smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCN(c2c(C(N)=O)noc2C(=O)c2ccccc2)CC1 ZINC000090505056 185299528 /nfs/dbraw/zinc/29/95/28/185299528.db2.gz FBHBOOKDKLWKHN-UHFFFAOYSA-N 1 2 314.345 0.756 10 0 DCAELO C[C@@H](CS(C)(=O)=O)NC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000172054334 198032049 /nfs/dbraw/zinc/03/20/49/198032049.db2.gz ACLICSMGQYIJGH-JSGCOSHPSA-N 1 2 312.435 0.709 10 0 DCAELO CC(C)(CNC(=O)CNC(=O)c1ccccn1)[NH+]1CCOCC1 ZINC000172494120 198105702 /nfs/dbraw/zinc/10/57/02/198105702.db2.gz UVLYBDNFVDUJNT-UHFFFAOYSA-N 1 2 320.393 0.038 10 0 DCAELO O=C(N[C@H]1CCc2n[nH]cc2C1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000153912076 295900666 /nfs/dbraw/zinc/90/06/66/295900666.db2.gz HNXKKZUGVZTJOX-UONOGXRCSA-N 1 2 319.409 0.383 10 0 DCAELO CCc1ccc(S(=O)(=O)NC[C@H]2C[N@H+](C)CCO2)s1 ZINC000074773651 191358392 /nfs/dbraw/zinc/35/83/92/191358392.db2.gz QUQTYTXHSUOQCY-JTQLQIEISA-N 1 2 304.437 0.919 10 0 DCAELO CCc1ccc(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCO2)s1 ZINC000074773651 191358394 /nfs/dbraw/zinc/35/83/94/191358394.db2.gz QUQTYTXHSUOQCY-JTQLQIEISA-N 1 2 304.437 0.919 10 0 DCAELO C[C@](O)(CNC(=O)c1cc(F)ccc1F)C[NH+]1CCOCC1 ZINC000080894308 192199068 /nfs/dbraw/zinc/19/90/68/192199068.db2.gz LRIOJFFUEFPRKX-HNNXBMFYSA-N 1 2 314.332 0.778 10 0 DCAELO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)c2cnn(CC)c2)CC1 ZINC000179399961 199029679 /nfs/dbraw/zinc/02/96/79/199029679.db2.gz VWZNZQOTRKXEMC-ZDUSSCGKSA-N 1 2 308.382 0.001 10 0 DCAELO Cc1cc(S(=O)(=O)N2CC[N@H+](CCO)[C@H](C)C2)c(C)o1 ZINC000188730321 237376219 /nfs/dbraw/zinc/37/62/19/237376219.db2.gz ZWFMLZVWHGFGFZ-SNVBAGLBSA-N 1 2 302.396 0.584 10 0 DCAELO Cc1cc(S(=O)(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c(C)o1 ZINC000188730321 237376225 /nfs/dbraw/zinc/37/62/25/237376225.db2.gz ZWFMLZVWHGFGFZ-SNVBAGLBSA-N 1 2 302.396 0.584 10 0 DCAELO Cc1ccc(NC(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)nc1 ZINC000275897979 238315349 /nfs/dbraw/zinc/31/53/49/238315349.db2.gz IDVQVJRYRJIGHP-LBPRGKRZSA-N 1 2 321.381 0.040 10 0 DCAELO Cc1ccc(NC(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)nc1 ZINC000275897979 238315352 /nfs/dbraw/zinc/31/53/52/238315352.db2.gz IDVQVJRYRJIGHP-LBPRGKRZSA-N 1 2 321.381 0.040 10 0 DCAELO COC(=O)[C@@H]1CCCC[N@@H+]1[C@H]1CCN(C2CCOCC2)C1=O ZINC000366147019 291328611 /nfs/dbraw/zinc/32/86/11/291328611.db2.gz LLIBURWPCNNNAH-KBPBESRZSA-N 1 2 310.394 0.794 10 0 DCAELO COC(=O)[C@@H]1CCCC[N@H+]1[C@H]1CCN(C2CCOCC2)C1=O ZINC000366147019 291328614 /nfs/dbraw/zinc/32/86/14/291328614.db2.gz LLIBURWPCNNNAH-KBPBESRZSA-N 1 2 310.394 0.794 10 0 DCAELO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1C[C@@H](O)COC[C@@H]1CCCO1 ZINC000567025945 291333372 /nfs/dbraw/zinc/33/33/72/291333372.db2.gz