H](C)O1 ZINC000246351490 165131087 /nfs/dbraw/zinc/13/10/87/165131087.db2.gz DAGLKHUDLZQCCM-ZNMIVQPWSA-N 2 2 328.457 0.116 10 0 ECAELP C[C@@H]1C[NH+](CCCNC(=O)NC[C@H]2C[N@@H+](C)CCO2)C[C@H](C)O1 ZINC000246351490 165131091 /nfs/dbraw/zinc/13/10/91/165131091.db2.gz DAGLKHUDLZQCCM-ZNMIVQPWSA-N 2 2 328.457 0.116 10 0 ECAELP COCC[N@@H+]1CCN(C(=O)N[C@H](C)C[NH+]2CCOCC2)C[C@@H]1C ZINC000246926525 165147506 /nfs/dbraw/zinc/14/75/06/165147506.db2.gz BNYQJXAAQCEOLL-CABCVRRESA-N 2 2 328.457 0.069 10 0 ECAELP COCC[N@H+]1CCN(C(=O)N[C@H](C)C[NH+]2CCOCC2)C[C@@H]1C ZINC000246926525 165147507 /nfs/dbraw/zinc/14/75/07/165147507.db2.gz BNYQJXAAQCEOLL-CABCVRRESA-N 2 2 328.457 0.069 10 0 ECAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+]([C@H](C)C(=O)N(C)C)CC2)C1 ZINC000247172474 165155971 /nfs/dbraw/zinc/15/59/71/165155971.db2.gz NBCRESNLDARTIN-CVEARBPZSA-N 2 2 326.485 0.190 10 0 ECAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+]([C@H](C)C(=O)N(C)C)CC2)C1 ZINC000247172474 165155977 /nfs/dbraw/zinc/15/59/77/165155977.db2.gz NBCRESNLDARTIN-CVEARBPZSA-N 2 2 326.485 0.190 10 0 ECAELP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263235246 277047011 /nfs/dbraw/zinc/04/70/11/277047011.db2.gz NWAVGIGFPYHAQR-KBPBESRZSA-N 2 2 330.423 0.612 10 0 ECAELP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263235246 277047012 /nfs/dbraw/zinc/04/70/12/277047012.db2.gz NWAVGIGFPYHAQR-KBPBESRZSA-N 2 2 330.423 0.612 10 0 ECAELP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000076306681 436200522 /nfs/dbraw/zinc/20/05/22/436200522.db2.gz SFEUFQLECOZVRI-GOEBONIOSA-N 2 2 327.469 0.617 10 0 ECAELP C[C@@H](CNC(=O)C1CC[NH+](Cc2nccn2C)CC1)[NH+]1CCOCC1 ZINC000052610227 436511370 /nfs/dbraw/zinc/51/13/70/436511370.db2.gz LRLPEJQOLYPIDK-HNNXBMFYSA-N 2 2 349.479 0.469 10 0 ECAELP C[N@H+](CCCO)C1CCN(c2cc(N3CCC[C@@H]3CO)nc[nH+]2)CC1 ZINC000115519869 436647210 /nfs/dbraw/zinc/64/72/10/436647210.db2.gz CEHWUDKJVZVOHW-MRXNPFEDSA-N 2 2 349.479 0.721 10 0 ECAELP C[N@@H+](CCCO)C1CCN(c2cc(N3CCC[C@@H]3CO)nc[nH+]2)CC1 ZINC000115519869 436647212 /nfs/dbraw/zinc/64/72/12/436647212.db2.gz CEHWUDKJVZVOHW-MRXNPFEDSA-N 2 2 349.479 0.721 10 0 ECAELP C[N@H+](CCCO)C1CCN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000115519869 436647214 /nfs/dbraw/zinc/64/72/14/436647214.db2.gz CEHWUDKJVZVOHW-MRXNPFEDSA-N 2 2 349.479 0.721 10 0 ECAELP C[N@@H+](CCCO)C1CCN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000115519869 436647216 /nfs/dbraw/zinc/64/72/16/436647216.db2.gz CEHWUDKJVZVOHW-MRXNPFEDSA-N 2 2 349.479 0.721 10 0 ECAELP O=C(CN1CC[N@H+]2CCC[C@@H]2C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000170958631 436961928 /nfs/dbraw/zinc/96/19/28/436961928.db2.gz XKDPNGMVZGUHRL-MRXNPFEDSA-N 2 2 332.448 0.704 10 0 ECAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000263138865 436951998 /nfs/dbraw/zinc/95/19/98/436951998.db2.gz CDKLEMZDZJWEGY-YMTOWFKASA-N 2 2 325.775 0.730 10 0 ECAELP CC[C@H](C)NC(=O)C[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000171574868 436981913 /nfs/dbraw/zinc/98/19/13/436981913.db2.gz BTYZSWQNUNJGEF-DLBZAZTESA-N 2 2 340.512 0.628 10 0 ECAELP CC[C@H](C)NC(=O)C[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000171574868 436981915 /nfs/dbraw/zinc/98/19/15/436981915.db2.gz BTYZSWQNUNJGEF-DLBZAZTESA-N 2 2 340.512 0.628 10 0 ECAELP CNc1cc(N2CCC[C@H]2CNC(=O)NC2CC[NH+](C)CC2)nc[nH+]1 ZINC000173380639 437047716 /nfs/dbraw/zinc/04/77/16/437047716.db2.gz ULMNEKQBIFTKKO-AWEZNQCLSA-N 2 2 347.467 0.881 10 0 ECAELP CNc1cc(N2CCC[C@H]2CNC(=O)NC2CC[NH+](C)CC2)[nH+]cn1 ZINC000173380639 437047721 /nfs/dbraw/zinc/04/77/21/437047721.db2.gz ULMNEKQBIFTKKO-AWEZNQCLSA-N 2 2 347.467 0.881 10 0 ECAELP COCC[NH+]1CCC(NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CC1 ZINC000173397135 437048749 /nfs/dbraw/zinc/04/87/49/437048749.db2.gz DPRBGPHBFXRKOC-MRXNPFEDSA-N 2 2 340.468 0.213 10 0 ECAELP C[NH+](C)CCCOC1CCN(C(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000175735240 437115821 /nfs/dbraw/zinc/11/58/21/437115821.db2.gz MROXOIXVRRHMFK-INIZCTEOSA-N 2 2 342.484 0.459 10 0 ECAELP C[NH+](C)CCCOC1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000175735240 437115826 /nfs/dbraw/zinc/11/58/26/437115826.db2.gz MROXOIXVRRHMFK-INIZCTEOSA-N 2 2 342.484 0.459 10 0 ECAELP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000181809686 437330677 /nfs/dbraw/zinc/33/06/77/437330677.db2.gz TUDCGJIHUNZIMW-CVEARBPZSA-N 2 2 342.484 0.053 10 0 ECAELP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@@H]1C[NH2+]CCOC1 ZINC000649277800 440432414 /nfs/dbraw/zinc/43/24/14/440432414.db2.gz SPODOCNUQUMBGU-IAGOWNOFSA-N 2 2 333.432 0.240 10 0 ECAELP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@H]1C[NH2+]CCOC1 ZINC000649277800 440432419 /nfs/dbraw/zinc/43/24/19/440432419.db2.gz SPODOCNUQUMBGU-IAGOWNOFSA-N 2 2 333.432 0.240 10 0 ECAELP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000246732087 545940253 /nfs/dbraw/zinc/94/02/53/545940253.db2.gz YKPDSWHMDKZNSS-BPQIPLTHSA-N 2 2 347.459 0.698 10 0 ECAELP Cc1cc(N2CCC[C@H](NC(=O)[C@]3(C)C[C@@H](O)C[N@H+]3C)C2)nc(C)[nH+]1 ZINC000900636164 586650130 /nfs/dbraw/zinc/65/01/30/586650130.db2.gz ISRWSUZIDKWITN-DAYGRLMNSA-N 2 2 347.463 0.634 10 0 ECAELP Cc1cc(N2CCC[C@H](NC(=O)[C@]3(C)C[C@@H](O)C[N@@H+]3C)C2)nc(C)[nH+]1 ZINC000900636164 586650132 /nfs/dbraw/zinc/65/01/32/586650132.db2.gz ISRWSUZIDKWITN-DAYGRLMNSA-N 2 2 347.463 0.634 10 0 ECAELP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCC(=O)N(C)[C@H]2c2nccn2C)n1C ZINC000886094255 590794423 /nfs/dbraw/zinc/79/44/23/590794423.db2.gz YMKJEGFCHHMTKK-UKRRQHHQSA-N 2 2 345.451 0.671 10 0 ECAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CCN3CCCC3=O)CC2)C1 ZINC000105845967 201059953 /nfs/dbraw/zinc/05/99/53/201059953.db2.gz RTGFHMHMDTVNCE-KRWDZBQOSA-N 2 2 338.496 0.336 10 0 ECAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CCN3CCCC3=O)CC2)C1 ZINC000105845967 201059957 /nfs/dbraw/zinc/05/99/57/201059957.db2.gz RTGFHMHMDTVNCE-KRWDZBQOSA-N 2 2 338.496 0.336 10 0 ECAELP CC(C)CNC(=O)C[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000105845558 201061385 /nfs/dbraw/zinc/06/13/85/201061385.db2.gz WYKTXYMTMLGYKW-QGZVFWFLSA-N 2 2 340.512 0.485 10 0 ECAELP CC(C)CNC(=O)C[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000105845558 201061388 /nfs/dbraw/zinc/06/13/88/201061388.db2.gz WYKTXYMTMLGYKW-QGZVFWFLSA-N 2 2 340.512 0.485 10 0 ECAELP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@H]2C[N@H+](C)CCO2)o1 ZINC000105281129 204139364 /nfs/dbraw/zinc/13/93/64/204139364.db2.gz XSARVWOOYCYCDY-INIZCTEOSA-N 2 2 338.452 0.992 10 0 ECAELP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@H]2C[N@@H+](C)CCO2)o1 ZINC000105281129 204139367 /nfs/dbraw/zinc/13/93/67/204139367.db2.gz XSARVWOOYCYCDY-INIZCTEOSA-N 2 2 338.452 0.992 10 0 ECAELP CCc1[nH+]c(N)nc(N2CCCO[C@H](C[NH+]3CCOCC3)C2)c1C ZINC000095366773 218298706 /nfs/dbraw/zinc/29/87/06/218298706.db2.gz KDIWIKBGIYGADG-CQSZACIVSA-N 2 2 335.452 0.857 10 0 ECAELP Cn1c[nH+]cc1CN1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000177058221 207289764 /nfs/dbraw/zinc/28/97/64/207289764.db2.gz PQCLPYVLAMJXBT-QGZVFWFLSA-N 2 2 330.432 0.978 10 0 ECAELP C[C@H](O)C[N@@H+]1CCN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)C[C@H]1C ZINC000246109654 165123404 /nfs/dbraw/zinc/12/34/04/165123404.db2.gz IBTUFDZIZAVFPG-ILXRZTDVSA-N 2 2 335.452 0.329 10 0 ECAELP C[C@H](O)C[N@H+]1CCN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)C[C@H]1C ZINC000246109654 165123407 /nfs/dbraw/zinc/12/34/07/165123407.db2.gz IBTUFDZIZAVFPG-ILXRZTDVSA-N 2 2 335.452 0.329 10 0 ECAELP C[C@H](NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)C(=O)N(C)C ZINC000249805001 165204344 /nfs/dbraw/zinc/20/43/44/165204344.db2.gz BBPVAIDXZPXSBW-KBPBESRZSA-N 2 2 333.436 0.408 10 0 ECAELP C[C@H](NC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)C(=O)N(C)C ZINC000249805001 165204346 /nfs/dbraw/zinc/20/43/46/165204346.db2.gz BBPVAIDXZPXSBW-KBPBESRZSA-N 2 2 333.436 0.408 10 0 ECAELP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000261597733 165212400 /nfs/dbraw/zinc/21/24/00/165212400.db2.gz AHUYERQXWIEATP-AFIMGQEJSA-N 2 2 337.464 0.452 10 0 ECAELP C[C@@H]1CN(c2ccc(CNC(=O)C3([NH3+])CCOCC3)c[nH+]2)C[C@@H](C)O1 ZINC000261919605 165261909 /nfs/dbraw/zinc/26/19/09/165261909.db2.gz UUZIBVDJNTVFDV-ZIAGYGMSSA-N 2 2 348.447 0.819 10 0 ECAELP CCOC(=O)c1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000263216957 276303918 /nfs/dbraw/zinc/30/39/18/276303918.db2.gz LAEOXYUEZYWUIU-CJNGLKHVSA-N 2 2 344.415 0.719 10 0 ECAELP Cc1[nH+]c2cc(CNC(=O)C3CC[NH+](CC(N)=O)CC3)ccc2n1C ZINC000091519033 436453193 /nfs/dbraw/zinc/45/31/93/436453193.db2.gz BJTPALYMPAWWFR-UHFFFAOYSA-N 2 2 343.431 0.695 10 0 ECAELP Cn1cc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(=O)n(C)c1=O ZINC000092812844 436476851 /nfs/dbraw/zinc/47/68/51/436476851.db2.gz DKBLHEBKCPTVIB-ZDUSSCGKSA-N 2 2 329.404 0.413 10 0 ECAELP Cn1cc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(=O)n(C)c1=O ZINC000092812844 436476854 /nfs/dbraw/zinc/47/68/54/436476854.db2.gz DKBLHEBKCPTVIB-ZDUSSCGKSA-N 2 2 329.404 0.413 10 0 ECAELP C[NH+]1CCN(Cc2ccc(C(=O)NC[C@H]3C[N@H+](C)CCO3)cc2)CC1 ZINC000171287283 436975324 /nfs/dbraw/zinc/97/53/24/436975324.db2.gz VMOCMXDQDXBVEF-SFHVURJKSA-N 2 2 346.475 0.494 10 0 ECAELP C[NH+]1CCN(Cc2ccc(C(=O)NC[C@H]3C[N@@H+](C)CCO3)cc2)CC1 ZINC000171287283 436975329 /nfs/dbraw/zinc/97/53/29/436975329.db2.gz VMOCMXDQDXBVEF-SFHVURJKSA-N 2 2 346.475 0.494 10 0 ECAELP C[NH+](C)[C@@H]1CCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000170833418 436955867 /nfs/dbraw/zinc/95/58/67/436955867.db2.gz GYLDCEJLYUXVJM-ZBFHGGJFSA-N 2 2 342.509 0.540 10 0 ECAELP Cn1cc[nH+]c1CN(C(=O)[C@H]1CCC[NH2+]C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262001131 302987256 /nfs/dbraw/zinc/98/72/56/302987256.db2.gz PUVHHFPXUAQGAY-LSDHHAIUSA-N 3 2 331.464 0.890 10 0 ECAELP OC[C@@H]1CCCN(c2cc(NC[C@H](O)C[NH+]3CCCCC3)nc[nH+]2)C1 ZINC000174686143 437086010 /nfs/dbraw/zinc/08/60/10/437086010.db2.gz MCWXMVHDARNHNV-CVEARBPZSA-N 2 2 349.479 0.944 10 0 ECAELP 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ECAELP C[NH+](C)C1(CNc2cc(N3CCC[C@@H]3CO)[nH+]cn2)CCOCC1 ZINC000113925389 436638477 /nfs/dbraw/zinc/63/84/77/436638477.db2.gz UWARMJLGPRACQB-CQSZACIVSA-N 2 2 335.452 0.960 10 0 ECAELP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195281633 436685561 /nfs/dbraw/zinc/68/55/61/436685561.db2.gz UYGNIKVFZBURIC-UKRRQHHQSA-N 2 2 333.436 0.679 10 0 ECAELP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195281633 436685564 /nfs/dbraw/zinc/68/55/64/436685564.db2.gz UYGNIKVFZBURIC-UKRRQHHQSA-N 2 2 333.436 0.679 10 0 ECAELP CNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195281633 436685566 /nfs/dbraw/zinc/68/55/66/436685566.db2.gz UYGNIKVFZBURIC-UKRRQHHQSA-N 2 2 333.436 0.679 10 0 ECAELP CNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195281633 436685570 /nfs/dbraw/zinc/68/55/70/436685570.db2.gz UYGNIKVFZBURIC-UKRRQHHQSA-N 2 2 333.436 0.679 10 0 ECAELP C[C@@H](CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)[NH+]1CCOCC1 ZINC000068396215 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342.484 0.195 10 0 ECAELP O=C(NCC1CC[NH+](CCO)CC1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000131745851 534820177 /nfs/dbraw/zinc/82/01/77/534820177.db2.gz FVXMWWRWWJGPBC-MRXNPFEDSA-N 2 2 347.463 0.664 10 0 ECAELP CC[C@H](O)C[NH+]1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC000896210897 586227889 /nfs/dbraw/zinc/22/78/89/586227889.db2.gz OXLNSIVRGZNMQI-BBRMVZONSA-N 2 2 335.452 0.705 10 0 ECAELP CC[C@H](O)C[NH+]1CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC000896210897 586227892 /nfs/dbraw/zinc/22/78/92/586227892.db2.gz OXLNSIVRGZNMQI-BBRMVZONSA-N 2 2 335.452 0.705 10 0 ECAELP CCn1cc(O[C@@H]2COC[C@@H]2[NH2+]Cc2c[nH+]c(N(C)C)n2C)cn1 ZINC000818230584 587415479 /nfs/dbraw/zinc/41/54/79/587415479.db2.gz HKTHCMAUZJPHRC-LSDHHAIUSA-N 2 2 334.424 0.639 10 0 ECAELP C[NH+](C)[C@@H]1CN(Cc2cc3c(c[nH+]2)OCCO3)C[C@@H]1n1ccnn1 ZINC000877656002 590476604 /nfs/dbraw/zinc/47/66/04/590476604.db2.gz SJIAJEBDWMVAON-KGLIPLIRSA-N 2 2 330.392 0.431 10 0 ECAELP 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/nfs/dbraw/zinc/08/96/58/437089658.db2.gz ATLGPURMRAWGDI-MRXNPFEDSA-N 2 2 347.463 0.122 10 0 ECAELP C[NH+](C)Cc1ccc(N2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)nc1 ZINC000174863054 437089662 /nfs/dbraw/zinc/08/96/62/437089662.db2.gz ATLGPURMRAWGDI-MRXNPFEDSA-N 2 2 347.463 0.122 10 0 ECAELP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000179295021 437257051 /nfs/dbraw/zinc/25/70/51/437257051.db2.gz XIKQDPYNVPENDL-QGZVFWFLSA-N 3 2 337.512 0.892 10 0 ECAELP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC000179295021 437257054 /nfs/dbraw/zinc/25/70/54/437257054.db2.gz XIKQDPYNVPENDL-QGZVFWFLSA-N 3 2 337.512 0.892 10 0 ECAELP CC[C@H](O)C[NH+]1CCN(C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000184858117 437416818 /nfs/dbraw/zinc/41/68/18/437416818.db2.gz UEAFRFVYHDLDPK-HNNXBMFYSA-N 2 2 335.452 0.982 10 0 ECAELP CC[C@@H]1CN(C(=O)NC[C@@H](C)[NH+]2CCOCC2)CC[N@@H+]1C[C@H](C)O ZINC000248462645 545943152 /nfs/dbraw/zinc/94/31/52/545943152.db2.gz WMNDJRDJTBZEDE-OWCLPIDISA-N 2 2 342.484 0.194 10 0 ECAELP CC[C@@H]1CN(C(=O)NC[C@@H](C)[NH+]2CCOCC2)CC[N@H+]1C[C@H](C)O ZINC000248462645 545943153 /nfs/dbraw/zinc/94/31/53/545943153.db2.gz WMNDJRDJTBZEDE-OWCLPIDISA-N 2 2 342.484 0.194 10 0 ECAELP O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000262356535 545948101 /nfs/dbraw/zinc/94/81/01/545948101.db2.gz UUOZEZRTQMLNNW-ARFHVFGLSA-N 2 2 335.473 0.473 10 0 ECAELP COC[C@]1(C)NC(=O)N(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)C1=O ZINC000246129598 612763025 /nfs/dbraw/zinc/76/30/25/612763025.db2.gz FGCQSWJACOYKCU-BBRMVZONSA-N 2 2 335.408 0.570 10 0 ECAELP COC[C@]1(C)NC(=O)N(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)C1=O ZINC000246129598 612763030 /nfs/dbraw/zinc/76/30/30/612763030.db2.gz FGCQSWJACOYKCU-BBRMVZONSA-N 2 2 335.408 0.570 10 0 ECAELP C[N@@H+]1CCO[C@@H](CNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000174393068 529783028 /nfs/dbraw/zinc/78/30/28/529783028.db2.gz KMOUCZJGEUYADK-SFHVURJKSA-N 2 2 346.475 0.646 10 0 ECAELP C[N@H+]1CCO[C@@H](CNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000174393068 529783030 /nfs/dbraw/zinc/78/30/30/529783030.db2.gz KMOUCZJGEUYADK-SFHVURJKSA-N 2 2 346.475 0.646 10 0 ECAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)NCC(=O)N1CCCC1 ZINC000178297254 232128923 /nfs/dbraw/zinc/12/89/23/232128923.db2.gz VDYQRBDGZOTAPD-OAHLLOKOSA-N 2 2 333.436 0.395 10 0 ECAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)NCC(=O)N1CCCC1 ZINC000178297254 232128929 /nfs/dbraw/zinc/12/89/29/232128929.db2.gz VDYQRBDGZOTAPD-OAHLLOKOSA-N 2 2 333.436 0.395 10 0 ECAELP COCC[N@@H+]1CCN(C(=O)NCCCC[NH+]2CCOCC2)C[C@@H]1C ZINC000117478665 221068631 /nfs/dbraw/zinc/06/86/31/221068631.db2.gz IFUWLINLOJDFJO-INIZCTEOSA-N 2 2 342.484 0.461 10 0 ECAELP COCC[N@H+]1CCN(C(=O)NCCCC[NH+]2CCOCC2)C[C@@H]1C ZINC000117478665 221068635 /nfs/dbraw/zinc/06/86/35/221068635.db2.gz IFUWLINLOJDFJO-INIZCTEOSA-N 2 2 342.484 0.461 10 0 ECAELP CC(=O)NC1CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000189961842 165018257 /nfs/dbraw/zinc/01/82/57/165018257.db2.gz JAIRBHMFDPOLOS-UHFFFAOYSA-N 2 2 337.468 0.075 10 0 ECAELP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195515818 165083242 /nfs/dbraw/zinc/08/32/42/165083242.db2.gz ZOGJTWKJTFFZGL-HNNXBMFYSA-N 2 2 347.463 0.800 10 0 ECAELP CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195515818 165083247 /nfs/dbraw/zinc/08/32/47/165083247.db2.gz ZOGJTWKJTFFZGL-HNNXBMFYSA-N 2 2 347.463 0.800 10 0 ECAELP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000246794455 165142909 /nfs/dbraw/zinc/14/29/09/165142909.db2.gz AQNNMWXEARTGEW-SJORKVTESA-N 2 2 343.475 0.899 10 0 ECAELP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000246794455 165142914 /nfs/dbraw/zinc/14/29/14/165142914.db2.gz AQNNMWXEARTGEW-SJORKVTESA-N 2 2 343.475 0.899 10 0 ECAELP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000261597735 165212116 /nfs/dbraw/zinc/21/21/16/165212116.db2.gz AHUYERQXWIEATP-FSZRXZPDSA-N 2 2 337.464 0.452 10 0 ECAELP [NH3+]C[C@H]1CCC[C@H]1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000261829028 165249744 /nfs/dbraw/zinc/24/97/44/165249744.db2.gz ORRXWNILFLJCPF-HUUCEWRRSA-N 2 2 332.452 0.090 10 0 ECAELP [NH3+]C[C@H]1CCC[C@H]1C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000261848750 165251044 /nfs/dbraw/zinc/25/10/44/165251044.db2.gz VQIKMLIPMHGROC-HZPDHXFCSA-N 2 2 336.480 0.422 10 0 ECAELP Cc1csc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)n1 ZINC000261937516 165266242 /nfs/dbraw/zinc/26/62/42/165266242.db2.gz KQNZHRAMSZYMNA-LLVKDONJSA-N 2 2 325.438 0.177 10 0 ECAELP Cc1csc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)n1 ZINC000261937516 165266250 /nfs/dbraw/zinc/26/62/50/165266250.db2.gz KQNZHRAMSZYMNA-LLVKDONJSA-N 2 2 325.438 0.177 10 0 ECAELP O=C(NCc1cc[nH+]c(N2CCOCC2)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171900432 227348180 /nfs/dbraw/zinc/34/81/80/227348180.db2.gz UJMLOILQORGDEW-MRXNPFEDSA-N 2 2 345.447 0.908 10 0 ECAELP O=C(NCc1cc[nH+]c(N2CCOCC2)c1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171900432 227348186 /nfs/dbraw/zinc/34/81/86/227348186.db2.gz UJMLOILQORGDEW-MRXNPFEDSA-N 2 2 345.447 0.908 10 0 ECAELP C[C@@H](CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)[NH+]1CCOCC1 ZINC000173826901 263149431 /nfs/dbraw/zinc/14/94/31/263149431.db2.gz NJTGTLANDNREJE-HOTGVXAUSA-N 2 2 342.484 0.459 10 0 ECAELP C[NH+](C)C[C@H]1CC[NH+](CCOCC[N@H+]2CC[C@H](C[NH+](C)C)C2)C1 ZINC000178701572 263154947 /nfs/dbraw/zinc/15/49/47/263154947.db2.gz ZXYOQCLXPZVCFW-QZTJIDSGSA-N 4 2 326.529 0.770 10 0 ECAELP C[NH+](C)C[C@H]1CC[NH+](CCOCC[N@@H+]2CC[C@H](C[NH+](C)C)C2)C1 ZINC000178701572 263154948 /nfs/dbraw/zinc/15/49/48/263154948.db2.gz ZXYOQCLXPZVCFW-QZTJIDSGSA-N 4 2 326.529 0.770 10 0 ECAELP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)cn1 ZINC000104788293 436563832 /nfs/dbraw/zinc/56/38/32/436563832.db2.gz GREWFLUDVRGGHD-OAHLLOKOSA-N 2 2 344.419 0.706 10 0 ECAELP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cn1 ZINC000104788293 436563837 /nfs/dbraw/zinc/56/38/37/436563837.db2.gz GREWFLUDVRGGHD-OAHLLOKOSA-N 2 2 344.419 0.706 10 0 ECAELP C[NH+](C)C[C@@H]1CN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CCO1 ZINC000108951668 436622367 /nfs/dbraw/zinc/62/23/67/436622367.db2.gz NMKBJBPUKNEKKZ-LSDHHAIUSA-N 2 2 335.452 0.452 10 0 ECAELP C[NH+](C)C[C@@H]1CN(c2cc(N3CCC[C@H](CO)C3)nc[nH+]2)CCO1 ZINC000108951668 436622369 /nfs/dbraw/zinc/62/23/69/436622369.db2.gz NMKBJBPUKNEKKZ-LSDHHAIUSA-N 2 2 335.452 0.452 10 0 ECAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CC(=O)N3CCCC3)CC2)C1 ZINC000105915296 436587234 /nfs/dbraw/zinc/58/72/34/436587234.db2.gz BUUKUIDJMFTIIZ-QGZVFWFLSA-N 2 2 338.496 0.336 10 0 ECAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CC(=O)N3CCCC3)CC2)C1 ZINC000105915296 436587236 /nfs/dbraw/zinc/58/72/36/436587236.db2.gz BUUKUIDJMFTIIZ-QGZVFWFLSA-N 2 2 338.496 0.336 10 0 ECAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@H](O)C(F)(F)F)CC2)C1 ZINC000158236559 436840954 /nfs/dbraw/zinc/84/09/54/436840954.db2.gz PTLMUSOQJXZIAM-KBPBESRZSA-N 2 2 339.402 0.636 10 0 ECAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@H](O)C(F)(F)F)CC2)C1 ZINC000158236559 436840959 /nfs/dbraw/zinc/84/09/59/436840959.db2.gz PTLMUSOQJXZIAM-KBPBESRZSA-N 2 2 339.402 0.636 10 0 ECAELP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](O)COC(C)(C)C)CC1 ZINC000162285433 436903438 /nfs/dbraw/zinc/90/34/38/436903438.db2.gz YNCATVYFEABEOJ-GJZGRUSLSA-N 2 2 327.469 0.401 10 0 ECAELP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](O)COC(C)(C)C)CC1 ZINC000162285433 436903441 /nfs/dbraw/zinc/90/34/41/436903441.db2.gz YNCATVYFEABEOJ-GJZGRUSLSA-N 2 2 327.469 0.401 10 0 ECAELP C[NH+]1CCN(Cc2ccc(C(=O)NC[C@@H]3C[N@H+](C)CCO3)cc2)CC1 ZINC000171287279 436976813 /nfs/dbraw/zinc/97/68/13/436976813.db2.gz VMOCMXDQDXBVEF-GOSISDBHSA-N 2 2 346.475 0.494 10 0 ECAELP C[NH+]1CCN(Cc2ccc(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)cc2)CC1 ZINC000171287279 436976819 /nfs/dbraw/zinc/97/68/19/436976819.db2.gz VMOCMXDQDXBVEF-GOSISDBHSA-N 2 2 346.475 0.494 10 0 ECAELP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)c(Br)c1O ZINC000263213575 436956321 /nfs/dbraw/zinc/95/63/21/436956321.db2.gz KNSVXQAIPFCVDY-NXEZZACHSA-N 2 2 331.210 0.833 10 0 ECAELP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263235248 436957455 /nfs/dbraw/zinc/95/74/55/436957455.db2.gz NWAVGIGFPYHAQR-UONOGXRCSA-N 2 2 330.423 0.612 10 0 ECAELP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263235248 436957459 /nfs/dbraw/zinc/95/74/59/436957459.db2.gz NWAVGIGFPYHAQR-UONOGXRCSA-N 2 2 330.423 0.612 10 0 ECAELP CC[C@@H](C)NC(=O)C[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000171574871 436981863 /nfs/dbraw/zinc/98/18/63/436981863.db2.gz BTYZSWQNUNJGEF-SJORKVTESA-N 2 2 340.512 0.628 10 0 ECAELP CC[C@@H](C)NC(=O)C[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000171574871 436981865 /nfs/dbraw/zinc/98/18/65/436981865.db2.gz BTYZSWQNUNJGEF-SJORKVTESA-N 2 2 340.512 0.628 10 0 ECAELP C[C@@H]1C[NH+](CCCNC(=O)NC[C@@H]2C[N@H+](C)CCO2)C[C@@H](C)O1 ZINC000170921106 436961034 /nfs/dbraw/zinc/96/10/34/436961034.db2.gz DAGLKHUDLZQCCM-RBSFLKMASA-N 2 2 328.457 0.116 10 0 ECAELP C[C@@H]1C[NH+](CCCNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)C[C@@H](C)O1 ZINC000170921106 436961036 /nfs/dbraw/zinc/96/10/36/436961036.db2.gz DAGLKHUDLZQCCM-RBSFLKMASA-N 2 2 328.457 0.116 10 0 ECAELP CC(=O)N1CC[NH+](CCNc2cncc(-n3cc[nH+]c3C)n2)CC1 ZINC000301839125 437132470 /nfs/dbraw/zinc/13/24/70/437132470.db2.gz ZKHCZJUZEGSHOU-UHFFFAOYSA-N 2 2 329.408 0.547 10 0 ECAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178630691 437219852 /nfs/dbraw/zinc/21/98/52/437219852.db2.gz ZLNJTEHOOVNMDA-IAGOWNOFSA-N 2 2 343.475 0.899 10 0 ECAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000178630691 437219855 /nfs/dbraw/zinc/21/98/55/437219855.db2.gz ZLNJTEHOOVNMDA-IAGOWNOFSA-N 2 2 343.475 0.899 10 0 ECAELP CC[C@@H]1CN(C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC[N@@H+]1C[C@@H](C)O ZINC000184837720 437414079 /nfs/dbraw/zinc/41/40/79/437414079.db2.gz IVGVWNOXKCCSJG-ARFHVFGLSA-N 2 2 342.484 0.194 10 0 ECAELP CC[C@@H]1CN(C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC[N@H+]1C[C@@H](C)O ZINC000184837720 437414082 /nfs/dbraw/zinc/41/40/82/437414082.db2.gz IVGVWNOXKCCSJG-ARFHVFGLSA-N 2 2 342.484 0.194 10 0 ECAELP CC(C)N1CC[NH+](CCC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)CC1 ZINC000900842818 586669335 /nfs/dbraw/zinc/66/93/35/586669335.db2.gz AKRVLCYGHKWIKE-DLBZAZTESA-N 2 2 340.512 0.316 10 0 ECAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CN1C(=O)C(=O)N(C(C)C)C1=O ZINC000176081325 608771971 /nfs/dbraw/zinc/77/19/71/608771971.db2.gz TZFZGPKULVCOFV-CYBMUJFWSA-N 2 2 333.392 0.813 10 0 ECAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CN1C(=O)C(=O)N(C(C)C)C1=O ZINC000176081325 608771974 /nfs/dbraw/zinc/77/19/74/608771974.db2.gz TZFZGPKULVCOFV-CYBMUJFWSA-N 2 2 333.392 0.813 10 0 ECAELP CC(C)n1c[nH+]cc1Cn1ncc(N2CCO[C@H](CC[NH3+])C2)cc1=O ZINC000072137141 608969136 /nfs/dbraw/zinc/96/91/36/608969136.db2.gz VPLPLOZZBVGJQW-MRXNPFEDSA-N 2 2 346.435 0.623 10 0 ECAELP C[N@H+](CCCn1cc[nH+]c1)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000181056340 529898963 /nfs/dbraw/zinc/89/89/63/529898963.db2.gz YDBREASRADXGEK-AWEZNQCLSA-N 2 2 342.399 0.862 10 0 ECAELP C[N@@H+](CCCn1cc[nH+]c1)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000181056340 529898964 /nfs/dbraw/zinc/89/89/64/529898964.db2.gz YDBREASRADXGEK-AWEZNQCLSA-N 2 2 342.399 0.862 10 0 ECAELP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C2)[nH+]1 ZINC000195516323 165085458 /nfs/dbraw/zinc/08/54/58/165085458.db2.gz SYWZSIISMVNLFH-LSDHHAIUSA-N 2 2 347.463 0.717 10 0 ECAELP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C2)[nH+]1 ZINC000195516323 165085462 /nfs/dbraw/zinc/08/54/62/165085462.db2.gz SYWZSIISMVNLFH-LSDHHAIUSA-N 2 2 347.463 0.717 10 0 ECAELP OC[C@H]1CCCN(c2cc(NC[C@@H](O)C[NH+]3CCCCC3)nc[nH+]2)C1 ZINC000246165015 165124589 /nfs/dbraw/zinc/12/45/89/165124589.db2.gz MCWXMVHDARNHNV-JKSUJKDBSA-N 2 2 349.479 0.944 10 0 ECAELP OC[C@H]1CCCN(c2cc(NC[C@@H](O)C[NH+]3CCCCC3)[nH+]cn2)C1 ZINC000246165015 165124591 /nfs/dbraw/zinc/12/45/91/165124591.db2.gz MCWXMVHDARNHNV-JKSUJKDBSA-N 2 2 349.479 0.944 10 0 ECAELP O=C(NC[C@@H](O)C[NH+]1CCOCC1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000249758531 165203790 /nfs/dbraw/zinc/20/37/90/165203790.db2.gz FKVDZBSVBHMWJP-MSOLQXFVSA-N 2 2 347.459 0.460 10 0 ECAELP O=C(NC[C@@H](O)C[NH+]1CCOCC1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000249758531 165203794 /nfs/dbraw/zinc/20/37/94/165203794.db2.gz FKVDZBSVBHMWJP-MSOLQXFVSA-N 2 2 347.459 0.460 10 0 ECAELP [NH3+]CC1(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CCOCC1 ZINC000262310574 165327844 /nfs/dbraw/zinc/32/78/44/165327844.db2.gz QKDHFDAHIDGOMM-INIZCTEOSA-N 2 2 343.493 0.066 10 0 ECAELP Cc1ccn2cc(CNC(=O)[C@H]3C[NH2+]C[C@@H]3c3cnn(C)c3)[nH+]c2c1 ZINC000262407510 165346187 /nfs/dbraw/zinc/34/61/87/165346187.db2.gz YZCBTOMLVJHISU-CVEARBPZSA-N 2 2 338.415 0.996 10 0 ECAELP CCCCNC(=O)C[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000105845548 436581176 /nfs/dbraw/zinc/58/11/76/436581176.db2.gz HQGIAJBTPZTKTF-KRWDZBQOSA-N 2 2 340.512 0.630 10 0 ECAELP CCCCNC(=O)C[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000105845548 436581179 /nfs/dbraw/zinc/58/11/79/436581179.db2.gz HQGIAJBTPZTKTF-KRWDZBQOSA-N 2 2 340.512 0.630 10 0 ECAELP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000114562425 436642485 /nfs/dbraw/zinc/64/24/85/436642485.db2.gz QNRKPHYUTNQWSV-QGZVFWFLSA-N 2 2 335.448 0.270 10 0 ECAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CC[C@@H]3CCOC3=O)CC2)C1 ZINC000120473765 436688429 /nfs/dbraw/zinc/68/84/29/436688429.db2.gz XXLQNINFUSCLNH-IAGOWNOFSA-N 2 2 339.480 0.666 10 0 ECAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CC[C@@H]3CCOC3=O)CC2)C1 ZINC000120473765 436688434 /nfs/dbraw/zinc/68/84/34/436688434.db2.gz XXLQNINFUSCLNH-IAGOWNOFSA-N 2 2 339.480 0.666 10 0 ECAELP Cc1nn(C)cc1C[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000121025708 436704931 /nfs/dbraw/zinc/70/49/31/436704931.db2.gz VPWCZARJROGLDW-GOSISDBHSA-N 2 2 335.496 0.955 10 0 ECAELP Cc1nn(C)cc1C[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000121025708 436704935 /nfs/dbraw/zinc/70/49/35/436704935.db2.gz VPWCZARJROGLDW-GOSISDBHSA-N 2 2 335.496 0.955 10 0 ECAELP Cn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3CC(F)(F)C[NH2+]3)CC2)cn1 ZINC000263153320 436952903 /nfs/dbraw/zinc/95/29/03/436952903.db2.gz DFIAAHQAFUENSA-ZDUSSCGKSA-N 2 2 327.379 0.452 10 0 ECAELP Cn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3CC(F)(F)C[NH2+]3)CC2)cn1 ZINC000263153320 436952904 /nfs/dbraw/zinc/95/29/04/436952904.db2.gz DFIAAHQAFUENSA-ZDUSSCGKSA-N 2 2 327.379 0.452 10 0 ECAELP COC(=O)[C@H]1C[C@@H]1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000172753720 437027788 /nfs/dbraw/zinc/02/77/88/437027788.db2.gz STRRSOBVUHWDLM-GJZGRUSLSA-N 2 2 337.464 0.862 10 0 ECAELP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)cn1 ZINC000174655590 437084877 /nfs/dbraw/zinc/08/48/77/437084877.db2.gz WHUYALBRNVPGMF-KRWDZBQOSA-N 2 2 349.479 0.658 10 0 ECAELP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)cn1 ZINC000174655590 437084882 /nfs/dbraw/zinc/08/48/82/437084882.db2.gz WHUYALBRNVPGMF-KRWDZBQOSA-N 2 2 349.479 0.658 10 0 ECAELP CCCn1cc(C[NH+]2CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)cn1 ZINC000174655590 437084887 /nfs/dbraw/zinc/08/48/87/437084887.db2.gz WHUYALBRNVPGMF-KRWDZBQOSA-N 2 2 349.479 0.658 10 0 ECAELP CCCn1cc(C[NH+]2CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)cn1 ZINC000174655590 437084893 /nfs/dbraw/zinc/08/48/93/437084893.db2.gz WHUYALBRNVPGMF-KRWDZBQOSA-N 2 2 349.479 0.658 10 0 ECAELP C[NH+](C)C[C@@H]1CN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CCO1 ZINC000301202843 437114361 /nfs/dbraw/zinc/11/43/61/437114361.db2.gz NMKBJBPUKNEKKZ-HUUCEWRRSA-N 2 2 335.452 0.452 10 0 ECAELP C[NH+](C)C[C@@H]1CN(c2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)CCO1 ZINC000301202843 437114366 /nfs/dbraw/zinc/11/43/66/437114366.db2.gz NMKBJBPUKNEKKZ-HUUCEWRRSA-N 2 2 335.452 0.452 10 0 ECAELP CO[C@@H]1C[NH2+][C@H](C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000324443152 437226930 /nfs/dbraw/zinc/22/69/30/437226930.db2.gz CCOHLTUXVDRFJI-IRXDYDNUSA-N 2 2 333.432 0.512 10 0 ECAELP CCS(=O)(=O)C[C@H](C)[NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000183216685 437378829 /nfs/dbraw/zinc/37/88/29/437378829.db2.gz DBSBUMNGVMQHNC-STQMWFEESA-N 2 2 341.481 0.900 10 0 ECAELP CNS(=O)(=O)CCC[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000648048924 440221681 /nfs/dbraw/zinc/22/16/81/440221681.db2.gz IQDRYWVTJRREGG-MRXNPFEDSA-N 2 2 340.493 0.965 10 0 ECAELP CNS(=O)(=O)CCC[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000648048924 440221687 /nfs/dbraw/zinc/22/16/87/440221687.db2.gz IQDRYWVTJRREGG-MRXNPFEDSA-N 2 2 340.493 0.965 10 0 ECAELP CCC[C@@H](C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)[NH+](C)C ZINC000162442212 320512178 /nfs/dbraw/zinc/51/21/78/320512178.db2.gz VTFBNZTXOCWLEE-HOTGVXAUSA-N 2 2 338.496 0.872 10 0 ECAELP CN(C)[C@H](C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)c1c[nH+]cn1C ZINC000329187015 320758659 /nfs/dbraw/zinc/75/86/59/320758659.db2.gz GSCFFZRDLOUAJW-WBVHZDCISA-N 2 2 349.479 0.594 10 0 ECAELP CC[NH+](CC)[C@@H](C(=O)NC[C@@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC000132738028 528226621 /nfs/dbraw/zinc/22/66/21/528226621.db2.gz AKCJYUYQIDMVJL-QZTJIDSGSA-N 2 2 349.475 0.879 10 0 ECAELP Cc1cc(N2CCC[C@H](NC(=O)[C@]3(C)C[C@H](O)C[N@H+]3C)C2)nc(C)[nH+]1 ZINC000900636166 586650140 /nfs/dbraw/zinc/65/01/40/586650140.db2.gz ISRWSUZIDKWITN-MPGHIAIKSA-N 2 2 347.463 0.634 10 0 ECAELP Cc1cc(N2CCC[C@H](NC(=O)[C@]3(C)C[C@H](O)C[N@@H+]3C)C2)nc(C)[nH+]1 ZINC000900636166 586650142 /nfs/dbraw/zinc/65/01/42/586650142.db2.gz ISRWSUZIDKWITN-MPGHIAIKSA-N 2 2 347.463 0.634 10 0 ECAELP CCOC(=O)CN(C)C(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000111212930 220109859 /nfs/dbraw/zinc/10/98/59/220109859.db2.gz HIBPDURSKQMVPW-CQSZACIVSA-N 2 2 334.420 0.837 10 0 ECAELP CCOC(=O)CN(C)C(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000111212930 220109862 /nfs/dbraw/zinc/10/98/62/220109862.db2.gz HIBPDURSKQMVPW-CQSZACIVSA-N 2 2 334.420 0.837 10 0 ECAELP O=C(C[C@@H]1CSCC[NH2+]1)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000261772162 165241770 /nfs/dbraw/zinc/24/17/70/165241770.db2.gz RAQOJGWDOPWXRC-CQSZACIVSA-N 2 2 336.461 0.630 10 0 ECAELP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2noc(C[NH3+])n2)CC1 ZINC000262138395 165298458 /nfs/dbraw/zinc/29/84/58/165298458.db2.gz DSULHXABZLWOLP-CYBMUJFWSA-N 2 2 336.440 0.047 10 0 ECAELP COC[C@H]([NH3+])C(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000262355472 165336978 /nfs/dbraw/zinc/33/69/78/165336978.db2.gz JNFGMTULSAINJC-AWEZNQCLSA-N 2 2 341.839 0.837 10 0 ECAELP CC(C)OCC[NH+]1CCN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)CC1 ZINC000173919661 263149399 /nfs/dbraw/zinc/14/93/99/263149399.db2.gz MZNCHHFRYHNTLB-INIZCTEOSA-N 2 2 349.479 0.985 10 0 ECAELP C[C@H](CNC(=O)NC1CCN(CC[NH+](C)C)CC1)[NH+]1CCOCC1 ZINC000079167663 436291615 /nfs/dbraw/zinc/29/16/15/436291615.db2.gz HZTQYFAUPAYVTM-OAHLLOKOSA-N 