MABUTNBJHJSBRD-OKABZXITSA-N 1 2 305.440 0.384 10 0 DCAELO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1C[C@@H](O)COC[C@@H]1CCCO1 ZINC000567025945 291333375 /nfs/dbraw/zinc/33/33/75/291333375.db2.gz MABUTNBJHJSBRD-OKABZXITSA-N 1 2 305.440 0.384 10 0 DCAELO Cc1ccc(O)c(C[NH+]2CCN(C(=O)C(=O)NC3CC3)CC2)n1 ZINC000091930013 193128186 /nfs/dbraw/zinc/12/81/86/193128186.db2.gz SGYAFMVPTUBUFH-UHFFFAOYSA-N 1 2 318.377 0.018 10 0 DCAELO Cc1cc[nH+]cc1N1CCN(C(=O)C2(C(=O)N(C)C)CC2)CC1 ZINC000572070730 291547399 /nfs/dbraw/zinc/54/73/99/291547399.db2.gz NJNVHYGXDDVHCT-UHFFFAOYSA-N 1 2 316.405 0.907 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)NCCc2nc3ccccc3[nH]2)C1 ZINC000104778985 194038138 /nfs/dbraw/zinc/03/81/38/194038138.db2.gz MTRHNJOPOJZZDO-GFCCVEGCSA-N 1 2 317.393 0.735 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)NCCc2nc3ccccc3[nH]2)C1 ZINC000104778985 194038140 /nfs/dbraw/zinc/03/81/40/194038140.db2.gz MTRHNJOPOJZZDO-GFCCVEGCSA-N 1 2 317.393 0.735 10 0 DCAELO Cc1noc(CCNC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)n1 ZINC000105221679 194087050 /nfs/dbraw/zinc/08/70/50/194087050.db2.gz GETDOWFQARKTBF-GHMZBOCLSA-N 1 2 311.386 0.329 10 0 DCAELO Cn1nnc2ccc(-c3nc([C@H]4C[NH+]5CCN4CC5)no3)cc21 ZINC000273866742 211126257 /nfs/dbraw/zinc/12/62/57/211126257.db2.gz CMESSHHDZZBTAP-CYBMUJFWSA-N 1 2 311.349 0.691 10 0 DCAELO Cn1nccc1CNC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000046941790 183574450 /nfs/dbraw/zinc/57/44/50/183574450.db2.gz DOSOFHQVSMEINE-UHFFFAOYSA-N 1 2 314.393 0.843 10 0 DCAELO CC(=O)N1CCN(c2cc(N3CCC[C@@H]3CO)nc[nH+]2)CC1 ZINC000105785260 194125208 /nfs/dbraw/zinc/12/52/08/194125208.db2.gz GIAJZGYWMDBCGA-CYBMUJFWSA-N 1 2 305.382 0.106 10 0 DCAELO CC(=O)N1CCN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000105785260 194125211 /nfs/dbraw/zinc/12/52/11/194125211.db2.gz GIAJZGYWMDBCGA-CYBMUJFWSA-N 1 2 305.382 0.106 10 0 DCAELO CCc1nn(C)c(Cl)c1C[NH+]1CCN(CC(=O)OC)CC1 ZINC000105917889 194168244 /nfs/dbraw/zinc/16/82/44/194168244.db2.gz OJMSLFYSYFCIOV-UHFFFAOYSA-N 1 2 314.817 0.927 10 0 DCAELO Cc1cc(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)cc(Cl)n1 ZINC000122914628 291754785 /nfs/dbraw/zinc/75/47/85/291754785.db2.gz IBPHDVCHCPPZCW-GFCCVEGCSA-N 1 2 313.785 0.466 10 0 DCAELO CC(C)(C)NC(=O)CN1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000060941436 184158616 /nfs/dbraw/zinc/15/86/16/184158616.db2.gz ZZPDHDMAPUMDMK-UHFFFAOYSA-N 1 2 310.442 0.141 10 0 DCAELO CC(=O)NCCNC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000112740076 194516011 /nfs/dbraw/zinc/51/60/11/194516011.db2.gz GNECYLYXHZBFCC-UHFFFAOYSA-N 1 2 307.398 0.747 10 0 DCAELO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)c2cc(Cl)ccn2)CC1 ZINC000119839407 195046657 /nfs/dbraw/zinc/04/66/57/195046657.db2.gz OZMUXTAFFPLWAM-UHFFFAOYSA-N 1 2 324.812 0.971 10 0 DCAELO CN(C)C(=O)C[N@H+]1CCCN(C(=O)c2cc(Cl)ccn2)CC1 ZINC000119839407 195046659 /nfs/dbraw/zinc/04/66/59/195046659.db2.gz OZMUXTAFFPLWAM-UHFFFAOYSA-N 1 2 324.812 0.971 10 0 DCAELO Cn1cc[nH+]c1[C@@H]1CN(C(=O)Nc2cnns2)CCN1C ZINC000277294950 130598661 /nfs/dbraw/zinc/59/86/61/130598661.db2.gz SVHNVIZQUUGPLI-VIFPVBQESA-N 1 2 307.383 0.792 10 0 DCAELO C[C@H](Cn1cccn1)NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000284043095 131043288 /nfs/dbraw/zinc/04/32/88/131043288.db2.gz OXOZASYNSIZPKG-RDBSUJKOSA-N 1 2 307.398 0.386 10 0 DCAELO C[C@H](Cn1cccn1)NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000284043095 131043290 /nfs/dbraw/zinc/04/32/90/131043290.db2.gz OXOZASYNSIZPKG-RDBSUJKOSA-N 1 2 307.398 0.386 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3ccc4c(c3)OCO4)C[C@H]21 ZINC000284091687 131048447 /nfs/dbraw/zinc/04/84/47/131048447.db2.gz NAVILKNXNUVLRG-KGLIPLIRSA-N 1 2 318.373 0.889 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)Cc3ccc4c(c3)OCO4)C[C@H]21 ZINC000284091687 131048448 /nfs/dbraw/zinc/04/84/48/131048448.db2.gz NAVILKNXNUVLRG-KGLIPLIRSA-N 1 2 318.373 0.889 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccc(C(N)=O)c3)C[C@H]21 ZINC000284545814 131091600 /nfs/dbraw/zinc/09/16/00/131091600.db2.gz DHWYSBWACKZOHB-ZIAGYGMSSA-N 1 2 303.362 0.331 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccc(C(N)=O)c3)C[C@H]21 ZINC000284545814 131091602 /nfs/dbraw/zinc/09/16/02/131091602.db2.gz DHWYSBWACKZOHB-ZIAGYGMSSA-N 1 2 303.362 0.331 10 0 DCAELO C[C@@H](C[NH+]1CCN(Cc2ccncc2)CC1)CS(C)(=O)=O ZINC000119755758 132135213 /nfs/dbraw/zinc/13/52/13/132135213.db2.gz QUNRYRHDRUISTC-AWEZNQCLSA-N 1 2 311.451 0.880 10 0 DCAELO COC(=O)Cn1ncc2c1nc[nH+]c2N1CC[C@@H](C)[C@@H](O)C1 ZINC000092977459 395735102 /nfs/dbraw/zinc/73/51/02/395735102.db2.gz LBGSIZVCHPICEG-KOLCDFICSA-N 1 2 305.338 0.206 10 0 DCAELO Cn1c[nH+]c2c1CCN(CC(=O)N1CCO[C@H]3CCCC[C@H]31)C2 ZINC000106667453 395783252 /nfs/dbraw/zinc/78/32/52/395783252.db2.gz UPIJYPJXNRRKOL-CVEARBPZSA-N 1 2 318.421 0.948 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)C2CCCC2)C1 ZINC000106758918 395783505 /nfs/dbraw/zinc/78/35/05/395783505.db2.gz YOUPUFNJEDBTBL-GJZGRUSLSA-N 1 2 323.437 0.614 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)C2CCCC2)C1 ZINC000106758918 395783509 /nfs/dbraw/zinc/78/35/09/395783509.db2.gz YOUPUFNJEDBTBL-GJZGRUSLSA-N 1 2 323.437 0.614 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(-n3ccnc3)nc2)C1 ZINC000194723746 395805250 /nfs/dbraw/zinc/80/52/50/395805250.db2.gz SBHSPGBOGBJPKI-ZDUSSCGKSA-N 1 2 301.350 0.328 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(-n3ccnc3)nc2)C1 ZINC000194723746 395805252 /nfs/dbraw/zinc/80/52/52/395805252.db2.gz SBHSPGBOGBJPKI-ZDUSSCGKSA-N 1 2 301.350 0.328 10 0 