2 2 341.500 0.032 10 0 ECAELP C[N@@H+]1CCO[C@@H](CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000104780814 436564013 /nfs/dbraw/zinc/56/40/13/436564013.db2.gz SRTHXHAYJLQLNA-HNNXBMFYSA-N 2 2 333.436 0.812 10 0 ECAELP C[N@H+]1CCO[C@@H](CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000104780814 436564017 /nfs/dbraw/zinc/56/40/17/436564017.db2.gz SRTHXHAYJLQLNA-HNNXBMFYSA-N 2 2 333.436 0.812 10 0 ECAELP C[N@@H+]1CCN(c2ncc(I)cn2)[C@@H](C[NH3+])C1 ZINC000227019502 436714794 /nfs/dbraw/zinc/71/47/94/436714794.db2.gz YZJPNWUFHJUMDT-VIFPVBQESA-N 2 2 333.177 0.160 10 0 ECAELP C[N@H+]1CCN(c2ncc(I)cn2)[C@@H](C[NH3+])C1 ZINC000227019502 436714795 /nfs/dbraw/zinc/71/47/95/436714795.db2.gz YZJPNWUFHJUMDT-VIFPVBQESA-N 2 2 333.177 0.160 10 0 ECAELP Cc1nc(C)n(C[C@@H]2CCC[N@@H+](CC(=O)N3CC[NH+](C)CC3)C2)n1 ZINC000121017856 436704788 /nfs/dbraw/zinc/70/47/88/436704788.db2.gz IKUHESHWWYIABC-MRXNPFEDSA-N 2 2 334.468 0.381 10 0 ECAELP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@@H](N4CCOCC4)C3)cn2)CC1 ZINC000121038375 436707206 /nfs/dbraw/zinc/70/72/06/436707206.db2.gz IQNQCCOGHUCWQP-QGZVFWFLSA-N 2 2 346.479 0.135 10 0 ECAELP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@@H](N4CCOCC4)C3)cn2)CC1 ZINC000121038375 436707211 /nfs/dbraw/zinc/70/72/11/436707211.db2.gz IQNQCCOGHUCWQP-QGZVFWFLSA-N 2 2 346.479 0.135 10 0 ECAELP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000126111349 436782806 /nfs/dbraw/zinc/78/28/06/436782806.db2.gz FOPRYQOPPABBCK-HZPDHXFCSA-N 2 2 326.485 0.984 10 0 ECAELP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000126111349 436782809 /nfs/dbraw/zinc/78/28/09/436782809.db2.gz FOPRYQOPPABBCK-HZPDHXFCSA-N 2 2 326.485 0.984 10 0 ECAELP CC(C)C[NH+]1CCC[C@H](CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000126111349 436782810 /nfs/dbraw/zinc/78/28/10/436782810.db2.gz FOPRYQOPPABBCK-HZPDHXFCSA-N 2 2 326.485 0.984 10 0 ECAELP CC(C)C[NH+]1CCC[C@H](CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000126111349 436782813 /nfs/dbraw/zinc/78/28/13/436782813.db2.gz FOPRYQOPPABBCK-HZPDHXFCSA-N 2 2 326.485 0.984 10 0 ECAELP CC(C)(CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[NH+]1CCOCC1 ZINC000173765304 437062569 /nfs/dbraw/zinc/06/25/69/437062569.db2.gz DYYNUPCQMPIOSJ-HNNXBMFYSA-N 2 2 340.468 0.213 10 0 ECAELP CC1(C)COCC[N@@H+]1CCNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173892350 437069101 /nfs/dbraw/zinc/06/91/01/437069101.db2.gz XFKUITDTNHSCPG-HNNXBMFYSA-N 2 2 340.468 0.213 10 0 ECAELP CC1(C)COCC[N@H+]1CCNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173892350 437069104 /nfs/dbraw/zinc/06/91/04/437069104.db2.gz XFKUITDTNHSCPG-HNNXBMFYSA-N 2 2 340.468 0.213 10 0 ECAELP C[C@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000173969060 437070028 /nfs/dbraw/zinc/07/00/28/437070028.db2.gz UQNTUFYCUHGJBA-IRXDYDNUSA-N 2 2 339.480 0.668 10 0 ECAELP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000176560799 437149108 /nfs/dbraw/zinc/14/91/08/437149108.db2.gz WOGUKEFDDOCBSG-ROUUACIJSA-N 2 2 349.475 0.311 10 0 ECAELP CC[C@H](O)C[NH+]1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000181695299 437327587 /nfs/dbraw/zinc/32/75/87/437327587.db2.gz DFAHRRXTVSEUPF-HNNXBMFYSA-N 2 2 342.484 0.195 10 0 ECAELP CC[C@H](O)C[NH+]1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000181695299 437327589 /nfs/dbraw/zinc/32/75/89/437327589.db2.gz DFAHRRXTVSEUPF-HNNXBMFYSA-N 2 2 342.484 0.195 10 0 ECAELP CCCCOC[C@@H](O)C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000193377739 437708451 /nfs/dbraw/zinc/70/84/51/437708451.db2.gz GEXJSLYEYFVMRK-INIZCTEOSA-N 2 2 327.469 0.404 10 0 ECAELP CCCCOC[C@H](O)C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000193377718 437709244 /nfs/dbraw/zinc/70/92/44/437709244.db2.gz GEXJSLYEYFVMRK-MRXNPFEDSA-N 2 2 327.469 0.404 10 0 ECAELP COc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2C[C@H](OC)C[NH2+]2)CC1 ZINC000583618116 439489745 /nfs/dbraw/zinc/48/97/45/439489745.db2.gz DTOCJLYLXUFEQD-HOTGVXAUSA-N 2 2 333.432 0.716 10 0 ECAELP COC[C@@]1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCC[NH2+]1 ZINC000649277855 440430231 /nfs/dbraw/zinc/43/02/31/440430231.db2.gz WXVWTUKCHLHMLA-PKOBYXMFSA-N 2 2 347.459 0.772 10 0 ECAELP COC[C@@]1(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCC[NH2+]1 ZINC000649277855 440430238 /nfs/dbraw/zinc/43/02/38/440430238.db2.gz WXVWTUKCHLHMLA-PKOBYXMFSA-N 2 2 347.459 0.772 10 0 ECAELP Cc1cc(N2CCC[C@H](NC(=O)[C@@]3(C)C[C@H](O)C[N@H+]3C)C2)nc(C)[nH+]1 ZINC000900636167 586650244 /nfs/dbraw/zinc/65/02/44/586650244.db2.gz ISRWSUZIDKWITN-RLFYNMQTSA-N 2 2 347.463 0.634 10 0 ECAELP Cc1cc(N2CCC[C@H](NC(=O)[C@@]3(C)C[C@H](O)C[N@@H+]3C)C2)nc(C)[nH+]1 ZINC000900636167 586650245 /nfs/dbraw/zinc/65/02/45/586650245.db2.gz ISRWSUZIDKWITN-RLFYNMQTSA-N 2 2 347.463 0.634 10 0 ECAELP CC[N@H+](CC(=O)N[C@@H]1CCC(=O)N(C)[C@H]1c1c[nH+]cn1C)C1CC1 ZINC000886034119 590787775 /nfs/dbraw/zinc/78/77/75/590787775.db2.gz RISRRUGPMVCULW-CXAGYDPISA-N 2 2 333.436 0.683 10 0 ECAELP CC[N@@H+](CC(=O)N[C@@H]1CCC(=O)N(C)[C@H]1c1c[nH+]cn1C)C1CC1 ZINC000886034119 590787778 /nfs/dbraw/zinc/78/77/78/590787778.db2.gz RISRRUGPMVCULW-CXAGYDPISA-N 2 2 333.436 0.683 10 0 ECAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000179542748 529760851 /nfs/dbraw/zinc/76/08/51/529760851.db2.gz VVVSYDPUQYMFHS-CQSZACIVSA-N 2 2 331.420 0.680 10 0 ECAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000179542748 529760852 /nfs/dbraw/zinc/76/08/52/529760852.db2.gz VVVSYDPUQYMFHS-CQSZACIVSA-N 2 2 331.420 0.680 10 0 ECAELP CCOCC[NH+]1CCN(C(=O)NC[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000111816440 220196514 /nfs/dbraw/zinc/19/65/14/220196514.db2.gz UVEZZBVJTCWVBZ-OAHLLOKOSA-N 2 2 328.457 0.071 10 0 ECAELP COCC[N@@H+]1CCN(C(=O)NCCC[NH+]2CCOCC2)C[C@@H]1C ZINC000117468664 221067271 /nfs/dbraw/zinc/06/72/71/221067271.db2.gz KNKSRRJHUSKQJR-HNNXBMFYSA-N 2 2 328.457 0.071 10 0 ECAELP COCC[N@H+]1CCN(C(=O)NCCC[NH+]2CCOCC2)C[C@@H]1C ZINC000117468664 221067273 /nfs/dbraw/zinc/06/72/73/221067273.db2.gz KNKSRRJHUSKQJR-HNNXBMFYSA-N 2 2 328.457 0.071 10 0 ECAELP CC[C@@H]1CN(C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC000117478149 221068330 /nfs/dbraw/zinc/06/83/30/221068330.db2.gz DCCTWEPKKVEYLS-JKSUJKDBSA-N 2 2 342.484 0.459 10 0 ECAELP CC[C@@H]1CN(C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC000117478149 221068331 /nfs/dbraw/zinc/06/83/31/221068331.db2.gz DCCTWEPKKVEYLS-JKSUJKDBSA-N 2 2 342.484 0.459 10 0 ECAELP C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000118115747 221120871 /nfs/dbraw/zinc/12/08/71/221120871.db2.gz ZBJHOVYUISNDSQ-OAHLLOKOSA-N 2 2 343.387 0.258 10 0 ECAELP C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000118115747 221120872 /nfs/dbraw/zinc/12/08/72/221120872.db2.gz ZBJHOVYUISNDSQ-OAHLLOKOSA-N 2 2 343.387 0.258 10 0 ECAELP CN(C[C@H]1C[N@H+](CCCn2cc[nH+]c2)CCO1)c1nccn(C)c1=O ZINC000328654931 258018459 /nfs/dbraw/zinc/01/84/59/258018459.db2.gz XVTKTIVCHUVHBI-HNNXBMFYSA-N 2 2 346.435 0.204 10 0 ECAELP CN(C[C@H]1C[N@@H+](CCCn2cc[nH+]c2)CCO1)c1nccn(C)c1=O ZINC000328654931 258018460 /nfs/dbraw/zinc/01/84/60/258018460.db2.gz XVTKTIVCHUVHBI-HNNXBMFYSA-N 2 2 346.435 0.204 10 0 ECAELP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000261759851 286746905 /nfs/dbraw/zinc/74/69/05/286746905.db2.gz JQUSLABQJKARII-ARFHVFGLSA-N 2 2 336.480 0.517 10 0 ECAELP C[C@@H](O)C[N@@H+]1CCN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C ZINC000174333557 287088738 /nfs/dbraw/zinc/08/87/38/287088738.db2.gz WDJKRAUMLOGPCO-HZPDHXFCSA-N 2 2 327.469 0.402 10 0 ECAELP C[C@@H](O)C[N@H+]1CCN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C ZINC000174333557 287088742 /nfs/dbraw/zinc/08/87/42/287088742.db2.gz WDJKRAUMLOGPCO-HZPDHXFCSA-N 2 2 327.469 0.402 10 0 ECAELP COCC[N@@H+]1CCN(C(=O)NC[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC000247259174 165159185 /nfs/dbraw/zinc/15/91/85/165159185.db2.gz AWNGFXVFCCNXFT-JKSUJKDBSA-N 2 2 342.484 0.317 10 0 ECAELP COCC[N@H+]1CCN(C(=O)NC[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC000247259174 165159188 /nfs/dbraw/zinc/15/91/88/165159188.db2.gz AWNGFXVFCCNXFT-JKSUJKDBSA-N 2 2 342.484 0.317 10 0 ECAELP CC1(C)C[N@H+](CC(=O)N(CCC(N)=O)Cc2ccccc2)CC[C@H]1[NH3+] ZINC000261641377 165218862 /nfs/dbraw/zinc/21/88/62/165218862.db2.gz GIAIUZXPNQOVMV-MRXNPFEDSA-N 2 2 346.475 0.950 10 0 ECAELP CC1(C)C[N@@H+](CC(=O)N(CCC(N)=O)Cc2ccccc2)CC[C@H]1[NH3+] ZINC000261641377 165218867 /nfs/dbraw/zinc/21/88/67/165218867.db2.gz GIAIUZXPNQOVMV-MRXNPFEDSA-N 2 2 346.475 0.950 10 0 ECAELP O=c1cc(CN2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)nc2sccn21 ZINC000261766578 165239774 /nfs/dbraw/zinc/23/97/74/165239774.db2.gz DJSYVOHTCWFHGH-CQSZACIVSA-N 2 2 347.488 0.873 10 0 ECAELP C[C@@H]1CN(c2ccc(CNC(=O)C3(C[NH3+])CCOCC3)c[nH+]2)CCO1 ZINC000262385160 165342542 /nfs/dbraw/zinc/34/25/42/165342542.db2.gz XJWOJOAJLJSUJH-CQSZACIVSA-N 2 2 348.447 0.678 10 0 ECAELP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000105137415 436569505 /nfs/dbraw/zinc/56/95/05/436569505.db2.gz UNDMTLXQCULHFC-HNNXBMFYSA-N 2 2 337.468 0.077 10 0 ECAELP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC000105137415 436569509 /nfs/dbraw/zinc/56/95/09/436569509.db2.gz UNDMTLXQCULHFC-HNNXBMFYSA-N 2 2 337.468 0.077 10 0 ECAELP CCCNC(=O)[C@H](C)[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000105845731 436582201 /nfs/dbraw/zinc/58/22/01/436582201.db2.gz OXILNCZZENFUKM-DLBZAZTESA-N 2 2 340.512 0.628 10 0 ECAELP CCCNC(=O)[C@H](C)[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000105845731 436582202 /nfs/dbraw/zinc/58/22/02/436582202.db2.gz OXILNCZZENFUKM-DLBZAZTESA-N 2 2 340.512 0.628 10 0 ECAELP Cn1cc(C[N@@H+]2CCCN(C(=O)NCCn3cc[nH+]c3)CC2)cn1 ZINC000115778853 436648095 /nfs/dbraw/zinc/64/80/95/436648095.db2.gz WRKITHPGMDXUOB-UHFFFAOYSA-N 2 2 331.424 0.534 10 0 ECAELP Cn1cc(C[N@H+]2CCCN(C(=O)NCCn3cc[nH+]c3)CC2)cn1 ZINC000115778853 436648097 /nfs/dbraw/zinc/64/80/97/436648097.db2.gz WRKITHPGMDXUOB-UHFFFAOYSA-N 2 2 331.424 0.534 10 0 ECAELP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000246332805 436778186 /nfs/dbraw/zinc/77/81/86/436778186.db2.gz OMAWSDZHMLJYCW-ZACQAIPSSA-N 2 2 337.512 0.891 10 0 ECAELP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000246332805 436778191 /nfs/dbraw/zinc/77/81/91/436778191.db2.gz OMAWSDZHMLJYCW-ZACQAIPSSA-N 2 2 337.512 0.891 10 0 ECAELP C[C@@H](CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)CN1CC[NH+](C)CC1 ZINC000247242920 436791123 /nfs/dbraw/zinc/79/11/23/436791123.db2.gz YBCSUHUDIJMLJE-IRXDYDNUSA-N 2 2 337.512 0.750 10 0 ECAELP C[C@@H](CNC(=O)N1CC[N@H+]2CCCC[C@H]2C1)CN1CC[NH+](C)CC1 ZINC000247242920 436791125 /nfs/dbraw/zinc/79/11/25/436791125.db2.gz YBCSUHUDIJMLJE-IRXDYDNUSA-N 2 2 337.512 0.750 10 0 ECAELP C[N@@H+]1CCO[C@H](CNC(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000170921805 436959810 /nfs/dbraw/zinc/95/98/10/436959810.db2.gz WRTAYKVYPISWTL-QGZVFWFLSA-N 2 2 347.463 0.676 10 0 ECAELP C[N@H+]1CCO[C@H](CNC(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000170921805 436959811 /nfs/dbraw/zinc/95/98/11/436959811.db2.gz WRTAYKVYPISWTL-QGZVFWFLSA-N 2 2 347.463 0.676 10 0 ECAELP CC[C@H]1CN(C(=O)NCCC[NH+]2CCOCC2)CC[N@@H+]1C[C@@H](C)O ZINC000184683881 437407863 /nfs/dbraw/zinc/40/78/63/437407863.db2.gz HIUGVEZOMYLZOO-CVEARBPZSA-N 2 2 342.484 0.195 10 0 ECAELP CC[C@H]1CN(C(=O)NCCC[NH+]2CCOCC2)CC[N@H+]1C[C@@H](C)O ZINC000184683881 437407871 /nfs/dbraw/zinc/40/78/71/437407871.db2.gz HIUGVEZOMYLZOO-CVEARBPZSA-N 2 2 342.484 0.195 10 0 ECAELP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262561442 535701336 /nfs/dbraw/zinc/70/13/36/535701336.db2.gz WLLDCNFSWMVYHL-CVEARBPZSA-N 2 2 332.448 0.869 10 0 ECAELP CC[C@H](O)C[NH+]1CCN(C(=O)/C=C(/C)C[NH+]2CCOCC2)CC1 ZINC000900598919 586646076 /nfs/dbraw/zinc/64/60/76/586646076.db2.gz AHVRNJSXUZUZIQ-IRVMHKCDSA-N 2 2 325.453 0.180 10 0 ECAELP C[C@H]1CN(C(=O)c2ccnn2CC[NH+](C)C)C[C@@H]1[NH+]1CCOCC1 ZINC000900879341 586672020 /nfs/dbraw/zinc/67/20/20/586672020.db2.gz KEMOXUFDCWARPN-HOCLYGCPSA-N 2 2 335.452 0.237 10 0 ECAELP C[NH+](C)[C@@H]1CN(Cc2ccc(-n3cc[nH+]c3)nc2)C[C@@H]1n1ccnn1 ZINC000859756438 589713221 /nfs/dbraw/zinc/71/32/21/589713221.db2.gz NODMMRZDWJJHLV-CVEARBPZSA-N 2 2 338.419 0.846 10 0 ECAELP CC[C@@H]1CN(C(=O)NCCC[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC000117468683 221066895 /nfs/dbraw/zinc/06/68/95/221066895.db2.gz BQMMAPOIZSQQRO-MRXNPFEDSA-N 2 2 342.484 0.461 10 0 ECAELP CC[C@@H]1CN(C(=O)NCCC[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC000117468683 221066898 /nfs/dbraw/zinc/06/68/98/221066898.db2.gz BQMMAPOIZSQQRO-MRXNPFEDSA-N 2 2 342.484 0.461 10 0 ECAELP C[C@@H]1CN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)C[C@H]1[NH+]1CCOCC1 ZINC000246608188 165140487 /nfs/dbraw/zinc/14/04/87/165140487.db2.gz WRJGNSQXVAXZGC-BZUAXINKSA-N 2 2 347.463 0.595 10 0 ECAELP O=C(NC[C@@H](O)C[NH+]1CCOCC1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000249758537 165203850 /nfs/dbraw/zinc/20/38/50/165203850.db2.gz FKVDZBSVBHMWJP-QZTJIDSGSA-N 2 2 347.459 0.460 10 0 ECAELP O=C(NC[C@@H](O)C[NH+]1CCOCC1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000249758537 165203854 /nfs/dbraw/zinc/20/38/54/165203854.db2.gz FKVDZBSVBHMWJP-QZTJIDSGSA-N 2 2 347.459 0.460 10 0 ECAELP CC1(C)C[N@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC[C@@H]1[NH3+] ZINC000261624719 165217613 /nfs/dbraw/zinc/21/76/13/165217613.db2.gz DSLUZIACIPBRQE-HNNXBMFYSA-N 2 2 348.447 0.623 10 0 ECAELP CC1(C)C[N@@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC[C@@H]1[NH3+] ZINC000261624719 165217617 /nfs/dbraw/zinc/21/76/17/165217617.db2.gz DSLUZIACIPBRQE-HNNXBMFYSA-N 2 2 348.447 0.623 10 0 ECAELP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000261773932 165242218 /nfs/dbraw/zinc/24/22/18/165242218.db2.gz XFLNYHREXSLQTM-WBVHZDCISA-N 2 2 342.443 0.971 10 0 ECAELP COC[C@@H]([NH3+])C(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000262233112 165314223 /nfs/dbraw/zinc/31/42/23/165314223.db2.gz HAAKUEBYZFGHHW-HUUCEWRRSA-N 2 2 348.403 0.617 10 0 ECAELP C[C@H]1OCC[NH2+][C@@H]1C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000262233446 165314592 /nfs/dbraw/zinc/31/45/92/165314592.db2.gz KLVKNFPIBHAVIJ-DYVFJYSZSA-N 2 2 333.432 0.959 10 0 ECAELP CC[C@H]1CN(C(=O)N[C@H](C)C[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC000246954183 281138192 /nfs/dbraw/zinc/13/81/92/281138192.db2.gz DCCTWEPKKVEYLS-CVEARBPZSA-N 2 2 342.484 0.459 10 0 ECAELP CC[C@H]1CN(C(=O)N[C@H](C)C[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC000246954183 281138197 /nfs/dbraw/zinc/13/81/97/281138197.db2.gz DCCTWEPKKVEYLS-CVEARBPZSA-N 2 2 342.484 0.459 10 0 ECAELP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000076306674 436199548 /nfs/dbraw/zinc/19/95/48/436199548.db2.gz SFEUFQLECOZVRI-HOCLYGCPSA-N 2 2 327.469 0.617 10 0 ECAELP Cn1cc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(=O)n(C)c1=O ZINC000092812843 436477313 /nfs/dbraw/zinc/47/73/13/436477313.db2.gz DKBLHEBKCPTVIB-CYBMUJFWSA-N 2 2 329.404 0.413 10 0 ECAELP Cn1cc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(=O)n(C)c1=O ZINC000092812843 436477314 /nfs/dbraw/zinc/47/73/14/436477314.db2.gz DKBLHEBKCPTVIB-CYBMUJFWSA-N 2 2 329.404 0.413 10 0 ECAELP C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000104798377 436562222 /nfs/dbraw/zinc/56/22/22/436562222.db2.gz DDSCHDCCROQEBL-INIZCTEOSA-N 2 2 340.468 0.071 10 0 ECAELP C[N@H+]1CCO[C@@H](CNC(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000104798377 436562223 /nfs/dbraw/zinc/56/22/23/436562223.db2.gz DDSCHDCCROQEBL-INIZCTEOSA-N 2 2 340.468 0.071 10 0 ECAELP C[C@H](CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)[NH+]1CCOCC1 ZINC000068396217 436744325 /nfs/dbraw/zinc/74/43/25/436744325.db2.gz GYVGFGLPLBFWPU-OAHLLOKOSA-N 2 2 347.463 0.284 10 0 ECAELP CN1CCN(c2cc(NC[C@@H](O)C[NH+]3CCCCC3)nc[nH+]2)CC1=O ZINC000274709173 436863284 /nfs/dbraw/zinc/86/32/84/436863284.db2.gz XHOCUGRDRGKQSN-CQSZACIVSA-N 2 2 348.451 0.014 10 0 ECAELP CN1CCN(c2cc(NC[C@@H](O)C[NH+]3CCCCC3)[nH+]cn2)CC1=O ZINC000274709173 436863287 /nfs/dbraw/zinc/86/32/87/436863287.db2.gz XHOCUGRDRGKQSN-CQSZACIVSA-N 2 2 348.451 0.014 10 0 ECAELP CN1CCN(c2cc(NC[C@H](O)C[NH+]3CCCCC3)nc[nH+]2)CC1=O ZINC000274709172 436864485 /nfs/dbraw/zinc/86/44/85/436864485.db2.gz XHOCUGRDRGKQSN-AWEZNQCLSA-N 2 2 348.451 0.014 10 0 ECAELP CN1CCN(c2cc(NC[C@H](O)C[NH+]3CCCCC3)[nH+]cn2)CC1=O ZINC000274709172 436864490 /nfs/dbraw/zinc/86/44/90/436864490.db2.gz XHOCUGRDRGKQSN-AWEZNQCLSA-N 2 2 348.451 0.014 10 0 ECAELP CCCN(CCC)S(=O)(=O)N1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261796092 436888504 /nfs/dbraw/zinc/88/85/04/436888504.db2.gz GPCVSURLBKGKQD-MRXNPFEDSA-N 2 2 346.541 0.970 10 0 ECAELP [NH3+][C@@H]1CC[C@@H](C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000166793872 436939161 /nfs/dbraw/zinc/93/91/61/436939161.db2.gz UZUVARWOLODRQC-HUUCEWRRSA-N 2 2 345.447 0.364 10 0 ECAELP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263242428 436957568 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0 ECAELP CC1(C)C[N@@H+](CC(=O)NCCOc2ccc3c(c2)OCO3)CC[C@@H]1[NH3+] ZINC000261923828 165263759 /nfs/dbraw/zinc/26/37/59/165263759.db2.gz YYZLXTLLZNATFC-INIZCTEOSA-N 2 2 349.431 0.970 10 0 ECAELP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000262356539 165335994 /nfs/dbraw/zinc/33/59/94/165335994.db2.gz UUOZEZRTQMLNNW-HRCADAONSA-N 2 2 335.473 0.473 10 0 ECAELP CNc1cc(N2CCC[C@H]2CNC(=O)C2CC[NH+](C)CC2)nc[nH+]1 ZINC000173418476 263148820 /nfs/dbraw/zinc/14/88/20/263148820.db2.gz IBJUENTUZSLLMZ-AWEZNQCLSA-N 2 2 332.452 0.945 10 0 ECAELP CNc1cc(N2CCC[C@H]2CNC(=O)C2CC[NH+](C)CC2)[nH+]cn1 ZINC000173418476 263148821 /nfs/dbraw/zinc/14/88/21/263148821.db2.gz IBJUENTUZSLLMZ-AWEZNQCLSA-N 2 2 332.452 0.945 10 0 ECAELP OC[C@H]1CCCN1c1cc(NCCCC[NH+]2CCOCC2)nc[nH+]1 ZINC000105787855 436577819 /nfs/dbraw/zinc/57/78/19/436577819.db2.gz CJGVWHWWMOFIBT-OAHLLOKOSA-N 2 2 335.452 0.962 10 0 ECAELP OC[C@H]1CCCN1c1cc(NCCCC[NH+]2CCOCC2)[nH+]cn1 ZINC000105787855 436577823 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0.614 10 0 ECAELP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000156335588 436814909 /nfs/dbraw/zinc/81/49/09/436814909.db2.gz YEGGUIYTALFWQY-YOEHRIQHSA-N 2 2 346.431 0.614 10 0 ECAELP CC[C@H](O)C[NH+]1CCN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000248486706 436803456 /nfs/dbraw/zinc/80/34/56/436803456.db2.gz LKUIJKNNGVMKKW-PMPSAXMXSA-N 2 2 342.484 0.194 10 0 ECAELP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1CO ZINC000253414093 436844401 /nfs/dbraw/zinc/84/44/01/436844401.db2.gz WLRRUGCCBKEVGG-GOEBONIOSA-N 2 2 329.404 0.196 10 0 ECAELP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1CO ZINC000253414093 436844406 /nfs/dbraw/zinc/84/44/06/436844406.db2.gz WLRRUGCCBKEVGG-GOEBONIOSA-N 2 2 329.404 0.196 10 0 ECAELP Cn1cc[nH+]c1CN(C(=O)[C@@H]1CCC[NH2+]C1)[C@H]1CC12CC[NH2+]CC2 ZINC000262001120 436900328 /nfs/dbraw/zinc/90/03/28/436900328.db2.gz PUVHHFPXUAQGAY-CABCVRRESA-N 3 2 331.464 0.890 10 0 ECAELP COc1cc(Br)c(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cc1O ZINC000263155732 436953514 /nfs/dbraw/zinc/95/35/14/436953514.db2.gz DJYSMBIPLIVQKR-JOYOIKCWSA-N 2 2 331.210 0.833 10 0 ECAELP COc1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)c(Br)c1O ZINC000263213577 436954820 /nfs/dbraw/zinc/95/48/20/436954820.db2.gz KNSVXQAIPFCVDY-UWVGGRQHSA-N 2 2 331.210 0.833 10 0 ECAELP C[C@@H]1CN(C(=O)NCCC[NH+]2CCOCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000175609776 437110052 /nfs/dbraw/zinc/11/00/52/437110052.db2.gz STWMNACOLIKXRI-CVEARBPZSA-N 2 2 340.468 0.071 10 0 ECAELP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@@H](O)C[C@@H]3CO)CC2)c1 ZINC000179177439 437255819 /nfs/dbraw/zinc/25/58/19/437255819.db2.gz DXAJAORAPMIRGU-MSOLQXFVSA-N 2 2 347.459 0.067 10 0 ECAELP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@@H](O)C[C@@H]3CO)CC2)c1 ZINC000179177439 437255824 /nfs/dbraw/zinc/25/58/24/437255824.db2.gz DXAJAORAPMIRGU-MSOLQXFVSA-N 2 2 347.459 0.067 10 0 ECAELP Cc1nn(C)c(C)c1C[NH+]1CCN([C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000180615095 437295774 /nfs/dbraw/zinc/29/57/74/437295774.db2.gz SLSPQHRLDHDFCV-HNNXBMFYSA-N 2 2 335.496 0.875 10 0 ECAELP Cc1nn(C)c(C)c1C[NH+]1CCN([C@H](C)C[NH+]2CCOCC2)CC1 ZINC000180615111 437297046 /nfs/dbraw/zinc/29/70/46/437297046.db2.gz SLSPQHRLDHDFCV-OAHLLOKOSA-N 2 2 335.496 0.875 10 0 ECAELP CC[C@H](O)C[NH+]1CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000185017041 437422486 /nfs/dbraw/zinc/42/24/86/437422486.db2.gz BWKBIVANKCNZIG-HNNXBMFYSA-N 2 2 342.484 0.195 10 0 ECAELP CC[C@H](O)C[NH+]1CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000185017041 437422489 /nfs/dbraw/zinc/42/24/89/437422489.db2.gz BWKBIVANKCNZIG-HNNXBMFYSA-N 2 2 342.484 0.195 10 0 ECAELP COC(=O)Cn1cc(CC[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)nn1 ZINC000130376748 533787737 /nfs/dbraw/zinc/78/77/37/533787737.db2.gz WCSMGPYFKJVXGR-AWEZNQCLSA-N 2 2 344.419 0.823 10 0 ECAELP COC(=O)Cn1cc(CC[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)nn1 ZINC000130376748 533787745 /nfs/dbraw/zinc/78/77/45/533787745.db2.gz WCSMGPYFKJVXGR-AWEZNQCLSA-N 2 2 344.419 0.823 10 0 ECAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000677710271 548951919 /nfs/dbraw/zinc/95/19/19/548951919.db2.gz ZRUMUSHHRVYQRR-HNNXBMFYSA-N 2 2 341.477 0.232 10 0 ECAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000677710271 548951921 /nfs/dbraw/zinc/95/19/21/548951921.db2.gz ZRUMUSHHRVYQRR-HNNXBMFYSA-N 2 2 341.477 0.232 10 0 ECAELP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1nnn(C(C)(C)C)n1)C2 ZINC000888097855 586350105 /nfs/dbraw/zinc/35/01/05/586350105.db2.gz QPKHHAFXZWEKPF-SMKXDYDZSA-N 2 2 336.484 0.997 10 0 ECAELP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1nnn(C(C)(C)C)n1)C2 ZINC000888097855 586350107 /nfs/dbraw/zinc/35/01/07/586350107.db2.gz QPKHHAFXZWEKPF-SMKXDYDZSA-N 2 2 336.484 0.997 10 0 ECAELP C[C@@H]1C[NH+]=C(N2CC[NH+](C[C@H](O)CN3CCCC3=O)CC2)S1 ZINC000127025245 590513256 /nfs/dbraw/zinc/51/32/56/590513256.db2.gz YOLGGRICVMVLHE-OLZOCXBDSA-N 2 2 326.466 0.079 10 0 ECAELP C[NH+](C)[C@H]1CCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000170833421 282261643 /nfs/dbraw/zinc/26/16/43/282261643.db2.gz GYLDCEJLYUXVJM-HOCLYGCPSA-N 2 2 342.509 0.540 10 0 ECAELP CC1CCC([NH+]2CCN(C(=O)[C@H]([NH3+])CCS(C)(=O)=O)CC2)CC1 ZINC000236666776 242313651 /nfs/dbraw/zinc/31/36/51/242313651.db2.gz JURBUQSWYXGFDU-YMAMQOFZSA-N 2 2 345.509 0.471 10 0 ECAELP COCC[N@@H+]1CCN(C(=O)NCCC[NH+]2CCOCC2)C[C@H]1C ZINC000117468661 221067251 /nfs/dbraw/zinc/06/72/51/221067251.db2.gz KNKSRRJHUSKQJR-OAHLLOKOSA-N 2 2 328.457 0.071 10 0 ECAELP COCC[N@H+]1CCN(C(=O)NCCC[NH+]2CCOCC2)C[C@H]1C ZINC000117468661 221067253 /nfs/dbraw/zinc/06/72/53/221067253.db2.gz KNKSRRJHUSKQJR-OAHLLOKOSA-N 2 2 328.457 0.071 10 0 ECAELP COCC[N@@H+]1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H]1C ZINC000117469963 221067423 /nfs/dbraw/zinc/06/74/23/221067423.db2.gz VVJWZZQTOMPLFS-OAHLLOKOSA-N 2 2 342.484 0.459 10 0 ECAELP COCC[N@H+]1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H]1C ZINC000117469963 221067425 /nfs/dbraw/zinc/06/74/25/221067425.db2.gz VVJWZZQTOMPLFS-OAHLLOKOSA-N 2 2 342.484 0.459 10 0 ECAELP C[C@H]([C@H](C)NC(=O)NC[C@@H](O)C[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000246326552 165130874 /nfs/dbraw/zinc/13/08/74/165130874.db2.gz APNDDACESZFPIQ-ARFHVFGLSA-N 2 2 342.484 0.242 10 0 ECAELP C[C@H]1CN(c2ccc(CNC(=O)[C@@H]([NH3+])C3CCOCC3)c[nH+]2)CCO1 ZINC000261847250 165251556 /nfs/dbraw/zinc/25/15/56/165251556.db2.gz RESQKPNWKQJXBW-GUYCJALGSA-N 2 2 348.447 0.677 10 0 ECAELP COC[C@@H]([NH3+])C(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000262233094 165314460 /nfs/dbraw/zinc/31/44/60/165314460.db2.gz HAAKUEBYZFGHHW-CABCVRRESA-N 2 2 348.403 0.617 10 0 ECAELP C[NH+]1CCN(c2ncccc2CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263097283 165416794 /nfs/dbraw/zinc/41/67/94/165416794.db2.gz ZBTBWTKPRFVFEU-ZDUSSCGKSA-N 2 2 339.390 0.447 10 0 ECAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000263311341 165435159 /nfs/dbraw/zinc/43/51/59/165435159.db2.gz YRZPJTUHNHVZCO-MWLCHTKSSA-N 2 2 329.194 0.848 10 0 ECAELP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000174494508 280322210 /nfs/dbraw/zinc/32/22/10/280322210.db2.gz FGVVSEKJAFKMRC-SJORKVTESA-N 2 2 339.480 0.713 10 0 ECAELP C[C@H](CNC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)[NH+]1CCOCC1 ZINC000077744259 436249533 /nfs/dbraw/zinc/24/95/33/436249533.db2.gz DINONVKTZOIQEI-BZUAXINKSA-N 2 2 342.484 0.506 10 0 ECAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000105845540 436582233 /nfs/dbraw/zinc/58/22/33/436582233.db2.gz DLCMSCRXPKWALM-MRXNPFEDSA-N 2 2 340.512 0.628 10 0 ECAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000105845540 436582234 /nfs/dbraw/zinc/58/22/34/436582234.db2.gz DLCMSCRXPKWALM-MRXNPFEDSA-N 2 2 340.512 0.628 10 0 ECAELP C[NH+](C)Cc1cccc(NC(=O)NC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000194769528 436671449 /nfs/dbraw/zinc/67/14/49/436671449.db2.gz RMNHIHFPFPSVCS-MRXNPFEDSA-N 2 2 336.436 0.563 10 0 ECAELP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000237651489 436740934 /nfs/dbraw/zinc/74/09/34/436740934.db2.gz INWGUZXZMYRQEW-OWCLPIDISA-N 2 2 336.480 0.659 10 0 ECAELP CC[C@H]1CN(C(=O)NCCC[NH+]2CCOCC2)CC[N@@H+]1C[C@H](C)O ZINC000248448216 436804142 /nfs/dbraw/zinc/80/41/42/436804142.db2.gz HIUGVEZOMYLZOO-HOTGVXAUSA-N 2 2 342.484 0.195 10 0 ECAELP CC[C@H]1CN(C(=O)NCCC[NH+]2CCOCC2)CC[N@H+]1C[C@H](C)O ZINC000248448216 436804143 /nfs/dbraw/zinc/80/41/43/436804143.db2.gz HIUGVEZOMYLZOO-HOTGVXAUSA-N 2 2 342.484 0.195 10 0 ECAELP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](C)[NH+]2CCOCC2)C1 ZINC000157228309 436824707 /nfs/dbraw/zinc/82/47/07/436824707.db2.gz QXCFDVWGLRKEPR-HZPDHXFCSA-N 2 2 326.485 0.984 10 0 ECAELP CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@@H](C)[NH+]2CCOCC2)C1 ZINC000157228309 436824711 /nfs/dbraw/zinc/82/47/11/436824711.db2.gz QXCFDVWGLRKEPR-HZPDHXFCSA-N 2 2 326.485 0.984 10 0 ECAELP COC[C@H]([NH3+])C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000263253840 436959568 /nfs/dbraw/zinc/95/95/68/436959568.db2.gz PVPCJJNSKCMWTC-HNNXBMFYSA-N 2 2 334.420 0.179 10 0 ECAELP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)C1 ZINC000174875781 437088628 /nfs/dbraw/zinc/08/86/28/437088628.db2.gz KFQNWSDTYAJLCN-KRWDZBQOSA-N 2 2 349.479 0.402 10 0 ECAELP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)C1 ZINC000174875781 437088633 /nfs/dbraw/zinc/08/86/33/437088633.db2.gz KFQNWSDTYAJLCN-KRWDZBQOSA-N 2 2 349.479 0.402 10 0 ECAELP CC[C@@H]1CN(C(=O)NC[C@@H](C)[NH+]2CCOCC2)CC[N@@H+]1C[C@@H](C)O ZINC000184829981 545894272 /nfs/dbraw/zinc/89/42/72/545894272.db2.gz WMNDJRDJTBZEDE-BZUAXINKSA-N 2 2 342.484 0.194 10 0 ECAELP CC[C@@H]1CN(C(=O)NC[C@@H](C)[NH+]2CCOCC2)CC[N@H+]1C[C@@H](C)O ZINC000184829981 545894277 /nfs/dbraw/zinc/89/42/77/545894277.db2.gz WMNDJRDJTBZEDE-BZUAXINKSA-N 2 2 342.484 0.194 10 0 ECAELP Nc1cc(N2CCC3(CC[NH2+]CC3)CC2)nc(N2CCOCC2)[nH+]1 ZINC000071589615 610623730 /nfs/dbraw/zinc/62/37/30/610623730.db2.gz WXKZJSAUDHKKQG-UHFFFAOYSA-N 2 2 332.452 0.865 10 0 ECAELP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@@H](O)COC(C)(C)C)CC1 ZINC000103562300 219314437 /nfs/dbraw/zinc/31/44/37/219314437.db2.gz FOLRZWGOYFPAFQ-OAHLLOKOSA-N 2 2 329.485 0.648 10 0 ECAELP COCC[N@@H+]1CCN(C(=O)NC[C@@H](C)[NH+]2CCOCC2)C[C@@H]1C ZINC000117477513 221068205 /nfs/dbraw/zinc/06/82/05/221068205.db2.gz FJVPQTMUIHEFOQ-CABCVRRESA-N 2 2 328.457 0.069 10 0 ECAELP COCC[N@H+]1CCN(C(=O)NC[C@@H](C)[NH+]2CCOCC2)C[C@@H]1C ZINC000117477513 221068207 /nfs/dbraw/zinc/06/82/07/221068207.db2.gz FJVPQTMUIHEFOQ-CABCVRRESA-N 2 2 328.457 0.069 10 0 ECAELP C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000118115750 221122256 /nfs/dbraw/zinc/12/22/56/221122256.db2.gz ZBJHOVYUISNDSQ-HNNXBMFYSA-N 2 2 343.387 0.258 10 0 ECAELP C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000118115750 221122258 /nfs/dbraw/zinc/12/22/58/221122258.db2.gz ZBJHOVYUISNDSQ-HNNXBMFYSA-N 2 2 343.387 0.258 10 0 ECAELP COCC[N@@H+]1CCN(C(=O)NC[C@H](C)[NH+]2CCOCC2)C[C@@H]1C ZINC000246980080 165148428 /nfs/dbraw/zinc/14/84/28/165148428.db2.gz FJVPQTMUIHEFOQ-GJZGRUSLSA-N 2 2 328.457 0.069 10 0 ECAELP COCC[N@H+]1CCN(C(=O)NC[C@H](C)[NH+]2CCOCC2)C[C@@H]1C ZINC000246980080 165148432 /nfs/dbraw/zinc/14/84/32/165148432.db2.gz FJVPQTMUIHEFOQ-GJZGRUSLSA-N 2 2 328.457 0.069 10 0 ECAELP CCOCC[N@@H+]1CCN(C(=O)NC[C@H]2C[NH+](C)CCO2)C[C@@H]1CC ZINC000247048066 165152457 /nfs/dbraw/zinc/15/24/57/165152457.db2.gz JJURPXMMGMZUAF-HOTGVXAUSA-N 2 2 342.484 0.459 10 0 ECAELP CCOCC[N@H+]1CCN(C(=O)NC[C@H]2C[NH+](C)CCO2)C[C@@H]1CC ZINC000247048066 165152461 /nfs/dbraw/zinc/15/24/61/165152461.db2.gz JJURPXMMGMZUAF-HOTGVXAUSA-N 2 2 342.484 0.459 10 0 ECAELP CCOCC[NH+]1CCN(C(=O)NC[C@H]2C[N@H+](C)CCO2)C[C@@H]1CC ZINC000247048066 165152465 /nfs/dbraw/zinc/15/24/65/165152465.db2.gz JJURPXMMGMZUAF-HOTGVXAUSA-N 2 2 342.484 0.459 10 0 ECAELP CCOCC[NH+]1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)C[C@@H]1CC ZINC000247048066 165152470 /nfs/dbraw/zinc/15/24/70/165152470.db2.gz JJURPXMMGMZUAF-HOTGVXAUSA-N 2 2 342.484 0.459 10 0 ECAELP COC[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000262048924 165282665 /nfs/dbraw/zinc/28/26/65/165282665.db2.gz MIZUZVQXNIVGQO-MRXNPFEDSA-N 2 2 334.420 0.263 10 0 ECAELP [NH3+]Cc1nc(CN2CC[NH+](CC(=O)N3CCCCCC3)CC2)no1 ZINC000262224342 165311907 /nfs/dbraw/zinc/31/19/07/165311907.db2.gz NBXGVQAKYNZCFP-UHFFFAOYSA-N 2 2 336.440 0.049 10 0 ECAELP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O ZINC000262715107 165375698 /nfs/dbraw/zinc/37/56/98/165375698.db2.gz UMBAEIWYRRVAEH-ZIAGYGMSSA-N 2 2 333.498 0.519 10 0 ECAELP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O ZINC000262715107 165375707 /nfs/dbraw/zinc/37/57/07/165375707.db2.gz UMBAEIWYRRVAEH-ZIAGYGMSSA-N 2 2 333.498 0.519 10 0 ECAELP O=C(NCc1cc[nH+]c(N2CCOCC2)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171900433 227346737 /nfs/dbraw/zinc/34/67/37/227346737.db2.gz UJMLOILQORGDEW-INIZCTEOSA-N 2 2 345.447 0.908 10 0 ECAELP O=C(NCc1cc[nH+]c(N2CCOCC2)c1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171900433 227346741 /nfs/dbraw/zinc/34/67/41/227346741.db2.gz UJMLOILQORGDEW-INIZCTEOSA-N 2 2 345.447 0.908 10 0 ECAELP CCNC(=O)C[NH+]1CCN(c2cncc(-n3cc[nH+]c3C)n2)CC1 ZINC000092887239 436477900 /nfs/dbraw/zinc/47/79/00/436477900.db2.gz CZXNMEGIZNLMIH-UHFFFAOYSA-N 2 2 329.408 0.229 10 0 ECAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCCN(c3cccnn3)CC2)CC1 ZINC000105798020 436577402 /nfs/dbraw/zinc/57/74/02/436577402.db2.gz KTMOWRMJNQZGTN-INIZCTEOSA-N 2 2 346.479 0.541 10 0 ECAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCCN(c3cccnn3)CC2)CC1 ZINC000105798020 436577403 /nfs/dbraw/zinc/57/74/03/436577403.db2.gz KTMOWRMJNQZGTN-INIZCTEOSA-N 2 2 346.479 0.541 10 0 ECAELP COCCC[NH+]1CCC(NC(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000105233368 436573164 /nfs/dbraw/zinc/57/31/64/436573164.db2.gz OMBUWJDKUKYPIB-HNNXBMFYSA-N 2 2 328.457 0.117 10 0 ECAELP COCCC[NH+]1CCC(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000105233368 436573168 /nfs/dbraw/zinc/57/31/68/436573168.db2.gz OMBUWJDKUKYPIB-HNNXBMFYSA-N 2 2 328.457 0.117 10 0 ECAELP CCOCC[N@@H+]1CCN(C[C@H](O)C[NH+]2CCOCC2)C[C@@H]1CC ZINC000105903153 436586989 /nfs/dbraw/zinc/58/69/89/436586989.db2.gz UFLNHOOXOGYKBG-DLBZAZTESA-N 2 2 329.485 0.112 10 0 ECAELP CCOCC[N@H+]1CCN(C[C@H](O)C[NH+]2CCOCC2)C[C@@H]1CC ZINC000105903153 436586991 /nfs/dbraw/zinc/58/69/91/436586991.db2.gz UFLNHOOXOGYKBG-DLBZAZTESA-N 2 2 329.485 0.112 10 0 ECAELP CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000106534878 436597860 /nfs/dbraw/zinc/59/78/60/436597860.db2.gz OVMVUIIPGFQDKB-JKSUJKDBSA-N 2 2 327.517 0.898 10 0 ECAELP Cn1ccnc1C[NH+]1CCC(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000195334265 436688053 /nfs/dbraw/zinc/68/80/53/436688053.db2.gz XQMGIWCSJAJDQL-INIZCTEOSA-N 2 2 331.464 0.939 10 0 ECAELP Cn1ccnc1C[NH+]1CCC(C(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000195334265 436688056 /nfs/dbraw/zinc/68/80/56/436688056.db2.gz XQMGIWCSJAJDQL-INIZCTEOSA-N 2 2 331.464 0.939 10 0 ECAELP O=C(NCCn1cc[nH+]c1)[C@@H]1CCC[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000135883382 436925914 /nfs/dbraw/zinc/92/59/14/436925914.db2.gz GANQDFSOTIVYRO-GASCZTMLSA-N 2 2 344.419 0.429 10 0 ECAELP COc1cc(Br)c(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cc1O ZINC000263155729 436954310 /nfs/dbraw/zinc/95/43/10/436954310.db2.gz DJYSMBIPLIVQKR-CABZTGNLSA-N 2 2 331.210 0.833 10 0 ECAELP O=C(CCCC[NH+]1CCOCC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172759307 437029544 /nfs/dbraw/zinc/02/95/44/437029544.db2.gz XOXOQNBIAFEQNK-INIZCTEOSA-N 2 2 325.453 0.422 10 0 ECAELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000174784878 437086529 /nfs/dbraw/zinc/08/65/29/437086529.db2.gz OMAWSDZHMLJYCW-GVDBMIGSSA-N 2 2 337.512 0.891 10 0 ECAELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000174784878 437086532 /nfs/dbraw/zinc/08/65/32/437086532.db2.gz OMAWSDZHMLJYCW-GVDBMIGSSA-N 2 2 337.512 0.891 10 0 ECAELP C[C@H]1CN(C(=O)NCCC[NH+]2CCOCC2)C[C@H]1[NH+]1CCOCC1 ZINC000175609829 437109189 /nfs/dbraw/zinc/10/91/89/437109189.db2.gz STWMNACOLIKXRI-JKSUJKDBSA-N 2 2 340.468 0.071 10 0 ECAELP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](O)C[C@@H]2CO)CC1 ZINC000179170201 437252394 /nfs/dbraw/zinc/25/23/94/437252394.db2.gz FCSDGKAPPJHGED-MSOLQXFVSA-N 2 2 347.459 0.067 10 0 ECAELP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](O)C[C@@H]2CO)CC1 ZINC000179170201 437252396 /nfs/dbraw/zinc/25/23/96/437252396.db2.gz FCSDGKAPPJHGED-MSOLQXFVSA-N 2 2 347.459 0.067 10 0 ECAELP CC[C@H](O)C[NH+]1CCN(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000181716931 437328800 /nfs/dbraw/zinc/32/88/00/437328800.db2.gz LKUIJKNNGVMKKW-OAGGEKHMSA-N 2 2 342.484 0.194 10 0 ECAELP CC[C@@H](O)C[NH+]1CCN(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC000184702969 437407927 /nfs/dbraw/zinc/40/79/27/437407927.db2.gz KJXFBRLHZOEHJN-CABCVRRESA-N 2 2 338.452 0.980 10 0 ECAELP CN1CC[NH+](CCC(C)(C)NC(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000185351752 437436788 /nfs/dbraw/zinc/43/67/88/437436788.db2.gz YFDRNHQAKRVLRT-OAHLLOKOSA-N 2 2 341.500 0.032 10 0 ECAELP CN1CC[NH+](CCC(C)(C)NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000185351752 437436792 /nfs/dbraw/zinc/43/67/92/437436792.db2.gz YFDRNHQAKRVLRT-OAHLLOKOSA-N 2 2 341.500 0.032 10 0 ECAELP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N2CCO[C@H]3CC[NH+](C)C[C@H]32)n[nH]1 ZINC000897709061 586361184 /nfs/dbraw/zinc/36/11/84/586361184.db2.gz HHHTYQTXELUHAC-OAGGEKHMSA-N 2 2 333.436 0.722 10 0 ECAELP C[N@H+]1CCC[C@@H]1c1cc(C(=O)N2CCO[C@H]3CC[NH+](C)C[C@H]32)n[nH]1 ZINC000897709061 586361187 /nfs/dbraw/zinc/36/11/87/586361187.db2.gz HHHTYQTXELUHAC-OAGGEKHMSA-N 2 2 333.436 0.722 10 0 ECAELP C[NH+]1CCC[C@@H]1c1cc(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)n[nH]1 ZINC000897709061 586361190 /nfs/dbraw/zinc/36/11/90/586361190.db2.gz HHHTYQTXELUHAC-OAGGEKHMSA-N 2 2 333.436 0.722 10 0 ECAELP C[NH+]1CCC[C@@H]1c1cc(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)n[nH]1 ZINC000897709061 586361193 /nfs/dbraw/zinc/36/11/93/586361193.db2.gz HHHTYQTXELUHAC-OAGGEKHMSA-N 2 2 333.436 0.722 10 0 ECAELP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000111816469 220197352 /nfs/dbraw/zinc/19/73/52/220197352.db2.gz ZLYFQHBOFCZQRG-HUUCEWRRSA-N 2 2 328.457 0.117 10 0 ECAELP 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0.572 10 0 ECAELP C[C@@H]1C[N@@H+](C2CC[NH+](C[C@@H](O)COC3CCOCC3)CC2)CCO1 ZINC000246162043 263176094 /nfs/dbraw/zinc/17/60/94/263176094.db2.gz DIULSDQGXCNNOI-NVXWUHKLSA-N 2 2 342.480 0.728 10 0 ECAELP C[C@@H]1C[N@H+](C2CC[NH+](C[C@@H](O)COC3CCOCC3)CC2)CCO1 ZINC000246162043 263176096 /nfs/dbraw/zinc/17/60/96/263176096.db2.gz DIULSDQGXCNNOI-NVXWUHKLSA-N 2 2 342.480 0.728 10 0 ECAELP C[C@H]1C[C@@H]([NH2+]CCN2CCN(c3ncccn3)CC2)C[N@@H+]1C1CC1 ZINC000079073604 436289391 /nfs/dbraw/zinc/28/93/91/436289391.db2.gz SZUUYCYFLGIIAA-JKSUJKDBSA-N 2 2 330.480 0.813 10 0 ECAELP C[C@H]1C[C@@H]([NH2+]CCN2CCN(c3ncccn3)CC2)C[N@H+]1C1CC1 ZINC000079073604 436289396 /nfs/dbraw/zinc/28/93/96/436289396.db2.gz SZUUYCYFLGIIAA-JKSUJKDBSA-N 2 2 330.480 0.813 10 0 ECAELP C[N@@H+]1CCO[C@H](CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000104789764 436562623 /nfs/dbraw/zinc/56/26/23/436562623.db2.gz WFTVOIIGPHCTMT-OAHLLOKOSA-N 2 2 333.436 0.680 10 0 ECAELP C[N@H+]1CCO[C@H](CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000104789764 436562630 /nfs/dbraw/zinc/56/26/30/436562630.db2.gz WFTVOIIGPHCTMT-OAHLLOKOSA-N 2 2 333.436 0.680 10 0 ECAELP C[N@@H+]1CCO[C@H](CNC(=O)NCC[NH+]2CCc3sccc3C2)C1 ZINC000104791452 436563542 /nfs/dbraw/zinc/56/35/42/436563542.db2.gz KRAOELRFUZHZMY-CQSZACIVSA-N 2 2 338.477 0.736 10 0 ECAELP C[N@H+]1CCO[C@H](CNC(=O)NCC[NH+]2CCc3sccc3C2)C1 ZINC000104791452 436563546 /nfs/dbraw/zinc/56/35/46/436563546.db2.gz KRAOELRFUZHZMY-CQSZACIVSA-N 2 2 338.477 0.736 10 0 ECAELP C[NH+]1CCO[C@H](CNC(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000104791452 436563548 /nfs/dbraw/zinc/56/35/48/436563548.db2.gz KRAOELRFUZHZMY-CQSZACIVSA-N 2 2 338.477 0.736 10 0 ECAELP C[NH+]1CCO[C@H](CNC(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000104791452 436563552 /nfs/dbraw/zinc/56/35/52/436563552.db2.gz KRAOELRFUZHZMY-CQSZACIVSA-N 2 2 338.477 0.736 10 0 ECAELP CN(C)CC[NH+]1CCC(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000105112139 436569882 /nfs/dbraw/zinc/56/98/82/436569882.db2.gz GHOKTZFUJKDKED-KRWDZBQOSA-N 2 2 337.512 0.892 10 0 ECAELP CN(C)CC[NH+]1CCC(NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC000105112139 436569883 /nfs/dbraw/zinc/56/98/83/436569883.db2.gz GHOKTZFUJKDKED-KRWDZBQOSA-N 2 2 337.512 0.892 10 0 ECAELP CC(C)c1nnc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)n1C ZINC000195519347 436693518 /nfs/dbraw/zinc/69/35/18/436693518.db2.gz WJCWIMOPRJXRSN-UHFFFAOYSA-N 2 2 336.484 0.828 10 0 ECAELP COC(=O)CCNC(=O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195286737 436685426 /nfs/dbraw/zinc/68/54/26/436685426.db2.gz ILHBWZBBTCCOOT-MRXNPFEDSA-N 2 2 348.447 0.515 10 0 ECAELP COC(=O)CCNC(=O)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195286737 436685427 /nfs/dbraw/zinc/68/54/27/436685427.db2.gz ILHBWZBBTCCOOT-MRXNPFEDSA-N 2 2 348.447 0.515 10 0 ECAELP COC(=O)CCNC(=O)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195286737 436685429 /nfs/dbraw/zinc/68/54/29/436685429.db2.gz ILHBWZBBTCCOOT-MRXNPFEDSA-N 2 2 348.447 0.515 10 0 ECAELP COC(=O)CCNC(=O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195286737 436685431 /nfs/dbraw/zinc/68/54/31/436685431.db2.gz ILHBWZBBTCCOOT-MRXNPFEDSA-N 2 2 348.447 0.515 10 0 ECAELP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000275360397 436960112 /nfs/dbraw/zinc/96/01/12/436960112.db2.gz AYXUHOQNEDONOT-HNNXBMFYSA-N 2 2 342.447 1.000 10 0 ECAELP CCCn1nnnc1CN(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000328603168 437240066 /nfs/dbraw/zinc/24/00/66/437240066.db2.gz FHLHEKHQERPTTF-CQSZACIVSA-N 2 2 344.467 0.961 10 0 ECAELP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC[C@H](n3cncn3)C2)CC1 ZINC000179316312 437259254 /nfs/dbraw/zinc/25/92/54/437259254.db2.gz GEUXQDULBFONLH-INIZCTEOSA-N 2 2 349.483 0.651 10 0 ECAELP CN1CC[NH+](CCC(C)(C)NC(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000185351770 437437274 /nfs/dbraw/zinc/43/72/74/437437274.db2.gz YFDRNHQAKRVLRT-HNNXBMFYSA-N 2 2 341.500 0.032 10 0 ECAELP CN1CC[NH+](CCC(C)(C)NC(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000185351770 437437278 /nfs/dbraw/zinc/43/72/78/437437278.db2.gz YFDRNHQAKRVLRT-HNNXBMFYSA-N 2 2 341.500 0.032 10 0 ECAELP COCCn1cc([C@H]2OCC[C@@H]2[NH2+]Cc2c[nH+]c(N(C)C)n2C)cn1 ZINC000888076037 586245534 /nfs/dbraw/zinc/24/55/34/586245534.db2.gz RDFKSKMUCMWANS-JKSUJKDBSA-N 2 2 348.451 0.949 10 0 ECAELP Cn1c[nH+]c([C@@H]2CN(Cc3ccc4oc(=O)n(C)c4c3)C[C@H]2[NH3+])c1 ZINC000864298587 590067188 /nfs/dbraw/zinc/06/71/88/590067188.db2.gz ROPPGLRJCBRCEO-CHWSQXEVSA-N 2 2 327.388 0.792 10 0 ECAELP CCCN1C(=O)C(=O)N(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)C1=O ZINC000176083025 608772309 /nfs/dbraw/zinc/77/23/09/608772309.db2.gz COZUWCVIXSHHSZ-ZDUSSCGKSA-N 2 2 333.392 0.814 10 0 ECAELP CCCN1C(=O)C(=O)N(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)C1=O ZINC000176083025 608772313 /nfs/dbraw/zinc/77/23/13/608772313.db2.gz COZUWCVIXSHHSZ-ZDUSSCGKSA-N 2 2 333.392 0.814 10 0 ECAELP Cc1ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c(C)[nH+]1 ZINC000154510211 224264680 /nfs/dbraw/zinc/26/46/80/224264680.db2.gz JGIDYAUTSHRFDR-CQSZACIVSA-N 2 2 334.420 0.600 10 0 ECAELP COC(=O)C1CCN(c2nc[nH+]c(NN3CC[NH+](C)CC3)c2N)CC1 ZINC000040757033 132406881 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349.479 0.435 10 0 ECAELP COc1ccc(C[NH+]2CCN(Cc3noc(C[NH3+])n3)CC2)cc1F ZINC000262242176 165314398 /nfs/dbraw/zinc/31/43/98/165314398.db2.gz PFZJJBMUZGSWII-UHFFFAOYSA-N 2 2 335.383 0.994 10 0 ECAELP C[NH2+][C@@H](C(=O)NCc1cccnc1-n1cc[nH+]c1)c1cnn(C)c1 ZINC000262441517 165350569 /nfs/dbraw/zinc/35/05/69/165350569.db2.gz UXQJLAVUFFXBRB-CQSZACIVSA-N 2 2 325.376 0.578 10 0 ECAELP C[C@@H]1C[C@H]([NH2+]CCN2CCN(c3ncccn3)CC2)C[N@@H+]1C1CC1 ZINC000079073587 436289508 /nfs/dbraw/zinc/28/95/08/436289508.db2.gz SZUUYCYFLGIIAA-CVEARBPZSA-N 2 2 330.480 0.813 10 0 ECAELP C[C@@H]1C[C@H]([NH2+]CCN2CCN(c3ncccn3)CC2)C[N@H+]1C1CC1 ZINC000079073587 436289513 /nfs/dbraw/zinc/28/95/13/436289513.db2.gz SZUUYCYFLGIIAA-CVEARBPZSA-N 2 2 330.480 0.813 10 0 ECAELP COCC[N@@H+]1CCN(Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@@H]1C ZINC000120827173 436700111 /nfs/dbraw/zinc/70/01/11/436700111.db2.gz VDPBGUMLPUSLBT-INIZCTEOSA-N 2 2 348.495 0.381 10 0 ECAELP COCC[N@H+]1CCN(Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@@H]1C ZINC000120827173 436700114 /nfs/dbraw/zinc/70/01/14/436700114.db2.gz VDPBGUMLPUSLBT-INIZCTEOSA-N 2 2 348.495 0.381 10 0 ECAELP O=C(NC[C@@H](O)C[NH+]1CCOCC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000245576198 436764994 /nfs/dbraw/zinc/76/49/94/436764994.db2.gz AYUTYBRKBXTRSK-NVXWUHKLSA-N 2 2 339.480 0.450 10 0 ECAELP O=C(NC[C@@H](O)C[NH+]1CCOCC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000245576198 436764997 /nfs/dbraw/zinc/76/49/97/436764997.db2.gz AYUTYBRKBXTRSK-NVXWUHKLSA-N 2 2 339.480 0.450 10 0 ECAELP C[NH+](C)[C@H](CNC(=O)NC[C@H]1C[N@H+](C)CCO1)c1cccs1 ZINC000246326340 436777464 /nfs/dbraw/zinc/77/74/64/436777464.db2.gz ALOTZUPRHBESJP-QWHCGFSZSA-N 2 2 326.466 0.981 10 0 ECAELP C[NH+](C)[C@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCO1)c1cccs1 ZINC000246326340 436777470 /nfs/dbraw/zinc/77/74/70/436777470.db2.gz ALOTZUPRHBESJP-QWHCGFSZSA-N 2 2 326.466 0.981 10 0 ECAELP CCC[C@H](C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)[NH+](C)C ZINC000162442338 436904436 /nfs/dbraw/zinc/90/44/36/436904436.db2.gz VTFBNZTXOCWLEE-JKSUJKDBSA-N 2 2 338.496 0.872 10 0 ECAELP COCCC[NH+]1CCC(NC(=O)NC[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000171195943 436972640 /nfs/dbraw/zinc/97/26/40/436972640.db2.gz QEVVKCBTNSPIBQ-OAHLLOKOSA-N 2 2 342.484 0.507 10 0 ECAELP COCC[NH+]1CCC(Nc2cc(N3CCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000171543531 436980994 /nfs/dbraw/zinc/98/09/94/436980994.db2.gz YHEMACCTLCGODN-OAHLLOKOSA-N 2 2 335.452 0.960 10 0 ECAELP COCC[NH+]1CCC(Nc2cc(N3CCC[C@@H]3CO)nc[nH+]2)CC1 ZINC000171543531 436980996 /nfs/dbraw/zinc/98/09/96/436980996.db2.gz YHEMACCTLCGODN-OAHLLOKOSA-N 2 2 335.452 0.960 10 0 ECAELP CCOCC[NH+]1CCN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)CC1 ZINC000174733803 437087159 /nfs/dbraw/zinc/08/71/59/437087159.db2.gz AGLFMLUVAJIYTM-HNNXBMFYSA-N 2 2 335.452 0.596 10 0 ECAELP C[C@@H](NC(=O)c1ccco1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177148690 437171174 /nfs/dbraw/zinc/17/11/74/437171174.db2.gz UMPYWLKPWJKVBU-CYBMUJFWSA-N 2 2 336.436 0.540 10 0 ECAELP C[C@H]([NH2+]CC(=O)N1CCNC(=O)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180651560 437299523 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0.680 10 0 ECAELP C[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)C1 ZINC000174651386 529781321 /nfs/dbraw/zinc/78/13/21/529781321.db2.gz BZZLGWYDWLJSSJ-DLBZAZTESA-N 2 2 333.432 0.195 10 0 ECAELP C[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)C1 ZINC000174651386 529781323 /nfs/dbraw/zinc/78/13/23/529781323.db2.gz BZZLGWYDWLJSSJ-DLBZAZTESA-N 2 2 333.432 0.195 10 0 ECAELP C[NH+]1CCN(Nc2[nH+]cnc(-n3nnc4ccccc43)c2N)CC1 ZINC000040757087 213383162 /nfs/dbraw/zinc/38/31/62/213383162.db2.gz WFYQFFMLEIZRKZ-UHFFFAOYSA-N 2 2 325.380 0.367 10 0 ECAELP C[NH+]1CCN(Nc2[nH+]cnc(NCC[NH+]3CCCCC3)c2N)CC1 ZINC000040756227 213383091 /nfs/dbraw/zinc/38/30/91/213383091.db2.gz AAQRAZKTCUAVRE-UHFFFAOYSA-N 3 2 334.472 0.531 10 0 ECAELP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@H](C)[NH+]2CCOCC2)C1 ZINC000247398568 165160328 /nfs/dbraw/zinc/16/03/28/165160328.db2.gz QXCFDVWGLRKEPR-HOTGVXAUSA-N 2 2 326.485 0.984 10 0 ECAELP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@H](C)[NH+]2CCOCC2)C1 ZINC000247398568 165160333 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C[NH2+][C@H](C(=O)NCc1cccnc1-n1cc[nH+]c1)c1cnn(C)c1 ZINC000262441514 165350191 /nfs/dbraw/zinc/35/01/91/165350191.db2.gz UXQJLAVUFFXBRB-AWEZNQCLSA-N 2 2 325.376 0.578 10 0 ECAELP C[N@H+](CC(=O)NC(=O)NC1CC1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000333137276 297113055 /nfs/dbraw/zinc/11/30/55/297113055.db2.gz JPPDHMZSFZRNNY-YOEHRIQHSA-N 2 2 345.447 0.994 10 0 ECAELP C[NH+](CC(=O)NC(=O)NC1CC1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000333137276 297113057 /nfs/dbraw/zinc/11/30/57/297113057.db2.gz JPPDHMZSFZRNNY-YOEHRIQHSA-N 2 2 345.447 0.994 10 0 ECAELP C[NH+](CC(=O)NC(=O)NC1CC1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000333137276 297113058 /nfs/dbraw/zinc/11/30/58/297113058.db2.gz JPPDHMZSFZRNNY-YOEHRIQHSA-N 2 2 345.447 0.994 10 0 ECAELP C[NH+]1CCN(c2nc3cccc(N)c3nc2N2CC[NH+](C)CC2)CC1 ZINC000026180921 436160541 /nfs/dbraw/zinc/16/05/41/436160541.db2.gz BAXLAJOXQYMMQH-UHFFFAOYSA-N 2 2 341.463 0.716 10 0 ECAELP CCCn1ccnc1C[N@@H+]1C[C@H](CO)[C@H](CN2CCC[NH+](C)CC2)C1 ZINC000091643382 436457441 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0 ECAELP CC[C@@H]1CN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)CC[N@@H+]1C[C@H](C)O ZINC000246029014 436772156 /nfs/dbraw/zinc/77/21/56/436772156.db2.gz ADNZPAOAWUZZOI-XHSDSOJGSA-N 2 2 349.479 0.719 10 0 ECAELP CC[C@@H]1CN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)CC[N@H+]1C[C@H](C)O ZINC000246029014 436772159 /nfs/dbraw/zinc/77/21/59/436772159.db2.gz ADNZPAOAWUZZOI-XHSDSOJGSA-N 2 2 349.479 0.719 10 0 ECAELP CC[C@@H]1CN(C(=O)N[C@H](C)C[NH+]2CCOCC2)CC[N@@H+]1C[C@H](C)O ZINC000248450213 436803951 /nfs/dbraw/zinc/80/39/51/436803951.db2.gz IVGVWNOXKCCSJG-OWCLPIDISA-N 2 2 342.484 0.194 10 0 ECAELP CC[C@@H]1CN(C(=O)N[C@H](C)C[NH+]2CCOCC2)CC[N@H+]1C[C@H](C)O ZINC000248450213 436803953 /nfs/dbraw/zinc/80/39/53/436803953.db2.gz IVGVWNOXKCCSJG-OWCLPIDISA-N 2 2 342.484 0.194 10 0 ECAELP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](C)[NH+]2CCOCC2)C1 ZINC000157228462 436824879 /nfs/dbraw/zinc/82/48/79/436824879.db2.gz QXCFDVWGLRKEPR-CVEARBPZSA-N 2 2 326.485 0.984 10 0 ECAELP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@@H](C)[NH+]2CCOCC2)C1 ZINC000157228462 436824881 /nfs/dbraw/zinc/82/48/81/436824881.db2.gz QXCFDVWGLRKEPR-CVEARBPZSA-N 2 2 326.485 0.984 10 0 ECAELP CO[C@@H]1C[C@@H](CO)[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000284667047 437059088 /nfs/dbraw/zinc/05/90/88/437059088.db2.gz QRZTZIXKJMXLQT-JKSUJKDBSA-N 2 2 348.447 0.202 10 0 ECAELP CO[C@@H]1C[C@@H](CO)[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000284667047 437059091 /nfs/dbraw/zinc/05/90/91/437059091.db2.gz QRZTZIXKJMXLQT-JKSUJKDBSA-N 2 2 348.447 0.202 10 0 ECAELP CC(C)(CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[NH+]1CCOCC1 ZINC000173765320 437062197 /nfs/dbraw/zinc/06/21/97/437062197.db2.gz DYYNUPCQMPIOSJ-OAHLLOKOSA-N 2 2 340.468 0.213 10 0 ECAELP C[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CCCN(c2cccnn2)C1 ZINC000180475992 437292330 /nfs/dbraw/zinc/29/23/30/437292330.db2.gz ZIUDQNDVXQWCJJ-HNNXBMFYSA-N 2 2 332.452 0.151 10 0 ECAELP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CCCN(c2cccnn2)C1 ZINC000180475992 437292334 /nfs/dbraw/zinc/29/23/34/437292334.db2.gz ZIUDQNDVXQWCJJ-HNNXBMFYSA-N 2 2 332.452 0.151 10 0 ECAELP CC(C)n1nnnc1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182618985 437356385 /nfs/dbraw/zinc/35/63/85/437356385.db2.gz FEVZLFSDZHHGLV-XYPWUTKMSA-N 2 2 333.484 0.997 10 0 ECAELP CC(C)n1nnnc1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182618985 437356389 /nfs/dbraw/zinc/35/63/89/437356389.db2.gz FEVZLFSDZHHGLV-XYPWUTKMSA-N 2 2 333.484 0.997 10 0 ECAELP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000638075813 440427264 /nfs/dbraw/zinc/42/72/64/440427264.db2.gz UFEHPWORWJLADK-CGTJXYLNSA-N 2 2 347.459 0.852 10 0 ECAELP CC[NH+]1CCN(CCC(=O)N2C[C@H](OC)C[C@H]2c2[nH]cc[nH+]2)CC1 ZINC000644119163 440444915 /nfs/dbraw/zinc/44/49/15/440444915.db2.gz KGDJECDFZIYDJZ-CABCVRRESA-N 2 2 335.452 0.726 10 0 ECAELP Cc1cc(N2CCN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)CC2)nc(C(C)C)[nH+]1 ZINC000163910434 533898326 /nfs/dbraw/zinc/89/83/26/533898326.db2.gz MANFKDGMJHMPCG-KBPBESRZSA-N 2 2 333.436 0.280 10 0 ECAELP CC(C)N1CC[NH+](CCC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)CC1 ZINC000900842825 586669245 /nfs/dbraw/zinc/66/92/45/586669245.db2.gz AKRVLCYGHKWIKE-IAGOWNOFSA-N 2 2 340.512 0.316 10 0 ECAELP CC(C)N1CC[NH+](CCC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)CC1 ZINC000900842832 586669307 /nfs/dbraw/zinc/66/93/07/586669307.db2.gz AKRVLCYGHKWIKE-SJORKVTESA-N 2 2 340.512 0.316 10 0 ECAELP CCCN1C(=O)C(=O)N(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)C1=O ZINC000176082998 609084970 /nfs/dbraw/zinc/08/49/70/609084970.db2.gz COZUWCVIXSHHSZ-CYBMUJFWSA-N 2 2 333.392 0.814 10 0 ECAELP CCCN1C(=O)C(=O)N(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)C1=O ZINC000176082998 609084972 /nfs/dbraw/zinc/08/49/72/609084972.db2.gz COZUWCVIXSHHSZ-CYBMUJFWSA-N 2 2 333.392 0.814 10 0 ECAELP CCC(CC)[C@H](C(=O)N1CCO[C@@H](C[NH+](C)C)C1)[NH+]1CCOCC1 ZINC000173791487 282250223 /nfs/dbraw/zinc/25/02/23/282250223.db2.gz ZIYSFKFSPOCBFO-DLBZAZTESA-N 2 2 341.496 0.912 10 0 ECAELP CCc1[nH+]c(N)nc(N2CCCO[C@@H](C[NH+]3CCOCC3)C2)c1C ZINC000095366774 218299323 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346.475 0.878 10 0 ECAELP CCn1c(C)nnc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261964189 436897289 /nfs/dbraw/zinc/89/72/89/436897289.db2.gz AMJRVQALVLADPJ-LSDHHAIUSA-N 2 2 334.468 0.687 10 0 ECAELP CCn1c(C)nnc1C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261964189 436897292 /nfs/dbraw/zinc/89/72/92/436897292.db2.gz AMJRVQALVLADPJ-LSDHHAIUSA-N 2 2 334.468 0.687 10 0 ECAELP CCC(CC)[C@@H](C(=O)NC[C@@H]1C[N@H+](C)CCO1)[NH+]1CCOCC1 ZINC000173337762 437046749 /nfs/dbraw/zinc/04/67/49/437046749.db2.gz MYNSXNTVKUKFDG-CVEARBPZSA-N 2 2 327.469 0.570 10 0 ECAELP CCC(CC)[C@@H](C(=O)NC[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCOCC1 ZINC000173337762 437046751 /nfs/dbraw/zinc/04/67/51/437046751.db2.gz MYNSXNTVKUKFDG-CVEARBPZSA-N 2 2 327.469 0.570 10 0 ECAELP C[C@@H](O)C[N@@H+]1CCN(C(=O)CCCC[NH+]2CCOCC2)C[C@@H]1C ZINC000174333567 437078920 /nfs/dbraw/zinc/07/89/20/437078920.db2.gz WDJKRAUMLOGPCO-JKSUJKDBSA-N 2 2 327.469 0.402 10 0 ECAELP C[C@@H](O)C[N@H+]1CCN(C(=O)CCCC[NH+]2CCOCC2)C[C@@H]1C ZINC000174333567 437078925 /nfs/dbraw/zinc/07/89/25/437078925.db2.gz WDJKRAUMLOGPCO-JKSUJKDBSA-N 2 2 327.469 0.402 10 0 ECAELP COCCCS(=O)(=O)NCC[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178336900 437212654 /nfs/dbraw/zinc/21/26/54/437212654.db2.gz SOXLSHPCFACYOM-OAHLLOKOSA-N 2 2 344.481 0.612 10 0 ECAELP C[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000180475976 437291662 /nfs/dbraw/zinc/29/16/62/437291662.db2.gz ZIUDQNDVXQWCJJ-OAHLLOKOSA-N 2 2 332.452 0.151 10 0 ECAELP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000180475976 437291666 /nfs/dbraw/zinc/29/16/66/437291666.db2.gz ZIUDQNDVXQWCJJ-OAHLLOKOSA-N 2 2 332.452 0.151 10 0 ECAELP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000261597736 545946220 /nfs/dbraw/zinc/94/62/20/545946220.db2.gz AHUYERQXWIEATP-OIPACUDHSA-N 2 2 337.464 0.452 10 0 ECAELP C[NH+]1CCN(Cc2cccc(C(=O)NC[C@@H]3C[N@H+](C)CCO3)c2)CC1 ZINC000174392587 529774214 /nfs/dbraw/zinc/77/42/14/529774214.db2.gz OQEHUXHTAXQBQY-GOSISDBHSA-N 2 2 346.475 0.494 10 0 ECAELP C[NH+]1CCN(Cc2cccc(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)c2)CC1 ZINC000174392587 529774216 /nfs/dbraw/zinc/77/42/16/529774216.db2.gz OQEHUXHTAXQBQY-GOSISDBHSA-N 2 2 346.475 0.494 10 0 ECAELP COCC[N@@H+]1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@@H]1C ZINC000117469965 221066562 /nfs/dbraw/zinc/06/65/62/221066562.db2.gz VVJWZZQTOMPLFS-HNNXBMFYSA-N 2 2 342.484 0.459 10 0 ECAELP COCC[N@H+]1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@@H]1C ZINC000117469965 221066565 /nfs/dbraw/zinc/06/65/65/221066565.db2.gz VVJWZZQTOMPLFS-HNNXBMFYSA-N 2 2 342.484 0.459 10 0 ECAELP C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2)[NH+]1CCOCC1 ZINC000193917416 165061884 /nfs/dbraw/zinc/06/18/84/165061884.db2.gz FVXTXDBNUDKKAE-ZDUSSCGKSA-N 2 2 346.431 0.407 10 0 ECAELP C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2)[NH+]1CCOCC1 ZINC000193917416 165061889 /nfs/dbraw/zinc/06/18/89/165061889.db2.gz FVXTXDBNUDKKAE-ZDUSSCGKSA-N 2 2 346.431 0.407 10 0 ECAELP COCC[N@@H+]1CCN(C(=O)N[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC000246926547 165148634 /nfs/dbraw/zinc/14/86/34/165148634.db2.gz BNYQJXAAQCEOLL-HUUCEWRRSA-N 2 2 328.457 0.069 10 0 ECAELP COCC[N@H+]1CCN(C(=O)N[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC000246926547 165148639 /nfs/dbraw/zinc/14/86/39/165148639.db2.gz BNYQJXAAQCEOLL-HUUCEWRRSA-N 2 2 328.457 0.069 10 0 ECAELP Cc1cccc([C@@H](CNC(=O)C2([NH3+])CCOCC2)[NH+]2CCOCC2)c1 ZINC000261911978 165261846 /nfs/dbraw/zinc/26/18/46/165261846.db2.gz TXLQCGMQOIMXIM-QGZVFWFLSA-N 2 2 347.459 0.992 10 0 ECAELP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000176339624 279325503 /nfs/dbraw/zinc/32/55/03/279325503.db2.gz RAIHADYDVCLXFO-HOTGVXAUSA-N 2 2 325.501 0.748 10 0 ECAELP CC[N@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000176339624 279325505 /nfs/dbraw/zinc/32/55/05/279325505.db2.gz RAIHADYDVCLXFO-HOTGVXAUSA-N 2 2 325.501 0.748 10 0 ECAELP Cn1cc([C@@H]2CC[N@H+](CC(=O)NCC(C)(C)[NH+]3CCOCC3)C2)cn1 ZINC000116314558 436649869 /nfs/dbraw/zinc/64/98/69/436649869.db2.gz PPWAYVCKPHQIEN-OAHLLOKOSA-N 2 2 349.479 0.436 10 0 ECAELP Cn1cc([C@@H]2CC[N@@H+](CC(=O)NCC(C)(C)[NH+]3CCOCC3)C2)cn1 ZINC000116314558 436649870 /nfs/dbraw/zinc/64/98/70/436649870.db2.gz PPWAYVCKPHQIEN-OAHLLOKOSA-N 2 2 349.479 0.436 10 0 ECAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(=O)N2CCNC2=O)C1 ZINC000195300963 436688886 /nfs/dbraw/zinc/68/88/86/436688886.db2.gz IHTKVBLTEFWXRK-OAHLLOKOSA-N 2 2 331.420 0.387 10 0 ECAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(=O)N2CCNC2=O)C1 ZINC000195300963 436688888 /nfs/dbraw/zinc/68/88/88/436688888.db2.gz IHTKVBLTEFWXRK-OAHLLOKOSA-N 2 2 331.420 0.387 10 0 ECAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CC(=O)N2CCNC2=O)C1 ZINC000195300963 436688890 /nfs/dbraw/zinc/68/88/90/436688890.db2.gz IHTKVBLTEFWXRK-OAHLLOKOSA-N 2 2 331.420 0.387 10 0 ECAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CC(=O)N2CCNC2=O)C1 ZINC000195300963 436688893 /nfs/dbraw/zinc/68/88/93/436688893.db2.gz IHTKVBLTEFWXRK-OAHLLOKOSA-N 2 2 331.420 0.387 10 0 ECAELP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000121157450 436708527 /nfs/dbraw/zinc/70/85/27/436708527.db2.gz KOLAMIYWYYBTRB-AWEZNQCLSA-N 2 2 340.468 0.750 10 0 ECAELP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000121157450 436708530 /nfs/dbraw/zinc/70/85/30/436708530.db2.gz KOLAMIYWYYBTRB-AWEZNQCLSA-N 2 2 340.468 0.750 10 0 ECAELP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000138977797 436662974 /nfs/dbraw/zinc/66/29/74/436662974.db2.gz CYJCRWIEGKUNQH-GJZGRUSLSA-N 2 2 335.452 0.715 10 0 ECAELP CC[C@@H]1CN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)CC[N@@H+]1C[C@@H](C)O ZINC000246029011 436771789 /nfs/dbraw/zinc/77/17/89/436771789.db2.gz ADNZPAOAWUZZOI-OAGGEKHMSA-N 2 2 349.479 0.719 10 0 ECAELP CC[C@@H]1CN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)CC[N@H+]1C[C@@H](C)O ZINC000246029011 436771792 /nfs/dbraw/zinc/77/17/92/436771792.db2.gz ADNZPAOAWUZZOI-OAGGEKHMSA-N 2 2 349.479 0.719 10 0 ECAELP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000262290025 436921395 /nfs/dbraw/zinc/92/13/95/436921395.db2.gz NHTYEEVMABANLE-PMPSAXMXSA-N 2 2 336.480 0.659 10 0 ECAELP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263235250 436956822 /nfs/dbraw/zinc/95/68/22/436956822.db2.gz NWAVGIGFPYHAQR-ZIAGYGMSSA-N 2 2 330.423 0.612 10 0 ECAELP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263235250 436956824 /nfs/dbraw/zinc/95/68/24/436956824.db2.gz NWAVGIGFPYHAQR-ZIAGYGMSSA-N 2 2 330.423 0.612 10 0 ECAELP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000174494492 437081034 /nfs/dbraw/zinc/08/10/34/437081034.db2.gz FGVVSEKJAFKMRC-DLBZAZTESA-N 2 2 339.480 0.713 10 0 ECAELP CC(C)OCC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000176332640 437140047 /nfs/dbraw/zinc/14/00/47/437140047.db2.gz YGLDPXOWAHMXOI-MRXNPFEDSA-N 2 2 342.484 0.506 10 0 ECAELP CC(C)OCC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000176332640 437140049 /nfs/dbraw/zinc/14/00/49/437140049.db2.gz YGLDPXOWAHMXOI-MRXNPFEDSA-N 2 2 342.484 0.506 10 0 ECAELP COCC(=O)NC1C[NH+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000185089388 437424849 /nfs/dbraw/zinc/42/48/49/437424849.db2.gz HGMJAXLTCTVYRM-HNNXBMFYSA-N 2 2 346.431 0.461 10 0 ECAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2CCCS(=O)(=O)C2)nc[nH+]1 ZINC000183216218 437379297 /nfs/dbraw/zinc/37/92/97/437379297.db2.gz DXIKNAWQGJZXHM-CHWSQXEVSA-N 2 2 339.465 0.654 10 0 ECAELP CN1CCO[C@@H](C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000681711920 549291571 /nfs/dbraw/zinc/29/15/71/549291571.db2.gz VIMGRLOZMOUQIB-MOPGFXCFSA-N 2 2 333.476 0.886 10 0 ECAELP CN(C[C@H]1C[N@H+](C)CCO1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000681711920 549291562 /nfs/dbraw/zinc/29/15/62/549291562.db2.gz VIMGRLOZMOUQIB-MOPGFXCFSA-N 2 2 333.476 0.886 10 0 ECAELP CN(C[C@H]1C[N@@H+](C)CCO1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000681711920 549291564 /nfs/dbraw/zinc/29/15/64/549291564.db2.gz VIMGRLOZMOUQIB-MOPGFXCFSA-N 2 2 333.476 0.886 10 0 ECAELP CN(C[C@H]1C[NH+](C)CCO1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000681711920 549291567 /nfs/dbraw/zinc/29/15/67/549291567.db2.gz VIMGRLOZMOUQIB-MOPGFXCFSA-N 2 2 333.476 0.886 10 0 ECAELP CN(C[C@H]1C[NH+](C)CCO1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000681711920 549291568 /nfs/dbraw/zinc/29/15/68/549291568.db2.gz VIMGRLOZMOUQIB-MOPGFXCFSA-N 2 2 333.476 0.886 10 0 ECAELP CN1CCO[C@@H](C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000681711920 549291574 /nfs/dbraw/zinc/29/15/74/549291574.db2.gz VIMGRLOZMOUQIB-MOPGFXCFSA-N 2 2 333.476 0.886 10 0 ECAELP CN1CCO[C@@H](C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000681711920 549291576 /nfs/dbraw/zinc/29/15/76/549291576.db2.gz VIMGRLOZMOUQIB-MOPGFXCFSA-N 2 2 333.476 0.886 10 0 ECAELP CN1CCO[C@@H](C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000681711920 549291577 /nfs/dbraw/zinc/29/15/77/549291577.db2.gz VIMGRLOZMOUQIB-MOPGFXCFSA-N 2 2 333.476 0.886 10 0 ECAELP C[NH+](C)Cc1cn([C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)nn1 ZINC000072148233 610043065 /nfs/dbraw/zinc/04/30/65/610043065.db2.gz ZXJXLLDHFKPRSX-SJORKVTESA-N 2 2 327.432 0.925 10 0 ECAELP CCCCOC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000195184369 165077504 /nfs/dbraw/zinc/07/75/04/165077504.db2.gz XMDQOMUZQHGNGC-CVEARBPZSA-N 2 2 327.469 0.402 10 0 ECAELP CCCCOC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000195184369 165077505 /nfs/dbraw/zinc/07/75/05/165077505.db2.gz XMDQOMUZQHGNGC-CVEARBPZSA-N 2 2 327.469 0.402 10 0 ECAELP C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2noc(C[NH3+])n2)CC1 ZINC000262208524 165308335 /nfs/dbraw/zinc/30/83/35/165308335.db2.gz LGKIVHSBQWRGNU-LBPRGKRZSA-N 2 2 336.440 0.093 10 0 ECAELP CCOC(=O)c1nn(-c2ccccc2)cc1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000263216956 165425050 /nfs/dbraw/zinc/42/50/50/165425050.db2.gz LAEOXYUEZYWUIU-BBRMVZONSA-N 2 2 344.415 0.719 10 0 ECAELP C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)C[C@H]1C ZINC000174352478 533688013 /nfs/dbraw/zinc/68/80/13/533688013.db2.gz FHEJHPCIDMWQSD-ZIAGYGMSSA-N 2 2 329.404 0.794 10 0 ECAELP C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)C[C@H]1C ZINC000174352478 533688019 /nfs/dbraw/zinc/68/80/19/533688019.db2.gz FHEJHPCIDMWQSD-ZIAGYGMSSA-N 2 2 329.404 0.794 10 0 ECAELP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000261759858 279189227 /nfs/dbraw/zinc/18/92/27/279189227.db2.gz JQUSLABQJKARII-BZUAXINKSA-N 2 2 336.480 0.517 10 0 ECAELP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000247969467 297098661 /nfs/dbraw/zinc/09/86/61/297098661.db2.gz FIRVDFJDXQZGIQ-WBVHZDCISA-N 3 2 337.512 0.891 10 0 ECAELP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000247969467 297098664 /nfs/dbraw/zinc/09/86/64/297098664.db2.gz FIRVDFJDXQZGIQ-WBVHZDCISA-N 3 2 337.512 0.891 10 0 ECAELP C[C@@H]1C[C@@H]([NH2+]CCN2CCN(c3ncccn3)CC2)C[N@@H+]1C1CC1 ZINC000079073597 436289057 /nfs/dbraw/zinc/28/90/57/436289057.db2.gz SZUUYCYFLGIIAA-HZPDHXFCSA-N 2 2 330.480 0.813 10 0 ECAELP C[C@@H]1C[C@@H]([NH2+]CCN2CCN(c3ncccn3)CC2)C[N@H+]1C1CC1 ZINC000079073597 436289062 /nfs/dbraw/zinc/28/90/62/436289062.db2.gz SZUUYCYFLGIIAA-HZPDHXFCSA-N 2 2 330.480 0.813 10 0 ECAELP C[NH+]1CCN([C@@H](C(=O)NC[C@H]2C[N@H+](C)CCO2)c2ccccc2)CC1 ZINC000104873911 436566403 /nfs/dbraw/zinc/56/64/03/436566403.db2.gz GXKNCWVVVDAQOS-ZWKOTPCHSA-N 2 2 346.475 0.422 10 0 ECAELP C[NH+]1CCN([C@@H](C(=O)NC[C@H]2C[N@@H+](C)CCO2)c2ccccc2)CC1 ZINC000104873911 436566407 /nfs/dbraw/zinc/56/64/07/436566407.db2.gz GXKNCWVVVDAQOS-ZWKOTPCHSA-N 2 2 346.475 0.422 10 0 ECAELP C[C@H](CNC(=O)N1CCC([N@H+](C)CCCO)CC1)[NH+]1CCOCC1 ZINC000153463714 436756957 /nfs/dbraw/zinc/75/69/57/436756957.db2.gz KHBAWWCEHJDAAG-OAHLLOKOSA-N 2 2 342.484 0.195 10 0 ECAELP C[C@H](CNC(=O)N1CCC([N@@H+](C)CCCO)CC1)[NH+]1CCOCC1 ZINC000153463714 436756960 /nfs/dbraw/zinc/75/69/60/436756960.db2.gz KHBAWWCEHJDAAG-OAHLLOKOSA-N 2 2 342.484 0.195 10 0 ECAELP C[N@@H+]1CCN(c2ncc(I)cn2)[C@H](C[NH3+])C1 ZINC000126277826 436785448 /nfs/dbraw/zinc/78/54/48/436785448.db2.gz YZJPNWUFHJUMDT-SECBINFHSA-N 2 2 333.177 0.160 10 0 ECAELP C[N@H+]1CCN(c2ncc(I)cn2)[C@H](C[NH3+])C1 ZINC000126277826 436785452 /nfs/dbraw/zinc/78/54/52/436785452.db2.gz