DCAELO NC(=O)c1ccc(C(=O)NCc2cccnc2-n2cc[nH+]c2)cn1 ZINC000194797665 395808377 /nfs/dbraw/zinc/80/83/77/395808377.db2.gz QYPZGWPXZHZIIN-UHFFFAOYSA-N 1 2 322.328 0.691 10 0 DCAELO O=C(NCCCNc1cccc[nH+]1)N[C@H]1CCc2ncnn2C1 ZINC000112743871 395824124 /nfs/dbraw/zinc/82/41/24/395824124.db2.gz UEZFZNTYDLZEEI-LBPRGKRZSA-N 1 2 315.381 0.789 10 0 DCAELO Cc1c([C@@H](C)NC(=O)NC[C@H](C)[NH+]2CCOCC2)cnn1C ZINC000049130616 395828824 /nfs/dbraw/zinc/82/88/24/395828824.db2.gz IKLNYHSTVBBWJI-NWDGAFQWSA-N 1 2 309.414 0.809 10 0 DCAELO COC(=O)[C@@H]1CCN(C(=O)OC)[C@H](C[NH+]2CCOCC2)C1 ZINC000115751782 395841357 /nfs/dbraw/zinc/84/13/57/395841357.db2.gz XZORBTZSAQESOC-NEPJUHHUSA-N 1 2 300.355 0.339 10 0 DCAELO COCC[N@@H+]1CCN(C(=O)C(=O)Nc2ccccc2F)C[C@H]1C ZINC000117522799 395853360 /nfs/dbraw/zinc/85/33/60/395853360.db2.gz UQGAGBLFHPSFQY-GFCCVEGCSA-N 1 2 323.368 0.943 10 0 DCAELO COCC[N@H+]1CCN(C(=O)C(=O)Nc2ccccc2F)C[C@H]1C ZINC000117522799 395853362 /nfs/dbraw/zinc/85/33/62/395853362.db2.gz UQGAGBLFHPSFQY-GFCCVEGCSA-N 1 2 323.368 0.943 10 0 DCAELO CC(C)N(C)C(=O)CN1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000054867988 395907699 /nfs/dbraw/zinc/90/76/99/395907699.db2.gz AZNPWJBCCRMRDS-ZDUSSCGKSA-N 1 2 310.442 0.138 10 0 DCAELO CC(C)N(C)C(=O)C[NH+]1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000054867988 395907702 /nfs/dbraw/zinc/90/77/02/395907702.db2.gz AZNPWJBCCRMRDS-ZDUSSCGKSA-N 1 2 310.442 0.138 10 0 DCAELO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)CN2CSCC2=O)C1 ZINC000119808938 395876323 /nfs/dbraw/zinc/87/63/23/395876323.db2.gz VIMLYTIQSCPAPW-LBPRGKRZSA-N 1 2 322.434 0.734 10 0 DCAELO CC(=O)N1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](C)C1 ZINC000272357825 395886344 /nfs/dbraw/zinc/88/63/44/395886344.db2.gz RQRRFCAVRKUIAG-GFCCVEGCSA-N 1 2 313.361 0.960 10 0 DCAELO C[C@@H]1CN(Cc2ccc(C(=O)N(C)C)[nH]2)C[C@H]1[NH+]1CCOCC1 ZINC000245692151 395934153 /nfs/dbraw/zinc/93/41/53/395934153.db2.gz BQKQYJCIGBSXFC-CZUORRHYSA-N 1 2 320.437 0.869 10 0 DCAELO CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@](O)(C(N)=O)C2)cc1 ZINC000276456166 395998896 /nfs/dbraw/zinc/99/88/96/395998896.db2.gz NUHQUORKTORYEJ-MGPLVRAMSA-N 1 2 319.361 0.138 10 0 DCAELO CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@](O)(C(N)=O)C2)cc1 ZINC000276456166 395998897 /nfs/dbraw/zinc/99/88/97/395998897.db2.gz NUHQUORKTORYEJ-MGPLVRAMSA-N 1 2 319.361 0.138 10 0 DCAELO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@](O)(C(N)=O)C2)cc1 ZINC000276456159 395999171 /nfs/dbraw/zinc/99/91/71/395999171.db2.gz NUHQUORKTORYEJ-HWPZZCPQSA-N 1 2 319.361 0.138 10 0 DCAELO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@](O)(C(N)=O)C2)cc1 ZINC000276456159 395999175 /nfs/dbraw/zinc/99/91/75/395999175.db2.gz NUHQUORKTORYEJ-HWPZZCPQSA-N 1 2 319.361 0.138 