YZJPNWUFHJUMDT-SECBINFHSA-N 2 2 333.177 0.160 10 0 ECAELP COCC[NH2+]CC(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000168180518 436940972 /nfs/dbraw/zinc/94/09/72/436940972.db2.gz TZLKSVINRUGJRE-AWEZNQCLSA-N 2 2 341.477 0.816 10 0 ECAELP O=C(C1C[NH2+]C1)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000263265489 436959290 /nfs/dbraw/zinc/95/92/90/436959290.db2.gz HFQPILSMZKCDQH-UHFFFAOYSA-N 2 2 333.823 0.851 10 0 ECAELP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000173749266 437062880 /nfs/dbraw/zinc/06/28/80/437062880.db2.gz AQNNMWXEARTGEW-DLBZAZTESA-N 2 2 343.475 0.899 10 0 ECAELP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000173749266 437062881 /nfs/dbraw/zinc/06/28/81/437062881.db2.gz AQNNMWXEARTGEW-DLBZAZTESA-N 2 2 343.475 0.899 10 0 ECAELP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000179295029 437258016 /nfs/dbraw/zinc/25/80/16/437258016.db2.gz XIKQDPYNVPENDL-KRWDZBQOSA-N 3 2 337.512 0.892 10 0 ECAELP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC000179295029 437258021 /nfs/dbraw/zinc/25/80/21/437258021.db2.gz XIKQDPYNVPENDL-KRWDZBQOSA-N 3 2 337.512 0.892 10 0 ECAELP CC[C@@H](O)C[NH+]1CCN(C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000184858135 437416173 /nfs/dbraw/zinc/41/61/73/437416173.db2.gz UEAFRFVYHDLDPK-OAHLLOKOSA-N 2 2 335.452 0.982 10 0 ECAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)CS(C)(=O)=O)nc[nH+]1 ZINC000183216303 437379033 /nfs/dbraw/zinc/37/90/33/437379033.db2.gz PQAFRZSLHKDLQA-NWDGAFQWSA-N 2 2 327.454 0.510 10 0 ECAELP C[N@@H+]1CCN(c2ccc(I)cn2)[C@H](C[NH3+])C1 ZINC000591433270 439014489 /nfs/dbraw/zinc/01/44/89/439014489.db2.gz QGLRFYKJIOLIHK-SNVBAGLBSA-N 2 2 332.189 0.765 10 0 ECAELP C[N@H+]1CCN(c2ccc(I)cn2)[C@H](C[NH3+])C1 ZINC000591433270 439014493 /nfs/dbraw/zinc/01/44/93/439014493.db2.gz QGLRFYKJIOLIHK-SNVBAGLBSA-N 2 2 332.189 0.765 10 0 ECAELP O=C1[C@@H]2CC=CC[C@H]2C(=O)N1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000077442491 612066435 /nfs/dbraw/zinc/06/64/35/612066435.db2.gz OQMVCWFZYDMQCR-IAGOWNOFSA-N 2 2 347.459 0.939 10 0 ECAELP CN(C[C@@H]1C[N@H+](CCCn2cc[nH+]c2)CCO1)c1nccn(C)c1=O ZINC000328654934 258018793 /nfs/dbraw/zinc/01/87/93/258018793.db2.gz XVTKTIVCHUVHBI-OAHLLOKOSA-N 2 2 346.435 0.204 10 0 ECAELP CN(C[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)CCO1)c1nccn(C)c1=O ZINC000328654934 258018795 /nfs/dbraw/zinc/01/87/95/258018795.db2.gz XVTKTIVCHUVHBI-OAHLLOKOSA-N 2 2 346.435 0.204 10 0 ECAELP O=C(CN1CC[N@@H+]2CCC[C@H]2C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000245947593 165119399 /nfs/dbraw/zinc/11/93/99/165119399.db2.gz XKDPNGMVZGUHRL-INIZCTEOSA-N 2 2 332.448 0.704 10 0 ECAELP O=C(CN1CC[N@H+]2CCC[C@H]2C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000245947593 165119404 /nfs/dbraw/zinc/11/94/04/165119404.db2.gz XKDPNGMVZGUHRL-INIZCTEOSA-N 2 2 332.448 0.704 10 0 ECAELP OC(CN1CC[N@@H+]2CCCC[C@@H]2C1)C[NH+]1CCN2CCCC[C@@H]2C1 ZINC000248756376 165185437 /nfs/dbraw/zinc/18/54/37/165185437.db2.gz WSOWFTANSAIEOW-QZTJIDSGSA-N 2 2 336.524 0.688 10 0 ECAELP OC(CN1CC[N@H+]2CCCC[C@@H]2C1)C[NH+]1CCN2CCCC[C@@H]2C1 ZINC000248756376 165185439 /nfs/dbraw/zinc/18/54/39/165185439.db2.gz WSOWFTANSAIEOW-QZTJIDSGSA-N 2 2 336.524 0.688 10 0 ECAELP OC(CN1CC[NH+]2CCCC[C@@H]2C1)C[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000248756376 165185440 /nfs/dbraw/zinc/18/54/40/165185440.db2.gz WSOWFTANSAIEOW-QZTJIDSGSA-N 2 2 336.524 0.688 10 0 ECAELP OC(CN1CC[NH+]2CCCC[C@@H]2C1)C[N@H+]1CCN2CCCC[C@@H]2C1 ZINC000248756376 165185443 /nfs/dbraw/zinc/18/54/43/165185443.db2.gz WSOWFTANSAIEOW-QZTJIDSGSA-N 2 2 336.524 0.688 10 0 ECAELP Cc1csc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)n1 ZINC000261937519 165265756 /nfs/dbraw/zinc/26/57/56/165265756.db2.gz KQNZHRAMSZYMNA-NSHDSACASA-N 2 2 325.438 0.177 10 0 ECAELP Cc1csc(NC(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)n1 ZINC000261937519 165265757 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10 0 ECAELP COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000189989251 437614206 /nfs/dbraw/zinc/61/42/06/437614206.db2.gz WYHKEWXWDICKSW-QGZVFWFLSA-N 2 2 333.436 0.756 10 0 ECAELP C[NH+]1CCN([C@H](C(=O)NC[C@H]2C[N@H+](C)CCO2)c2ccccc2)CC1 ZINC000104873910 290055893 /nfs/dbraw/zinc/05/58/93/290055893.db2.gz GXKNCWVVVDAQOS-ROUUACIJSA-N 2 2 346.475 0.422 10 0 ECAELP C[NH+]1CCN([C@H](C(=O)NC[C@H]2C[N@@H+](C)CCO2)c2ccccc2)CC1 ZINC000104873910 290055897 /nfs/dbraw/zinc/05/58/97/290055897.db2.gz GXKNCWVVVDAQOS-ROUUACIJSA-N 2 2 346.475 0.422 10 0 ECAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000105845542 436581249 /nfs/dbraw/zinc/58/12/49/436581249.db2.gz DLCMSCRXPKWALM-INIZCTEOSA-N 2 2 340.512 0.628 10 0 ECAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000105845542 436581251 /nfs/dbraw/zinc/58/12/51/436581251.db2.gz DLCMSCRXPKWALM-INIZCTEOSA-N 2 2 340.512 0.628 10 0 ECAELP C[N@H+](CC(=O)NC1CCOCC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863666 436581454 /nfs/dbraw/zinc/58/14/54/436581454.db2.gz SWAYMYMUJHNCGI-UHFFFAOYSA-N 2 2 349.479 0.575 10 0 ECAELP C[N@@H+](CC(=O)NC1CCOCC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863666 436581456 /nfs/dbraw/zinc/58/14/56/436581456.db2.gz SWAYMYMUJHNCGI-UHFFFAOYSA-N 2 2 349.479 0.575 10 0 ECAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(=O)N2CCOCC2)C1 ZINC000195273797 436685935 /nfs/dbraw/zinc/68/59/35/436685935.db2.gz LFTCREPWTHFYDL-QGZVFWFLSA-N 2 2 332.448 0.694 10 0 ECAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(=O)N2CCOCC2)C1 ZINC000195273797 436685940 /nfs/dbraw/zinc/68/59/40/436685940.db2.gz LFTCREPWTHFYDL-QGZVFWFLSA-N 2 2 332.448 0.694 10 0 ECAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000195273797 436685943 /nfs/dbraw/zinc/68/59/43/436685943.db2.gz LFTCREPWTHFYDL-QGZVFWFLSA-N 2 2 332.448 0.694 10 0 ECAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000195273797 436685944 /nfs/dbraw/zinc/68/59/44/436685944.db2.gz LFTCREPWTHFYDL-QGZVFWFLSA-N 2 2 332.448 0.694 10 0 ECAELP C[N@H+](CCCO)C1CCN(c2cc(N3CCC[C@H]3CO)nc[nH+]2)CC1 ZINC000246680734 436784021 /nfs/dbraw/zinc/78/40/21/436784021.db2.gz CEHWUDKJVZVOHW-INIZCTEOSA-N 2 2 349.479 0.721 10 0 ECAELP C[N@@H+](CCCO)C1CCN(c2cc(N3CCC[C@H]3CO)nc[nH+]2)CC1 ZINC000246680734 436784024 /nfs/dbraw/zinc/78/40/24/436784024.db2.gz CEHWUDKJVZVOHW-INIZCTEOSA-N 2 2 349.479 0.721 10 0 ECAELP C[N@H+](CCCO)C1CCN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)CC1 ZINC000246680734 436784027 /nfs/dbraw/zinc/78/40/27/436784027.db2.gz CEHWUDKJVZVOHW-INIZCTEOSA-N 2 2 349.479 0.721 10 0 ECAELP C[N@@H+](CCCO)C1CCN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)CC1 ZINC000246680734 436784029 /nfs/dbraw/zinc/78/40/29/436784029.db2.gz CEHWUDKJVZVOHW-INIZCTEOSA-N 2 2 349.479 0.721 10 0 ECAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](Nc2cc(N3CCN(C)C(=O)C3)[nH+]cn2)C1 ZINC000274823755 436880025 /nfs/dbraw/zinc/88/00/25/436880025.db2.gz BZCUGXDZHFLBGB-ZIAGYGMSSA-N 2 2 332.452 0.896 10 0 ECAELP CC(C)[N@H+]1C[C@@H](C)[C@H](Nc2cc(N3CCN(C)C(=O)C3)[nH+]cn2)C1 ZINC000274823755 436880029 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ECAELP CO[C@H]1C[C@@H](C[NH+](C)C)N(c2cc(NCc3nnc(C)o3)[nH+]cn2)C1 ZINC000685942853 549728774 /nfs/dbraw/zinc/72/87/74/549728774.db2.gz RQSHYNRMKRJHFI-STQMWFEESA-N 2 2 347.423 0.935 10 0 ECAELP CC[C@@H](O)C[NH+]1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC000896210899 586227577 /nfs/dbraw/zinc/22/75/77/586227577.db2.gz OXLNSIVRGZNMQI-CZUORRHYSA-N 2 2 335.452 0.705 10 0 ECAELP CC[C@@H](O)C[NH+]1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC000896210899 586227580 /nfs/dbraw/zinc/22/75/80/586227580.db2.gz OXLNSIVRGZNMQI-CZUORRHYSA-N 2 2 335.452 0.705 10 0 ECAELP CC(C)CCn1cc(C(=O)N2C[C@@H](c3cn(C)c[nH+]3)[C@H]([NH3+])C2)nn1 ZINC000864341426 590074388 /nfs/dbraw/zinc/07/43/88/590074388.db2.gz IPIIWUMLZOBWIK-CHWSQXEVSA-N 2 2 331.424 0.625 10 0 ECAELP C/C=C(/C)C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C[C@H]1C(=O)NCC ZINC000229987247 609078626 /nfs/dbraw/zinc/07/86/26/609078626.db2.gz JJCXVDZACULOPH-WYMQAPTCSA-N 2 2 347.463 0.853 10 0 ECAELP 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ECAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N2CCN(C(C)=O)CC2)C1 ZINC000105896926 436587196 /nfs/dbraw/zinc/58/71/96/436587196.db2.gz YYHJEJCPQLCGHN-MRXNPFEDSA-N 2 2 347.463 0.773 10 0 ECAELP C[NH+](C)Cc1cccc(NC(=O)NC[C@H](O)C[NH+]2CCOCC2)c1 ZINC000194769516 436671559 /nfs/dbraw/zinc/67/15/59/436671559.db2.gz RMNHIHFPFPSVCS-INIZCTEOSA-N 2 2 336.436 0.563 10 0 ECAELP CCOCCNC(=O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195279975 436685792 /nfs/dbraw/zinc/68/57/92/436685792.db2.gz KDIICKOLPULXKT-QGZVFWFLSA-N 2 2 334.464 0.988 10 0 ECAELP CCOCCNC(=O)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195279975 436685797 /nfs/dbraw/zinc/68/57/97/436685797.db2.gz KDIICKOLPULXKT-QGZVFWFLSA-N 2 2 334.464 0.988 10 0 ECAELP CCOCCNC(=O)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195279975 436685800 /nfs/dbraw/zinc/68/58/00/436685800.db2.gz KDIICKOLPULXKT-QGZVFWFLSA-N 2 2 334.464 0.988 10 0 ECAELP CCOCCNC(=O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195279975 436685804 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0.676 10 0 ECAELP COCC[N@@H+]1CCN(C(=O)NCC[NH+]2CCOCC2(C)C)C[C@@H]1C ZINC000172335060 437010795 /nfs/dbraw/zinc/01/07/95/437010795.db2.gz FJBUBCNNPBOYGY-HNNXBMFYSA-N 2 2 342.484 0.459 10 0 ECAELP COCC[N@H+]1CCN(C(=O)NCC[NH+]2CCOCC2(C)C)C[C@@H]1C ZINC000172335060 437010797 /nfs/dbraw/zinc/01/07/97/437010797.db2.gz FJBUBCNNPBOYGY-HNNXBMFYSA-N 2 2 342.484 0.459 10 0 ECAELP COCC[NH+]1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)C[C@@H]1C ZINC000172335060 437010800 /nfs/dbraw/zinc/01/08/00/437010800.db2.gz FJBUBCNNPBOYGY-HNNXBMFYSA-N 2 2 342.484 0.459 10 0 ECAELP COCC[NH+]1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)C[C@@H]1C ZINC000172335060 437010802 /nfs/dbraw/zinc/01/08/02/437010802.db2.gz FJBUBCNNPBOYGY-HNNXBMFYSA-N 2 2 342.484 0.459 10 0 ECAELP COCCOCC[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000175647195 437112918 /nfs/dbraw/zinc/11/29/18/437112918.db2.gz FUHIIGCCNKKOBA-QGZVFWFLSA-N 2 2 329.485 0.376 10 0 ECAELP COCCOCC[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000175647195 437112926 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10 0 ECAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000261626840 165217748 /nfs/dbraw/zinc/21/77/48/165217748.db2.gz DYBFVQDUKXQETF-JKSUJKDBSA-N 3 2 340.512 0.519 10 0 ECAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000261626840 165217752 /nfs/dbraw/zinc/21/77/52/165217752.db2.gz DYBFVQDUKXQETF-JKSUJKDBSA-N 3 2 340.512 0.519 10 0 ECAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000261626840 165217755 /nfs/dbraw/zinc/21/77/55/165217755.db2.gz DYBFVQDUKXQETF-JKSUJKDBSA-N 3 2 340.512 0.519 10 0 ECAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000261626840 165217759 /nfs/dbraw/zinc/21/77/59/165217759.db2.gz DYBFVQDUKXQETF-JKSUJKDBSA-N 3 2 340.512 0.519 10 0 ECAELP C[C@H](NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)C(=O)N(C)C ZINC000261696764 165230028 /nfs/dbraw/zinc/23/00/28/165230028.db2.gz JLZGUGXKZKSOPC-IMJJTQAJSA-N 2 2 332.448 0.254 10 0 ECAELP C[C@H](NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)C(=O)N(C)C ZINC000261696764 165230030 /nfs/dbraw/zinc/23/00/30/165230030.db2.gz JLZGUGXKZKSOPC-IMJJTQAJSA-N 2 2 332.448 0.254 10 0 ECAELP CC(C)OCC[NH+]1CCN(C(=O)NC[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000174157385 263149907 /nfs/dbraw/zinc/14/99/07/263149907.db2.gz AOENLHCWEUYSQZ-MRXNPFEDSA-N 2 2 342.484 0.459 10 0 ECAELP CC(C)(CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000192797446 263166124 /nfs/dbraw/zinc/16/61/24/263166124.db2.gz ZCCDYQQPRWPKPY-OAHLLOKOSA-N 2 2 342.484 0.243 10 0 ECAELP CCCNC(=O)C[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000105845570 436582129 /nfs/dbraw/zinc/58/21/29/436582129.db2.gz SYLGYEMETJFITH-INIZCTEOSA-N 2 2 326.485 0.239 10 0 ECAELP CCCNC(=O)C[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000105845570 436582131 /nfs/dbraw/zinc/58/21/31/436582131.db2.gz SYLGYEMETJFITH-INIZCTEOSA-N 2 2 326.485 0.239 10 0 ECAELP CCNC(=O)NC(=O)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105862991 436582473 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ZINC000173418512 437047936 /nfs/dbraw/zinc/04/79/36/437047936.db2.gz FVTUSFLHTIZHMD-UONOGXRCSA-N 2 2 348.451 0.324 10 0 ECAELP C[C@@H](CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)CN1CC[NH+](C)CC1 ZINC000173505410 437053960 /nfs/dbraw/zinc/05/39/60/437053960.db2.gz YBCSUHUDIJMLJE-DLBZAZTESA-N 2 2 337.512 0.750 10 0 ECAELP C[C@@H](CNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)CN1CC[NH+](C)CC1 ZINC000173505410 437053964 /nfs/dbraw/zinc/05/39/64/437053964.db2.gz YBCSUHUDIJMLJE-DLBZAZTESA-N 2 2 337.512 0.750 10 0 ECAELP C[N@@H+]1CCO[C@@H](CNC(=O)CC2([NH+]3CCOCC3)CCCC2)C1 ZINC000174391922 437079904 /nfs/dbraw/zinc/07/99/04/437079904.db2.gz OTKSPBFSHVSVAF-HNNXBMFYSA-N 2 2 325.453 0.468 10 0 ECAELP C[N@H+]1CCO[C@@H](CNC(=O)CC2([NH+]3CCOCC3)CCCC2)C1 ZINC000174391922 437079908 /nfs/dbraw/zinc/07/99/08/437079908.db2.gz OTKSPBFSHVSVAF-HNNXBMFYSA-N 2 2 325.453 0.468 10 0 ECAELP CCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)cn1 ZINC000174654977 437084720 /nfs/dbraw/zinc/08/47/20/437084720.db2.gz ZZZWQZPOSSSZDJ-INIZCTEOSA-N 2 2 335.452 0.268 10 0 ECAELP CCn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)cn1 ZINC000174654977 437084725 /nfs/dbraw/zinc/08/47/25/437084725.db2.gz ZZZWQZPOSSSZDJ-INIZCTEOSA-N 2 2 335.452 0.268 10 0 ECAELP CCn1cc(C[NH+]2CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)cn1 ZINC000174654977 437084727 /nfs/dbraw/zinc/08/47/27/437084727.db2.gz ZZZWQZPOSSSZDJ-INIZCTEOSA-N 2 2 335.452 0.268 10 0 ECAELP CCn1cc(C[NH+]2CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)cn1 ZINC000174654977 437084732 /nfs/dbraw/zinc/08/47/32/437084732.db2.gz ZZZWQZPOSSSZDJ-INIZCTEOSA-N 2 2 335.452 0.268 10 0 ECAELP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC[C@@H](n3cncn3)C2)CC1 ZINC000179316318 437258686 /nfs/dbraw/zinc/25/86/86/437258686.db2.gz GEUXQDULBFONLH-MRXNPFEDSA-N 2 2 349.483 0.651 10 0 ECAELP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)[C@H]1C[NH2+]CCOC1 ZINC000649277801 440431761 /nfs/dbraw/zinc/43/17/61/440431761.db2.gz SPODOCNUQUMBGU-IRXDYDNUSA-N 2 2 333.432 0.240 10 0 ECAELP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H]1C[NH2+]CCOC1 ZINC000649277801 440431767 /nfs/dbraw/zinc/43/17/67/440431767.db2.gz SPODOCNUQUMBGU-IRXDYDNUSA-N 2 2 333.432 0.240 10 0 ECAELP CC[C@@H](O)C[NH+]1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000184706009 320534244 /nfs/dbraw/zinc/53/42/44/320534244.db2.gz ZOZWKZKHJGBZFR-OAHLLOKOSA-N 2 2 342.484 0.195 10 0 ECAELP CNC(=O)[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)C ZINC000183650951 545892526 /nfs/dbraw/zinc/89/25/26/545892526.db2.gz UNEZXKUTIBKGLM-QGZVFWFLSA-N 2 2 347.463 0.481 10 0 ECAELP CCN1CCO[C@@H](CNC(=O)Cn2cc[nH+]c2C)[C@@H]1c1[nH+]ccn1C ZINC000886079303 590791929 /nfs/dbraw/zinc/79/19/29/590791929.db2.gz QLUUZZBACGDTKE-GOEBONIOSA-N 2 2 346.435 0.503 10 0 ECAELP O=C(NCCn1cc[nH+]c1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000117021811 221022564 /nfs/dbraw/zinc/02/25/64/221022564.db2.gz ZPUWMTSYIRHNQB-KRWDZBQOSA-N 2 2 343.431 0.944 10 0 ECAELP CC[C@@H]1CN(C(=O)NC[C@H](C)[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC000246996781 165149274 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0.226 10 0 ECAELP C[N@@H+]1CCO[C@H](CNC(=O)NCC[NH+]2CCc3ccccc3C2)C1 ZINC000104779530 436562511 /nfs/dbraw/zinc/56/25/11/436562511.db2.gz BYVTVJFWLGXLII-QGZVFWFLSA-N 2 2 332.448 0.675 10 0 ECAELP C[N@H+]1CCO[C@H](CNC(=O)NCC[NH+]2CCc3ccccc3C2)C1 ZINC000104779530 436562514 /nfs/dbraw/zinc/56/25/14/436562514.db2.gz BYVTVJFWLGXLII-QGZVFWFLSA-N 2 2 332.448 0.675 10 0 ECAELP C[NH+]1CCO[C@H](CNC(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000104779530 436562518 /nfs/dbraw/zinc/56/25/18/436562518.db2.gz BYVTVJFWLGXLII-QGZVFWFLSA-N 2 2 332.448 0.675 10 0 ECAELP C[NH+]1CCO[C@H](CNC(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000104779530 436562522 /nfs/dbraw/zinc/56/25/22/436562522.db2.gz BYVTVJFWLGXLII-QGZVFWFLSA-N 2 2 332.448 0.675 10 0 ECAELP C[C@@H](CN1CC[NH+](C)CC1)Nc1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000106483311 436597391 /nfs/dbraw/zinc/59/73/91/436597391.db2.gz JSZYFLGIUNMSKY-LSDHHAIUSA-N 2 2 334.468 0.486 10 0 ECAELP CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195298214 436688855 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ECAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)CC1 ZINC000177245577 437176908 /nfs/dbraw/zinc/17/69/08/437176908.db2.gz ZNYWDIULXDZHIL-YESZJQIVSA-N 2 2 338.496 0.192 10 0 ECAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)CC1 ZINC000177245577 437176911 /nfs/dbraw/zinc/17/69/11/437176911.db2.gz ZNYWDIULXDZHIL-YESZJQIVSA-N 2 2 338.496 0.192 10 0 ECAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178630680 437220609 /nfs/dbraw/zinc/22/06/09/437220609.db2.gz ZLNJTEHOOVNMDA-DLBZAZTESA-N 2 2 343.475 0.899 10 0 ECAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000178630680 437220612 /nfs/dbraw/zinc/22/06/12/437220612.db2.gz ZLNJTEHOOVNMDA-DLBZAZTESA-N 2 2 343.475 0.899 10 0 ECAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000180045117 437277478 /nfs/dbraw/zinc/27/74/78/437277478.db2.gz JJLWWGLDSOEOJC-HIFRSBDPSA-N 2 2 341.477 0.831 10 0 ECAELP COC[C@]1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCC[NH2+]1 ZINC000649277854 440430116 /nfs/dbraw/zinc/43/01/16/440430116.db2.gz WXVWTUKCHLHMLA-MJGOQNOKSA-N 2 2 347.459 0.772 10 0 ECAELP COC[C@]1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCC[NH2+]1 ZINC000649277854 440430123 /nfs/dbraw/zinc/43/01/23/440430123.db2.gz WXVWTUKCHLHMLA-MJGOQNOKSA-N 2 2 347.459 0.772 10 0 ECAELP CN(C)c1nc(N(C)C)c2c([nH+]1)CN(C(=O)C[NH+]1CCCC1)CC2 ZINC000072166953 216057727 /nfs/dbraw/zinc/05/77/27/216057727.db2.gz ZRBRSMGFWTXTKO-UHFFFAOYSA-N 2 2 332.452 0.589 10 0 ECAELP COCC[N@@H+]1CCN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C[C@H]1C ZINC000247131939 165153334 /nfs/dbraw/zinc/15/33/34/165153334.db2.gz ONJGPNNGUUOYSY-OAGGEKHMSA-N 2 2 342.484 0.458 10 0 ECAELP COCC[N@H+]1CCN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C[C@H]1C ZINC000247131939 165153335 /nfs/dbraw/zinc/15/33/35/165153335.db2.gz ONJGPNNGUUOYSY-OAGGEKHMSA-N 2 2 342.484 0.458 10 0 ECAELP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cn1 ZINC000261900721 165259258 /nfs/dbraw/zinc/25/92/58/165259258.db2.gz AGJXPQPWHRQHOV-BBWFWOEESA-N 2 2 347.463 0.046 10 0 ECAELP C[NH2+][C@H](C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1)c1cnn(C)c1 ZINC000262388520 165342502 /nfs/dbraw/zinc/34/25/02/165342502.db2.gz NXKXPOJUHZLRCC-INIZCTEOSA-N 2 2 339.403 0.886 10 0 ECAELP Cn1cc([C@H](CNc2cc(N3CCC[C@H]3CO)[nH+]cn2)[NH+](C)C)cn1 ZINC000301271874 296884680 /nfs/dbraw/zinc/88/46/80/296884680.db2.gz HLRYAMSVLVUNTD-GJZGRUSLSA-N 2 2 345.451 0.886 10 0 ECAELP C[C@H](CNC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)[NH+]1CCOCC1 ZINC000173826940 263149439 /nfs/dbraw/zinc/14/94/39/263149439.db2.gz NJTGTLANDNREJE-HZPDHXFCSA-N 2 2 342.484 0.459 10 0 ECAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CCN3CCCC3=O)CC2)C1 ZINC000105845963 436582087 /nfs/dbraw/zinc/58/20/87/436582087.db2.gz RTGFHMHMDTVNCE-QGZVFWFLSA-N 2 2 338.496 0.336 10 0 ECAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CCN3CCCC3=O)CC2)C1 ZINC000105845963 436582089 /nfs/dbraw/zinc/58/20/89/436582089.db2.gz RTGFHMHMDTVNCE-QGZVFWFLSA-N 2 2 338.496 0.336 10 0 ECAELP CC(C)(CNC(=O)CN1CC[N@@H+]2CCCC[C@H]2C1)[NH+]1CCOCC1 ZINC000248341843 436802909 /nfs/dbraw/zinc/80/29/09/436802909.db2.gz JFKNAEOVAZAQQC-INIZCTEOSA-N 2 2 338.496 0.384 10 0 ECAELP CC(C)(CNC(=O)CN1CC[N@H+]2CCCC[C@H]2C1)[NH+]1CCOCC1 ZINC000248341843 436802911 /nfs/dbraw/zinc/80/29/11/436802911.db2.gz JFKNAEOVAZAQQC-INIZCTEOSA-N 2 2 338.496 0.384 10 0 ECAELP COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261758864 436887265 /nfs/dbraw/zinc/88/72/65/436887265.db2.gz CTIGGRHWVYSAMP-HUUCEWRRSA-N 2 2 333.498 0.358 10 0 ECAELP COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261758864 436887267 /nfs/dbraw/zinc/88/72/67/436887267.db2.gz CTIGGRHWVYSAMP-HUUCEWRRSA-N 2 2 333.498 0.358 10 0 ECAELP CCC[C@H](C(=O)NCC[NH+]1CCN(c2ncccn2)CC1)[NH+](C)C ZINC000161654325 436895727 /nfs/dbraw/zinc/89/57/27/436895727.db2.gz ZUCIMSYYWOUHJQ-OAHLLOKOSA-N 2 2 334.468 0.445 10 0 ECAELP CCOCC[NH+]1CCN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000174733785 437087672 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Cc1cc(N2CC[NH+](CCCn3cc[nH+]c3)CC2)n2ncnc2n1 ZINC000182752869 320531079 /nfs/dbraw/zinc/53/10/79/320531079.db2.gz RXNJQASPDOTKDL-UHFFFAOYSA-N 2 2 326.408 0.842 10 0 ECAELP C[NH+](C)C[C@@H]1CN(C(=O)NCCc2cn3ccccc3[nH+]2)CCO1 ZINC000117029153 282123337 /nfs/dbraw/zinc/12/33/37/282123337.db2.gz YIFSTRMEIJJEPJ-OAHLLOKOSA-N 2 2 331.420 0.849 10 0 ECAELP CNC(=O)NC(=O)CC[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000171624568 529878871 /nfs/dbraw/zinc/87/88/71/529878871.db2.gz LEAJAQABVPBLMW-UHFFFAOYSA-N 2 2 336.440 0.125 10 0 ECAELP CNC(=O)NC(=O)CC[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000171624568 529878872 /nfs/dbraw/zinc/87/88/72/529878872.db2.gz LEAJAQABVPBLMW-UHFFFAOYSA-N 2 2 336.440 0.125 10 0 ECAELP CNc1cc(N2CCC[C@@H]2CNC(=O)NC[C@H]2CCC[N@@H+]2C)nc[nH+]1 ZINC000245684069 165113805 /nfs/dbraw/zinc/11/38/05/165113805.db2.gz GUDNIDYYNKPAQP-ZIAGYGMSSA-N 2 2 347.467 0.881 10 0 ECAELP CNc1cc(N2CCC[C@@H]2CNC(=O)NC[C@H]2CCC[N@H+]2C)nc[nH+]1 ZINC000245684069 165113807 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0.666 10 0 ECAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CC[C@H]3CCOC3=O)CC2)C1 ZINC000247084389 165153409 /nfs/dbraw/zinc/15/34/09/165153409.db2.gz XXLQNINFUSCLNH-DLBZAZTESA-N 2 2 339.480 0.666 10 0 ECAELP C[C@@H](CNC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)[NH+]1CCOCC1 ZINC000248860666 165188491 /nfs/dbraw/zinc/18/84/91/165188491.db2.gz DINONVKTZOIQEI-ARFHVFGLSA-N 2 2 342.484 0.506 10 0 ECAELP COc1cc(C[NH+]2CCN(Cc3noc(C[NH3+])n3)CC2)cc(OC)c1 ZINC000261601358 165213672 /nfs/dbraw/zinc/21/36/72/165213672.db2.gz AJDLYADMZCFVCX-UHFFFAOYSA-N 2 2 347.419 0.863 10 0 ECAELP COC[C@@H]([NH3+])C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000262312892 165327700 /nfs/dbraw/zinc/32/77/00/165327700.db2.gz PIQFFUZOZXALIO-MRXNPFEDSA-N 2 2 346.431 0.886 10 0 ECAELP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000246351414 289187003 /nfs/dbraw/zinc/18/70/03/289187003.db2.gz DABLBSKTDKNMBE-IAGOWNOFSA-N 2 2 334.464 0.789 10 0 ECAELP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000246351414 289187005 /nfs/dbraw/zinc/18/70/05/289187005.db2.gz DABLBSKTDKNMBE-IAGOWNOFSA-N 2 2 334.464 0.789 10 0 ECAELP C[C@@H](CNC(=O)NCCCC[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000077793282 436253054 /nfs/dbraw/zinc/25/30/54/436253054.db2.gz KTJZWKRSMQNMIN-HNNXBMFYSA-N 2 2 328.457 0.119 10 0 ECAELP CN(C)C(=O)[C@H]1CCC[N@@H+]1C/C=C/C[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000121694128 436723423 /nfs/dbraw/zinc/72/34/23/436723423.db2.gz IJTCKZNBWOOFJS-AXHPFZFWSA-N 2 2 336.480 0.648 10 0 ECAELP CN(C)C(=O)[C@H]1CCC[N@H+]1C/C=C/C[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000121694128 436723430 /nfs/dbraw/zinc/72/34/30/436723430.db2.gz IJTCKZNBWOOFJS-AXHPFZFWSA-N 2 2 336.480 0.648 10 0 ECAELP CN(C)C(=O)[C@H]1CCC[NH+]1C/C=C/C[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000121694128 436723436 /nfs/dbraw/zinc/72/34/36/436723436.db2.gz IJTCKZNBWOOFJS-AXHPFZFWSA-N 2 2 336.480 0.648 10 0 ECAELP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000246332789 436778237 /nfs/dbraw/zinc/77/82/37/436778237.db2.gz 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AINMRECZNMOTHM-UKRRQHHQSA-N 2 2 333.498 0.357 10 0 ECAELP C[NH+](C)C[C@H]1CN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CCO1 ZINC000117025095 282137343 /nfs/dbraw/zinc/13/73/43/282137343.db2.gz QUDPIASRAYMFPW-AWEZNQCLSA-N 2 2 328.457 0.069 10 0 ECAELP COCC[N@@H+]1CCN(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C[C@@H]1C ZINC000247131915 285043908 /nfs/dbraw/zinc/04/39/08/285043908.db2.gz ONJGPNNGUUOYSY-ARFHVFGLSA-N 2 2 342.484 0.458 10 0 ECAELP COCC[N@H+]1CCN(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C[C@@H]1C ZINC000247131915 285043911 /nfs/dbraw/zinc/04/39/11/285043911.db2.gz ONJGPNNGUUOYSY-ARFHVFGLSA-N 2 2 342.484 0.458 10 0 ECAELP CC[C@H]1CN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)CC[N@@H+]1CCOC ZINC000246083836 165122583 /nfs/dbraw/zinc/12/25/83/165122583.db2.gz GCEPYOCKAODNHX-HOTGVXAUSA-N 2 2 349.479 0.985 10 0 ECAELP CC[C@H]1CN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)CC[N@H+]1CCOC ZINC000246083836 165122587 /nfs/dbraw/zinc/12/25/87/165122587.db2.gz GCEPYOCKAODNHX-HOTGVXAUSA-N 2 2 349.479 0.985 10 0 ECAELP 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C[N@H+]1CCO[C@@H](CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000104789768 436562407 /nfs/dbraw/zinc/56/24/07/436562407.db2.gz WFTVOIIGPHCTMT-HNNXBMFYSA-N 2 2 333.436 0.680 10 0 ECAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCNS(C)(=O)=O)C1 ZINC000195284973 436686611 /nfs/dbraw/zinc/68/66/11/436686611.db2.gz KHFWYYADKOCKNV-HNNXBMFYSA-N 2 2 326.466 0.385 10 0 ECAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCNS(C)(=O)=O)C1 ZINC000195284973 436686613 /nfs/dbraw/zinc/68/66/13/436686613.db2.gz KHFWYYADKOCKNV-HNNXBMFYSA-N 2 2 326.466 0.385 10 0 ECAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CCNS(C)(=O)=O)C1 ZINC000195284973 436686616 /nfs/dbraw/zinc/68/66/16/436686616.db2.gz KHFWYYADKOCKNV-HNNXBMFYSA-N 2 2 326.466 0.385 10 0 ECAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000195284973 436686618 /nfs/dbraw/zinc/68/66/18/436686618.db2.gz KHFWYYADKOCKNV-HNNXBMFYSA-N 2 2 326.466 0.385 10 0 ECAELP CCS(=O)(=O)NCC[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195284958 436685286 /nfs/dbraw/zinc/68/52/86/436685286.db2.gz CATUIMMUTMUIKR-INIZCTEOSA-N 2 2 340.493 0.775 10 0 ECAELP CCS(=O)(=O)NCC[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195284958 436685290 /nfs/dbraw/zinc/68/52/90/436685290.db2.gz CATUIMMUTMUIKR-INIZCTEOSA-N 2 2 340.493 0.775 10 0 ECAELP CCS(=O)(=O)NCC[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195284958 436685293 /nfs/dbraw/zinc/68/52/93/436685293.db2.gz CATUIMMUTMUIKR-INIZCTEOSA-N 2 2 340.493 0.775 10 0 ECAELP CCS(=O)(=O)NCC[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195284958 436685295 /nfs/dbraw/zinc/68/52/95/436685295.db2.gz CATUIMMUTMUIKR-INIZCTEOSA-N 2 2 340.493 0.775 10 0 ECAELP O=C(C[NH2+]C1CC1)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000154657036 436782367 /nfs/dbraw/zinc/78/23/67/436782367.db2.gz OFWFYCKSIRZTKJ-MRXNPFEDSA-N 2 2 333.432 0.323 10 0 ECAELP Cn1cc(C[N@@H+]2CCCN(C(=O)[C@H]3CC(F)(F)C[NH2+]3)CC2)cn1 ZINC000263153319 436951846 /nfs/dbraw/zinc/95/18/46/436951846.db2.gz DFIAAHQAFUENSA-CYBMUJFWSA-N 2 2 327.379 0.452 10 0 ECAELP Cn1cc(C[N@H+]2CCCN(C(=O)[C@H]3CC(F)(F)C[NH2+]3)CC2)cn1 ZINC000263153319 436951850 /nfs/dbraw/zinc/95/18/50/436951850.db2.gz DFIAAHQAFUENSA-CYBMUJFWSA-N 2 2 327.379 0.452 10 0 ECAELP CCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3CC(F)(F)C[NH2+]3)CC2)cn1 ZINC000263154570 436954046 /nfs/dbraw/zinc/95/40/46/436954046.db2.gz DGWUBLIODUIXOH-AWEZNQCLSA-N 2 2 341.406 0.935 10 0 ECAELP CCn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3CC(F)(F)C[NH2+]3)CC2)cn1 ZINC000263154570 436954047 /nfs/dbraw/zinc/95/40/47/436954047.db2.gz DGWUBLIODUIXOH-AWEZNQCLSA-N 2 2 341.406 0.935 10 0 ECAELP C[NH+](C)Cc1ccc(N2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)nc1 ZINC000174863048 437090040 /nfs/dbraw/zinc/09/00/40/437090040.db2.gz ATLGPURMRAWGDI-INIZCTEOSA-N 2 2 347.463 0.122 10 0 ECAELP C[NH+](C)Cc1ccc(N2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)nc1 ZINC000174863048 437090045 /nfs/dbraw/zinc/09/00/45/437090045.db2.gz ATLGPURMRAWGDI-INIZCTEOSA-N 2 2 347.463 0.122 10 0 ECAELP C[N@@H+]1CCN(c2ccc(I)cn2)[C@@H](C[NH3+])C1 ZINC000591433269 439015544 /nfs/dbraw/zinc/01/55/44/439015544.db2.gz QGLRFYKJIOLIHK-JTQLQIEISA-N 2 2 332.189 0.765 10 0 ECAELP C[N@H+]1CCN(c2ccc(I)cn2)[C@@H](C[NH3+])C1 ZINC000591433269 439015549 /nfs/dbraw/zinc/01/55/49/439015549.db2.gz QGLRFYKJIOLIHK-JTQLQIEISA-N 2 2 332.189 0.765 10 0 ECAELP COC[C@@]1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCC[NH2+]1 ZINC000649277853 440430341 /nfs/dbraw/zinc/43/03/41/440430341.db2.gz WXVWTUKCHLHMLA-IEBWSBKVSA-N 2 2 347.459 0.772 10 0 ECAELP COC[C@@]1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCC[NH2+]1 ZINC000649277853 440430347 /nfs/dbraw/zinc/43/03/47/440430347.db2.gz WXVWTUKCHLHMLA-IEBWSBKVSA-N 2 2 347.459 0.772 10 0 ECAELP CC[C@@H](O)C[NH+]1CCN(C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000184843902 320535183 /nfs/dbraw/zinc/53/51/83/320535183.db2.gz RIJVMVODUHVELM-MRXNPFEDSA-N 2 2 342.484 0.197 10 0 ECAELP O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000262356545 545948125 /nfs/dbraw/zinc/94/81/25/545948125.db2.gz UUOZEZRTQMLNNW-XHSDSOJGSA-N 2 2 335.473 0.473 10 0 ECAELP CC[C@H](O)C[NH+]1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC000896210900 586227588 /nfs/dbraw/zinc/22/75/88/586227588.db2.gz OXLNSIVRGZNMQI-XJKSGUPXSA-N 2 2 335.452 0.705 10 0 ECAELP CC[C@H](O)C[NH+]1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC000896210900 586227591 /nfs/dbraw/zinc/22/75/91/586227591.db2.gz OXLNSIVRGZNMQI-XJKSGUPXSA-N 2 2 335.452 0.705 10 0 ECAELP CC[NH+](CC)[C@H](C(=O)NC[C@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC000132737409 205338713 /nfs/dbraw/zinc/33/87/13/205338713.db2.gz AKCJYUYQIDMVJL-ROUUACIJSA-N 2 2 349.475 0.879 10 0 ECAELP C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2)[NH+]1CCOCC1 ZINC000193917433 165060511 /nfs/dbraw/zinc/06/05/11/165060511.db2.gz FVXTXDBNUDKKAE-CYBMUJFWSA-N 2 2 346.431 0.407 10 0 ECAELP C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2)[NH+]1CCOCC1 ZINC000193917433 165060513 /nfs/dbraw/zinc/06/05/13/165060513.db2.gz FVXTXDBNUDKKAE-CYBMUJFWSA-N 2 2 346.431 0.407 10 0 ECAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H]([NH3+])C(C)(C)C2)C1 ZINC000261626825 165216929 /nfs/dbraw/zinc/21/69/29/165216929.db2.gz DYBFVQDUKXQETF-CVEARBPZSA-N 3 2 340.512 0.519 10 0 ECAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H]([NH3+])C(C)(C)C2)C1 ZINC000261626825 165216933 /nfs/dbraw/zinc/21/69/33/165216933.db2.gz DYBFVQDUKXQETF-CVEARBPZSA-N 3 2 340.512 0.519 10 0 ECAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)C1 ZINC000261626825 165216935 /nfs/dbraw/zinc/21/69/35/165216935.db2.gz DYBFVQDUKXQETF-CVEARBPZSA-N 3 2 340.512 0.519 10 0 ECAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)C1 ZINC000261626825 165216940 /nfs/dbraw/zinc/21/69/40/165216940.db2.gz DYBFVQDUKXQETF-CVEARBPZSA-N 3 2 340.512 0.519 10 0 ECAELP O=C(C[C@H]1CSCC[NH2+]1)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000261772159 165242050 /nfs/dbraw/zinc/24/20/50/165242050.db2.gz RAQOJGWDOPWXRC-AWEZNQCLSA-N 2 2 336.461 0.630 10 0 ECAELP COC[C@H]([NH3+])C(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000262190964 165306347 /nfs/dbraw/zinc/30/63/47/165306347.db2.gz CFTCWILTLVBHTM-QWHCGFSZSA-N 2 2 327.450 0.554 10 0 ECAELP COC[C@H]([NH3+])C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000262314644 165327640 /nfs/dbraw/zinc/32/76/40/165327640.db2.gz PMTXBZQVROTQFS-JTQLQIEISA-N 2 2 327.182 0.687 10 0 ECAELP COC[C@H]([NH3+])C(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000262324725 165329378 /nfs/dbraw/zinc/32/93/78/165329378.db2.gz FVQZFEYSRPUFPL-RDJZCZTQSA-N 2 2 335.448 0.710 10 0 ECAELP CCS(=O)(=O)NCC[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000109328982 436625029 /nfs/dbraw/zinc/62/50/29/436625029.db2.gz IWUIUCWIIJJNBA-UHFFFAOYSA-N 2 2 343.497 0.219 10 0 ECAELP CCS(=O)(=O)NCC[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000109328982 436625032 /nfs/dbraw/zinc/62/50/32/436625032.db2.gz IWUIUCWIIJJNBA-UHFFFAOYSA-N 2 2 343.497 0.219 10 0 ECAELP C[N@@H+](Cc1cccnc1)C[C@H]1CCN(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000195297079 436686565 /nfs/dbraw/zinc/68/65/65/436686565.db2.gz DMAQYRIVVIZUOQ-GOSISDBHSA-N 2 2 345.491 0.609 10 0 ECAELP C[N@H+](Cc1cccnc1)C[C@H]1CCN(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000195297079 436686569 /nfs/dbraw/zinc/68/65/69/436686569.db2.gz DMAQYRIVVIZUOQ-GOSISDBHSA-N 2 2 345.491 0.609 10 0 ECAELP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000121157582 436708715 /nfs/dbraw/zinc/70/87/15/436708715.db2.gz KOLAMIYWYYBTRB-CQSZACIVSA-N 2 2 340.468 0.750 10 0 ECAELP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000121157582 436708718 /nfs/dbraw/zinc/70/87/18/436708718.db2.gz KOLAMIYWYYBTRB-CQSZACIVSA-N 2 2 340.468 0.750 10 0 ECAELP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000138977680 436662791 /nfs/dbraw/zinc/66/27/91/436662791.db2.gz CYJCRWIEGKUNQH-HUUCEWRRSA-N 2 2 335.452 0.715 10 0 ECAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CCNS(C)(=O)=O)C1 ZINC000195258344 436684880 /nfs/dbraw/zinc/68/48/80/436684880.db2.gz MGIJUWFSDZCBST-ZDUSSCGKSA-N 2 2 346.522 0.754 10 0 ECAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CCNS(C)(=O)=O)C1 ZINC000195258344 436684881 /nfs/dbraw/zinc/68/48/81/436684881.db2.gz MGIJUWFSDZCBST-ZDUSSCGKSA-N 2 2 346.522 0.754 10 0 ECAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CCNS(C)(=O)=O)C1 ZINC000195258344 436684883 /nfs/dbraw/zinc/68/48/83/436684883.db2.gz MGIJUWFSDZCBST-ZDUSSCGKSA-N 2 2 346.522 0.754 10 0 ECAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000195258344 436684885 /nfs/dbraw/zinc/68/48/85/436684885.db2.gz MGIJUWFSDZCBST-ZDUSSCGKSA-N 2 2 346.522 0.754 10 0 ECAELP O=C(NC[C@@H](O)C[NH+]1CCOCC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000245576195 436764955 /nfs/dbraw/zinc/76/49/55/436764955.db2.gz AYUTYBRKBXTRSK-DOTOQJQBSA-N 2 2 339.480 0.450 10 0 ECAELP O=C(NC[C@@H](O)C[NH+]1CCOCC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000245576195 436764959 /nfs/dbraw/zinc/76/49/59/436764959.db2.gz AYUTYBRKBXTRSK-DOTOQJQBSA-N 2 2 339.480 0.450 10 0 ECAELP C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000126110894 436782113 /nfs/dbraw/zinc/78/21/13/436782113.db2.gz WIXPEHGTQVWFTK-DJIMGWMZSA-N 2 2 336.480 0.975 10 0 ECAELP C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000126110894 436782116 /nfs/dbraw/zinc/78/21/16/436782116.db2.gz WIXPEHGTQVWFTK-DJIMGWMZSA-N 2 2 336.480 0.975 10 0 ECAELP C[NH+]1CCO[C@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000126110894 436782119 /nfs/dbraw/zinc/78/21/19/436782119.db2.gz WIXPEHGTQVWFTK-DJIMGWMZSA-N 2 2 336.480 0.975 10 0 ECAELP C[NH+]1CCO[C@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000126110894 436782121 /nfs/dbraw/zinc/78/21/21/436782121.db2.gz WIXPEHGTQVWFTK-DJIMGWMZSA-N 2 2 336.480 0.975 10 0 ECAELP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263318480 436961767 /nfs/dbraw/zinc/96/17/67/436961767.db2.gz ZVHRCSFFMCDPSO-DGCLKSJQSA-N 2 2 332.853 0.804 10 0 ECAELP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000263318481 436962607 /nfs/dbraw/zinc/96/26/07/436962607.db2.gz ZVHRCSFFMCDPSO-WCQYABFASA-N 2 2 332.853 0.804 10 0 ECAELP O=C(C[C@@H]1CCC[NH2+]1)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000168298837 436943602 /nfs/dbraw/zinc/94/36/02/436943602.db2.gz GZODZHUBMQBYKG-IRXDYDNUSA-N 2 2 347.459 0.713 10 0 ECAELP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000263292657 436960664 /nfs/dbraw/zinc/96/06/64/436960664.db2.gz VXJWBKULHAZYCJ-LKFCYVNXSA-N 2 2 325.775 0.730 10 0 ECAELP C[N@H+](C[C@@H](O)Cn1cccn1)C1CC[NH+](CCn2cccn2)CC1 ZINC000171631431 436983157 /nfs/dbraw/zinc/98/31/57/436983157.db2.gz XWAFNBZHLNBDJU-QGZVFWFLSA-N 2 2 332.452 0.537 10 0 ECAELP C[N@@H+](C[C@@H](O)Cn1cccn1)C1CC[NH+](CCn2cccn2)CC1 ZINC000171631431 436983160 /nfs/dbraw/zinc/98/31/60/436983160.db2.gz XWAFNBZHLNBDJU-QGZVFWFLSA-N 2 2 332.452 0.537 10 0 ECAELP C[C@@H](CNc1cc(N2CCC[C@H]2CO)[nH+]cn1)N1CC[NH+](C)CC1 ZINC000301229524 437116812 /nfs/dbraw/zinc/11/68/12/437116812.db2.gz IPGRSTHAJMNWJT-GJZGRUSLSA-N 2 2 334.468 0.486 10 0 ECAELP CC[C@@H]1CN(C(=O)NCCC[NH+]2CCOCC2)CC[N@@H+]1C[C@@H](C)O ZINC000184683863 437408476 /nfs/dbraw/zinc/40/84/76/437408476.db2.gz HIUGVEZOMYLZOO-HZPDHXFCSA-N 2 2 342.484 0.195 10 0 ECAELP CC[C@@H]1CN(C(=O)NCCC[NH+]2CCOCC2)CC[N@H+]1C[C@@H](C)O ZINC000184683863 437408480 /nfs/dbraw/zinc/40/84/80/437408480.db2.gz HIUGVEZOMYLZOO-HZPDHXFCSA-N 2 2 342.484 0.195 10 0 ECAELP C[N@H+](CC(=O)NC[C@@H]1CCCO1)C1CC[NH+](CCn2cccn2)CC1 ZINC000105915987 201061082 /nfs/dbraw/zinc/06/10/82/201061082.db2.gz LCFAJGYBJRVEKF-KRWDZBQOSA-N 2 2 349.479 0.575 10 0 ECAELP C[N@@H+](CC(=O)NC[C@@H]1CCCO1)C1CC[NH+](CCn2cccn2)CC1 ZINC000105915987 201061086 /nfs/dbraw/zinc/06/10/86/201061086.db2.gz LCFAJGYBJRVEKF-KRWDZBQOSA-N 2 2 349.479 0.575 10 0 ECAELP C[N@@H+]1CCO[C@@H](CNC(=O)NCC[NH+]2CCc3ccccc3C2)C1 ZINC000104779533 204120951 /nfs/dbraw/zinc/12/09/51/204120951.db2.gz BYVTVJFWLGXLII-KRWDZBQOSA-N 2 2 332.448 0.675 10 0 ECAELP C[N@H+]1CCO[C@@H](CNC(=O)NCC[NH+]2CCc3ccccc3C2)C1 ZINC000104779533 204120954 /nfs/dbraw/zinc/12/09/54/204120954.db2.gz BYVTVJFWLGXLII-KRWDZBQOSA-N 2 2 332.448 0.675 10 0 ECAELP C[NH+]1CCO[C@@H](CNC(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000104779533 204120958 /nfs/dbraw/zinc/12/09/58/204120958.db2.gz BYVTVJFWLGXLII-KRWDZBQOSA-N 2 2 332.448 0.675 10 0 ECAELP C[NH+]1CCO[C@@H](CNC(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000104779533 204120961 /nfs/dbraw/zinc/12/09/61/204120961.db2.gz BYVTVJFWLGXLII-KRWDZBQOSA-N 2 2 332.448 0.675 10 0 ECAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CCOCC(F)F)CC2)C1 ZINC000189164833 165006918 /nfs/dbraw/zinc/00/69/18/165006918.db2.gz QTMMGTCMCKLECH-HNNXBMFYSA-N 2 2 335.439 0.995 10 0 ECAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CCOCC(F)F)CC2)C1 ZINC000189164833 165006920 /nfs/dbraw/zinc/00/69/20/165006920.db2.gz QTMMGTCMCKLECH-HNNXBMFYSA-N 2 2 335.439 0.995 10 0 ECAELP C[C@H](O)C[N@@H+]1CCN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)C[C@@H]1C ZINC000246109665 165123746 /nfs/dbraw/zinc/12/37/46/165123746.db2.gz IBTUFDZIZAVFPG-KKUMJFAQSA-N 2 2 335.452 0.329 10 0 ECAELP C[C@H](O)C[N@H+]1CCN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)C[C@@H]1C ZINC000246109665 165123748 /nfs/dbraw/zinc/12/37/48/165123748.db2.gz IBTUFDZIZAVFPG-KKUMJFAQSA-N 2 2 335.452 0.329 10 0 ECAELP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@@H]([NH3+])C2CCOCC2)CC1 ZINC000261723596 165232795 /nfs/dbraw/zinc/23/27/95/165232795.db2.gz COQJLNUOROMEOQ-INIZCTEOSA-N 2 2 336.436 0.690 10 0 ECAELP [NH3+][C@@H]1CCC[C@H]1CC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000261874358 165255165 /nfs/dbraw/zinc/25/51/65/165255165.db2.gz YDUBEZOKJUEIFX-JKSUJKDBSA-N 2 2 336.480 0.564 10 0 ECAELP COC[C@H]([NH3+])C(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000262233104 165314377 /nfs/dbraw/zinc/31/43/77/165314377.db2.gz HAAKUEBYZFGHHW-GJZGRUSLSA-N 2 2 348.403 0.617 10 0 ECAELP Cc1nn(C)c(C)c1C[NH+]1CCN(c2cc[nH+]cc2C(N)=O)CC1 ZINC000302233315 296897075 /nfs/dbraw/zinc/89/70/75/296897075.db2.gz SXLNNBKMZZZSMR-UHFFFAOYSA-N 2 2 328.420 0.853 10 0 ECAELP C[NH+](C)C[C@H]1CN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CCO1 ZINC000108951671 436622512 /nfs/dbraw/zinc/62/25/12/436622512.db2.gz NMKBJBPUKNEKKZ-GJZGRUSLSA-N 2 2 335.452 0.452 10 0 ECAELP C[NH+](C)C[C@H]1CN(c2cc(N3CCC[C@H](CO)C3)nc[nH+]2)CCO1 ZINC000108951671 436622514 /nfs/dbraw/zinc/62/25/14/436622514.db2.gz NMKBJBPUKNEKKZ-GJZGRUSLSA-N 2 2 335.452 0.452 10 0 ECAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+]([C@@H](C)C(=O)N(C)C)CC2)C1 ZINC000105915322 436586480 /nfs/dbraw/zinc/58/64/80/436586480.db2.gz NBCRESNLDARTIN-HOTGVXAUSA-N 2 2 326.485 0.190 10 0 ECAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+]([C@@H](C)C(=O)N(C)C)CC2)C1 ZINC000105915322 436586481 /nfs/dbraw/zinc/58/64/81/436586481.db2.gz NBCRESNLDARTIN-HOTGVXAUSA-N 2 2 326.485 0.190 10 0 ECAELP C[NH+](C)C[C@@H]1CN(C(=O)NCc2cccnc2-n2cc[nH+]c2)CCO1 ZINC000117031094 436655725 /nfs/dbraw/zinc/65/57/25/436655725.db2.gz BEGYQGIUCBQOMU-OAHLLOKOSA-N 2 2 344.419 0.739 10 0 ECAELP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000263138861 436951913 /nfs/dbraw/zinc/95/19/13/436951913.db2.gz CDKLEMZDZJWEGY-LKFCYVNXSA-N 2 2 325.775 0.730 10 0 ECAELP C[NH+](C)[C@H]1CCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000170833414 436954915 /nfs/dbraw/zinc/95/49/15/436954915.db2.gz GYLDCEJLYUXVJM-GOEBONIOSA-N 2 2 342.509 0.540 10 0 ECAELP C[NH+](C)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000170844096 436957200 /nfs/dbraw/zinc/95/72/00/436957200.db2.gz FEOGXDKOJNRXRB-CYBMUJFWSA-N 2 2 328.376 0.368 10 0 ECAELP C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1[NH+]1CCOCC1 ZINC000173969075 437070475 /nfs/dbraw/zinc/07/04/75/437070475.db2.gz UQNTUFYCUHGJBA-IAGOWNOFSA-N 2 2 339.480 0.668 10 0 ECAELP CCOCC[N@@H+]1CCN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)C[C@@H]1C ZINC000174735815 437087700 /nfs/dbraw/zinc/08/77/00/437087700.db2.gz QBLBBIYTQBNBAK-JKSUJKDBSA-N 2 2 349.479 0.985 10 0 ECAELP CCOCC[N@H+]1CCN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)C[C@@H]1C ZINC000174735815 437087704 /nfs/dbraw/zinc/08/77/04/437087704.db2.gz QBLBBIYTQBNBAK-JKSUJKDBSA-N 2 2 349.479 0.985 10 0 ECAELP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC1 ZINC000184702988 437409298 /nfs/dbraw/zinc/40/92/98/437409298.db2.gz KJXFBRLHZOEHJN-LSDHHAIUSA-N 2 2 338.452 0.980 10 0 ECAELP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCCC[NH+]2CCOCC2)C[C@@H]1C ZINC000185398821 437436825 /nfs/dbraw/zinc/43/68/25/437436825.db2.gz KMQXZMYDJUEJND-JKSUJKDBSA-N 2 2 342.484 0.195 10 0 ECAELP C[C@@H](O)C[N@H+]1CCN(C(=O)NCCCC[NH+]2CCOCC2)C[C@@H]1C ZINC000185398821 437436828 /nfs/dbraw/zinc/43/68/28/437436828.db2.gz KMQXZMYDJUEJND-JKSUJKDBSA-N 2 2 342.484 0.195 10 0 ECAELP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000638075814 440426498 /nfs/dbraw/zinc/42/64/98/440426498.db2.gz UFEHPWORWJLADK-RYQLBKOJSA-N 2 2 347.459 0.852 10 0 ECAELP CCC[C@@H](C(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1)[NH+](C)C ZINC000162442480 320512152 /nfs/dbraw/zinc/51/21/52/320512152.db2.gz VTFBNZTXOCWLEE-CVEARBPZSA-N 2 2 338.496 0.872 10 0 ECAELP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000261597734 545946248 /nfs/dbraw/zinc/94/62/48/545946248.db2.gz AHUYERQXWIEATP-BASYENTBSA-N 2 2 337.464 0.452 10 0 ECAELP CC[NH+]1CCN(CCC(=O)N2C[C@H](OC)C[C@@H]2c2[nH]cc[nH+]2)CC1 ZINC000888077586 586246021 /nfs/dbraw/zinc/24/60/21/586246021.db2.gz KGDJECDFZIYDJZ-HUUCEWRRSA-N 2 2 335.452 0.726 10 0 ECAELP Cc1cc(N2CCC[C@H](NC(=O)[C@@]3(C)C[C@@H](O)C[N@H+]3C)C2)nc(C)[nH+]1 ZINC000900636165 586650209 /nfs/dbraw/zinc/65/02/09/586650209.db2.gz ISRWSUZIDKWITN-HDMKZQKVSA-N 2 2 347.463 0.634 10 0 ECAELP Cc1cc(N2CCC[C@H](NC(=O)[C@@]3(C)C[C@@H](O)C[N@@H+]3C)C2)nc(C)[nH+]1 ZINC000900636165 586650210 /nfs/dbraw/zinc/65/02/10/586650210.db2.gz ISRWSUZIDKWITN-HDMKZQKVSA-N 2 2 347.463 0.634 10 0 ECAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CN1C(=O)NC2(CCOCC2)C1=O ZINC000176085068 608772460 /nfs/dbraw/zinc/77/24/60/608772460.db2.gz IDPBCWVHQKLIRY-AWEZNQCLSA-N 2 2 347.419 0.714 10 0 ECAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CN1C(=O)NC2(CCOCC2)C1=O ZINC000176085068 608772464 /nfs/dbraw/zinc/77/24/64/608772464.db2.gz IDPBCWVHQKLIRY-AWEZNQCLSA-N 2 2 347.419 0.714 10 0 ECAELP CC(C)NC(=O)CC[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000105845937 201061668 /nfs/dbraw/zinc/06/16/68/201061668.db2.gz YFOQXSSISRXPOM-KRWDZBQOSA-N 2 2 340.512 0.628 10 0 ECAELP CC(C)NC(=O)CC[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000105845937 201061671 /nfs/dbraw/zinc/06/16/71/201061671.db2.gz YFOQXSSISRXPOM-KRWDZBQOSA-N 2 2 340.512 0.628 10 0 ECAELP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000071837124 203124274 /nfs/dbraw/zinc/12/42/74/203124274.db2.gz TXAGYXQNFZRTBK-UHFFFAOYSA-N 2 2 332.383 0.270 10 0 ECAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NCC(=O)N2CCCC2)C1 ZINC000105897265 204177761 /nfs/dbraw/zinc/17/77/61/204177761.db2.gz FHVZUFOAYFJPAC-HNNXBMFYSA-N 2 2 347.463 0.821 10 0 ECAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NCC(=O)N2CCCC2)C1 ZINC000105897265 204177765 /nfs/dbraw/zinc/17/77/65/204177765.db2.gz FHVZUFOAYFJPAC-HNNXBMFYSA-N 2 2 347.463 0.821 10 0 ECAELP CC[N@H+](C)[C@H](C(=O)NC[C@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC000128085983 205131423 /nfs/dbraw/zinc/13/14/23/205131423.db2.gz LGMVLLJNNVOZNB-IRXDYDNUSA-N 2 2 335.448 0.489 10 0 ECAELP CC[N@@H+](C)[C@H](C(=O)NC[C@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC000128085983 205131427 /nfs/dbraw/zinc/13/14/27/205131427.db2.gz LGMVLLJNNVOZNB-IRXDYDNUSA-N 2 2 335.448 0.489 10 0 ECAELP C[C@H]1C[N@@H+](C2CC[NH+](C[C@@H](O)COC3CCOCC3)CC2)CCO1 ZINC000246162041 205182298 /nfs/dbraw/zinc/18/22/98/205182298.db2.gz DIULSDQGXCNNOI-DOTOQJQBSA-N 2 2 342.480 0.728 10 0 ECAELP C[C@H]1C[N@H+](C2CC[NH+](C[C@@H](O)COC3CCOCC3)CC2)CCO1 ZINC000246162041 205182302 /nfs/dbraw/zinc/18/23/02/205182302.db2.gz DIULSDQGXCNNOI-DOTOQJQBSA-N 2 2 342.480 0.728 10 0 ECAELP CC[NH+](CC)[C@@H](C(=O)NC[C@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC000132737654 205338974 /nfs/dbraw/zinc/33/89/74/205338974.db2.gz AKCJYUYQIDMVJL-ZWKOTPCHSA-N 2 2 349.475 0.879 10 0 ECAELP COc1ccc(C[NH2+][C@@H]2[C@H]3CO[C@H](O3)[C@H]([NH+]3CCCC3)[C@H]2O)cc1 ZINC000012529638 207164373 /nfs/dbraw/zinc/16/43/73/207164373.db2.gz QHUXYUCFGGXDRC-HSFUPAIVSA-N 2 2 334.416 0.734 10 0 ECAELP COCC[N@@H+]1CCN(C(=O)NCCCC[NH+]2CCOCC2)C[C@H]1C ZINC000117478663 221068911 /nfs/dbraw/zinc/06/89/11/221068911.db2.gz IFUWLINLOJDFJO-MRXNPFEDSA-N 2 2 342.484 0.461 10 0 ECAELP COCC[N@H+]1CCN(C(=O)NCCCC[NH+]2CCOCC2)C[C@H]1C ZINC000117478663 221068912 /nfs/dbraw/zinc/06/89/12/221068912.db2.gz IFUWLINLOJDFJO-MRXNPFEDSA-N 2 2 342.484 0.461 10 0 ECAELP COCC[N@@H+]1CCN(C(=O)NC[C@@H](C)[NH+]2CCOCC2)C[C@H]1C ZINC000117477511 221068947 /nfs/dbraw/zinc/06/89/47/221068947.db2.gz FJVPQTMUIHEFOQ-HUUCEWRRSA-N 2 2 328.457 0.069 10 0 ECAELP COCC[N@H+]1CCN(C(=O)NC[C@@H](C)[NH+]2CCOCC2)C[C@H]1C ZINC000117477511 221068949 /nfs/dbraw/zinc/06/89/49/221068949.db2.gz FJVPQTMUIHEFOQ-HUUCEWRRSA-N 2 2 328.457 0.069 10 0 ECAELP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@H](C)[NH+]2CCOCC2)C1 ZINC000247398576 165160347 /nfs/dbraw/zinc/16/03/47/165160347.db2.gz QXCFDVWGLRKEPR-JKSUJKDBSA-N 2 2 326.485 0.984 10 0 ECAELP CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@H](C)[NH+]2CCOCC2)C1 ZINC000247398576 165160352 /nfs/dbraw/zinc/16/03/52/165160352.db2.gz QXCFDVWGLRKEPR-JKSUJKDBSA-N 2 2 326.485 0.984 10 0 ECAELP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NCCc2cn3c([nH+]2)CCCC3)cn1 ZINC000262264781 165318546 /nfs/dbraw/zinc/31/85/46/165318546.db2.gz MLRFWCUDJSZXDE-CVEARBPZSA-N 2 2 342.447 0.615 10 0 ECAELP COC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000262351276 165335152 /nfs/dbraw/zinc/33/51/52/165335152.db2.gz UMOKECYTGXGSFC-HNNXBMFYSA-N 2 2 337.420 0.322 10 0 ECAELP COC(=O)Cn1ncc2c1nc[nH+]c2N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000301558920 296888345 /nfs/dbraw/zinc/88/83/45/296888345.db2.gz OCTISGJUHRKZBH-GFCCVEGCSA-N 2 2 341.375 0.865 10 0 ECAELP C[C@H]1C[C@H]([NH2+]CCN2CCN(c3ncccn3)CC2)C[N@@H+]1C1CC1 ZINC000079073595 436289343 /nfs/dbraw/zinc/28/93/43/436289343.db2.gz SZUUYCYFLGIIAA-HOTGVXAUSA-N 2 2 330.480 0.813 10 0 ECAELP C[C@H]1C[C@H]([NH2+]CCN2CCN(c3ncccn3)CC2)C[N@H+]1C1CC1 ZINC000079073595 436289347 /nfs/dbraw/zinc/28/93/47/436289347.db2.gz SZUUYCYFLGIIAA-HOTGVXAUSA-N 2 2 330.480 0.813 10 0 ECAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)N2CCOCC2)C1 ZINC000195273782 436686524 /nfs/dbraw/zinc/68/65/24/436686524.db2.gz LFTCREPWTHFYDL-KRWDZBQOSA-N 2 2 332.448 0.694 10 0 ECAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)N2CCOCC2)C1 ZINC000195273782 436686528 /nfs/dbraw/zinc/68/65/28/436686528.db2.gz LFTCREPWTHFYDL-KRWDZBQOSA-N 2 2 332.448 0.694 10 0 ECAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000195273782 436686530 /nfs/dbraw/zinc/68/65/30/436686530.db2.gz LFTCREPWTHFYDL-KRWDZBQOSA-N 2 2 332.448 0.694 10 0 ECAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000195273782 436686533 /nfs/dbraw/zinc/68/65/33/436686533.db2.gz LFTCREPWTHFYDL-KRWDZBQOSA-N 2 2 332.448 0.694 10 0 ECAELP C[NH+](C)C[C@@H]1CC[NH+](CCOCC[N@H+]2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000247240845 436791336 /nfs/dbraw/zinc/79/13/36/436791336.db2.gz ZXYOQCLXPZVCFW-ROUUACIJSA-N 4 2 326.529 0.770 10 0 ECAELP C[NH+](C)C[C@@H]1CC[NH+](CCOCC[N@@H+]2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000247240845 436791339 /nfs/dbraw/zinc/79/13/39/436791339.db2.gz ZXYOQCLXPZVCFW-ROUUACIJSA-N 4 2 326.529 0.770 10 0 ECAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000263311342 436962700 /nfs/dbraw/zinc/96/27/00/436962700.db2.gz YRZPJTUHNHVZCO-ONGXEEELSA-N 2 2 329.194 0.848 10 0 ECAELP COc1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c(Br)c1O ZINC000263213578 436956433 /nfs/dbraw/zinc/95/64/33/436956433.db2.gz KNSVXQAIPFCVDY-VHSXEESVSA-N 2 2 331.210 0.833 10 0 ECAELP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263235247 436957382 /nfs/dbraw/zinc/95/73/82/436957382.db2.gz NWAVGIGFPYHAQR-KGLIPLIRSA-N 2 2 330.423 0.612 10 0 ECAELP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263235247 436957385 /nfs/dbraw/zinc/95/73/85/436957385.db2.gz NWAVGIGFPYHAQR-KGLIPLIRSA-N 2 2 330.423 0.612 10 0 ECAELP COC[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000263274820 436959176 /nfs/dbraw/zinc/95/91/76/436959176.db2.gz YAMDEIBFXSCKBV-CQSZACIVSA-N 2 2 325.384 0.452 10 0 ECAELP COCC[N@@H+]1CCN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)C[C@@H]1C ZINC000174734780 437087944 /nfs/dbraw/zinc/08/79/44/437087944.db2.gz SHWBAHYZMNCOEV-LSDHHAIUSA-N 2 2 335.452 0.595 10 0 ECAELP COCC[N@H+]1CCN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)C[C@@H]1C ZINC000174734780 437087946 /nfs/dbraw/zinc/08/79/46/437087946.db2.gz SHWBAHYZMNCOEV-LSDHHAIUSA-N 2 2 335.452 0.595 10 0 ECAELP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000174750161 437088014 /nfs/dbraw/zinc/08/80/14/437088014.db2.gz IEGGUWIGMVHJOM-GJZGRUSLSA-N 2 2 328.457 0.069 10 0 ECAELP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000174750161 437088017 /nfs/dbraw/zinc/08/80/17/437088017.db2.gz IEGGUWIGMVHJOM-GJZGRUSLSA-N 2 2 328.457 0.069 10 0 ECAELP CC(C)([NH3+])CC(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000178782148 437229683 /nfs/dbraw/zinc/22/96/83/437229683.db2.gz SWRRQNNKOFYGNV-HNNXBMFYSA-N 2 2 335.448 0.698 10 0 ECAELP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000181809727 437330509 /nfs/dbraw/zinc/33/05/09/437330509.db2.gz TUDCGJIHUNZIMW-HOTGVXAUSA-N 2 2 342.484 0.053 10 0 ECAELP C[C@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1)N1CC[NH2+]CC1=O ZINC000638303204 440505263 /nfs/dbraw/zinc/50/52/63/440505263.db2.gz WWSLQNZCWJGTOT-LSDHHAIUSA-N 2 2 332.448 0.443 10 0 ECAELP C[C@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1)N1CC[NH2+]CC1=O ZINC000638303204 440505266 /nfs/dbraw/zinc/50/52/66/440505266.db2.gz WWSLQNZCWJGTOT-LSDHHAIUSA-N 2 2 332.448 0.443 10 0 ECAELP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCO1)c1cccs1 ZINC000246326333 282242464 /nfs/dbraw/zinc/24/24/64/282242464.db2.gz ALOTZUPRHBESJP-CHWSQXEVSA-N 2 2 326.466 0.981 10 0 ECAELP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1cccs1 ZINC000246326333 282242465 /nfs/dbraw/zinc/24/24/65/282242465.db2.gz ALOTZUPRHBESJP-CHWSQXEVSA-N 2 2 326.466 0.981 10 0 ECAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CC[C@@H]3CCOC3=O)CC2)C1 ZINC000120473921 201082668 /nfs/dbraw/zinc/08/26/68/201082668.db2.gz XXLQNINFUSCLNH-SJORKVTESA-N 2 2 339.480 0.666 10 0 ECAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CC[C@@H]3CCOC3=O)CC2)C1 ZINC000120473921 201082671 /nfs/dbraw/zinc/08/26/71/201082671.db2.gz XXLQNINFUSCLNH-SJORKVTESA-N 2 2 339.480 0.666 10 0 ECAELP CC[NH+](CC)[C@H](C(=O)NC[C@@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC000132737832 205339506 /nfs/dbraw/zinc/33/95/06/205339506.db2.gz AKCJYUYQIDMVJL-MSOLQXFVSA-N 2 2 349.475 0.879 10 0 ECAELP C[NH2+][C@@H](C(=O)NCc1ccnc(-n2cc[nH+]c2)c1)c1cnn(C)c1 ZINC000262029903 165278875 /nfs/dbraw/zinc/27/88/75/165278875.db2.gz BKDSAIRNKKEWDD-OAHLLOKOSA-N 2 2 325.376 0.578 10 0 ECAELP O=C(NCc1cn2c([nH+]1)CCCC2)C1(n2cccn2)CC[NH2+]CC1 ZINC000262115221 165292857 /nfs/dbraw/zinc/29/28/57/165292857.db2.gz FOJIUYGLUILIHR-UHFFFAOYSA-N 2 2 328.420 0.811 10 0 ECAELP C[C@H](C(=O)NCc1ccccc1OCC[NH+]1CCOCC1)C1C[NH2+]C1 ZINC000262331673 165331229 /nfs/dbraw/zinc/33/12/29/165331229.db2.gz GUNWTZRUSWDVES-HNNXBMFYSA-N 2 2 347.459 0.869 10 0 ECAELP OC[C@H]1CCCN1c1cc(N2CC[NH+](C[C@H]3CCOC3)CC2)nc[nH+]1 ZINC000301584873 296888831 /nfs/dbraw/zinc/88/88/31/296888831.db2.gz VTBBBSUYFJGBAE-HZPDHXFCSA-N 2 2 347.463 0.596 10 0 ECAELP CC[C@@H]1CN(C(=O)N[C@H](C)C[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC000246954202 280361383 /nfs/dbraw/zinc/36/13/83/280361383.db2.gz DCCTWEPKKVEYLS-HZPDHXFCSA-N 2 2 342.484 0.459 10 0 ECAELP CC[C@@H]1CN(C(=O)N[C@H](C)C[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC000246954202 280361384 /nfs/dbraw/zinc/36/13/84/280361384.db2.gz DCCTWEPKKVEYLS-HZPDHXFCSA-N 2 2 342.484 0.459 10 0 ECAELP CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000184940501 289018304 /nfs/dbraw/zinc/01/83/04/289018304.db2.gz NORLTZBVZPSVMV-SJORKVTESA-N 2 2 346.475 0.958 10 0 ECAELP CN(C)C(=O)[C@H]1CCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000184940501 289018305 /nfs/dbraw/zinc/01/83/05/289018305.db2.gz NORLTZBVZPSVMV-SJORKVTESA-N 2 2 346.475 0.958 10 0 ECAELP CCCNC(=O)[C@H](C)[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000105845740 436581709 /nfs/dbraw/zinc/58/17/09/436581709.db2.gz OXILNCZZENFUKM-IRXDYDNUSA-N 2 2 340.512 0.628 10 0 ECAELP CCCNC(=O)[C@H](C)[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000105845740 436581712 /nfs/dbraw/zinc/58/17/12/436581712.db2.gz OXILNCZZENFUKM-IRXDYDNUSA-N 2 2 340.512 0.628 10 0 ECAELP CCCNC(=O)[C@@H](C)[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000105845726 436581764 /nfs/dbraw/zinc/58/17/64/436581764.db2.gz OXILNCZZENFUKM-IAGOWNOFSA-N 2 2 340.512 0.628 10 0 ECAELP CCCNC(=O)[C@@H](C)[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000105845726 436581767 /nfs/dbraw/zinc/58/17/67/436581767.db2.gz OXILNCZZENFUKM-IAGOWNOFSA-N 2 2 340.512 0.628 10 0 ECAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(=O)NC(=O)NC2CC2)C1 ZINC000195291716 436686247 /nfs/dbraw/zinc/68/62/47/436686247.db2.gz QUBKMNWDFATVTO-OAHLLOKOSA-N 2 2 345.447 0.824 10 0 ECAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(=O)NC(=O)NC2CC2)C1 ZINC000195291716 436686249 /nfs/dbraw/zinc/68/62/49/436686249.db2.gz QUBKMNWDFATVTO-OAHLLOKOSA-N 2 2 345.447 0.824 10 0 ECAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000195291716 436686250 /nfs/dbraw/zinc/68/62/50/436686250.db2.gz QUBKMNWDFATVTO-OAHLLOKOSA-N 2 2 345.447 0.824 10 0 ECAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000195291716 436686254 /nfs/dbraw/zinc/68/62/54/436686254.db2.gz QUBKMNWDFATVTO-OAHLLOKOSA-N 2 2 345.447 0.824 10 0 ECAELP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](O)COC(C)(C)C)CC1 ZINC000162285277 436903797 /nfs/dbraw/zinc/90/37/97/436903797.db2.gz YNCATVYFEABEOJ-CABCVRRESA-N 2 2 327.469 0.401 10 0 ECAELP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](O)COC(C)(C)C)CC1 ZINC000162285277 436903801 /nfs/dbraw/zinc/90/38/01/436903801.db2.gz YNCATVYFEABEOJ-CABCVRRESA-N 2 2 327.469 0.401 10 0 ECAELP O=C(NC1CC[NH+](CC2CC2)CC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173780487 437064318 /nfs/dbraw/zinc/06/43/18/437064318.db2.gz VPHHJBBUBSCVGU-KRWDZBQOSA-N 2 2 336.480 0.977 10 0 ECAELP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000174494522 437080968 /nfs/dbraw/zinc/08/09/68/437080968.db2.gz FGVVSEKJAFKMRC-IAGOWNOFSA-N 2 2 339.480 0.713 10 0 ECAELP CC[C@H]1CN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)CC[N@@H+]1CCOC ZINC000174736861 437087916 /nfs/dbraw/zinc/08/79/16/437087916.db2.gz GCEPYOCKAODNHX-JKSUJKDBSA-N 2 2 349.479 0.985 10 0 ECAELP CC[C@H]1CN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)CC[N@H+]1CCOC ZINC000174736861 437087917 /nfs/dbraw/zinc/08/79/17/437087917.db2.gz GCEPYOCKAODNHX-JKSUJKDBSA-N 2 2 349.479 0.985 10 0 ECAELP C[C@@H]([NH2+]CC(=O)N1CCNC(=O)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180651579 437298090 /nfs/dbraw/zinc/29/80/90/437298090.db2.gz FAWPBKQBAOSKCL-CYBMUJFWSA-N 2 2 327.388 0.481 10 0 ECAELP CC[C@@H](O)C[NH+]1CCN(C(=O)NCc2ccc[nH+]c2N(C)C)CC1 ZINC000184832523 437414488 /nfs/dbraw/zinc/41/44/88/437414488.db2.gz OXKAFHBIJZNTPJ-OAHLLOKOSA-N 2 2 335.452 0.746 10 0 ECAELP C[NH+](C)C[C@H]1CN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CCO1 ZINC000172133443 282136939 /nfs/dbraw/zinc/13/69/39/282136939.db2.gz YUDIOIBDHMJPCN-AWEZNQCLSA-N 2 2 328.457 0.069 10 0 ECAELP C[NH+](C)C[C@H]1CN(C(=O)NCC[N@H+]2CCOCC2(C)C)CCO1 ZINC000172133443 282136945 /nfs/dbraw/zinc/13/69/45/282136945.db2.gz YUDIOIBDHMJPCN-AWEZNQCLSA-N 2 2 328.457 0.069 10 0 ECAELP [NH3+][C@@H]1CC[C@@H](C(=O)N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)C1 ZINC000246167673 205181329 /nfs/dbraw/zinc/18/13/29/205181329.db2.gz AXQLWVWPWDXYDQ-ZACQAIPSSA-N 2 2 347.459 0.698 10 0 ECAELP C[C@@H](NC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)C(=O)N(C)C ZINC000195516003 165084536 /nfs/dbraw/zinc/08/45/36/165084536.db2.gz BBPVAIDXZPXSBW-ZIAGYGMSSA-N 2 2 333.436 0.408 10 0 ECAELP C[C@@H](NC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)C(=O)N(C)C ZINC000195516003 165084545 /nfs/dbraw/zinc/08/45/45/165084545.db2.gz BBPVAIDXZPXSBW-ZIAGYGMSSA-N 2 2 333.436 0.408 10 0 ECAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCS[C@@H](C)C2)C1 ZINC000246080045 165123797 /nfs/dbraw/zinc/12/37/97/165123797.db2.gz DHTBKAVJNKZQML-GJZGRUSLSA-N 2 2 329.510 0.897 10 0 ECAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCS[C@@H](C)C2)C1 ZINC000246080045 165123800 /nfs/dbraw/zinc/12/38/00/165123800.db2.gz DHTBKAVJNKZQML-GJZGRUSLSA-N 2 2 329.510 0.897 10 0 ECAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCS[C@@H](C)C2)C1 ZINC000246080045 165123802 /nfs/dbraw/zinc/12/38/02/165123802.db2.gz DHTBKAVJNKZQML-GJZGRUSLSA-N 2 2 329.510 0.897 10 0 ECAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCS[C@@H](C)C2)C1 ZINC000246080045 165123807 /nfs/dbraw/zinc/12/38/07/165123807.db2.gz DHTBKAVJNKZQML-GJZGRUSLSA-N 2 2 329.510 0.897 10 0 ECAELP C[C@H](CNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000246361348 165131415 /nfs/dbraw/zinc/13/14/15/165131415.db2.gz FKDXEYCOIBJCLV-ILXRZTDVSA-N 2 2 328.457 0.116 10 0 ECAELP CC[C@H]1CN(C(=O)NC[C@H](C)[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC000246996752 165150337 /nfs/dbraw/zinc/15/03/37/165150337.db2.gz GJYNXWUXZAWWPC-HOTGVXAUSA-N 2 2 342.484 0.459 10 0 ECAELP CC[C@H]1CN(C(=O)NC[C@H](C)[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC000246996752 165150340 /nfs/dbraw/zinc/15/03/40/165150340.db2.gz GJYNXWUXZAWWPC-HOTGVXAUSA-N 2 2 342.484 0.459 10 0 ECAELP [NH3+][C@H](C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)C1CCOCC1 ZINC000261932403 165266212 /nfs/dbraw/zinc/26/62/12/165266212.db2.gz ISOGTWIGDGRORQ-GOEBONIOSA-N 2 2 343.493 0.064 10 0 ECAELP C[C@H]1OCC[NH2+][C@@H]1C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000262407397 165346085 /nfs/dbraw/zinc/34/60/85/165346085.db2.gz YYOZJYIPHHYTBS-KCXAZCMYSA-N 2 2 346.431 0.452 10 0 ECAELP C[C@H]1OCC[NH2+][C@@H]1C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000262407397 165346089 /nfs/dbraw/zinc/34/60/89/165346089.db2.gz YYOZJYIPHHYTBS-KCXAZCMYSA-N 2 2 346.431 0.452 10 0 ECAELP C[C@H](CNc1cc(N2CCC[C@H]2CO)[nH+]cn1)N1CC[NH+](C)CC1 ZINC000301229523 296883784 /nfs/dbraw/zinc/88/37/84/296883784.db2.gz IPGRSTHAJMNWJT-CABCVRRESA-N 2 2 334.468 0.486 10 0 ECAELP C[C@H]1CN(C(=O)c2cnn3ncccc23)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000333065589 297105768 /nfs/dbraw/zinc/10/57/68/297105768.db2.gz TYCQCTYATSGXTD-AWEZNQCLSA-N 2 2 342.447 0.970 10 0 ECAELP C[C@H]1CN(C(=O)c2cnn3ncccc23)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000333065589 297105770 /nfs/dbraw/zinc/10/57/70/297105770.db2.gz TYCQCTYATSGXTD-AWEZNQCLSA-N 2 2 342.447 0.970 10 0 ECAELP C[C@H](CNC(=O)NCC1([NH+](C)C)CCOCC1)[NH+]1CCOCC1 ZINC000074010908 436102089 /nfs/dbraw/zinc/10/20/89/436102089.db2.gz CSVMIZYMLMUQEI-CQSZACIVSA-N 2 2 328.457 0.117 10 0 ECAELP Cn1ccnc1C[NH+]1CCC(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000195334257 436688231 /nfs/dbraw/zinc/68/82/31/436688231.db2.gz XQMGIWCSJAJDQL-MRXNPFEDSA-N 2 2 331.464 0.939 10 0 ECAELP Cn1ccnc1C[NH+]1CCC(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000195334257 436688234 /nfs/dbraw/zinc/68/82/34/436688234.db2.gz XQMGIWCSJAJDQL-MRXNPFEDSA-N 2 2 331.464 0.939 10 0 ECAELP C[N@@H+]1Cc2ccc(NC(=O)C(=O)NC[C@H]3C[NH+](C)CCO3)cc2C1 ZINC000118115864 436661180 /nfs/dbraw/zinc/66/11/80/436661180.db2.gz WHENOVONMMZDEG-HNNXBMFYSA-N 2 2 332.404 0.017 10 0 ECAELP C[N@H+]1Cc2ccc(NC(=O)C(=O)NC[C@H]3C[NH+](C)CCO3)cc2C1 ZINC000118115864 436661186 /nfs/dbraw/zinc/66/11/86/436661186.db2.gz WHENOVONMMZDEG-HNNXBMFYSA-N 2 2 332.404 0.017 10 0 ECAELP C[NH+]1Cc2ccc(NC(=O)C(=O)NC[C@H]3C[N@H+](C)CCO3)cc2C1 ZINC000118115864 436661189 /nfs/dbraw/zinc/66/11/89/436661189.db2.gz WHENOVONMMZDEG-HNNXBMFYSA-N 2 2 332.404 0.017 10 0 ECAELP C[NH+]1Cc2ccc(NC(=O)C(=O)NC[C@H]3C[N@@H+](C)CCO3)cc2C1 ZINC000118115864 436661192 /nfs/dbraw/zinc/66/11/92/436661192.db2.gz WHENOVONMMZDEG-HNNXBMFYSA-N 2 2 332.404 0.017 10 0 ECAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@@H](O)C(F)(F)F)CC2)C1 ZINC000248400035 436802079 /nfs/dbraw/zinc/80/20/79/436802079.db2.gz PTLMUSOQJXZIAM-UONOGXRCSA-N 2 2 339.402 0.636 10 0 ECAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@@H](O)C(F)(F)F)CC2)C1 ZINC000248400035 436802082 /nfs/dbraw/zinc/80/20/82/436802082.db2.gz PTLMUSOQJXZIAM-UONOGXRCSA-N 2 2 339.402 0.636 10 0 ECAELP CCN(Cc1cnn(CC)c1)C(=O)[C@@H]1C[C@@H](O)C[N@@H+]1C1CC[NH2+]CC1 ZINC000253407434 436840955 /nfs/dbraw/zinc/84/09/55/436840955.db2.gz JWHBXPSJUOTJCR-SJORKVTESA-N 2 2 349.479 0.439 10 0 ECAELP CCN(Cc1cnn(CC)c1)C(=O)[C@@H]1C[C@@H](O)C[N@H+]1C1CC[NH2+]CC1 ZINC000253407434 436840960 /nfs/dbraw/zinc/84/09/60/436840960.db2.gz JWHBXPSJUOTJCR-SJORKVTESA-N 2 2 349.479 0.439 10 0 ECAELP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000262290023 436921098 /nfs/dbraw/zinc/92/10/98/436921098.db2.gz NHTYEEVMABANLE-OAGGEKHMSA-N 2 2 336.480 0.659 10 0 ECAELP COC[C@@H]([NH3+])C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000263270745 436958563 /nfs/dbraw/zinc/95/85/63/436958563.db2.gz WVAXUAVDAUDLEA-OAHLLOKOSA-N 2 2 341.839 0.837 10 0 ECAELP COC[C@H]([NH3+])C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000263270740 436959663 /nfs/dbraw/zinc/95/96/63/436959663.db2.gz