10 0 DCAELO C[C@H]1CN(CC(=O)Nc2nccs2)C[C@H]1[NH+]1CCOCC1 ZINC000246294534 395946211 /nfs/dbraw/zinc/94/62/11/395946211.db2.gz BGGHOOKJOCWDHZ-NWDGAFQWSA-N 1 2 310.423 0.734 10 0 DCAELO C[C@H]1C[N@H+](CC(=O)Nc2nccs2)C[C@H]1N1CCOCC1 ZINC000246294534 395946214 /nfs/dbraw/zinc/94/62/14/395946214.db2.gz BGGHOOKJOCWDHZ-NWDGAFQWSA-N 1 2 310.423 0.734 10 0 DCAELO C[C@H]1C[N@@H+](CC(=O)Nc2nccs2)C[C@H]1N1CCOCC1 ZINC000246294534 395946218 /nfs/dbraw/zinc/94/62/18/395946218.db2.gz BGGHOOKJOCWDHZ-NWDGAFQWSA-N 1 2 310.423 0.734 10 0 DCAELO C[N@@H+]1CCO[C@@H](CN[C@@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000246537404 395951926 /nfs/dbraw/zinc/95/19/26/395951926.db2.gz HLPJAGLFVTTZPK-JKSUJKDBSA-N 1 2 303.406 0.927 10 0 DCAELO C[N@H+]1CCO[C@@H](CN[C@@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000246537404 395951929 /nfs/dbraw/zinc/95/19/29/395951929.db2.gz HLPJAGLFVTTZPK-JKSUJKDBSA-N 1 2 303.406 0.927 10 0 DCAELO C[C@H]1CN(CC(=O)Nc2nncs2)C[C@H]1[NH+]1CCOCC1 ZINC000246625186 395954496 /nfs/dbraw/zinc/95/44/96/395954496.db2.gz ZAWKMDDCTZHXEI-WDEREUQCSA-N 1 2 311.411 0.129 10 0 DCAELO CCc1nsc(N2CCC[N@@H+]([C@H]3CC(=O)N(C)C3=O)CC2)n1 ZINC000246638112 395954844 /nfs/dbraw/zinc/95/48/44/395954844.db2.gz BUSFLHVDRVWSLB-JTQLQIEISA-N 1 2 323.422 0.370 10 0 DCAELO CCc1nsc(N2CCC[N@H+]([C@H]3CC(=O)N(C)C3=O)CC2)n1 ZINC000246638112 395954845 /nfs/dbraw/zinc/95/48/45/395954845.db2.gz BUSFLHVDRVWSLB-JTQLQIEISA-N 1 2 323.422 0.370 10 0 DCAELO C[C@H](C[C@H](O)c1ccco1)NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000153283209 396023104 /nfs/dbraw/zinc/02/31/04/396023104.db2.gz GQDBZTHVBCDNSH-UPJWGTAASA-N 1 2 311.382 0.721 10 0 DCAELO C[C@H](C[C@H](O)c1ccco1)NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000153283209 396023107 /nfs/dbraw/zinc/02/31/07/396023107.db2.gz GQDBZTHVBCDNSH-UPJWGTAASA-N 1 2 311.382 0.721 10 0 DCAELO C[C@H](NC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1)[C@H]1CCOC1 ZINC000276844098 396031980 /nfs/dbraw/zinc/03/19/80/396031980.db2.gz YZQOEJYBQFLUIR-IHRRRGAJSA-N 1 2 321.425 0.843 10 0 DCAELO Cc1ccc(C)c(OCC(=O)NC[C@H](O)C[NH+]2CCOCC2)c1 ZINC000154125341 396032237 /nfs/dbraw/zinc/03/22/37/396032237.db2.gz QLICWMHVYGPNQD-HNNXBMFYSA-N 1 2 322.405 0.492 10 0 DCAELO COc1ccc(CCC(=O)NC[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000154134226 396032465 /nfs/dbraw/zinc/03/24/65/396032465.db2.gz OHWLYDBZMXWNCE-HNNXBMFYSA-N 1 2 322.405 0.437 10 0 DCAELO Cc1n[nH]cc1S(=O)(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261615110 396049518 /nfs/dbraw/zinc/04/95/18/396049518.db2.gz COEVDNMVFGHODO-LBPRGKRZSA-N 1 2 307.379 0.448 10 0 DCAELO CC(=O)N1CCOC[C@@H]1C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000155777906 396057263 /nfs/dbraw/zinc/05/72/63/396057263.db2.gz BIBZNILYENSADR-CQSZACIVSA-N 1 2 316.361 0.506 10 0 DCAELO C[NH+](C)C[C@H]1CN(C(=O)c2cccc(-c3nnc[nH]3)c2)CCO1 ZINC000152979247 396018528 /nfs/dbraw/zinc/01/85/28/396018528.db2.gz DVGWZBOKXVKICA-AWEZNQCLSA-N 1 2 315.377 0.874 10 0 DCAELO O=S(=O)(CC[N@@H+]1CC[C@H](N2CCOCC2)C1)c1ccccc1 ZINC000173934389 396137204 /nfs/dbraw/zinc/13/72/04/396137204.db2.gz MATIIGDKXPEDFW-HNNXBMFYSA-N 1 2 324.446 0.867 10 0 DCAELO O=S(=O)(CC[N@H+]1CC[C@H](N2CCOCC2)C1)c1ccccc1 ZINC000173934389 396137206 /nfs/dbraw/zinc/13/72/06/396137206.db2.gz MATIIGDKXPEDFW-HNNXBMFYSA-N 1 2 324.446 0.867 10 0 DCAELO Cc1nc(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c(C)s1 ZINC000178886615 396212850 /nfs/dbraw/zinc/21/28/50/396212850.db2.gz NKAYVTZHMLZNMY-GFCCVEGCSA-N 1 2 313.423 0.525 10 0 DCAELO O=C(NCCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)c1ccccc1F ZINC000262733999 396177119 /nfs/dbraw/zinc/17/71/19/396177119.db2.gz BXDHGNQJTATIHJ-NSHDSACASA-N 1 2 315.295 0.669 10 0 DCAELO O=C1NCC[C@H]1[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC000178204862 396191284 /nfs/dbraw/zinc/19/12/84/396191284.db2.gz QVTTXILSAQTJEF-LLVKDONJSA-N 1 2 303.391 0.702 10 0 DCAELO O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCN(Cc2ccncc2)CC1 ZINC000262972063 396195649 /nfs/dbraw/zinc/19/56/49/396195649.db2.gz LXJRTKTVVJIAAG-CYBMUJFWSA-N 1 2 310.348 0.723 10 0 DCAELO O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCN(Cc2ccccn2)CC1 ZINC000263013435 396197566 /nfs/dbraw/zinc/19/75/66/396197566.db2.gz QAIMYVLQJWLCQX-CYBMUJFWSA-N 1 2 310.348 0.723 10 0 DCAELO COC(=O)Cn1ncc2c1nc[nH+]c2NC[C@H]1CCC[C@@H]1O ZINC000078497786 396246870 /nfs/dbraw/zinc/24/68/70/396246870.db2.gz RJOLQVYISIWDQE-KOLCDFICSA-N 1 2 305.338 0.572 10 0 DCAELO CNC(=O)c1ccc(N2CCN(C3=[NH+]C[C@H](C)S3)CC2)nn1 ZINC000080605903 396283190 /nfs/dbraw/zinc/28/31/90/396283190.db2.gz KBXJTJAEQFVRIF-JTQLQIEISA-N 1 2 320.422 0.450 10 0 DCAELO CC(C)[C@@H](NC[C@@H](O)C[NH+]1CCOCC1)c1nc(C2CC2)no1 ZINC000179813841 396230165 /nfs/dbraw/zinc/23/01/65/396230165.db2.gz DUUIIVDFJPSUFR-ZIAGYGMSSA-N 1 2 324.425 0.927 10 0 DCAELO CN(C)c1[nH+]cccc1CNC(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000184399069 396294471 /nfs/dbraw/zinc/29/44/71/396294471.db2.gz MXIZJZSQTADGHQ-INIZCTEOSA-N 1 2 320.393 0.849 10 0 DCAELO C[C@@H](c1nnnn1C)[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000188995800 396389878 /nfs/dbraw/zinc/38/98/78/396389878.db2.gz VVKAFDJVFKSGAX-NSHDSACASA-N 1 2 305.386 0.340 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(CO)c(F)c3)C[C@H]21 ZINC000286405533 396393006 /nfs/dbraw/zinc/39/30/06/396393006.db2.gz OATLFUKHLJFDGS-HUUCEWRRSA-N 1 2 308.353 0.863 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(CO)c(F)c3)C[C@H]21 ZINC000286405533 396393009 /nfs/dbraw/zinc/39/30/09/396393009.db2.gz OATLFUKHLJFDGS-HUUCEWRRSA-N 1 2 308.353 