WVAXUAVDAUDLEA-HNNXBMFYSA-N 2 2 341.839 0.837 10 0 ECAELP Cn1cc(C[N@@H+]2CCCN(C(=O)NCCCn3cc[nH+]c3)CC2)cn1 ZINC000172121090 436999181 /nfs/dbraw/zinc/99/91/81/436999181.db2.gz UKKDCBZGZKRFPT-UHFFFAOYSA-N 2 2 345.451 0.924 10 0 ECAELP Cn1cc(C[N@H+]2CCCN(C(=O)NCCCn3cc[nH+]c3)CC2)cn1 ZINC000172121090 436999183 /nfs/dbraw/zinc/99/91/83/436999183.db2.gz UKKDCBZGZKRFPT-UHFFFAOYSA-N 2 2 345.451 0.924 10 0 ECAELP C[C@@H]1CN(C(=O)c2ccnn2CC[NH+](C)C)C[C@@H]1[NH+]1CCOCC1 ZINC000900879342 586672032 /nfs/dbraw/zinc/67/20/32/586672032.db2.gz KEMOXUFDCWARPN-ZBFHGGJFSA-N 2 2 335.452 0.237 10 0 ECAELP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1C[N@H+](C)CCO1)c1cccs1 ZINC000104799187 282176076 /nfs/dbraw/zinc/17/60/76/282176076.db2.gz ALOTZUPRHBESJP-STQMWFEESA-N 2 2 326.466 0.981 10 0 ECAELP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCO1)c1cccs1 ZINC000104799187 282176078 /nfs/dbraw/zinc/17/60/78/282176078.db2.gz ALOTZUPRHBESJP-STQMWFEESA-N 2 2 326.466 0.981 10 0 ECAELP CCOC(=O)C1CCC(O)(C[N@@H+]2CCO[C@@H](C[NH+](C)C)C2)CC1 ZINC000190869275 165027071 /nfs/dbraw/zinc/02/70/71/165027071.db2.gz QRGDEFKEQVSZDT-CKDBGZEDSA-N 2 2 328.453 0.733 10 0 ECAELP CCOC(=O)C1CCC(O)(C[N@H+]2CCO[C@@H](C[NH+](C)C)C2)CC1 ZINC000190869275 165027072 /nfs/dbraw/zinc/02/70/72/165027072.db2.gz QRGDEFKEQVSZDT-CKDBGZEDSA-N 2 2 328.453 0.733 10 0 ECAELP C[C@H](NC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)C(=O)N(C)C ZINC000195516001 165083775 /nfs/dbraw/zinc/08/37/75/165083775.db2.gz BBPVAIDXZPXSBW-UONOGXRCSA-N 2 2 333.436 0.408 10 0 ECAELP C[C@H](NC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)C(=O)N(C)C ZINC000195516001 165083779 /nfs/dbraw/zinc/08/37/79/165083779.db2.gz BBPVAIDXZPXSBW-UONOGXRCSA-N 2 2 333.436 0.408 10 0 ECAELP [NH3+]C[C@H]1CCC[C@H]1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000261659310 165222769 /nfs/dbraw/zinc/22/27/69/165222769.db2.gz FCAPIZSZOPEMHC-IIAWOOMASA-N 2 2 327.494 0.686 10 0 ECAELP C[C@H](CNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)[NH+]1CCOCC1 ZINC000041602174 436279629 /nfs/dbraw/zinc/27/96/29/436279629.db2.gz KGGKDZKHJADJGX-CQSZACIVSA-N 2 2 348.447 0.524 10 0 ECAELP C[N@@H+]1CCO[C@H](CNC(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000104798375 436563527 /nfs/dbraw/zinc/56/35/27/436563527.db2.gz DDSCHDCCROQEBL-MRXNPFEDSA-N 2 2 340.468 0.071 10 0 ECAELP C[N@H+]1CCO[C@H](CNC(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000104798375 436563531 /nfs/dbraw/zinc/56/35/31/436563531.db2.gz DDSCHDCCROQEBL-MRXNPFEDSA-N 2 2 340.468 0.071 10 0 ECAELP C[C@H](CN1CC[NH+](C)CC1)Nc1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000106483314 436596896 /nfs/dbraw/zinc/59/68/96/436596896.db2.gz JSZYFLGIUNMSKY-HUUCEWRRSA-N 2 2 334.468 0.486 10 0 ECAELP C[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1ccccn1)[NH+]1CCOCC1 ZINC000107388414 436611618 /nfs/dbraw/zinc/61/16/18/436611618.db2.gz OHYPRUBITZVGEO-INIZCTEOSA-N 2 2 349.479 0.876 10 0 ECAELP COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261758863 436886826 /nfs/dbraw/zinc/88/68/26/436886826.db2.gz CTIGGRHWVYSAMP-GJZGRUSLSA-N 2 2 333.498 0.358 10 0 ECAELP COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261758863 436886829 /nfs/dbraw/zinc/88/68/29/436886829.db2.gz CTIGGRHWVYSAMP-GJZGRUSLSA-N 2 2 333.498 0.358 10 0 ECAELP COCCC[NH+]1CCC(NC(=O)NC[C@H](C)[NH+]2CCOCC2)CC1 ZINC000171195936 436971816 /nfs/dbraw/zinc/97/18/16/436971816.db2.gz QEVVKCBTNSPIBQ-HNNXBMFYSA-N 2 2 342.484 0.507 10 0 ECAELP C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000171287922 436976194 /nfs/dbraw/zinc/97/61/94/436976194.db2.gz CJNGYUVCQIZJAK-GOSISDBHSA-N 2 2 346.475 0.251 10 0 ECAELP C[N@H+]1CCO[C@H](CNC(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000171287922 436976199 /nfs/dbraw/zinc/97/61/99/436976199.db2.gz CJNGYUVCQIZJAK-GOSISDBHSA-N 2 2 346.475 0.251 10 0 ECAELP C[N@@H+]1CCO[C@@H](CNC(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000171287928 436976659 /nfs/dbraw/zinc/97/66/59/436976659.db2.gz CJNGYUVCQIZJAK-SFHVURJKSA-N 2 2 346.475 0.251 10 0 ECAELP C[N@H+]1CCO[C@@H](CNC(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000171287928 436976664 /nfs/dbraw/zinc/97/66/64/436976664.db2.gz CJNGYUVCQIZJAK-SFHVURJKSA-N 2 2 346.475 0.251 10 0 ECAELP COc1cc(Br)c(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cc1O ZINC000263155728 436953651 /nfs/dbraw/zinc/95/36/51/436953651.db2.gz DJYSMBIPLIVQKR-BXKDBHETSA-N 2 2 331.210 0.833 10 0 ECAELP CCc1nnc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)n1C ZINC000171940922 436994010 /nfs/dbraw/zinc/99/40/10/436994010.db2.gz GENRAJXJXGKJRU-UHFFFAOYSA-N 2 2 348.495 0.754 10 0 ECAELP O=C(NCC1CC[NH+](CCO)CC1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000131745601 534820394 /nfs/dbraw/zinc/82/03/94/534820394.db2.gz FVXMWWRWWJGPBC-INIZCTEOSA-N 2 2 347.463 0.664 10 0 ECAELP CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000131710658 526609970 /nfs/dbraw/zinc/60/99/70/526609970.db2.gz BFQPCGGHLHNGGF-INIZCTEOSA-N 2 2 332.404 0.225 10 0 ECAELP CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000131710658 526609977 /nfs/dbraw/zinc/60/99/77/526609977.db2.gz BFQPCGGHLHNGGF-INIZCTEOSA-N 2 2 332.404 0.225 10 0 ECAELP CC[C@H](O)C[NH+]1CCN(C(=O)/C=C(\C)C[NH+]2CCOCC2)CC1 ZINC000900598921 586646061 /nfs/dbraw/zinc/64/60/61/586646061.db2.gz AHVRNJSXUZUZIQ-STTHAQSSSA-N 2 2 325.453 0.180 10 0 ECAELP Cn1c[nH+]c([C@@H]2CN(C(=O)c3cccnc3N3CCCC3)C[C@H]2[NH3+])c1 ZINC000864341637 590074756 /nfs/dbraw/zinc/07/47/56/590074756.db2.gz PVBCPXZDSNCPOY-HUUCEWRRSA-N 2 2 340.431 0.982 10 0 ECAELP O=C(C[NH+]1CCN(c2ccccn2)CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000173749024 231023009 /nfs/dbraw/zinc/02/30/09/231023009.db2.gz AIAYBDUMURETGK-MRXNPFEDSA-N 2 2 329.448 0.510 10 0 ECAELP O=C(C[NH+]1CCN(c2ccccn2)CC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000173749024 231023013 /nfs/dbraw/zinc/02/30/13/231023013.db2.gz AIAYBDUMURETGK-MRXNPFEDSA-N 2 2 329.448 0.510 10 0 ECAELP C[NH+]1CCN(Cc2cccc(C(=O)NC[C@H]3C[N@H+](C)CCO3)c2)CC1 ZINC000174392604 529774834 /nfs/dbraw/zinc/77/48/34/529774834.db2.gz OQEHUXHTAXQBQY-SFHVURJKSA-N 2 2 346.475 0.494 10 0 ECAELP C[NH+]1CCN(Cc2cccc(C(=O)NC[C@H]3C[N@@H+](C)CCO3)c2)CC1 ZINC000174392604 529774835 /nfs/dbraw/zinc/77/48/35/529774835.db2.gz OQEHUXHTAXQBQY-SFHVURJKSA-N 2 2 346.475 0.494 10 0 ECAELP CN(C)c1nc(N)nc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000103473722 219304534 /nfs/dbraw/zinc/30/45/34/219304534.db2.gz AHJZZBXNOHGHSA-LBPRGKRZSA-N 2 2 328.424 0.849 10 0 ECAELP CN(C)c1nc(N)nc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000103473722 219304537 /nfs/dbraw/zinc/30/45/37/219304537.db2.gz AHJZZBXNOHGHSA-LBPRGKRZSA-N 2 2 328.424 0.849 10 0 ECAELP CCOCC[NH+]1CCN(C(=O)NC[C@H](C)[NH+]2CCOCC2)CC1 ZINC000111816442 220196630 /nfs/dbraw/zinc/19/66/30/220196630.db2.gz UVEZZBVJTCWVBZ-HNNXBMFYSA-N 2 2 328.457 0.071 10 0 ECAELP CCOCC[N@@H+]1CCN(C(=O)NCC[NH+]2CCOCC2)C[C@H]1CC ZINC000117021928 221023223 /nfs/dbraw/zinc/02/32/23/221023223.db2.gz BGQWSHHLDGZAJK-MRXNPFEDSA-N 2 2 342.484 0.461 10 0 ECAELP CCOCC[N@H+]1CCN(C(=O)NCC[NH+]2CCOCC2)C[C@H]1CC ZINC000117021928 221023225 /nfs/dbraw/zinc/02/32/25/221023225.db2.gz BGQWSHHLDGZAJK-MRXNPFEDSA-N 2 2 342.484 0.461 10 0 ECAELP C[NH+](C)C[C@H]1CN(C(=O)NCc2cccnc2-n2cc[nH+]c2)CCO1 ZINC000117031097 221024207 /nfs/dbraw/zinc/02/42/07/221024207.db2.gz BEGYQGIUCBQOMU-HNNXBMFYSA-N 2 2 344.419 0.739 10 0 ECAELP COCC[N@@H+]1CCN(C(=O)N[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC000117478123 221067881 /nfs/dbraw/zinc/06/78/81/221067881.db2.gz BNYQJXAAQCEOLL-LSDHHAIUSA-N 2 2 328.457 0.069 10 0 ECAELP COCC[N@H+]1CCN(C(=O)N[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC000117478123 221067882 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ZINC000249805011 165204226 /nfs/dbraw/zinc/20/42/26/165204226.db2.gz BBPVAIDXZPXSBW-KGLIPLIRSA-N 2 2 333.436 0.408 10 0 ECAELP C[C@@H](NC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)C(=O)N(C)C ZINC000249805011 165204230 /nfs/dbraw/zinc/20/42/30/165204230.db2.gz BBPVAIDXZPXSBW-KGLIPLIRSA-N 2 2 333.436 0.408 10 0 ECAELP CC1(C)C[N@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC[C@H]1[NH3+] ZINC000261624723 165217226 /nfs/dbraw/zinc/21/72/26/165217226.db2.gz DSLUZIACIPBRQE-OAHLLOKOSA-N 2 2 348.447 0.623 10 0 ECAELP CC1(C)C[N@@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC[C@H]1[NH3+] ZINC000261624723 165217230 /nfs/dbraw/zinc/21/72/30/165217230.db2.gz DSLUZIACIPBRQE-OAHLLOKOSA-N 2 2 348.447 0.623 10 0 ECAELP COC[C@@H](C)NC(=O)NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000262247538 165316446 /nfs/dbraw/zinc/31/64/46/165316446.db2.gz PTGVKPUOIDDZFT-BMFZPTHFSA-N 2 2 348.447 0.521 10 0 ECAELP COC[C@@H](C)NC(=O)NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000262247538 165316449 /nfs/dbraw/zinc/31/64/49/165316449.db2.gz PTGVKPUOIDDZFT-BMFZPTHFSA-N 2 2 348.447 0.521 10 0 ECAELP [NH3+]CC1(C(=O)NCc2ccccc2C[NH+]2CCOCC2)CCOCC1 ZINC000262262513 165318441 /nfs/dbraw/zinc/31/84/41/165318441.db2.gz RIEBJCJEUFLMAM-UHFFFAOYSA-N 2 2 347.459 0.891 10 0 ECAELP [NH3+]CC1(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CCOCC1 ZINC000262310579 165327599 /nfs/dbraw/zinc/32/75/99/165327599.db2.gz QKDHFDAHIDGOMM-MRXNPFEDSA-N 2 2 343.493 0.066 10 0 ECAELP C[C@@H]1CC[N@H+](CCOc2ccc(S(N)(=O)=O)cc2)[C@@H](C[NH3+])C1 ZINC000262587534 165366288 /nfs/dbraw/zinc/36/62/88/165366288.db2.gz ZZASPSWGUMVEFY-CHWSQXEVSA-N 2 2 327.450 0.772 10 0 ECAELP C[C@@H]1CC[N@@H+](CCOc2ccc(S(N)(=O)=O)cc2)[C@@H](C[NH3+])C1 ZINC000262587534 165366289 /nfs/dbraw/zinc/36/62/89/165366289.db2.gz ZZASPSWGUMVEFY-CHWSQXEVSA-N 2 2 327.450 0.772 10 0 ECAELP C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)C[C@@H]1C ZINC000174352490 533687028 /nfs/dbraw/zinc/68/70/28/533687028.db2.gz FHEJHPCIDMWQSD-UONOGXRCSA-N 2 2 329.404 0.794 10 0 ECAELP C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)C[C@@H]1C ZINC000174352490 533687034 /nfs/dbraw/zinc/68/70/34/533687034.db2.gz FHEJHPCIDMWQSD-UONOGXRCSA-N 2 2 329.404 0.794 10 0 ECAELP COC(=O)[C@]1(C)CCC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000189989270 437614015 /nfs/dbraw/zinc/61/40/15/437614015.db2.gz WYHKEWXWDICKSW-KRWDZBQOSA-N 2 2 333.436 0.756 10 0 ECAELP COC(=O)[C@]1(C)CCC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000189989270 437614020 /nfs/dbraw/zinc/61/40/20/437614020.db2.gz WYHKEWXWDICKSW-KRWDZBQOSA-N 2 2 333.436 0.756 10 0 ECAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCCN(c3cccnn3)CC2)CC1 ZINC000105798017 436578127 /nfs/dbraw/zinc/57/81/27/436578127.db2.gz KTMOWRMJNQZGTN-MRXNPFEDSA-N 2 2 346.479 0.541 10 0 ECAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCCN(c3cccnn3)CC2)CC1 ZINC000105798017 436578130 /nfs/dbraw/zinc/57/81/30/436578130.db2.gz KTMOWRMJNQZGTN-MRXNPFEDSA-N 2 2 346.479 0.541 10 0 ECAELP CCCCNC(=O)C[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000105845545 436581975 /nfs/dbraw/zinc/58/19/75/436581975.db2.gz HQGIAJBTPZTKTF-QGZVFWFLSA-N 2 2 340.512 0.630 10 0 ECAELP CCCCNC(=O)C[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000105845545 436581978 /nfs/dbraw/zinc/58/19/78/436581978.db2.gz HQGIAJBTPZTKTF-QGZVFWFLSA-N 2 2 340.512 0.630 10 0 ECAELP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc(=O)n3[nH]ccc3n2)CC1 ZINC000108867539 436621373 /nfs/dbraw/zinc/62/13/73/436621373.db2.gz VITVWOPCDTYLGN-CYBMUJFWSA-N 2 2 333.436 0.547 10 0 ECAELP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc(=O)n3[nH]ccc3n2)CC1 ZINC000108867539 436621376 /nfs/dbraw/zinc/62/13/76/436621376.db2.gz VITVWOPCDTYLGN-CYBMUJFWSA-N 2 2 333.436 0.547 10 0 ECAELP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000115778827 436648725 /nfs/dbraw/zinc/64/87/25/436648725.db2.gz IFQVMDRLXSCGDF-UHFFFAOYSA-N 2 2 345.451 0.761 10 0 ECAELP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000125684547 436774120 /nfs/dbraw/zinc/77/41/20/436774120.db2.gz SSOYVVJHHLAPAA-OAHLLOKOSA-N 2 2 342.484 0.317 10 0 ECAELP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000125684547 436774125 /nfs/dbraw/zinc/77/41/25/436774125.db2.gz SSOYVVJHHLAPAA-OAHLLOKOSA-N 2 2 342.484 0.317 10 0 ECAELP CCOc1cccc(C[NH+]2CCC([N@@H+]3C[C@H](O)C[C@H]3C(N)=O)CC2)c1 ZINC000257197228 436859201 /nfs/dbraw/zinc/85/92/01/436859201.db2.gz ZRRKCOLSZAUTLA-AEFFLSMTSA-N 2 2 347.459 0.970 10 0 ECAELP CCOc1cccc(C[NH+]2CCC([N@H+]3C[C@H](O)C[C@H]3C(N)=O)CC2)c1 ZINC000257197228 436859207 /nfs/dbraw/zinc/85/92/07/436859207.db2.gz ZRRKCOLSZAUTLA-AEFFLSMTSA-N 2 2 347.459 0.970 10 0 ECAELP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000262664709 436940578 /nfs/dbraw/zinc/94/05/78/436940578.db2.gz INWGUZXZMYRQEW-PMPSAXMXSA-N 2 2 336.480 0.659 10 0 ECAELP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3CC(F)(F)CN3)CC2)CC1 ZINC000263057145 436950696 /nfs/dbraw/zinc/95/06/96/436950696.db2.gz UZDBPTOPEQJLDX-AWEZNQCLSA-N 2 2 330.423 0.658 10 0 ECAELP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3CC(F)(F)C[NH2+]3)CC2)CC1 ZINC000263057145 436950701 /nfs/dbraw/zinc/95/07/01/436950701.db2.gz UZDBPTOPEQJLDX-AWEZNQCLSA-N 3 2 330.423 0.658 10 0 ECAELP C[NH+](C)CCn1ccc(NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)n1 ZINC000173942398 437067900 /nfs/dbraw/zinc/06/79/00/437067900.db2.gz KREYZIPNLOSRFO-AWEZNQCLSA-N 2 2 336.440 0.383 10 0 ECAELP CC1(C)C[N@H+](CCNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CCO1 ZINC000173907532 437068687 /nfs/dbraw/zinc/06/86/87/437068687.db2.gz IGEXPOMRVOJWAV-OAHLLOKOSA-N 2 2 340.468 0.213 10 0 ECAELP CC1(C)C[N@@H+](CCNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CCO1 ZINC000173907532 437068690 /nfs/dbraw/zinc/06/86/90/437068690.db2.gz IGEXPOMRVOJWAV-OAHLLOKOSA-N 2 2 340.468 0.213 10 0 ECAELP COCC[N@@H+]1CCN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)C[C@H]1C ZINC000174734767 437086851 /nfs/dbraw/zinc/08/68/51/437086851.db2.gz SHWBAHYZMNCOEV-HUUCEWRRSA-N 2 2 335.452 0.595 10 0 ECAELP COCC[N@H+]1CCN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)C[C@H]1C ZINC000174734767 437086855 /nfs/dbraw/zinc/08/68/55/437086855.db2.gz SHWBAHYZMNCOEV-HUUCEWRRSA-N 2 2 335.452 0.595 10 0 ECAELP COCC(=O)NC1C[NH+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000185089368 437425070 /nfs/dbraw/zinc/42/50/70/437425070.db2.gz HGMJAXLTCTVYRM-OAHLLOKOSA-N 2 2 346.431 0.461 10 0 ECAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)CS(C)(=O)=O)nc[nH+]1 ZINC000183216283 437378871 /nfs/dbraw/zinc/37/88/71/437378871.db2.gz PQAFRZSLHKDLQA-NEPJUHHUSA-N 2 2 327.454 0.510 10 0 ECAELP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178298109 528374406 /nfs/dbraw/zinc/37/44/06/528374406.db2.gz YQBNICBGPLPMGN-HNNXBMFYSA-N 2 2 335.452 0.641 10 0 ECAELP CCCNC(=O)CN(C)C(=O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178298109 528374416 /nfs/dbraw/zinc/37/44/16/528374416.db2.gz YQBNICBGPLPMGN-HNNXBMFYSA-N 2 2 335.452 0.641 10 0 ECAELP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000246732141 545940242 /nfs/dbraw/zinc/94/02/42/545940242.db2.gz YKPDSWHMDKZNSS-RYQLBKOJSA-N 2 2 347.459 0.698 10 0 ECAELP CCN1CCO[C@H](C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634644871 547381810 /nfs/dbraw/zinc/38/18/10/547381810.db2.gz CNYTWNYEDWQSQT-RTBURBONSA-N 2 2 333.476 0.934 10 0 ECAELP CCN1CCO[C@H](C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634644871 547381813 /nfs/dbraw/zinc/38/18/13/547381813.db2.gz CNYTWNYEDWQSQT-RTBURBONSA-N 2 2 333.476 0.934 10 0 ECAELP CC[N@@H+]1CCO[C@H](CNC[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000634644871 547381817 /nfs/dbraw/zinc/38/18/17/547381817.db2.gz CNYTWNYEDWQSQT-RTBURBONSA-N 2 2 333.476 0.934 10 0 ECAELP CC[N@H+]1CCO[C@H](CNC[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000634644871 547381821 /nfs/dbraw/zinc/38/18/21/547381821.db2.gz CNYTWNYEDWQSQT-RTBURBONSA-N 2 2 333.476 0.934 10 0 ECAELP CC[NH+]1CCO[C@H](CNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634644871 547381827 /nfs/dbraw/zinc/38/18/27/547381827.db2.gz CNYTWNYEDWQSQT-RTBURBONSA-N 2 2 333.476 0.934 10 0 ECAELP CC[NH+]1CCO[C@H](CNC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634644871 547381830 /nfs/dbraw/zinc/38/18/30/547381830.db2.gz CNYTWNYEDWQSQT-RTBURBONSA-N 2 2 333.476 0.934 10 0 ECAELP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000176560849 282250110 /nfs/dbraw/zinc/25/01/10/282250110.db2.gz WOGUKEFDDOCBSG-QZTJIDSGSA-N 2 2 349.475 0.311 10 0 ECAELP C[C@@H](CNC(=O)NCC1([NH+](C)C)CCOCC1)[NH+]1CCOCC1 ZINC000074010902 164593641 /nfs/dbraw/zinc/59/36/41/164593641.db2.gz CSVMIZYMLMUQEI-AWEZNQCLSA-N 2 2 328.457 0.117 10 0 ECAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3cnc(N)s3)CC2)C1 ZINC000261962767 165269138 /nfs/dbraw/zinc/26/91/38/165269138.db2.gz HMTJTEBMTFAYKC-CQSZACIVSA-N 2 2 339.509 0.952 10 0 ECAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](Cc3cnc(N)s3)CC2)C1 ZINC000261962767 165269139 /nfs/dbraw/zinc/26/91/39/165269139.db2.gz HMTJTEBMTFAYKC-CQSZACIVSA-N 2 2 339.509 0.952 10 0 ECAELP CCn1c(C)nnc1C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261964182 165271117 /nfs/dbraw/zinc/27/11/17/165271117.db2.gz AMJRVQALVLADPJ-CABCVRRESA-N 2 2 334.468 0.687 10 0 ECAELP CCn1c(C)nnc1C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261964182 165271120 /nfs/dbraw/zinc/27/11/20/165271120.db2.gz AMJRVQALVLADPJ-CABCVRRESA-N 2 2 334.468 0.687 10 0 ECAELP C[NH2+][C@H](C(=O)NCc1ccnc(-n2cc[nH+]c2)c1)c1cnn(C)c1 ZINC000262029898 165278147 /nfs/dbraw/zinc/27/81/47/165278147.db2.gz BKDSAIRNKKEWDD-HNNXBMFYSA-N 2 2 325.376 0.578 10 0 ECAELP COC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000262318152 165329535 /nfs/dbraw/zinc/32/95/35/165329535.db2.gz PXZZMADRXUPTSV-CQSZACIVSA-N 2 2 337.420 0.152 10 0 ECAELP COC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000262318152 165329537 /nfs/dbraw/zinc/32/95/37/165329537.db2.gz PXZZMADRXUPTSV-CQSZACIVSA-N 2 2 337.420 0.152 10 0 ECAELP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@H]([NH3+])COC)cc2)CC1 ZINC000262360550 165336313 /nfs/dbraw/zinc/33/63/13/165336313.db2.gz VMCWINQBUAKFJQ-MRXNPFEDSA-N 2 2 348.447 0.305 10 0 ECAELP COC[C@@H]([NH3+])C(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000262392623 165344320 /nfs/dbraw/zinc/34/43/20/165344320.db2.gz YZAOSVAPFRFIHO-MRXNPFEDSA-N 2 2 337.420 0.192 10 0 ECAELP [NH3+]CCCCCCC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000262637258 165370681 /nfs/dbraw/zinc/37/06/81/165370681.db2.gz IFSMAYBMHTWIFH-UHFFFAOYSA-N 2 2 334.468 0.624 10 0 ECAELP Cn1cc([C@@H]2CN(C(=O)[C@H]3COCC[N@@H+]3CC3CCC3)C[C@H]2[NH3+])cn1 ZINC000333633293 297145825 /nfs/dbraw/zinc/14/58/25/297145825.db2.gz WCDJHAXFAIGOGV-GVDBMIGSSA-N 2 2 347.463 0.174 10 0 ECAELP Cn1cc([C@@H]2CN(C(=O)[C@H]3COCC[N@H+]3CC3CCC3)C[C@H]2[NH3+])cn1 ZINC000333633293 297145826 /nfs/dbraw/zinc/14/58/26/297145826.db2.gz WCDJHAXFAIGOGV-GVDBMIGSSA-N 2 2 347.463 0.174 10 0 ECAELP C[C@@H](CNC(=O)NC1CCN(CC[NH+](C)C)CC1)[NH+]1CCOCC1 ZINC000079167662 436291107 /nfs/dbraw/zinc/29/11/07/436291107.db2.gz HZTQYFAUPAYVTM-HNNXBMFYSA-N 2 2 341.500 0.032 10 0 ECAELP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000105137409 436569198 /nfs/dbraw/zinc/56/91/98/436569198.db2.gz UNDMTLXQCULHFC-OAHLLOKOSA-N 2 2 337.468 0.077 10 0 ECAELP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC000105137409 436569202 /nfs/dbraw/zinc/56/92/02/436569202.db2.gz UNDMTLXQCULHFC-OAHLLOKOSA-N 2 2 337.468 0.077 10 0 ECAELP C[N@@H+]1CCN2C[C@@H](NC(=O)C[NH+]3CCc4ccccc4C3)C[C@H]2C1 ZINC000067842600 436726007 /nfs/dbraw/zinc/72/60/07/436726007.db2.gz PZBAJDCEFRDARM-ROUUACIJSA-N 2 2 328.460 0.549 10 0 ECAELP C[N@H+]1CCN2C[C@@H](NC(=O)C[NH+]3CCc4ccccc4C3)C[C@H]2C1 ZINC000067842600 436726011 /nfs/dbraw/zinc/72/60/11/436726011.db2.gz PZBAJDCEFRDARM-ROUUACIJSA-N 2 2 328.460 0.549 10 0 ECAELP C[NH+]1CCN2C[C@@H](NC(=O)C[N@@H+]3CCc4ccccc4C3)C[C@H]2C1 ZINC000067842600 436726014 /nfs/dbraw/zinc/72/60/14/436726014.db2.gz PZBAJDCEFRDARM-ROUUACIJSA-N 2 2 328.460 0.549 10 0 ECAELP C[NH+]1CCN2C[C@@H](NC(=O)C[N@H+]3CCc4ccccc4C3)C[C@H]2C1 ZINC000067842600 436726017 /nfs/dbraw/zinc/72/60/17/436726017.db2.gz PZBAJDCEFRDARM-ROUUACIJSA-N 2 2 328.460 0.549 10 0 ECAELP CN1CC[N@@H+]2C[C@@H](NC(=O)C[NH+]3CCc4ccccc4C3)C[C@H]2C1 ZINC000067842600 436726021 /nfs/dbraw/zinc/72/60/21/436726021.db2.gz PZBAJDCEFRDARM-ROUUACIJSA-N 2 2 328.460 0.549 10 0 ECAELP CN1CC[N@H+]2C[C@@H](NC(=O)C[NH+]3CCc4ccccc4C3)C[C@H]2C1 ZINC000067842600 436726023 /nfs/dbraw/zinc/72/60/23/436726023.db2.gz PZBAJDCEFRDARM-ROUUACIJSA-N 2 2 328.460 0.549 10 0 ECAELP CN1CC[NH+]2C[C@@H](NC(=O)C[N@@H+]3CCc4ccccc4C3)C[C@H]2C1 ZINC000067842600 436726025 /nfs/dbraw/zinc/72/60/25/436726025.db2.gz PZBAJDCEFRDARM-ROUUACIJSA-N 2 2 328.460 0.549 10 0 ECAELP CN1CC[NH+]2C[C@@H](NC(=O)C[N@H+]3CCc4ccccc4C3)C[C@H]2C1 ZINC000067842600 436726026 /nfs/dbraw/zinc/72/60/26/436726026.db2.gz PZBAJDCEFRDARM-ROUUACIJSA-N 2 2 328.460 0.549 10 0 ECAELP CC[C@@H]1CN(C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC[N@@H+]1C[C@H](C)O ZINC000248450211 436804603 /nfs/dbraw/zinc/80/46/03/436804603.db2.gz IVGVWNOXKCCSJG-HRCADAONSA-N 2 2 342.484 0.194 10 0 ECAELP CC[C@@H]1CN(C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC[N@H+]1C[C@H](C)O ZINC000248450211 436804605 /nfs/dbraw/zinc/80/46/05/436804605.db2.gz IVGVWNOXKCCSJG-HRCADAONSA-N 2 2 342.484 0.194 10 0 ECAELP O=C(NCCCC[NH+]1CCOCC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173785390 437063893 /nfs/dbraw/zinc/06/38/93/437063893.db2.gz WNJFFOSKSNQYDX-INIZCTEOSA-N 2 2 340.468 0.215 10 0 ECAELP COCCC[N@H+](C)CCNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173895414 437068282 /nfs/dbraw/zinc/06/82/82/437068282.db2.gz SBBIDUOLCHUYJO-HNNXBMFYSA-N 2 2 328.457 0.071 10 0 ECAELP COCCC[N@@H+](C)CCNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173895414 437068286 /nfs/dbraw/zinc/06/82/86/437068286.db2.gz SBBIDUOLCHUYJO-HNNXBMFYSA-N 2 2 328.457 0.071 10 0 ECAELP C[C@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1[NH+]1CCOCC1 ZINC000173969085 437071929 /nfs/dbraw/zinc/07/19/29/437071929.db2.gz UQNTUFYCUHGJBA-DLBZAZTESA-N 2 2 339.480 0.668 10 0 ECAELP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000176560830 437148300 /nfs/dbraw/zinc/14/83/00/437148300.db2.gz WOGUKEFDDOCBSG-MSOLQXFVSA-N 2 2 349.475 0.311 10 0 ECAELP C[NH+](C)C[C@H]1CN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CCO1 ZINC000301202842 437114219 /nfs/dbraw/zinc/11/42/19/437114219.db2.gz NMKBJBPUKNEKKZ-CABCVRRESA-N 2 2 335.452 0.452 10 0 ECAELP C[NH+](C)C[C@H]1CN(c2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)CCO1 ZINC000301202842 437114226 /nfs/dbraw/zinc/11/42/26/437114226.db2.gz NMKBJBPUKNEKKZ-CABCVRRESA-N 2 2 335.452 0.452 10 0 ECAELP CC[C@@H](O)C[NH+]1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000181695313 437327879 /nfs/dbraw/zinc/32/78/79/437327879.db2.gz DFAHRRXTVSEUPF-OAHLLOKOSA-N 2 2 342.484 0.195 10 0 ECAELP CC[C@@H](O)C[NH+]1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000181695313 437327884 /nfs/dbraw/zinc/32/78/84/437327884.db2.gz DFAHRRXTVSEUPF-OAHLLOKOSA-N 2 2 342.484 0.195 10 0 ECAELP O=C(NCc1ccc[nH+]c1N1CCOCC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171900507 534686287 /nfs/dbraw/zinc/68/62/87/534686287.db2.gz ZNAWYYMUBZSXLD-MRXNPFEDSA-N 2 2 345.447 0.908 10 0 ECAELP O=C(NCc1ccc[nH+]c1N1CCOCC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171900507 534686293 /nfs/dbraw/zinc/68/62/93/534686293.db2.gz ZNAWYYMUBZSXLD-MRXNPFEDSA-N 2 2 345.447 0.908 10 0 ECAELP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(Nc3cccnn3)CC2)CC1 ZINC000171552262 529130575 /nfs/dbraw/zinc/13/05/75/529130575.db2.gz GIGWMAUOFMNTPO-OAHLLOKOSA-N 2 2 346.479 0.906 10 0 ECAELP CCN1CCO[C@H](C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634644868 547382034 /nfs/dbraw/zinc/38/20/34/547382034.db2.gz CNYTWNYEDWQSQT-MOPGFXCFSA-N 2 2 333.476 0.934 10 0 ECAELP CCN1CCO[C@H](C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634644868 547382041 /nfs/dbraw/zinc/38/20/41/547382041.db2.gz CNYTWNYEDWQSQT-MOPGFXCFSA-N 2 2 333.476 0.934 10 0 ECAELP CC[N@@H+]1CCO[C@H](CNC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000634644868 547382044 /nfs/dbraw/zinc/38/20/44/547382044.db2.gz CNYTWNYEDWQSQT-MOPGFXCFSA-N 2 2 333.476 0.934 10 0 ECAELP CC[N@H+]1CCO[C@H](CNC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000634644868 547382048 /nfs/dbraw/zinc/38/20/48/547382048.db2.gz CNYTWNYEDWQSQT-MOPGFXCFSA-N 2 2 333.476 0.934 10 0 ECAELP CC[NH+]1CCO[C@H](CNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634644868 547382052 /nfs/dbraw/zinc/38/20/52/547382052.db2.gz CNYTWNYEDWQSQT-MOPGFXCFSA-N 2 2 333.476 0.934 10 0 ECAELP CC[NH+]1CCO[C@H](CNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634644868 547382056 /nfs/dbraw/zinc/38/20/56/547382056.db2.gz CNYTWNYEDWQSQT-MOPGFXCFSA-N 2 2 333.476 0.934 10 0 ECAELP COc1c(C)c[nH+]c(CN2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)c1C ZINC000282191467 258013146 /nfs/dbraw/zinc/01/31/46/258013146.db2.gz WOVOAYNLIYPRLF-AWEZNQCLSA-N 2 2 336.436 0.325 10 0 ECAELP COc1c(C)c[nH+]c(CN2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)c1C ZINC000282191467 258013147 /nfs/dbraw/zinc/01/31/47/258013147.db2.gz WOVOAYNLIYPRLF-AWEZNQCLSA-N 2 2 336.436 0.325 10 0 ECAELP C[N@@H+]1CCO[C@H](CNC(=O)CC2([NH+]3CCOCC3)CCCC2)C1 ZINC000174391907 164870648 /nfs/dbraw/zinc/87/06/48/164870648.db2.gz OTKSPBFSHVSVAF-OAHLLOKOSA-N 2 2 325.453 0.468 10 0 ECAELP C[N@H+]1CCO[C@H](CNC(=O)CC2([NH+]3CCOCC3)CCCC2)C1 ZINC000174391907 164870652 /nfs/dbraw/zinc/87/06/52/164870652.db2.gz OTKSPBFSHVSVAF-OAHLLOKOSA-N 2 2 325.453 0.468 10 0 ECAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H]2CCCS(=O)(=O)C2)nc[nH+]1 ZINC000245994224 165120163 /nfs/dbraw/zinc/12/01/63/165120163.db2.gz DXIKNAWQGJZXHM-QWHCGFSZSA-N 2 2 339.465 0.654 10 0 ECAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H]2CCCS(=O)(=O)C2)nc[nH+]1 ZINC000245994227 165121468 /nfs/dbraw/zinc/12/14/68/165121468.db2.gz DXIKNAWQGJZXHM-STQMWFEESA-N 2 2 339.465 0.654 10 0 ECAELP O[C@@H](CN1CC[N@@H+]2CCCC[C@@H]2C1)C[NH+]1CCN2CCCC[C@H]2C1 ZINC000248756370 165186192 /nfs/dbraw/zinc/18/61/92/165186192.db2.gz WSOWFTANSAIEOW-BWTSREIZSA-N 2 2 336.524 0.688 10 0 ECAELP O[C@@H](CN1CC[N@H+]2CCCC[C@@H]2C1)C[NH+]1CCN2CCCC[C@H]2C1 ZINC000248756370 165186195 /nfs/dbraw/zinc/18/61/95/165186195.db2.gz WSOWFTANSAIEOW-BWTSREIZSA-N 2 2 336.524 0.688 10 0 ECAELP O[C@@H](CN1CC[NH+]2CCCC[C@@H]2C1)C[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000248756370 165186197 /nfs/dbraw/zinc/18/61/97/165186197.db2.gz WSOWFTANSAIEOW-BWTSREIZSA-N 2 2 336.524 0.688 10 0 ECAELP O[C@@H](CN1CC[NH+]2CCCC[C@@H]2C1)C[N@H+]1CCN2CCCC[C@H]2C1 ZINC000248756370 165186202 /nfs/dbraw/zinc/18/62/02/165186202.db2.gz WSOWFTANSAIEOW-BWTSREIZSA-N 2 2 336.524 0.688 10 0 ECAELP O[C@H](CN1CC[N@@H+]2CCCC[C@H]2C1)C[NH+]1CCN2CCCC[C@@H]2C1 ZINC000248756370 165186205 /nfs/dbraw/zinc/18/62/05/165186205.db2.gz WSOWFTANSAIEOW-BWTSREIZSA-N 2 2 336.524 0.688 10 0 ECAELP O[C@H](CN1CC[N@H+]2CCCC[C@H]2C1)C[NH+]1CCN2CCCC[C@@H]2C1 ZINC000248756370 165186212 /nfs/dbraw/zinc/18/62/12/165186212.db2.gz WSOWFTANSAIEOW-BWTSREIZSA-N 2 2 336.524 0.688 10 0 ECAELP O[C@H](CN1CC[NH+]2CCCC[C@H]2C1)C[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000248756370 165186215 /nfs/dbraw/zinc/18/62/15/165186215.db2.gz WSOWFTANSAIEOW-BWTSREIZSA-N 2 2 336.524 0.688 10 0 ECAELP O[C@H](CN1CC[NH+]2CCCC[C@H]2C1)C[N@H+]1CCN2CCCC[C@@H]2C1 ZINC000248756370 165186217 /nfs/dbraw/zinc/18/62/17/165186217.db2.gz WSOWFTANSAIEOW-BWTSREIZSA-N 2 2 336.524 0.688 10 0 ECAELP O=C(CCN1CC[N@@H+]2CCC[C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000252321819 165208415 /nfs/dbraw/zinc/20/84/15/165208415.db2.gz ZBODKUJZTZIFHK-KRWDZBQOSA-N 2 2 343.475 0.900 10 0 ECAELP O=C(CCN1CC[N@H+]2CCC[C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000252321819 165208420 /nfs/dbraw/zinc/20/84/20/165208420.db2.gz ZBODKUJZTZIFHK-KRWDZBQOSA-N 2 2 343.475 0.900 10 0 ECAELP CN(C)C(=O)[C@H]1CCC[N@@H+]1C/C=C\C[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000254982929 165211148 /nfs/dbraw/zinc/21/11/48/165211148.db2.gz IJTCKZNBWOOFJS-HNXFAEETSA-N 2 2 336.480 0.648 10 0 ECAELP CN(C)C(=O)[C@H]1CCC[N@H+]1C/C=C\C[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000254982929 165211152 /nfs/dbraw/zinc/21/11/52/165211152.db2.gz IJTCKZNBWOOFJS-HNXFAEETSA-N 2 2 336.480 0.648 10 0 ECAELP CN(C)C(=O)[C@H]1CCC[NH+]1C/C=C\C[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000254982929 165211155 /nfs/dbraw/zinc/21/11/55/165211155.db2.gz IJTCKZNBWOOFJS-HNXFAEETSA-N 2 2 336.480 0.648 10 0 ECAELP CN(C)C(=O)[C@H]1CCC[NH+]1C/C=C\C[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000254982929 165211159 /nfs/dbraw/zinc/21/11/59/165211159.db2.gz IJTCKZNBWOOFJS-HNXFAEETSA-N 2 2 336.480 0.648 10 0 ECAELP Cc1ccc([C@H](CNC(=O)C2([NH3+])CCOCC2)[NH+]2CCOCC2)cc1 ZINC000261765746 165240073 /nfs/dbraw/zinc/24/00/73/165240073.db2.gz GEXCMZXIYVPKRC-KRWDZBQOSA-N 2 2 347.459 0.992 10 0 ECAELP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000261773928 165242594 /nfs/dbraw/zinc/24/25/94/165242594.db2.gz XFLNYHREXSLQTM-RDJZCZTQSA-N 2 2 342.443 0.971 10 0 ECAELP COC[C@@H]([NH3+])C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000262314647 165327608 /nfs/dbraw/zinc/32/76/08/165327608.db2.gz PMTXBZQVROTQFS-SNVBAGLBSA-N 2 2 327.182 0.687 10 0 ECAELP CC(C)(CNC(=O)CN1CC[N@@H+]2CCCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000177779263 263154276 /nfs/dbraw/zinc/15/42/76/263154276.db2.gz JFKNAEOVAZAQQC-MRXNPFEDSA-N 2 2 338.496 0.384 10 0 ECAELP CC(C)(CNC(=O)CN1CC[N@H+]2CCCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000177779263 263154277 /nfs/dbraw/zinc/15/42/77/263154277.db2.gz JFKNAEOVAZAQQC-MRXNPFEDSA-N 2 2 338.496 0.384 10 0 ECAELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000176339607 279298338 /nfs/dbraw/zinc/29/83/38/279298338.db2.gz RAIHADYDVCLXFO-JKSUJKDBSA-N 2 2 325.501 0.748 10 0 ECAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000176339607 279298340 /nfs/dbraw/zinc/29/83/40/279298340.db2.gz RAIHADYDVCLXFO-JKSUJKDBSA-N 2 2 325.501 0.748 10 0 ECAELP C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)C[C@@H]1C ZINC000174325236 533694580 /nfs/dbraw/zinc/69/45/80/533694580.db2.gz RAROPGCFINPUNQ-UONOGXRCSA-N 2 2 329.404 0.794 10 0 ECAELP C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)C[C@@H]1C ZINC000174325236 533694590 /nfs/dbraw/zinc/69/45/90/533694590.db2.gz RAROPGCFINPUNQ-UONOGXRCSA-N 2 2 329.404 0.794 10 0 ECAELP C[C@H](CNC(=O)NCCCC[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000077793284 436252680 /nfs/dbraw/zinc/25/26/80/436252680.db2.gz KTJZWKRSMQNMIN-OAHLLOKOSA-N 2 2 328.457 0.119 10 0 ECAELP CCN1CC[NH+](CCCCNC(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000104789228 436562155 /nfs/dbraw/zinc/56/21/55/436562155.db2.gz JWCIYLYWTYBKQV-INIZCTEOSA-N 2 2 341.500 0.034 10 0 ECAELP CCN1CC[NH+](CCCCNC(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000104789228 436562158 /nfs/dbraw/zinc/56/21/58/436562158.db2.gz JWCIYLYWTYBKQV-INIZCTEOSA-N 2 2 341.500 0.034 10 0 ECAELP CC[NH+]1CCN(CCCCNC(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000104789228 436562161 /nfs/dbraw/zinc/56/21/61/436562161.db2.gz JWCIYLYWTYBKQV-INIZCTEOSA-N 2 2 341.500 0.034 10 0 ECAELP CC[NH+]1CCN(CCCCNC(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000104789228 436562164 /nfs/dbraw/zinc/56/21/64/436562164.db2.gz JWCIYLYWTYBKQV-INIZCTEOSA-N 2 2 341.500 0.034 10 0 ECAELP C[N@H+](CC(=O)NCC(F)(F)F)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863033 436581665 /nfs/dbraw/zinc/58/16/65/436581665.db2.gz