0.863 10 0 DCAELO COCCn1ccc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)n1 ZINC000189924927 396401072 /nfs/dbraw/zinc/40/10/72/396401072.db2.gz OBZHHDOGPWMMPU-ZDUSSCGKSA-N 1 2 308.382 0.076 10 0 DCAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1n[nH]c2c1CCCCC2 ZINC000190101421 396402354 /nfs/dbraw/zinc/40/23/54/396402354.db2.gz RIOLFZUZFOFDFA-LBPRGKRZSA-N 1 2 322.409 0.102 10 0 DCAELO CCn1cc([C@@H]2CN(C(=O)NCCn3cc[nH+]c3)CCO2)cn1 ZINC000190492886 396407128 /nfs/dbraw/zinc/40/71/28/396407128.db2.gz DQQMSYADLPALKB-AWEZNQCLSA-N 1 2 318.381 0.883 10 0 DCAELO CCn1cc([C@@H]2C[N@H+](CCCN3CCOCC3)CCO2)cn1 ZINC000190791858 396411974 /nfs/dbraw/zinc/41/19/74/396411974.db2.gz FKWLAWCRRVKNOE-INIZCTEOSA-N 1 2 308.426 0.999 10 0 DCAELO CCn1cc([C@@H]2C[N@@H+](CCCN3CCOCC3)CCO2)cn1 ZINC000190791858 396411976 /nfs/dbraw/zinc/41/19/76/396411976.db2.gz FKWLAWCRRVKNOE-INIZCTEOSA-N 1 2 308.426 0.999 10 0 DCAELO COc1ccccc1CCNC(=O)C[N@@H+]1CCCN(C)C(=O)C1 ZINC000191064264 396414698 /nfs/dbraw/zinc/41/46/98/396414698.db2.gz FMNGNCQQPBQQFG-UHFFFAOYSA-N 1 2 319.405 0.518 10 0 DCAELO COc1ccccc1CCNC(=O)C[N@H+]1CCCN(C)C(=O)C1 ZINC000191064264 396414700 /nfs/dbraw/zinc/41/47/00/396414700.db2.gz FMNGNCQQPBQQFG-UHFFFAOYSA-N 1 2 319.405 0.518 10 0 DCAELO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1cc(=O)n2nccc2[nH]1 ZINC000191169593 396416943 /nfs/dbraw/zinc/41/69/43/396416943.db2.gz XEFKMUJXNGTTDI-HCKVZZMMSA-N 1 2 316.361 0.796 10 0 DCAELO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1cc(=O)n2nccc2[nH]1 ZINC000191169593 396416944 /nfs/dbraw/zinc/41/69/44/396416944.db2.gz XEFKMUJXNGTTDI-HCKVZZMMSA-N 1 2 316.361 0.796 10 0 DCAELO CC(=O)NCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000192476261 396431370 /nfs/dbraw/zinc/43/13/70/396431370.db2.gz YHKWFAUUQVPICB-VXGBXAGGSA-N 1 2 320.393 0.448 10 0 DCAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1cc(-c2ccco2)on1 ZINC000192707610 396436093 /nfs/dbraw/zinc/43/60/93/396436093.db2.gz GWUIYKAOVCLDDS-LLVKDONJSA-N 1 2 321.333 0.358 10 0 DCAELO COCC[NH+]1CCN(S(=O)(=O)N2CCC[C@@H](C)C2)CC1 ZINC000192855275 396438719 /nfs/dbraw/zinc/43/87/19/396438719.db2.gz QSEHXRIJXDGXTD-CYBMUJFWSA-N 1 2 305.444 0.227 10 0 DCAELO CNC(=O)NCC(=O)N1CCC[C@@H]1c1[nH+]c2c(n1C)CCCC2 ZINC000286166907 396378728 /nfs/dbraw/zinc/37/87/28/396378728.db2.gz OKXIRCJEYKWWNS-CYBMUJFWSA-N 1 2 319.409 0.891 10 0 DCAELO CN(Cc1ccccc1F)C(=O)C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000371817332 396477599 /nfs/dbraw/zinc/47/75/99/396477599.db2.gz VSPHWAGSQUXNNU-OAHLLOKOSA-N 1 2 321.396 0.801 10 0 DCAELO CN(Cc1ccccc1F)C(=O)C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000371817332 396477600 /nfs/dbraw/zinc/47/76/00/396477600.db2.gz VSPHWAGSQUXNNU-OAHLLOKOSA-N 1 2 321.396 0.801 10 0 DCAELO