YJFGHRGYHUVCFY-UHFFFAOYSA-N 2 2 347.385 0.958 10 0 ECAELP C[N@@H+](CC(=O)NCC(F)(F)F)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863033 436581668 /nfs/dbraw/zinc/58/16/68/436581668.db2.gz YJFGHRGYHUVCFY-UHFFFAOYSA-N 2 2 347.385 0.958 10 0 ECAELP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)N3CC[NH+](C)CC3)C2)[nH+]1 ZINC000121118239 436708596 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CCOCCNC(=O)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000175961216 437125531 /nfs/dbraw/zinc/12/55/31/437125531.db2.gz ZEOZIXDPGQOLCP-UHFFFAOYSA-N 2 2 337.468 0.432 10 0 ECAELP Cn1cc[nH+]c1[C@H]1[C@H](CNc2[nH+]cnc3[nH]ccc32)CC(=O)N1C ZINC000578212398 438905525 /nfs/dbraw/zinc/90/55/25/438905525.db2.gz PZVNCBUJRBSJAY-GXFFZTMASA-N 2 2 325.376 1.323 10 0 ECAELP CC(C)N1CC[NH+](CCC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)CC1 ZINC000900842828 586669256 /nfs/dbraw/zinc/66/92/56/586669256.db2.gz AKRVLCYGHKWIKE-IRXDYDNUSA-N 2 2 340.512 0.316 10 0 ECAELP CC(C)N(Cc1[nH+]ccn1C)C(=O)C[C@@H]1C(=O)NCC[N@@H+]1C(C)C ZINC000011818991 211252365 /nfs/dbraw/zinc/25/23/65/211252365.db2.gz DJSCCLIISWPCGX-CQSZACIVSA-N 2 2 335.452 0.756 10 0 ECAELP CC(C)N(Cc1[nH+]ccn1C)C(=O)C[C@@H]1C(=O)NCC[N@H+]1C(C)C ZINC000011818991 211252368 /nfs/dbraw/zinc/25/23/68/211252368.db2.gz DJSCCLIISWPCGX-CQSZACIVSA-N 2 2 335.452 0.756 10 0 ECAELP CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@@H]2CCC[N@@H+]2C)nc[nH+]1 ZINC000174351909 533050989 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10 0 ECAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000195258356 436684941 /nfs/dbraw/zinc/68/49/41/436684941.db2.gz MGIJUWFSDZCBST-CYBMUJFWSA-N 2 2 346.522 0.754 10 0 ECAELP Cc1ncc(C[NH+]2CCN(CC(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000180476340 437291933 /nfs/dbraw/zinc/29/19/33/437291933.db2.gz ICGROFAIBNYMRR-UHFFFAOYSA-N 2 2 337.493 0.343 10 0 ECAELP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638303202 440504710 /nfs/dbraw/zinc/50/47/10/440504710.db2.gz WWSLQNZCWJGTOT-HUUCEWRRSA-N 2 2 332.448 0.443 10 0 ECAELP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638303202 440504717 /nfs/dbraw/zinc/50/47/17/440504717.db2.gz WWSLQNZCWJGTOT-HUUCEWRRSA-N 2 2 332.448 0.443 10 0 ECAELP CC(C)[C@H]1CN(C(=O)[C@H]([NH3+])CC(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC000638515001 440559702 /nfs/dbraw/zinc/55/97/02/440559702.db2.gz YYDNNPLFEUTXCZ-HZPDHXFCSA-N 2 2 332.448 0.558 10 0 ECAELP CC(C)[C@H]1CN(C(=O)[C@H]([NH3+])CC(N)=O)CC[N@H+]1Cc1ccccc1 ZINC000638515001 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UHDNWMNZFOAPFY-WMZOPIPTSA-N 2 2 349.479 0.392 10 0 ECAELP CCn1cc(C[NH+]2CCCN(C(=O)[C@]3(C)C[C@H](O)C[N@H+]3C)CC2)cn1 ZINC000900594899 586645433 /nfs/dbraw/zinc/64/54/33/586645433.db2.gz UHDNWMNZFOAPFY-WMZOPIPTSA-N 2 2 349.479 0.392 10 0 ECAELP CCn1cc(C[N@@H+]2CCCN(C(=O)[C@@]3(C)C[C@H](O)C[NH+]3C)CC2)cn1 ZINC000900594896 586645515 /nfs/dbraw/zinc/64/55/15/586645515.db2.gz UHDNWMNZFOAPFY-FUHWJXTLSA-N 2 2 349.479 0.392 10 0 ECAELP CCn1cc(C[N@H+]2CCCN(C(=O)[C@@]3(C)C[C@H](O)C[NH+]3C)CC2)cn1 ZINC000900594896 586645516 /nfs/dbraw/zinc/64/55/16/586645516.db2.gz UHDNWMNZFOAPFY-FUHWJXTLSA-N 2 2 349.479 0.392 10 0 ECAELP CCn1cc(C[NH+]2CCCN(C(=O)[C@@]3(C)C[C@H](O)C[N@@H+]3C)CC2)cn1 ZINC000900594896 586645518 /nfs/dbraw/zinc/64/55/18/586645518.db2.gz UHDNWMNZFOAPFY-FUHWJXTLSA-N 2 2 349.479 0.392 10 0 ECAELP CCn1cc(C[NH+]2CCCN(C(=O)[C@@]3(C)C[C@H](O)C[N@H+]3C)CC2)cn1 ZINC000900594896 586645520 /nfs/dbraw/zinc/64/55/20/586645520.db2.gz UHDNWMNZFOAPFY-FUHWJXTLSA-N 2 2 349.479 0.392 10 0 ECAELP Cn1c[nH+]c([C@@H]2CN(C(=O)c3c(C4CCC4)cnn3C)C[C@H]2[NH3+])c1 ZINC000864340755 590074718 /nfs/dbraw/zinc/07/47/18/590074718.db2.gz IURADMPNBJGGNW-ZIAGYGMSSA-N 2 2 328.420 0.988 10 0 ECAELP C[NH+](C)C[C@H]1CN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CCO1 ZINC000172131557 282137257 /nfs/dbraw/zinc/13/72/57/282137257.db2.gz CIIKJKLLSWSLGP-AWEZNQCLSA-N 2 2 328.457 0.069 10 0 ECAELP C[NH+](C)C[C@H]1CN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CCO1 ZINC000172131557 282137259 /nfs/dbraw/zinc/13/72/59/282137259.db2.gz CIIKJKLLSWSLGP-AWEZNQCLSA-N 2 2 328.457 0.069 10 0 ECAELP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@H](O)COC(C)(C)C)CC1 ZINC000103562296 219313259 /nfs/dbraw/zinc/31/32/59/219313259.db2.gz FOLRZWGOYFPAFQ-HNNXBMFYSA-N 2 2 329.485 0.648 10 0 ECAELP CC[C@H]1CN(C(=O)NC[C@@H](C)[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC000117477531 221069170 /nfs/dbraw/zinc/06/91/70/221069170.db2.gz GJYNXWUXZAWWPC-CVEARBPZSA-N 2 2 342.484 0.459 10 0 ECAELP CC[C@H]1CN(C(=O)NC[C@@H](C)[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC000117477531 221069172 /nfs/dbraw/zinc/06/91/72/221069172.db2.gz GJYNXWUXZAWWPC-CVEARBPZSA-N 2 2 342.484 0.459 10 0 ECAELP CCCCOC[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000195184409 165077683 /nfs/dbraw/zinc/07/76/83/165077683.db2.gz XMDQOMUZQHGNGC-JKSUJKDBSA-N 2 2 327.469 0.402 10 0 ECAELP CCCCOC[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000195184409 165077685 /nfs/dbraw/zinc/07/76/85/165077685.db2.gz XMDQOMUZQHGNGC-JKSUJKDBSA-N 2 2 327.469 0.402 10 0 ECAELP CCOCC[N@@H+]1CCN(C[C@@H](O)C[NH+]2CCOCC2)C[C@H]1CC ZINC000247254140 165157241 /nfs/dbraw/zinc/15/72/41/165157241.db2.gz UFLNHOOXOGYKBG-SJORKVTESA-N 2 2 329.485 0.112 10 0 ECAELP CCOCC[N@H+]1CCN(C[C@@H](O)C[NH+]2CCOCC2)C[C@H]1CC ZINC000247254140 165157243 /nfs/dbraw/zinc/15/72/43/165157243.db2.gz UFLNHOOXOGYKBG-SJORKVTESA-N 2 2 329.485 0.112 10 0 ECAELP CCn1c(C)nnc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261964184 165270611 /nfs/dbraw/zinc/27/06/11/165270611.db2.gz AMJRVQALVLADPJ-GJZGRUSLSA-N 2 2 334.468 0.687 10 0 ECAELP CCn1c(C)nnc1C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261964184 165270614 /nfs/dbraw/zinc/27/06/14/165270614.db2.gz AMJRVQALVLADPJ-GJZGRUSLSA-N 2 2 334.468 0.687 10 0 ECAELP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NCc2cn3c([nH+]2)CCCC3)cn1 ZINC000262298158 165326060 /nfs/dbraw/zinc/32/60/60/165326060.db2.gz PIEYXQYHOUMRPX-CABCVRRESA-N 2 2 328.420 0.572 10 0 ECAELP Cc1ccc2[nH+]c(CSCC(=O)NC[C@H]3C[NH2+]C[C@H]3O)cn2c1 ZINC000262318792 165328603 /nfs/dbraw/zinc/32/86/03/165328603.db2.gz RAZHOERTAXUDRG-TZMCWYRMSA-N 2 2 334.445 0.572 10 0 ECAELP CC[NH+](CC)Cc1nc(C2(NC(=O)[C@@H]([NH3+])COC)CCCC2)no1 ZINC000262371416 165340570 /nfs/dbraw/zinc/34/05/70/165340570.db2.gz LTSCBEBIIKPQGV-LBPRGKRZSA-N 2 2 339.440 0.771 10 0 ECAELP CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000175345787 263151885 /nfs/dbraw/zinc/15/18/85/263151885.db2.gz SKTQNCQJSDFQBW-MRXNPFEDSA-N 2 2 340.512 0.630 10 0 ECAELP CC[N@H+]1CCC[C@@H]1CN(C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000175345787 263151886 /nfs/dbraw/zinc/15/18/86/263151886.db2.gz SKTQNCQJSDFQBW-MRXNPFEDSA-N 2 2 340.512 0.630 10 0 ECAELP CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000184940519 289018266 /nfs/dbraw/zinc/01/82/66/289018266.db2.gz NORLTZBVZPSVMV-IAGOWNOFSA-N 2 2 346.475 0.958 10 0 ECAELP CN(C)C(=O)[C@H]1CCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000184940519 289018268 /nfs/dbraw/zinc/01/82/68/289018268.db2.gz NORLTZBVZPSVMV-IAGOWNOFSA-N 2 2 346.475 0.958 10 0 ECAELP C[NH+](C)C[C@@H]1CN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CCO1 ZINC000172133439 289198050 /nfs/dbraw/zinc/19/80/50/289198050.db2.gz YUDIOIBDHMJPCN-CQSZACIVSA-N 2 2 328.457 0.069 10 0 ECAELP C[NH+](C)C[C@@H]1CN(C(=O)NCC[N@H+]2CCOCC2(C)C)CCO1 ZINC000172133439 289198053 /nfs/dbraw/zinc/19/80/53/289198053.db2.gz YUDIOIBDHMJPCN-CQSZACIVSA-N 2 2 328.457 0.069 10 0 ECAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000113267295 297096255 /nfs/dbraw/zinc/09/62/55/297096255.db2.gz QPZGVKHIJPWVPV-HZPDHXFCSA-N 2 2 338.496 0.382 10 0 ECAELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000113267295 297096257 /nfs/dbraw/zinc/09/62/57/297096257.db2.gz QPZGVKHIJPWVPV-HZPDHXFCSA-N 2 2 338.496 0.382 10 0 ECAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCN(Cc3ccon3)CC2)CC1 ZINC000075857584 436178517 /nfs/dbraw/zinc/17/85/17/436178517.db2.gz HBJLPSACBFCCON-HNNXBMFYSA-N 2 2 335.452 0.345 10 0 ECAELP C[C@H](CNC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCOCC1 ZINC000077744255 436248931 /nfs/dbraw/zinc/24/89/31/436248931.db2.gz DINONVKTZOIQEI-OAGGEKHMSA-N 2 2 342.484 0.506 10 0 ECAELP C[C@H](CNC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCOCC1 ZINC000077744255 436248937 /nfs/dbraw/zinc/24/89/37/436248937.db2.gz DINONVKTZOIQEI-OAGGEKHMSA-N 2 2 342.484 0.506 10 0 ECAELP CCN1CC[NH+](CCCCNC(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000104789225 436562800 /nfs/dbraw/zinc/56/28/00/436562800.db2.gz JWCIYLYWTYBKQV-MRXNPFEDSA-N 2 2 341.500 0.034 10 0 ECAELP CCN1CC[NH+](CCCCNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000104789225 436562805 /nfs/dbraw/zinc/56/28/05/436562805.db2.gz JWCIYLYWTYBKQV-MRXNPFEDSA-N 2 2 341.500 0.034 10 0 ECAELP CC[NH+]1CCN(CCCCNC(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000104789225 436562810 /nfs/dbraw/zinc/56/28/10/436562810.db2.gz JWCIYLYWTYBKQV-MRXNPFEDSA-N 2 2 341.500 0.034 10 0 ECAELP CC[NH+]1CCN(CCCCNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000104789225 436562812 /nfs/dbraw/zinc/56/28/12/436562812.db2.gz JWCIYLYWTYBKQV-MRXNPFEDSA-N 2 2 341.500 0.034 10 0 ECAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+]([C@@H](C)C(=O)N(C)C)CC2)C1 ZINC000105915320 436585991 /nfs/dbraw/zinc/58/59/91/436585991.db2.gz NBCRESNLDARTIN-JKSUJKDBSA-N 2 2 326.485 0.190 10 0 ECAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+]([C@@H](C)C(=O)N(C)C)CC2)C1 ZINC000105915320 436585993 /nfs/dbraw/zinc/58/59/93/436585993.db2.gz NBCRESNLDARTIN-JKSUJKDBSA-N 2 2 326.485 0.190 10 0 ECAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N2CCN(C(C)=O)CC2)C1 ZINC000105896929 436587477 /nfs/dbraw/zinc/58/74/77/436587477.db2.gz YYHJEJCPQLCGHN-INIZCTEOSA-N 2 2 347.463 0.773 10 0 ECAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N2CCN(C(C)=O)CC2)C1 ZINC000105896929 436587480 /nfs/dbraw/zinc/58/74/80/436587480.db2.gz YYHJEJCPQLCGHN-INIZCTEOSA-N 2 2 347.463 0.773 10 0 ECAELP CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195298199 436687203 /nfs/dbraw/zinc/68/72/03/436687203.db2.gz BCPRACGRGYFGTQ-OAHLLOKOSA-N 2 2 333.436 0.681 10 0 ECAELP CCNC(=O)NC(=O)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195298199 436687207 /nfs/dbraw/zinc/68/72/07/436687207.db2.gz BCPRACGRGYFGTQ-OAHLLOKOSA-N 2 2 333.436 0.681 10 0 ECAELP CCNC(=O)NC(=O)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195298199 436687209 /nfs/dbraw/zinc/68/72/09/436687209.db2.gz BCPRACGRGYFGTQ-OAHLLOKOSA-N 2 2 333.436 0.681 10 0 ECAELP CCNC(=O)NC(=O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195298199 436687211 /nfs/dbraw/zinc/68/72/11/436687211.db2.gz BCPRACGRGYFGTQ-OAHLLOKOSA-N 2 2 333.436 0.681 10 0 ECAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCN2C(=O)CNC2=O)C1 ZINC000195293089 436685853 /nfs/dbraw/zinc/68/58/53/436685853.db2.gz HNTKNKFZZOFUBO-OAHLLOKOSA-N 2 2 331.420 0.387 10 0 ECAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCN2C(=O)CNC2=O)C1 ZINC000195293089 436685856 /nfs/dbraw/zinc/68/58/56/436685856.db2.gz HNTKNKFZZOFUBO-OAHLLOKOSA-N 2 2 331.420 0.387 10 0 ECAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC000195293089 436685859 /nfs/dbraw/zinc/68/58/59/436685859.db2.gz HNTKNKFZZOFUBO-OAHLLOKOSA-N 2 2 331.420 0.387 10 0 ECAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC000195293089 436685863 /nfs/dbraw/zinc/68/58/63/436685863.db2.gz HNTKNKFZZOFUBO-OAHLLOKOSA-N 2 2 331.420 0.387 10 0 ECAELP CCC[C@@H]([NH3+])C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000236941590 436719660 /nfs/dbraw/zinc/71/96/60/436719660.db2.gz JXVMCUWPIGUARS-CQSZACIVSA-N 2 2 333.436 0.364 10 0 ECAELP C[C@@H](CNC(=O)N1CCC([N@H+](C)CCCO)CC1)[NH+]1CCOCC1 ZINC000153463603 436756690 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340.512 0.628 10 0 ECAELP C[NH+](C)[C@@H]1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000170835537 436954456 /nfs/dbraw/zinc/95/44/56/436954456.db2.gz LQQSAPYSRNULJX-QGZVFWFLSA-N 3 2 337.512 0.891 10 0 ECAELP C[N@@H+]1CCO[C@@H]2CN(c3cc(N4CCC[C@H](CO)C4)[nH+]cn3)C[C@H]21 ZINC000301648399 437127185 /nfs/dbraw/zinc/12/71/85/437127185.db2.gz IRRWZOSRDGNYFM-RRFJBIMHSA-N 2 2 333.436 0.205 10 0 ECAELP C[N@H+]1CCO[C@@H]2CN(c3cc(N4CCC[C@H](CO)C4)[nH+]cn3)C[C@H]21 ZINC000301648399 437127188 /nfs/dbraw/zinc/12/71/88/437127188.db2.gz IRRWZOSRDGNYFM-RRFJBIMHSA-N 2 2 333.436 0.205 10 0 ECAELP Cn1cc([C@@H]2CCN(C(=O)NCC[NH+]3CCC([NH+](C)C)CC3)C2)cn1 ZINC000179293888 437256760 /nfs/dbraw/zinc/25/67/60/437256760.db2.gz QYQIVTURBVKJDN-OAHLLOKOSA-N 2 2 348.495 0.945 10 0 ECAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000180045129 437277867 /nfs/dbraw/zinc/27/78/67/437277867.db2.gz JJLWWGLDSOEOJC-DZGCQCFKSA-N 2 2 341.477 0.831 10 0 ECAELP O=C(CCN1CC[N@@H+]2CCC[C@@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000171637897 534405196 /nfs/dbraw/zinc/40/51/96/534405196.db2.gz ZBODKUJZTZIFHK-QGZVFWFLSA-N 2 2 343.475 0.900 10 0 ECAELP O=C(CCN1CC[N@H+]2CCC[C@@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000171637897 534405204 /nfs/dbraw/zinc/40/52/04/534405204.db2.gz ZBODKUJZTZIFHK-QGZVFWFLSA-N 2 2 343.475 0.900 10 0 ECAELP C[C@@H](CNC(=O)NCCN1CCC([NH+](C)C)CC1)[NH+]1CCOCC1 ZINC000175603398 545870575 /nfs/dbraw/zinc/87/05/75/545870575.db2.gz RUSXXEBKGWHIJZ-HNNXBMFYSA-N 2 2 341.500 0.032 10 0 ECAELP Cn1c[nH+]cc1[C@H]1[C@H](C[N@H+](C)CCN2C(=O)CNC2=O)CCCN1C ZINC000671563468 548186079 /nfs/dbraw/zinc/18/60/79/548186079.db2.gz PQPYVBIJPPDWQZ-XJKSGUPXSA-N 2 2 348.451 0.287 10 0 ECAELP Cn1c[nH+]cc1[C@H]1[C@H](C[N@@H+](C)CCN2C(=O)CNC2=O)CCCN1C ZINC000671563468 548186082 /nfs/dbraw/zinc/18/60/82/548186082.db2.gz PQPYVBIJPPDWQZ-XJKSGUPXSA-N 2 2 348.451 0.287 10 0 ECAELP CC(C)n1c[nH+]cc1Cn1ncc(N2CCO[C@@H](CC[NH3+])C2)cc1=O ZINC000072137142 608969285 /nfs/dbraw/zinc/96/92/85/608969285.db2.gz VPLPLOZZBVGJQW-INIZCTEOSA-N 2 2 346.435 0.623 10 0 ECAELP CCn1c(C)nnc1C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000111241575 220122203 /nfs/dbraw/zinc/12/22/03/220122203.db2.gz IILCWKYGHBPKSL-UHFFFAOYSA-N 2 2 348.495 0.983 10 0 ECAELP C[NH+](C)C[C@H]1CN(C(=O)NCCc2cn3ccccc3[nH+]2)CCO1 ZINC000117029157 221024377 /nfs/dbraw/zinc/02/43/77/221024377.db2.gz YIFSTRMEIJJEPJ-HNNXBMFYSA-N 2 2 331.420 0.849 10 0 ECAELP C[N@@H+]1Cc2ccc(NC(=O)C(=O)NC[C@@H]3C[NH+](C)CCO3)cc2C1 ZINC000118115862 221121902 /nfs/dbraw/zinc/12/19/02/221121902.db2.gz WHENOVONMMZDEG-OAHLLOKOSA-N 2 2 332.404 0.017 10 0 ECAELP C[N@H+]1Cc2ccc(NC(=O)C(=O)NC[C@@H]3C[NH+](C)CCO3)cc2C1 ZINC000118115862 221121904 /nfs/dbraw/zinc/12/19/04/221121904.db2.gz WHENOVONMMZDEG-OAHLLOKOSA-N 2 2 332.404 0.017 10 0 ECAELP C[NH+]1Cc2ccc(NC(=O)C(=O)NC[C@@H]3C[N@H+](C)CCO3)cc2C1 ZINC000118115862 221121907 /nfs/dbraw/zinc/12/19/07/221121907.db2.gz WHENOVONMMZDEG-OAHLLOKOSA-N 2 2 332.404 0.017 10 0 ECAELP C[NH+]1Cc2ccc(NC(=O)C(=O)NC[C@@H]3C[N@@H+](C)CCO3)cc2C1 ZINC000118115862 221121908 /nfs/dbraw/zinc/12/19/08/221121908.db2.gz WHENOVONMMZDEG-OAHLLOKOSA-N 2 2 332.404 0.017 10 0 ECAELP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@H](n4cncn4)C3)cn2)CC1 ZINC000119517445 221338208 /nfs/dbraw/zinc/33/82/08/221338208.db2.gz GEOWNVBWFUGPQC-INIZCTEOSA-N 2 2 342.451 0.657 10 0 ECAELP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@H](n4cncn4)C3)cn2)CC1 ZINC000119517445 221338211 /nfs/dbraw/zinc/33/82/11/221338211.db2.gz GEOWNVBWFUGPQC-INIZCTEOSA-N 2 2 342.451 0.657 10 0 ECAELP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000246253594 165128635 /nfs/dbraw/zinc/12/86/35/165128635.db2.gz FOPRYQOPPABBCK-HOTGVXAUSA-N 2 2 326.485 0.984 10 0 ECAELP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000246253594 165128637 /nfs/dbraw/zinc/12/86/37/165128637.db2.gz FOPRYQOPPABBCK-HOTGVXAUSA-N 2 2 326.485 0.984 10 0 ECAELP CC(C)C[NH+]1CCC[C@@H](CNC(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000246253594 165128641 /nfs/dbraw/zinc/12/86/41/165128641.db2.gz FOPRYQOPPABBCK-HOTGVXAUSA-N 2 2 326.485 0.984 10 0 ECAELP CC(C)C[NH+]1CCC[C@@H](CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000246253594 165128642 /nfs/dbraw/zinc/12/86/42/165128642.db2.gz FOPRYQOPPABBCK-HOTGVXAUSA-N 2 2 326.485 0.984 10 0 ECAELP C[C@H](NC(=O)NC[C@@H](O)C[NH+]1CCCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000246326559 165130299 /nfs/dbraw/zinc/13/02/99/165130299.db2.gz APNDDACESZFPIQ-HRCADAONSA-N 2 2 342.484 0.242 10 0 ECAELP CNC(=O)Cc1noc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)n1 ZINC000261852563 165253524 /nfs/dbraw/zinc/25/35/24/165253524.db2.gz VLWZZFBGAMAIAE-KGLIPLIRSA-N 2 2 329.404 0.532 10 0 ECAELP CNC(=O)Cc1noc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)n1 ZINC000261852563 165253528 /nfs/dbraw/zinc/25/35/28/165253528.db2.gz VLWZZFBGAMAIAE-KGLIPLIRSA-N 2 2 329.404 0.532 10 0 ECAELP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cn1 ZINC000261900724 165259897 /nfs/dbraw/zinc/25/98/97/165259897.db2.gz AGJXPQPWHRQHOV-ZACQAIPSSA-N 2 2 347.463 0.046 10 0 ECAELP CC1(C)C[N@H+](CC(=O)NCCOc2ccc3c(c2)OCO3)CC[C@H]1[NH3+] ZINC000261923830 165263447 /nfs/dbraw/zinc/26/34/47/165263447.db2.gz YYZLXTLLZNATFC-MRXNPFEDSA-N 2 2 349.431 0.970 10 0 ECAELP CC1(C)C[N@@H+](CC(=O)NCCOc2ccc3c(c2)OCO3)CC[C@H]1[NH3+] ZINC000261923830 165263450 /nfs/dbraw/zinc/26/34/50/165263450.db2.gz YYZLXTLLZNATFC-MRXNPFEDSA-N 2 2 349.431 0.970 10 0 ECAELP O=S(=O)(N1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1)N1CCCCCC1 ZINC000261956272 165268970 /nfs/dbraw/zinc/26/89/70/165268970.db2.gz ORXZFRGJQYIXBI-MRXNPFEDSA-N 2 2 344.525 0.724 10 0 ECAELP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]([NH3+])CCS(C)(=O)=O ZINC000262125833 165296812 /nfs/dbraw/zinc/29/68/12/165296812.db2.gz LJIWQRBILKAURE-XJFOESAGSA-N 2 2 333.498 0.231 10 0 ECAELP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]([NH3+])CCS(C)(=O)=O ZINC000262125833 165296821 /nfs/dbraw/zinc/29/68/21/165296821.db2.gz LJIWQRBILKAURE-XJFOESAGSA-N 2 2 333.498 0.231 10 0 ECAELP CC(C)OCC[NH+]1CCN(C(=O)NC[C@H](C)[NH+]2CCOCC2)CC1 ZINC000174157395 263150153 /nfs/dbraw/zinc/15/01/53/263150153.db2.gz AOENLHCWEUYSQZ-INIZCTEOSA-N 2 2 342.484 0.459 10 0 ECAELP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000113267298 300315717 /nfs/dbraw/zinc/31/57/17/300315717.db2.gz QPZGVKHIJPWVPV-JKSUJKDBSA-N 2 2 338.496 0.382 10 0 ECAELP C[C@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000113267298 300315721 /nfs/dbraw/zinc/31/57/21/300315721.db2.gz QPZGVKHIJPWVPV-JKSUJKDBSA-N 2 2 338.496 0.382 10 0 ECAELP CNC(=O)NC(=O)[C@@H](C)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863004 436582254 /nfs/dbraw/zinc/58/22/54/436582254.db2.gz GMCRPYBIUHXUJH-CYBMUJFWSA-N 2 2 336.440 0.123 10 0 ECAELP CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863004 436582258 /nfs/dbraw/zinc/58/22/58/436582258.db2.gz GMCRPYBIUHXUJH-CYBMUJFWSA-N 2 2 336.440 0.123 10 0 ECAELP C[NH+](C)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000113640546 436638225 /nfs/dbraw/zinc/63/82/25/436638225.db2.gz XTQBCIDNUBUDCL-OAHLLOKOSA-N 2 2 327.388 0.973 10 0 ECAELP C[NH+](C)[C@H]1CCN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000113640548 436638259 /nfs/dbraw/zinc/63/82/59/436638259.db2.gz XTQBCIDNUBUDCL-HNNXBMFYSA-N 2 2 327.388 0.973 10 0 ECAELP CC[C@](C)(O)C[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000123610800 436743114 /nfs/dbraw/zinc/74/31/14/436743114.db2.gz ZQNIVOVCRLGOKI-KRWDZBQOSA-N 2 2 335.452 0.596 10 0 ECAELP N[NH+]=Cc1ccc(N2CC[NH+](C3CC[NH+](CC(=O)[O-])CC3)CC2)cc1 ZINC000257353209 436877633 /nfs/dbraw/zinc/87/76/33/436877633.db2.gz PWIBJZBXBPVCAM-UHFFFAOYSA-N 2 2 345.447 0.650 10 0 ECAELP C[NH+](C)[C@H]1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000170835535 436955493 /nfs/dbraw/zinc/95/54/93/436955493.db2.gz LQQSAPYSRNULJX-KRWDZBQOSA-N 3 2 337.512 0.891 10 0 ECAELP Cn1cc[nH+]c1CN(C(=O)[C@@H]1CCC[NH2+]C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262001127 302987144 /nfs/dbraw/zinc/98/71/44/302987144.db2.gz PUVHHFPXUAQGAY-HUUCEWRRSA-N 3 2 331.464 0.890 10 0 ECAELP O=C(NCc1ccn2cc[nH+]c2c1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000177768369 437199105 /nfs/dbraw/zinc/19/91/05/437199105.db2.gz UISRVDCCGNCAEL-OAHLLOKOSA-N 2 2 331.420 0.980 10 0 ECAELP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@H](O)C[C@@H]3CO)CC2)c1 ZINC000179177425 437255575 /nfs/dbraw/zinc/25/55/75/437255575.db2.gz DXAJAORAPMIRGU-QZTJIDSGSA-N 2 2 347.459 0.067 10 0 ECAELP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@H](O)C[C@@H]3CO)CC2)c1 ZINC000179177425 437255578 /nfs/dbraw/zinc/25/55/78/437255578.db2.gz DXAJAORAPMIRGU-QZTJIDSGSA-N 2 2 347.459 0.067 10 0 ECAELP Cn1cc([C@H]2CCN(C(=O)NCC[NH+]3CCC([NH+](C)C)CC3)C2)cn1 ZINC000179293894 437257623 /nfs/dbraw/zinc/25/76/23/437257623.db2.gz QYQIVTURBVKJDN-HNNXBMFYSA-N 2 2 348.495 0.945 10 0 ECAELP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCCC[NH+]2CCOCC2)C[C@H]1C ZINC000185398804 437436894 /nfs/dbraw/zinc/43/68/94/437436894.db2.gz KMQXZMYDJUEJND-HZPDHXFCSA-N 2 2 342.484 0.195 10 0 ECAELP C[C@@H](O)C[N@H+]1CCN(C(=O)NCCCC[NH+]2CCOCC2)C[C@H]1C ZINC000185398804 437436895 /nfs/dbraw/zinc/43/68/95/437436895.db2.gz KMQXZMYDJUEJND-HZPDHXFCSA-N 2 2 342.484 0.195 10 0 ECAELP C[C@H](C(=O)N(C)C1CC[NH+](CCn2cccn2)CC1)[NH+]1CCOCC1 ZINC000329200929 320759687 /nfs/dbraw/zinc/75/96/87/320759687.db2.gz BQRPATUWCBTRTE-MRXNPFEDSA-N 2 2 349.479 0.527 10 0 ECAELP C[C@@H](CNc1cc(N2CCC[C@@H]2CO)[nH+]cn1)N1CC[NH+](C)CC1 ZINC000112079702 220238989 /nfs/dbraw/zinc/23/89/89/220238989.db2.gz IPGRSTHAJMNWJT-LSDHHAIUSA-N 2 2 334.468 0.486 10 0 ECAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)N[C@H](C)C(=O)N(C)C)C2)[nH+]1 ZINC000249901006 165203491 /nfs/dbraw/zinc/20/34/91/165203491.db2.gz SYWZSIISMVNLFH-CABCVRRESA-N 2 2 347.463 0.717 10 0 ECAELP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)N[C@H](C)C(=O)N(C)C)C2)[nH+]1 ZINC000249901006 165203497 /nfs/dbraw/zinc/20/34/97/165203497.db2.gz SYWZSIISMVNLFH-CABCVRRESA-N 2 2 347.463 0.717 10 0 ECAELP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261721897 165232999 /nfs/dbraw/zinc/23/29/99/165232999.db2.gz NNQQZGSBZJLCBM-CABCVRRESA-N 2 2 346.479 0.573 10 0 ECAELP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261721897 165233004 /nfs/dbraw/zinc/23/30/04/165233004.db2.gz NNQQZGSBZJLCBM-CABCVRRESA-N 2 2 346.479 0.573 10 0 ECAELP COC[C@H]([NH3+])C(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000262190966 165306557 /nfs/dbraw/zinc/30/65/57/165306557.db2.gz CFTCWILTLVBHTM-STQMWFEESA-N 2 2 327.450 0.554 10 0 ECAELP C[C@@H]1CN(C(=O)C2(n3cccn3)CC[NH2+]CC2)C[C@H]1[NH+]1CCOCC1 ZINC000262383771 165342301 /nfs/dbraw/zinc/34/23/01/165342301.db2.gz XGNBMFHWBKHSCU-HZPDHXFCSA-N 2 2 347.463 0.141 10 0 ECAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)CC1 ZINC000246634054 279346414 /nfs/dbraw/zinc/34/64/14/279346414.db2.gz ZNYWDIULXDZHIL-ULQDDVLXSA-N 2 2 338.496 0.192 10 0 ECAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)CC1 ZINC000246634054 279346415 /nfs/dbraw/zinc/34/64/15/279346415.db2.gz ZNYWDIULXDZHIL-ULQDDVLXSA-N 2 2 338.496 0.192 10 0 ECAELP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000174494480 280322723 /nfs/dbraw/zinc/32/27/23/280322723.db2.gz FGVVSEKJAFKMRC-IRXDYDNUSA-N 2 2 339.480 0.713 10 0 ECAELP O=C(C[NH+]1CCN(Cc2ccon2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000333590342 297143188 /nfs/dbraw/zinc/14/31/88/297143188.db2.gz WUMPBXQVJJSGMG-UHFFFAOYSA-N 2 2 347.463 0.535 10 0 ECAELP CN(C)CC[NH+]1CCC(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000105112135 436570084 /nfs/dbraw/zinc/57/00/84/436570084.db2.gz GHOKTZFUJKDKED-QGZVFWFLSA-N 2 2 337.512 0.892 10 0 ECAELP CN(C)CC[NH+]1CCC(NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC000105112135 436570088 /nfs/dbraw/zinc/57/00/88/436570088.db2.gz GHOKTZFUJKDKED-QGZVFWFLSA-N 2 2 337.512 0.892 10 0 ECAELP C[N@H+](CCC(=O)N1CCOCC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863484 436581795 /nfs/dbraw/zinc/58/17/95/436581795.db2.gz BGDNPPNUZUIOJS-UHFFFAOYSA-N 2 2 349.479 0.528 10 0 ECAELP C[N@@H+](CCC(=O)N1CCOCC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863484 436581798 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CS(=O)(=O)CC[C@@H]([NH3+])C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000237317734 545930442 /nfs/dbraw/zinc/93/04/42/545930442.db2.gz VOLBRKVKLGVABU-OAHLLOKOSA-N 2 2 345.509 0.473 10 0 ECAELP CC[C@@H](O)C[NH+]1CCN(C(=O)/C=C(\C)C[NH+]2CCOCC2)CC1 ZINC000900598918 586645821 /nfs/dbraw/zinc/64/58/21/586645821.db2.gz AHVRNJSXUZUZIQ-ASNKMWSDSA-N 2 2 325.453 0.180 10 0 ECAELP CN(C[C@H]1CCn2cc[nH+]c2C1)C(=O)c1ccnn1CC[NH+](C)C ZINC000907569800 586736994 /nfs/dbraw/zinc/73/69/94/586736994.db2.gz OKCUPZYRAFVAMG-AWEZNQCLSA-N 2 2 330.436 0.976 10 0 ECAELP CCCCOC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000195184393 165076969 /nfs/dbraw/zinc/07/69/69/165076969.db2.gz XMDQOMUZQHGNGC-HZPDHXFCSA-N 2 2 327.469 0.402 10 0 ECAELP CCCCOC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000195184393 165076981 /nfs/dbraw/zinc/07/69/81/165076981.db2.gz XMDQOMUZQHGNGC-HZPDHXFCSA-N 2 2 327.469 0.402 10 0 ECAELP CCC[C@@H]1CN(C(=O)NC[C@H]2C[NH+](C)CCO2)CC[N@@H+]1CCOC ZINC000246075737 165123494 /nfs/dbraw/zinc/12/34/94/165123494.db2.gz ZYGOVTHSNBNXQY-CVEARBPZSA-N 2 2 342.484 0.459 10 0 ECAELP CCC[C@@H]1CN(C(=O)NC[C@H]2C[NH+](C)CCO2)CC[N@H+]1CCOC ZINC000246075737 165123497 /nfs/dbraw/zinc/12/34/97/165123497.db2.gz ZYGOVTHSNBNXQY-CVEARBPZSA-N 2 2 342.484 0.459 10 0 ECAELP CCC[C@@H]1CN(C(=O)NC[C@H]2C[N@H+](C)CCO2)CC[NH+]1CCOC ZINC000246075737 165123501 /nfs/dbraw/zinc/12/35/01/165123501.db2.gz ZYGOVTHSNBNXQY-CVEARBPZSA-N 2 2 342.484 0.459 10 0 ECAELP CCC[C@@H]1CN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC[NH+]1CCOC ZINC000246075737 165123505 /nfs/dbraw/zinc/12/35/05/165123505.db2.gz ZYGOVTHSNBNXQY-CVEARBPZSA-N 2 2 342.484 0.459 10 0 ECAELP C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3[NH2+]CCO[C@@H]3C)c[nH+]2)C[C@@H](C)O1 ZINC000262057478 165281965 /nfs/dbraw/zinc/28/19/65/165281965.db2.gz AQXXXFIGJDRYGO-WBOJAVRRSA-N 2 2 348.447 0.688 10 0 ECAELP O=C(CCN1CC[NH+](C[C@@H](O)c2ccccc2)CC1)N1CC[NH2+]CC1 ZINC000262267377 165320186 /nfs/dbraw/zinc/32/01/86/165320186.db2.gz YEEAPODZZDKGNI-GOSISDBHSA-N 2 2 346.475 0.160 10 0 ECAELP CC(C)OCC[NH+]1CCN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000173919649 263149281 /nfs/dbraw/zinc/14/92/81/263149281.db2.gz MZNCHHFRYHNTLB-MRXNPFEDSA-N 2 2 349.479 0.985 10 0 ECAELP O=C(NC[C@H](O)C[NH+]1CCOCC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000098129839 436545907 /nfs/dbraw/zinc/54/59/07/436545907.db2.gz WPSGNZDCNQJGHD-SFHVURJKSA-N 2 2 347.459 0.705 10 0 ECAELP CCCNC(=O)C[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000105845567 436581577 /nfs/dbraw/zinc/58/15/77/436581577.db2.gz SYLGYEMETJFITH-MRXNPFEDSA-N 2 2 326.485 0.239 10 0 ECAELP CCCNC(=O)C[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000105845567 436581581 /nfs/dbraw/zinc/58/15/81/436581581.db2.gz SYLGYEMETJFITH-MRXNPFEDSA-N 2 2 326.485 0.239 10 0 ECAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CC(=O)N(C)C3CC3)CC2)C1 ZINC000105846106 436582411 /nfs/dbraw/zinc/58/24/11/436582411.db2.gz PWRDXOLDWRQROR-KRWDZBQOSA-N 2 2 338.496 0.334 10 0 ECAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CC(=O)N(C)C3CC3)CC2)C1 ZINC000105846106 436582414 /nfs/dbraw/zinc/58/24/14/436582414.db2.gz PWRDXOLDWRQROR-KRWDZBQOSA-N 2 2 338.496 0.334 10 0 ECAELP C[NH+](C)CCN(Cc1ccccn1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000107392069 436611061 /nfs/dbraw/zinc/61/10/61/436611061.db2.gz KUPBJEUCPIMQSG-INIZCTEOSA-N 2 2 335.452 0.485 10 0 ECAELP C[NH+](C)CCN(Cc1ccccn1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000107392069 436611065 /nfs/dbraw/zinc/61/10/65/436611065.db2.gz KUPBJEUCPIMQSG-INIZCTEOSA-N 2 2 335.452 0.485 10 0 ECAELP O=C(NCc1ccc2c(c1)OCO2)[C@@H]1C[C@@H](O)C[N@@H+]1C1CC[NH2+]CC1 ZINC000253398882 436841118 /nfs/dbraw/zinc/84/11/18/436841118.db2.gz CJLDRJKEJBFCFL-CABCVRRESA-N 2 2 347.415 0.219 10 0 ECAELP O=C(NCc1ccc2c(c1)OCO2)[C@@H]1C[C@@H](O)C[N@H+]1C1CC[NH2+]CC1 ZINC000253398882 436841122 /nfs/dbraw/zinc/84/11/22/436841122.db2.gz CJLDRJKEJBFCFL-CABCVRRESA-N 2 2 347.415 0.219 10 0 ECAELP COC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000263274818 436959326 /nfs/dbraw/zinc/95/93/26/436959326.db2.gz YAMDEIBFXSCKBV-AWEZNQCLSA-N 2 2 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ZINC000173418494 437049164 /nfs/dbraw/zinc/04/91/64/437049164.db2.gz FVTUSFLHTIZHMD-KBPBESRZSA-N 2 2 348.451 0.324 10 0 ECAELP C[C@H](CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)CN1CC[NH+](C)CC1 ZINC000173505426 437053733 /nfs/dbraw/zinc/05/37/33/437053733.db2.gz YBCSUHUDIJMLJE-IAGOWNOFSA-N 2 2 337.512 0.750 10 0 ECAELP C[C@H](CNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)CN1CC[NH+](C)CC1 ZINC000173505426 437053734 /nfs/dbraw/zinc/05/37/34/437053734.db2.gz YBCSUHUDIJMLJE-IAGOWNOFSA-N 2 2 337.512 0.750 10 0 ECAELP CCC(CC)[C@H](C(=O)N1CCO[C@H](C[NH+](C)C)C1)[NH+]1CCOCC1 ZINC000173791461 437064018 /nfs/dbraw/zinc/06/40/18/437064018.db2.gz ZIYSFKFSPOCBFO-IAGOWNOFSA-N 2 2 341.496 0.912 10 0 ECAELP COCC[N@H+](C)CCCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173849394 437065360 /nfs/dbraw/zinc/06/53/60/437065360.db2.gz LWZPTFUREAWMKW-OAHLLOKOSA-N 2 2 328.457 0.071 10 0 ECAELP COCC[N@@H+](C)CCCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173849394 437065365 /nfs/dbraw/zinc/06/53/65/437065365.db2.gz LWZPTFUREAWMKW-OAHLLOKOSA-N 2 2 328.457 0.071 10 0 ECAELP CC1(C)C[N@H+](CCNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CCO1 ZINC000173907518 437068999 /nfs/dbraw/zinc/06/89/99/437068999.db2.gz IGEXPOMRVOJWAV-HNNXBMFYSA-N 2 2 340.468 0.213 10 0 ECAELP CC1(C)C[N@@H+](CCNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CCO1 ZINC000173907518 437069004 /nfs/dbraw/zinc/06/90/04/437069004.db2.gz IGEXPOMRVOJWAV-HNNXBMFYSA-N 2 2 340.468 0.213 10 0 ECAELP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)cn1 ZINC000174655608 437085407 /nfs/dbraw/zinc/08/54/07/437085407.db2.gz WHUYALBRNVPGMF-QGZVFWFLSA-N 2 2 349.479 0.658 10 0 ECAELP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)cn1 ZINC000174655608 437085410 /nfs/dbraw/zinc/08/54/10/437085410.db2.gz WHUYALBRNVPGMF-QGZVFWFLSA-N 2 2 349.479 0.658 10 0 ECAELP CCCn1cc(C[NH+]2CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)cn1 ZINC000174655608 437085414 /nfs/dbraw/zinc/08/54/14/437085414.db2.gz WHUYALBRNVPGMF-QGZVFWFLSA-N 2 2 349.479 0.658 10 0 ECAELP CCCn1cc(C[NH+]2CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)cn1 ZINC000174655608 437085417 /nfs/dbraw/zinc/08/54/17/437085417.db2.gz WHUYALBRNVPGMF-QGZVFWFLSA-N 2 2 349.479 0.658 10 0 ECAELP C[C@@H]1C[N@@H+](CCN(C)c2cc(N3CCC[C@@H]3CO)[nH+]cn2)C[C@H](C)O1 ZINC000302866813 437151148 /nfs/dbraw/zinc/15/11/48/437151148.db2.gz VSQMZYAPXLGJRC-OWCLPIDISA-N 2 2 349.479 0.983 10 0 ECAELP C[C@@H]1C[N@H+](CCN(C)c2cc(N3CCC[C@@H]3CO)[nH+]cn2)C[C@H](C)O1 ZINC000302866813 437151151 /nfs/dbraw/zinc/15/11/51/437151151.db2.gz VSQMZYAPXLGJRC-OWCLPIDISA-N 2 2 349.479 0.983 10 0 ECAELP CC[C@@H](O)C[NH+]1CCN(C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC1 ZINC000184703011 437408072 /nfs/dbraw/zinc/40/80/72/437408072.db2.gz KJXFBRLHZOEHJN-HUUCEWRRSA-N 2 2 338.452 0.980 10 0 ECAELP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@H]1C[NH2+]CCOC1 ZINC000649277799 440432221 /nfs/dbraw/zinc/43/22/21/440432221.db2.gz SPODOCNUQUMBGU-DLBZAZTESA-N 2 2 333.432 0.240 10 0 ECAELP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H]1C[NH2+]CCOC1 ZINC000649277799 440432228 /nfs/dbraw/zinc/43/22/28/440432228.db2.gz SPODOCNUQUMBGU-DLBZAZTESA-N 2 2 333.432 0.240 10 0 ECAELP CN(C[C@@H]1C[N@H+](C)CCO1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000681711921 549291627 /nfs/dbraw/zinc/29/16/27/549291627.db2.gz VIMGRLOZMOUQIB-OALUTQOASA-N 2 2 333.476 0.886 10 0 ECAELP CN(C[C@@H]1C[N@@H+](C)CCO1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000681711921 549291630 /nfs/dbraw/zinc/29/16/30/549291630.db2.gz VIMGRLOZMOUQIB-OALUTQOASA-N 2 2 333.476 0.886 10 0 ECAELP CN(C[C@@H]1C[NH+](C)CCO1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000681711921 549291634 /nfs/dbraw/zinc/29/16/34/549291634.db2.gz VIMGRLOZMOUQIB-OALUTQOASA-N 2 2 333.476 0.886 10 0 ECAELP CN(C[C@@H]1C[NH+](C)CCO1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000681711921 549291636 /nfs/dbraw/zinc/29/16/36/549291636.db2.gz VIMGRLOZMOUQIB-OALUTQOASA-N 2 2 333.476 0.886 10 0 ECAELP CN1CCO[C@H](C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000681711921 549291638 /nfs/dbraw/zinc/29/16/38/549291638.db2.gz VIMGRLOZMOUQIB-OALUTQOASA-N 2 2 333.476 0.886 10 0 ECAELP CN1CCO[C@H](C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000681711921 549291641 /nfs/dbraw/zinc/29/16/41/549291641.db2.gz VIMGRLOZMOUQIB-OALUTQOASA-N 2 2 333.476 0.886 10 0 ECAELP CN1CCO[C@H](C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000681711921 549291644 /nfs/dbraw/zinc/29/16/44/549291644.db2.gz VIMGRLOZMOUQIB-OALUTQOASA-N 2 2 333.476 0.886 10 0 ECAELP CN1CCO[C@H](C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000681711921 549291647 /nfs/dbraw/zinc/29/16/47/549291647.db2.gz VIMGRLOZMOUQIB-OALUTQOASA-N 2 2 333.476 0.886 10 0 ECAELP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1nnn(C(C)(C)C)n1)C2 ZINC000888097852 586350035 /nfs/dbraw/zinc/35/00/35/586350035.db2.gz QPKHHAFXZWEKPF-GKLJAUDBSA-N 2 2 336.484 0.997 10 0 ECAELP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1nnn(C(C)(C)C)n1)C2 ZINC000888097852 586350037 /nfs/dbraw/zinc/35/00/37/586350037.db2.gz QPKHHAFXZWEKPF-GKLJAUDBSA-N 2 2 336.484 0.997 10 0 ECAELP O[C@H](COc1ccccc1)C[NH+]1CCN(CCn2cc[nH+]c2)CC1 ZINC000131528336 223243679 /nfs/dbraw/zinc/24/36/79/223243679.db2.gz WDZHPLADLBDCBT-KRWDZBQOSA-N 2 2 330.432 0.941 10 0 ECAELP CC[C@@H]1CN(C(=O)NC[C@@H](C)[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC000117477530 221068986 /nfs/dbraw/zinc/06/89/86/221068986.db2.gz GJYNXWUXZAWWPC-HZPDHXFCSA-N 2 2 342.484 0.459 10 0 ECAELP CC[C@@H]1CN(C(=O)NC[C@@H](C)[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC000117477530 221068989 /nfs/dbraw/zinc/06/89/89/221068989.db2.gz GJYNXWUXZAWWPC-HZPDHXFCSA-N 2 2 342.484 0.459 10 0 ECAELP C[C@@H]1CN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)C[C@@H]1[NH+]1CCOCC1 ZINC000246609800 165140396 /nfs/dbraw/zinc/14/03/96/165140396.db2.gz WRJGNSQXVAXZGC-PMPSAXMXSA-N 2 2 347.463 0.595 10 0 ECAELP [NH3+]C1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCOCC1 ZINC000261594034 165212220 /nfs/dbraw/zinc/21/22/20/165212220.db2.gz NFJCVYULEXCLLR-INIZCTEOSA-N 2 2 333.432 0.512 10 0 ECAELP [NH3+]C1(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCOCC1 ZINC000261594034 165212222 /nfs/dbraw/zinc/21/22/22/165212222.db2.gz NFJCVYULEXCLLR-INIZCTEOSA-N 2 2 333.432 0.512 10 0 ECAELP C[C@H]1CN(c2ccc(CNC(=O)[C@H]([NH3+])C3CCOCC3)c[nH+]2)CCO1 ZINC000261847251 165251847 /nfs/dbraw/zinc/25/18/47/165251847.db2.gz RESQKPNWKQJXBW-SUMWQHHRSA-N 2 2 348.447 0.677 10 0 ECAELP Cc1cccc([C@H](CNC(=O)C2([NH3+])CCOCC2)[NH+]2CCOCC2)c1 ZINC000261911976 165262030 /nfs/dbraw/zinc/26/20/30/165262030.db2.gz TXLQCGMQOIMXIM-KRWDZBQOSA-N 2 2 347.459 0.992 10 0 ECAELP COc1ccc(OC)c(C[NH+]2CCN(Cc3noc(C[NH3+])n3)CC2)c1 ZINC000262212057 165308303 /nfs/dbraw/zinc/30/83/03/165308303.db2.gz LPXVSFMLLNVBOC-UHFFFAOYSA-N 2 2 347.419 0.863 10 0 ECAELP COC[C@H]([NH3+])C(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000262233123 165314573 /nfs/dbraw/zinc/31/45/73/165314573.db2.gz HAAKUEBYZFGHHW-LSDHHAIUSA-N 2 2 348.403 0.617 10 0 ECAELP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000262272044 165320542 /nfs/dbraw/zinc/32/05/42/165320542.db2.gz NBHCZWOZCAUPIH-PBHICJAKSA-N 2 2 333.432 0.512 10 0 ECAELP COC[C@H]([NH3+])C(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000262324726 165329497 /nfs/dbraw/zinc/32/94/97/165329497.db2.gz FVQZFEYSRPUFPL-WBVHZDCISA-N 2 2 335.448 0.710 10 0 ECAELP OC[C@@H]1CCCN1c1cc(NCCCC[NH+]2CCOCC2)nc[nH+]1 ZINC000105787856 436578181 /nfs/dbraw/zinc/57/81/81/436578181.db2.gz CJGVWHWWMOFIBT-HNNXBMFYSA-N 2 2 335.452 0.962 10 0 ECAELP OC[C@@H]1CCCN1c1cc(NCCCC[NH+]2CCOCC2)[nH+]cn1 ZINC000105787856 436578186 /nfs/dbraw/zinc/57/81/86/436578186.db2.gz CJGVWHWWMOFIBT-HNNXBMFYSA-N 2 2 335.452 0.962 10 0 ECAELP O=C(NC[C@H](O)C[NH+]1CCOCC1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000098093279 436545419 /nfs/dbraw/zinc/54/54/19/436545419.db2.gz FKVDZBSVBHMWJP-ROUUACIJSA-N 2 2 347.459 0.460 10 0 ECAELP O=C(NC[C@H](O)C[NH+]1CCOCC1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000098093279 436545421 /nfs/dbraw/zinc/54/54/21/436545421.db2.gz FKVDZBSVBHMWJP-ROUUACIJSA-N 2 2 347.459 0.460 10 0 ECAELP C[N@H+](CC(=O)NC(=O)NC1CC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000105862971 436581394 /nfs/dbraw/zinc/58/13/94/436581394.db2.gz QNDKTLJKHALVKH-UHFFFAOYSA-N 2 2 348.451 0.268 10 0 ECAELP C[N@@H+](CC(=O)NC(=O)NC1CC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000105862971 436581397 /nfs/dbraw/zinc/58/13/97/436581397.db2.gz QNDKTLJKHALVKH-UHFFFAOYSA-N 2 2 348.451 0.268 10 0 ECAELP COC(=O)CCC[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000116397127 436649910 /nfs/dbraw/zinc/64/99/10/436649910.db2.gz XIQSGNFTONNKDD-MRXNPFEDSA-N 2 2 327.469 0.666 10 0 ECAELP COC(=O)CCC[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000116397127 436649911 /nfs/dbraw/zinc/64/99/11/436649911.db2.gz XIQSGNFTONNKDD-MRXNPFEDSA-N 2 2 327.469 0.666 10 0 ECAELP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)COC(C)(C)C)CC1 ZINC000162285538 436902716 /nfs/dbraw/zinc/90/27/16/436902716.db2.gz YNCATVYFEABEOJ-HUUCEWRRSA-N 2 2 327.469 0.401 10 0 ECAELP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)COC(C)(C)C)CC1 ZINC000162285538 436902720 /nfs/dbraw/zinc/90/27/20/436902720.db2.gz YNCATVYFEABEOJ-HUUCEWRRSA-N 2 2 327.469 0.401 10 0 ECAELP O=C(CCCC[NH+]1CCOCC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172759300 437028669 /nfs/dbraw/zinc/02/86/69/437028669.db2.gz XOXOQNBIAFEQNK-MRXNPFEDSA-N 2 2 325.453 0.422 10 0 ECAELP CCOCC[N@@H+]1CCN(C(=O)NC[C@@H]2C[NH+](C)CCO2)C[C@@H]1CC ZINC000172134184 437000700 /nfs/dbraw/zinc/00/07/00/437000700.db2.gz JJURPXMMGMZUAF-JKSUJKDBSA-N 2 2 342.484 0.459 10 0 ECAELP CCOCC[N@H+]1CCN(C(=O)NC[C@@H]2C[NH+](C)CCO2)C[C@@H]1CC ZINC000172134184 437000703 /nfs/dbraw/zinc/00/07/03/437000703.db2.gz JJURPXMMGMZUAF-JKSUJKDBSA-N 2 2 342.484 0.459 10 0 ECAELP CCOCC[NH+]1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)C[C@@H]1CC ZINC000172134184 437000705 /nfs/dbraw/zinc/00/07/05/437000705.db2.gz JJURPXMMGMZUAF-JKSUJKDBSA-N 2 2 342.484 0.459 10 0 ECAELP CCOCC[NH+]1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1CC ZINC000172134184 437000708 /nfs/dbraw/zinc/00/07/08/437000708.db2.gz JJURPXMMGMZUAF-JKSUJKDBSA-N 2 2 342.484 0.459 10 0 ECAELP CCn1cc(C[N@@H+]2CCCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)cn1 ZINC000174654994 437085259 /nfs/dbraw/zinc/08/52/59/437085259.db2.gz ZZZWQZPOSSSZDJ-MRXNPFEDSA-N 2 2 335.452 0.268 10 0 ECAELP CCn1cc(C[N@H+]2CCCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)cn1 ZINC000174654994 437085265 /nfs/dbraw/zinc/08/52/65/437085265.db2.gz ZZZWQZPOSSSZDJ-MRXNPFEDSA-N 2 2 335.452 0.268 10 0 ECAELP CCn1cc(C[NH+]2CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)cn1 ZINC000174654994 437085268 /nfs/dbraw/zinc/08/52/68/437085268.db2.gz ZZZWQZPOSSSZDJ-MRXNPFEDSA-N 2 2 335.452 0.268 10 0 ECAELP CCn1cc(C[NH+]2CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)cn1 ZINC000174654994 437085273 /nfs/dbraw/zinc/08/52/73/437085273.db2.gz ZZZWQZPOSSSZDJ-MRXNPFEDSA-N 2 2 335.452 0.268 10 0 ECAELP CC[C@@H](O)C[NH+]1CCN(C(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000181809751 320528037 /nfs/dbraw/zinc/52/80/37/320528037.db2.gz TUDCGJIHUNZIMW-JKSUJKDBSA-N 2 2 342.484 0.053 10 0 ECAELP Cn1cc[nH+]c1N1CC[NH+](CC(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000333127743 320912982 /nfs/dbraw/zinc/91/29/82/320912982.db2.gz WCTHYMYEKIAGSJ-CYBMUJFWSA-N 2 2 334.424 0.316 10 0 ECAELP C[C@H](CNC(=O)NCCN1CCC([NH+](C)C)CC1)[NH+]1CCOCC1 ZINC000175603413 545870756 /nfs/dbraw/zinc/87/07/56/545870756.db2.gz RUSXXEBKGWHIJZ-OAHLLOKOSA-N 2 2 341.500 0.032 10 0 ECAELP CC[C@@H](O)C[NH+]1CCN(C(=O)/C=C(/C)C[NH+]2CCOCC2)CC1 ZINC000900598920 586646037 /nfs/dbraw/zinc/64/60/37/586646037.db2.gz AHVRNJSXUZUZIQ-RTYFKUQISA-N 2 2 325.453 0.180 10 0 ECAELP CN(C)c1[nH+]cc(C[NH2+]C[C@@H]2OCCN(C)[C@H]2c2ccnn2C)n1C ZINC000886074713 590790814 /nfs/dbraw/zinc/79/08/14/590790814.db2.gz QBGJJRGGJATXDZ-HOTGVXAUSA-N 2 2 347.467 0.381 10 0 ECAELP C[C@@H](NC(N)=O)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000172850242 296111907 /nfs/dbraw/zinc/11/19/07/296111907.db2.gz BSBOTDJMDIPNSA-CYBMUJFWSA-N 2 2 325.457 0.110 10 0 ECAELP O[C@]12CC[NH2+]C[C@H]1CN(c1ccc(C[NH+]3CCOCC3)cn1)CC2 ZINC000095353627 218286699 /nfs/dbraw/zinc/28/66/99/218286699.db2.gz OYXWCKLYBRBMAM-WMZOPIPTSA-N 2 2 332.448 0.465 10 0 ECAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000180045144 533414672 /nfs/dbraw/zinc/41/46/72/533414672.db2.gz JJLWWGLDSOEOJC-UKRRQHHQSA-N 2 2 341.477 0.831 10 0 ECAELP C[C@@H]1CN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)C[C@H]1[NH+]1CCOCC1 ZINC000246609792 165139954 /nfs/dbraw/zinc/13/99/54/165139954.db2.gz WRJGNSQXVAXZGC-OWCLPIDISA-N 2 2 347.463 0.595 10 0 ECAELP [NH3+]C1(C(=O)NCc2ccccc2C[NH+]2CCOCC2)CCOCC1 ZINC000261641997 165220731 /nfs/dbraw/zinc/22/07/31/165220731.db2.gz ILAUEZGURXHPHB-UHFFFAOYSA-N 2 2 333.432 0.643 10 0 ECAELP [NH3+]C[C@H]1CCC[C@H]1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000261659308 165222906 /nfs/dbraw/zinc/22/29/06/165222906.db2.gz FCAPIZSZOPEMHC-FMKPAKJESA-N 2 2 327.494 0.686 10 0 ECAELP C[C@H](CN1CC[NH+](C)CC1)Nc1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000301185281 296883143 /nfs/dbraw/zinc/88/31/43/296883143.db2.gz JSZYFLGIUNMSKY-CABCVRRESA-N 2 2 334.468 0.486 10 0 ECAELP OC[C@@H]1CCCN1c1cc(N2CC[NH+](C[C@H]3CCOC3)CC2)nc[nH+]1 ZINC000301584871 296889005 /nfs/dbraw/zinc/88/90/05/296889005.db2.gz VTBBBSUYFJGBAE-CVEARBPZSA-N 2 2 347.463 0.596 10 0 ECAELP Cn1cc[nH+]c1CC1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000333511606 297139047 /nfs/dbraw/zinc/13/90/47/297139047.db2.gz FGJBCSOHFBNQLW-MRXNPFEDSA-N 2 2 348.495 0.630 10 0 ECAELP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000138977887 436663283 /nfs/dbraw/zinc/66/32/83/436663283.db2.gz CYJCRWIEGKUNQH-CABCVRRESA-N 2 2 335.452 0.715 10 0 ECAELP C[C@@H](C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1)[C@H](C)[NH3+] ZINC000249036395 436814157 /nfs/dbraw/zinc/81/41/57/436814157.db2.gz MTABABKFIICJQE-OWCLPIDISA-N 2 2 335.448 0.554 10 0 ECAELP CN1CCN(c2cc(N3CC[N@@H+]4CCCC[C@@H]4C3)nc[nH+]2)CC1=O ZINC000274330962 436816902 /nfs/dbraw/zinc/81/69/02/436816902.db2.gz FXIRODUJECYRHA-CQSZACIVSA-N 2 2 330.436 0.430 10 0 ECAELP CN1CCN(c2cc(N3CC[N@H+]4CCCC[C@@H]4C3)nc[nH+]2)CC1=O ZINC000274330962 436816903 /nfs/dbraw/zinc/81/69/03/436816903.db2.gz FXIRODUJECYRHA-CQSZACIVSA-N 2 2 330.436 0.430 10 0 ECAELP CN1CC[NH+](Cc2cccc(NC(=O)C3([NH3+])CCOCC3)c2)CC1 ZINC000261902289 436894829 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341.481 0.900 10 0 ECAELP C[N@@H+]1CCC[C@H]1c1cc(C(=O)N2CCO[C@H]3CC[NH+](C)C[C@@H]32)n[nH]1 ZINC000897709060 586360909 /nfs/dbraw/zinc/36/09/09/586360909.db2.gz HHHTYQTXELUHAC-JYJNAYRXSA-N 2 2 333.436 0.722 10 0 ECAELP C[N@H+]1CCC[C@H]1c1cc(C(=O)N2CCO[C@H]3CC[NH+](C)C[C@@H]32)n[nH]1 ZINC000897709060 586360910 /nfs/dbraw/zinc/36/09/10/586360910.db2.gz HHHTYQTXELUHAC-JYJNAYRXSA-N 2 2 333.436 0.722 10 0 ECAELP C[NH+]1CCC[C@H]1c1cc(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)n[nH]1 ZINC000897709060 586360911 /nfs/dbraw/zinc/36/09/11/586360911.db2.gz HHHTYQTXELUHAC-JYJNAYRXSA-N 2 2 333.436 0.722 10 0 ECAELP C[NH+]1CCC[C@H]1c1cc(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)n[nH]1 ZINC000897709060 586360913 /nfs/dbraw/zinc/36/09/13/586360913.db2.gz HHHTYQTXELUHAC-JYJNAYRXSA-N 2 2 333.436 0.722 10 0 ECAELP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N2CCO[C@H]3CC[NH+](C)C[C@@H]32)n[nH]1 ZINC000897709062 586361359 /nfs/dbraw/zinc/36/13/59/586361359.db2.gz HHHTYQTXELUHAC-PMPSAXMXSA-N 2 2 333.436 0.722 10 0 ECAELP C[N@H+]1CCC[C@@H]1c1cc(C(=O)N2CCO[C@H]3CC[NH+](C)C[C@@H]32)n[nH]1 ZINC000897709062 586361360 /nfs/dbraw/zinc/36/13/60/586361360.db2.gz HHHTYQTXELUHAC-PMPSAXMXSA-N 2 2 333.436 0.722 10 0 ECAELP C[NH+]1CCC[C@@H]1c1cc(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)n[nH]1 ZINC000897709062 586361363 /nfs/dbraw/zinc/36/13/63/586361363.db2.gz HHHTYQTXELUHAC-PMPSAXMXSA-N 2 2 333.436 0.722 10 0 ECAELP C[NH+]1CCC[C@@H]1c1cc(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)n[nH]1 ZINC000897709062 586361364 /nfs/dbraw/zinc/36/13/64/586361364.db2.gz HHHTYQTXELUHAC-PMPSAXMXSA-N 2 2 333.436 0.722 10 0 ECAELP CCn1cc(C[N@@H+]2CCCN(C(=O)[C@@]3(C)C[C@@H](O)C[NH+]3C)CC2)cn1 ZINC000900594897 586645437 /nfs/dbraw/zinc/64/54/37/586645437.db2.gz UHDNWMNZFOAPFY-SJLPKXTDSA-N 2 2 349.479 0.392 10 0 ECAELP CCn1cc(C[N@H+]2CCCN(C(=O)[C@@]3(C)C[C@@H](O)C[NH+]3C)CC2)cn1 ZINC000900594897 586645438 /nfs/dbraw/zinc/64/54/38/586645438.db2.gz UHDNWMNZFOAPFY-SJLPKXTDSA-N 2 2 349.479 0.392 10 0 ECAELP CCn1cc(C[NH+]2CCCN(C(=O)[C@@]3(C)C[C@@H](O)C[N@@H+]3C)CC2)cn1 ZINC000900594897 586645439 /nfs/dbraw/zinc/64/54/39/586645439.db2.gz UHDNWMNZFOAPFY-SJLPKXTDSA-N 2 2 349.479 0.392 10 0 ECAELP CCn1cc(C[NH+]2CCCN(C(=O)[C@@]3(C)C[C@@H](O)C[N@H+]3C)CC2)cn1 ZINC000900594897 586645440 /nfs/dbraw/zinc/64/54/40/586645440.db2.gz UHDNWMNZFOAPFY-SJLPKXTDSA-N 2 2 349.479 0.392 10 0 ECAELP CO[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2[NH2+]CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000886082597 590792434 /nfs/dbraw/zinc/79/24/34/590792434.db2.gz UFVSUTLHQAYQAP-BBWFWOEESA-N 3 2 338.496 0.382 10 0 ECAELP CO[C@H]1CC[N@H+]([C@H]2CCC[C@H]2[NH2+]CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000886082597 590792437 /nfs/dbraw/zinc/79/24/37/590792437.db2.gz UFVSUTLHQAYQAP-BBWFWOEESA-N 3 2 338.496 0.382 10 0 ECAELP C[NH+](C)C[C@@H]1CN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CCO1 ZINC000117025092 282123530 /nfs/dbraw/zinc/12/35/30/282123530.db2.gz QUDPIASRAYMFPW-CQSZACIVSA-N 2 2 328.457 0.069 10 0 ECAELP CCC(CC)[C@@H](C(=O)NC[C@H]1C[N@H+](C)CCO1)[NH+]1CCOCC1 ZINC000173337789 282224173 /nfs/dbraw/zinc/22/41/73/282224173.db2.gz MYNSXNTVKUKFDG-HOTGVXAUSA-N 2 2 327.469 0.570 10 0 ECAELP CCC(CC)[C@@H](C(=O)NC[C@H]1C[N@@H+](C)CCO1)[NH+]1CCOCC1 ZINC000173337789 282224176 /nfs/dbraw/zinc/22/41/76/282224176.db2.gz MYNSXNTVKUKFDG-HOTGVXAUSA-N 2 2 327.469 0.570 10 0 ECAELP O=C([C@H]1C[NH2+]CC(=O)N1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000072408318 216200239 /nfs/dbraw/zinc/20/02/39/216200239.db2.gz BHMAVUGBGOQSRU-QGZVFWFLSA-N 2 2 342.443 0.124 10 0 ECAELP O=C([C@H]1C[NH2+]CC(=O)N1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000072408318 216200242 /nfs/dbraw/zinc/20/02/42/216200242.db2.gz BHMAVUGBGOQSRU-QGZVFWFLSA-N 2 2 342.443 0.124 10 0 ECAELP C[C@@H]1C(=O)NCCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000189282634 165008527 /nfs/dbraw/zinc/00/85/27/165008527.db2.gz MNWRYKZWUDFKRS-ZBFHGGJFSA-N 2 2 332.448 0.616 10 0 ECAELP C[C@@H]1C(=O)NCCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000189282634 165008529 /nfs/dbraw/zinc/00/85/29/165008529.db2.gz MNWRYKZWUDFKRS-ZBFHGGJFSA-N 2 2 332.448 0.616 10 0 ECAELP CCOC(=O)C1CCC(O)(C[N@@H+]2CCO[C@H](C[NH+](C)C)C2)CC1 ZINC000190869255 165027307 /nfs/dbraw/zinc/02/73/07/165027307.db2.gz QRGDEFKEQVSZDT-ISXOHVOVSA-N 2 2 328.453 0.733 10 0 ECAELP CCOC(=O)C1CCC(O)(C[N@H+]2CCO[C@H](C[NH+](C)C)C2)CC1 ZINC000190869255 165027308 /nfs/dbraw/zinc/02/73/08/165027308.db2.gz QRGDEFKEQVSZDT-ISXOHVOVSA-N 2 2 328.453 0.733 10 0 ECAELP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NCC(=O)N1CCCC1 ZINC000195515876 165083544 /nfs/dbraw/zinc/08/35/44/165083544.db2.gz UISCRLXUESGGAO-OAHLLOKOSA-N 2 2 345.447 0.554 10 0 ECAELP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NCC(=O)N1CCCC1 ZINC000195515876 165083556 /nfs/dbraw/zinc/08/35/56/165083556.db2.gz UISCRLXUESGGAO-OAHLLOKOSA-N 2 2 345.447 0.554 10 0 ECAELP C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000246737522 165142318 /nfs/dbraw/zinc/14/23/18/165142318.db2.gz WIXPEHGTQVWFTK-USXIJHARSA-N 2 2 336.480 0.975 10 0 ECAELP C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000246737522 165142323 /nfs/dbraw/zinc/14/23/23/165142323.db2.gz WIXPEHGTQVWFTK-USXIJHARSA-N 2 2 336.480 0.975 10 0 ECAELP C[NH+]1CCO[C@H](CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000246737522 165142327 /nfs/dbraw/zinc/14/23/27/165142327.db2.gz WIXPEHGTQVWFTK-USXIJHARSA-N 2 2 336.480 0.975 10 0 ECAELP C[NH+]1CCO[C@H](CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000246737522 165142330 /nfs/dbraw/zinc/14/23/30/165142330.db2.gz WIXPEHGTQVWFTK-USXIJHARSA-N 2 2 336.480 0.975 10 0 ECAELP CSC[C@H](O)C[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000249281416 165196550 /nfs/dbraw/zinc/19/65/50/165196550.db2.gz PNUMWIZVBUNQLM-HZPDHXFCSA-N 2 2 331.526 0.437 10 0 ECAELP CSC[C@H](O)C[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000249281416 165196552 /nfs/dbraw/zinc/19/65/52/165196552.db2.gz PNUMWIZVBUNQLM-HZPDHXFCSA-N 2 2 331.526 0.437 10 0 ECAELP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261721908 165233680 /nfs/dbraw/zinc/23/36/80/165233680.db2.gz NNQQZGSBZJLCBM-GJZGRUSLSA-N 2 2 346.479 0.573 10 0 ECAELP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261721908 165233689 /nfs/dbraw/zinc/23/36/89/165233689.db2.gz NNQQZGSBZJLCBM-GJZGRUSLSA-N 2 2 346.479 0.573 10 0 ECAELP C[C@@H]1CN(c2ccc(CNC(=O)C3([NH3+])CCOCC3)c[nH+]2)C[C@H](C)O1 ZINC000261919600 165261951 /nfs/dbraw/zinc/26/19/51/165261951.db2.gz UUZIBVDJNTVFDV-OKILXGFUSA-N 2 2 348.447 0.819 10 0 ECAELP COC[C@H]([NH3+])C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000262312889 165327545 /nfs/dbraw/zinc/32/75/45/165327545.db2.gz PIQFFUZOZXALIO-INIZCTEOSA-N 2 2 346.431 0.886 10 0 ECAELP C[NH+](C)Cc1nc(C2(NC(=O)C[C@H]3COCC[NH2+]3)CCCC2)no1 ZINC000262317767 165329056 /nfs/dbraw/zinc/32/90/56/165329056.db2.gz DTSIGOBCOSTRKF-LBPRGKRZSA-N 2 2 337.424 0.395 10 0 ECAELP O=C(NC[C@H]1OC[C@@H]([NH2+]Cc2c[nH+]c[nH]2)[C@@H]1O)c1ccc(F)cc1 ZINC000077264437 436229019 /nfs/dbraw/zinc/22/90/19/436229019.db2.gz NZHINSSHYDZVML-KFWWJZLASA-N 2 2 334.351 0.197 10 0 ECAELP C[N@@H+]1CCN(C(=O)C2CC[NH+](CC(N)=O)CC2)[C@@H](c2ccccc2)C1 ZINC000091965293 436465753 /nfs/dbraw/zinc/46/57/53/436465753.db2.gz AHZCMTVUJQXOLJ-QGZVFWFLSA-N 2 2 344.459 0.699 10 0 ECAELP C[N@H+]1CCN(C(=O)C2CC[NH+](CC(N)=O)CC2)[C@@H](c2ccccc2)C1 ZINC000091965293 436465757 /nfs/dbraw/zinc/46/57/57/436465757.db2.gz AHZCMTVUJQXOLJ-QGZVFWFLSA-N 2 2 344.459 0.699 10 0 ECAELP C[C@H](CNC(=O)C1CC[NH+](Cc2nccn2C)CC1)[NH+]1CCOCC1 ZINC000052610228 436511185 /nfs/dbraw/zinc/51/11/85/436511185.db2.gz LRLPEJQOLYPIDK-OAHLLOKOSA-N 2 2 349.479 0.469 10 0 ECAELP CC(C)OC[C@@H](O)C[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000105903204 436586616 /nfs/dbraw/zinc/58/66/16/436586616.db2.gz ZYQQNUJREIPQKO-ROUUACIJSA-N 2 2 343.512 0.499 10 0 ECAELP CC(C)OC[C@@H](O)C[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000105903204 436586620 /nfs/dbraw/zinc/58/66/20/436586620.db2.gz ZYQQNUJREIPQKO-ROUUACIJSA-N 2 2 343.512 0.499 10 0 ECAELP CCOC(=O)CC[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000105915247 436586944 /nfs/dbraw/zinc/58/69/44/436586944.db2.gz QHGBFTJYORZVTO-MRXNPFEDSA-N 2 2 327.469 0.666 10 0 ECAELP CCOC(=O)CC[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000105915247 436586945 /nfs/dbraw/zinc/58/69/45/436586945.db2.gz QHGBFTJYORZVTO-MRXNPFEDSA-N 2 2 327.469 0.666 10 0 ECAELP Cc1nc(C)n(C[C@H]2CCC[N@@H+](CC(=O)N3CC[NH+](C)CC3)C2)n1 ZINC000121018015 436705051 /nfs/dbraw/zinc/70/50/51/436705051.db2.gz IKUHESHWWYIABC-INIZCTEOSA-N 2 2 334.468 0.381 10 0 ECAELP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000125684794 436774830 /nfs/dbraw/zinc/77/48/30/436774830.db2.gz SSOYVVJHHLAPAA-HNNXBMFYSA-N 2 2 342.484 0.317 10 0 ECAELP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000125684794 436774833 /nfs/dbraw/zinc/77/48/33/436774833.db2.gz SSOYVVJHHLAPAA-HNNXBMFYSA-N 2 2 342.484 0.317 10 0 ECAELP COC[C@@H]([NH3+])C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000263253841 436959062 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ECAELP CCOCC[N@@H+]1CCN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)C[C@@H]1C ZINC000246222596 165127043 /nfs/dbraw/zinc/12/70/43/165127043.db2.gz QBLBBIYTQBNBAK-HOTGVXAUSA-N 2 2 349.479 0.985 10 0 ECAELP CCOCC[N@H+]1CCN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)C[C@@H]1C ZINC000246222596 165127046 /nfs/dbraw/zinc/12/70/46/165127046.db2.gz QBLBBIYTQBNBAK-HOTGVXAUSA-N 2 2 349.479 0.985 10 0 ECAELP COCC[N@@H+]1CCN(C(=O)NC[C@H](C)C[NH+]2CCOCC2)C[C@@H]1C ZINC000247259165 165157284 /nfs/dbraw/zinc/15/72/84/165157284.db2.gz AWNGFXVFCCNXFT-HOTGVXAUSA-N 2 2 342.484 0.317 10 0 ECAELP COCC[N@H+]1CCN(C(=O)NC[C@H](C)C[NH+]2CCOCC2)C[C@@H]1C ZINC000247259165 165157285 /nfs/dbraw/zinc/15/72/85/165157285.db2.gz AWNGFXVFCCNXFT-HOTGVXAUSA-N 2 2 342.484 0.317 10 0 ECAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](C[C@@H](O)C(F)(F)F)CC2)C1 ZINC000248400036 165172529 /nfs/dbraw/zinc/17/25/29/165172529.db2.gz PTLMUSOQJXZIAM-ZIAGYGMSSA-N 2 2 339.402 0.636 10 0 ECAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](C[C@@H](O)C(F)(F)F)CC2)C1 ZINC000248400036 165172531 /nfs/dbraw/zinc/17/25/31/165172531.db2.gz PTLMUSOQJXZIAM-ZIAGYGMSSA-N 2 2 339.402 0.636 10 0 ECAELP C[C@H](O)C[N@@H+]1CCN(C(=O)NCCCC[NH+]2CCOCC2)C[C@H]1C ZINC000248609142 165179598 /nfs/dbraw/zinc/17/95/98/165179598.db2.gz KMQXZMYDJUEJND-CVEARBPZSA-N 2 2 342.484 0.195 10 0 ECAELP C[C@H](O)C[N@H+]1CCN(C(=O)NCCCC[NH+]2CCOCC2)C[C@H]1C ZINC000248609142 165179609 /nfs/dbraw/zinc/17/96/09/165179609.db2.gz KMQXZMYDJUEJND-CVEARBPZSA-N 2 2 342.484 0.195 10 0 ECAELP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)N[C@H](C)C(=O)N(C)C)C2)[nH+]1 ZINC000249901010 165204013 /nfs/dbraw/zinc/20/40/13/165204013.db2.gz SYWZSIISMVNLFH-HUUCEWRRSA-N 2 2 347.463 0.717 10 0 ECAELP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)N[C@H](C)C(=O)N(C)C)C2)[nH+]1 ZINC000249901010 165204019 /nfs/dbraw/zinc/20/40/19/165204019.db2.gz SYWZSIISMVNLFH-HUUCEWRRSA-N 2 2 347.463 0.717 10 0 ECAELP [NH3+]C1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCOCC1 ZINC000261594035 165213806 /nfs/dbraw/zinc/21/38/06/165213806.db2.gz NFJCVYULEXCLLR-MRXNPFEDSA-N 2 2 333.432 0.512 10 0 ECAELP [NH3+]C1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCOCC1 ZINC000261594035 165213810 /nfs/dbraw/zinc/21/38/10/165213810.db2.gz NFJCVYULEXCLLR-MRXNPFEDSA-N 2 2 333.432 0.512 10 0 ECAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@H]([NH3+])C(C)(C)C2)C1 ZINC000261626831 165216640 /nfs/dbraw/zinc/21/66/40/165216640.db2.gz DYBFVQDUKXQETF-HOTGVXAUSA-N 3 2 340.512 0.519 10 0 ECAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@H]([NH3+])C(C)(C)C2)C1 ZINC000261626831 165216646 /nfs/dbraw/zinc/21/66/46/165216646.db2.gz DYBFVQDUKXQETF-HOTGVXAUSA-N 3 2 340.512 0.519 10 0 ECAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)C1 ZINC000261626831 165216650 /nfs/dbraw/zinc/21/66/50/165216650.db2.gz DYBFVQDUKXQETF-HOTGVXAUSA-N 3 2 340.512 0.519 10 0 ECAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)C1 ZINC000261626831 165216653 /nfs/dbraw/zinc/21/66/53/165216653.db2.gz DYBFVQDUKXQETF-HOTGVXAUSA-N 3 2 340.512 0.519 10 0 ECAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000261626835 165217919 /nfs/dbraw/zinc/21/79/19/165217919.db2.gz DYBFVQDUKXQETF-HZPDHXFCSA-N 3 2 340.512 0.519 10 0 ECAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000261626835 165217923 /nfs/dbraw/zinc/21/79/23/165217923.db2.gz DYBFVQDUKXQETF-HZPDHXFCSA-N 3 2 340.512 0.519 10 0 ECAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000261626835 165217927 /nfs/dbraw/zinc/21/79/27/165217927.db2.gz DYBFVQDUKXQETF-HZPDHXFCSA-N 3 2 340.512 0.519 10 0 ECAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000261626835 165217928 /nfs/dbraw/zinc/21/79/28/165217928.db2.gz DYBFVQDUKXQETF-HZPDHXFCSA-N 3 2 340.512 0.519 10 0 ECAELP COC[C@@H]([NH3+])C(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000262355474 165337068 /nfs/dbraw/zinc/33/70/68/165337068.db2.gz JNFGMTULSAINJC-CQSZACIVSA-N 2 2 341.839 0.837 10 0 ECAELP C[C@H](C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1)C1C[NH2+]C1 ZINC000262411534 165346056 /nfs/dbraw/zinc/34/60/56/165346056.db2.gz QQDPHBHRQQYOCG-HNNXBMFYSA-N 2 2 347.459 0.869 10 0 ECAELP C[C@H]1OCC[NH2+][C@@H]1C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000262407402 165346158 /nfs/dbraw/zinc/34/61/58/165346158.db2.gz YYOZJYIPHHYTBS-WQVCFCJDSA-N 2 2 346.431 0.452 10 0 ECAELP C[C@H]1OCC[NH2+][C@@H]1C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000262407402 165346160 /nfs/dbraw/zinc/34/61/60/165346160.db2.gz YYOZJYIPHHYTBS-WQVCFCJDSA-N 2 2 346.431 0.452 10 0 ECAELP C[NH+]1CCN(c2nc3ccc(N)cc3nc2N2CC[NH+](C)CC2)CC1 ZINC000026182390 436161439 /nfs/dbraw/zinc/16/14/39/436161439.db2.gz DYJCLTDKKIKWJG-UHFFFAOYSA-N 2 2 341.463 0.716 10 0 ECAELP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000076306672 436198534 /nfs/dbraw/zinc/19/85/34/436198534.db2.gz SFEUFQLECOZVRI-GDBMZVCRSA-N 2 2 327.469 0.617 10 0 ECAELP Cc1nc2ccccn2c1C[NH+]1C[C@H](CO)[C@H](C[N@H+](C)CCO)C1 ZINC000091270497 436448729 /nfs/dbraw/zinc/44/87/29/436448729.db2.gz GNWCXVLWJADMGL-HZPDHXFCSA-N 2 2 332.448 0.607 10 0 ECAELP Cc1nc2ccccn2c1C[NH+]1C[C@H](CO)[C@H](C[N@@H+](C)CCO)C1 ZINC000091270497 436448736 /nfs/dbraw/zinc/44/87/36/436448736.db2.gz GNWCXVLWJADMGL-HZPDHXFCSA-N 2 2 332.448 0.607 10 0 ECAELP Cc1nc2ccccn2c1C[N@@H+]1C[C@H](CO)[C@H](C[NH+](C)CCO)C1 ZINC000091270497 436448739 /nfs/dbraw/zinc/44/87/39/436448739.db2.gz GNWCXVLWJADMGL-HZPDHXFCSA-N 2 2 332.448 0.607 10 0 ECAELP Cc1nc2ccccn2c1C[N@H+]1C[C@H](CO)[C@H](C[NH+](C)CCO)C1 ZINC000091270497 436448742 /nfs/dbraw/zinc/44/87/42/436448742.db2.gz GNWCXVLWJADMGL-HZPDHXFCSA-N 2 2 332.448 0.607 10 0 ECAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCNS(C)(=O)=O)C1 ZINC000195284987 436685722 /nfs/dbraw/zinc/68/57/22/436685722.db2.gz KHFWYYADKOCKNV-OAHLLOKOSA-N 2 2 326.466 0.385 10 0 ECAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCNS(C)(=O)=O)C1 ZINC000195284987 436685726 /nfs/dbraw/zinc/68/57/26/436685726.db2.gz KHFWYYADKOCKNV-OAHLLOKOSA-N 2 2 326.466 0.385 10 0 ECAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CCNS(C)(=O)=O)C1 ZINC000195284987 436685728 /nfs/dbraw/zinc/68/57/28/436685728.db2.gz KHFWYYADKOCKNV-OAHLLOKOSA-N 2 2 326.466 0.385 10 0 ECAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000195284987 436685733 /nfs/dbraw/zinc/68/57/33/436685733.db2.gz KHFWYYADKOCKNV-OAHLLOKOSA-N 2 2 326.466 0.385 10 0 ECAELP CCOCCNC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195279984 436686301 /nfs/dbraw/zinc/68/63/01/436686301.db2.gz KDIICKOLPULXKT-KRWDZBQOSA-N 2 2 334.464 0.988 10 0 ECAELP CCOCCNC(=O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195279984 436686305 /nfs/dbraw/zinc/68/63/05/436686305.db2.gz KDIICKOLPULXKT-KRWDZBQOSA-N 2 2 334.464 0.988 10 0 ECAELP CCOCCNC(=O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195279984 436686308 /nfs/dbraw/zinc/68/63/08/436686308.db2.gz KDIICKOLPULXKT-KRWDZBQOSA-N 2 2 334.464 0.988 10 0 ECAELP CCOCCNC(=O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195279984 436686309 /nfs/dbraw/zinc/68/63/09/436686309.db2.gz KDIICKOLPULXKT-KRWDZBQOSA-N 2 2 334.464 0.988 10 0 ECAELP CC[C@H](O)C[NH+]1CCN(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000248486705 436804390 /nfs/dbraw/zinc/80/43/90/436804390.db2.gz LKUIJKNNGVMKKW-JYJNAYRXSA-N 2 2 342.484 0.194 10 0 ECAELP O=C(NC[C@H](O)C[NH+]1CCOCC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000133023979 436873141 /nfs/dbraw/zinc/87/31/41/436873141.db2.gz AYUTYBRKBXTRSK-WBVHZDCISA-N 2 2 339.480 0.450 10 0 ECAELP O=C(NC[C@H](O)C[NH+]1CCOCC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000133023979 436873148 /nfs/dbraw/zinc/87/31/48/436873148.db2.gz AYUTYBRKBXTRSK-WBVHZDCISA-N 2 2 339.480 0.450 10 0 ECAELP [NH3+][C@H](C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)C1CCOCC1 ZINC000261932408 436896944 /nfs/dbraw/zinc/89/69/44/436896944.db2.gz ISOGTWIGDGRORQ-HOCLYGCPSA-N 2 2 343.493 0.064 10 0 ECAELP CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000662741152 439868829 /nfs/dbraw/zinc/86/88/29/439868829.db2.gz DAWLRZPDZLDWHU-ZWKOTPCHSA-N 2 2 330.476 0.918 10 0 ECAELP CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000662741152 439868836 /nfs/dbraw/zinc/86/88/36/439868836.db2.gz DAWLRZPDZLDWHU-ZWKOTPCHSA-N 2 2 330.476 0.918 10 0 ECAELP CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC000662941233 439957003 /nfs/dbraw/zinc/95/70/03/439957003.db2.gz UCJGWDBKMCWZJF-ROUUACIJSA-N 2 2 346.475 0.155 10 0 ECAELP CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC000662941233 439957011 /nfs/dbraw/zinc/95/70/11/439957011.db2.gz UCJGWDBKMCWZJF-ROUUACIJSA-N 2 2 346.475 0.155 10 0 ECAELP CN(C[C@H]1C[N@H+](C)CCO1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000681711931 549291095 /nfs/dbraw/zinc/29/10/95/549291095.db2.gz VIMGRLOZMOUQIB-RTBURBONSA-N 2 2 333.476 0.886 10 0 ECAELP CN(C[C@H]1C[N@@H+](C)CCO1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000681711931 549291100 /nfs/dbraw/zinc/29/11/00/549291100.db2.gz VIMGRLOZMOUQIB-RTBURBONSA-N 2 2 333.476 0.886 10 0 ECAELP CN(C[C@H]1C[NH+](C)CCO1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000681711931 549291106 /nfs/dbraw/zinc/29/11/06/549291106.db2.gz VIMGRLOZMOUQIB-RTBURBONSA-N 2 2 333.476 0.886 10 0 ECAELP CN(C[C@H]1C[NH+](C)CCO1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000681711931 549291109 /nfs/dbraw/zinc/29/11/09/549291109.db2.gz VIMGRLOZMOUQIB-RTBURBONSA-N 2 2 333.476 0.886 10 0 ECAELP CN1CCO[C@@H](C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000681711931 549291115 /nfs/dbraw/zinc/29/11/15/549291115.db2.gz VIMGRLOZMOUQIB-RTBURBONSA-N 2 2 333.476 0.886 10 0 ECAELP CN1CCO[C@@H](C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000681711931 549291119 /nfs/dbraw/zinc/29/11/19/549291119.db2.gz VIMGRLOZMOUQIB-RTBURBONSA-N 2 2 333.476 0.886 10 0 ECAELP CN1CCO[C@@H](C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000681711931 549291124 /nfs/dbraw/zinc/29/11/24/549291124.db2.gz VIMGRLOZMOUQIB-RTBURBONSA-N 2 2 333.476 0.886 10 0 ECAELP CN1CCO[C@@H](C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000681711931 549291130 /nfs/dbraw/zinc/29/11/30/549291130.db2.gz VIMGRLOZMOUQIB-RTBURBONSA-N 2 2 333.476 0.886 10 0 ECAELP Cn1cc[nH+]c1[C@@H]1[C@@H](C(=O)NCC[N@H+]2CC=CCC2)CCC(=O)N1C ZINC000886078452 590791687 /nfs/dbraw/zinc/79/16/87/590791687.db2.gz SMXDMYGISCLUDW-HOCLYGCPSA-N 2 2 345.447 0.708 10 0 ECAELP Cn1cc[nH+]c1[C@@H]1[C@@H](C(=O)NCC[N@@H+]2CC=CCC2)CCC(=O)N1C ZINC000886078452 590791689 /nfs/dbraw/zinc/79/16/89/590791689.db2.gz SMXDMYGISCLUDW-HOCLYGCPSA-N 2 2 345.447 0.708 10 0 ECAELP