Cn1cc(OCC(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000580098105 396488214 /nfs/dbraw/zinc/48/82/14/396488214.db2.gz LBBYKNVIWYFUCE-UHFFFAOYSA-N 1 2 301.350 0.543 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H]1CC(=O)N(C)C1)C2 ZINC000372465882 396519649 /nfs/dbraw/zinc/51/96/49/396519649.db2.gz SKAYIPNLZGJGBY-QWRGUYRKSA-N 1 2 304.394 0.985 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H]1CC(=O)N(C)C1)CC2 ZINC000372465882 396519651 /nfs/dbraw/zinc/51/96/51/396519651.db2.gz SKAYIPNLZGJGBY-QWRGUYRKSA-N 1 2 304.394 0.985 10 0 DCAELO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(-n2cncn2)cc1 ZINC000372646775 396533926 /nfs/dbraw/zinc/53/39/26/396533926.db2.gz CSVUFOUCRPAPCO-CABCVRRESA-N 1 2 316.361 0.766 10 0 DCAELO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1Cc1ccc(-n2cncn2)cc1 ZINC000372646775 396533930 /nfs/dbraw/zinc/53/39/30/396533930.db2.gz CSVUFOUCRPAPCO-CABCVRRESA-N 1 2 316.361 0.766 10 0 DCAELO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(c3n[nH]c(=O)o3)CC2)O1 ZINC000527550682 396540203 /nfs/dbraw/zinc/54/02/03/396540203.db2.gz ADIXQGMEOCHVNX-MWLCHTKSSA-N 1 2 310.354 0.200 10 0 DCAELO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(c3n[nH]c(=O)o3)CC2)O1 ZINC000527550682 396540204 /nfs/dbraw/zinc/54/02/04/396540204.db2.gz ADIXQGMEOCHVNX-MWLCHTKSSA-N 1 2 310.354 0.200 10 0 DCAELO CN(C[C@@H]1CCC[C@H]1O)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000561016956 396628185 /nfs/dbraw/zinc/62/81/85/396628185.db2.gz ZIDCVVGIPNESDZ-WCQYABFASA-N 1 2 316.361 0.892 10 0 DCAELO CC(=O)N1CCN(C(=O)[C@H](C)N2CCn3cc(C)[nH+]c3C2)CC1 ZINC000374646432 396678452 /nfs/dbraw/zinc/67/84/52/396678452.db2.gz LEJYINMATUQDLT-ZDUSSCGKSA-N 1 2 319.409 0.086 10 0 DCAELO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC000375461169 396750575 /nfs/dbraw/zinc/75/05/75/396750575.db2.gz RJBQBSOENUZAHD-GFCCVEGCSA-N 1 2 321.425 0.479 10 0 DCAELO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC000375461169 396750583 /nfs/dbraw/zinc/75/05/83/396750583.db2.gz RJBQBSOENUZAHD-GFCCVEGCSA-N 1 2 321.425 0.479 10 0 DCAELO NC(=O)C[N@@H+]1CC[C@H]2[C@@H](C1)C2(Br)Br ZINC000306184470 396753909 /nfs/dbraw/zinc/75/39/09/396753909.db2.gz PRSONPDELFMZJV-NTSWFWBYSA-N 1 2 312.005 0.910 10 0 DCAELO NC(=O)C[N@H+]1CC[C@H]2[C@@H](C1)C2(Br)Br ZINC000306184470 396753915 /nfs/dbraw/zinc/75/39/15/396753915.db2.gz PRSONPDELFMZJV-NTSWFWBYSA-N 1 2 312.005 0.910 10 0 DCAELO C[C@@H](c1nnnn1C1CCCCC1)[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000375479034 396754834 /nfs/dbraw/zinc/75/48/34/396754834.db2.gz WWHFKRWBXLFNLX-NHYWBVRUSA-N 1 2 322.413 0.552 10 0 DCAELO C[C@@H](c1nnnn1C1CCCCC1)[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000375479034 396754840 /nfs/dbraw/zinc/75/48/40/396754840.db2.gz WWHFKRWBXLFNLX-NHYWBVRUSA-N 1 2 322.413 0.552 10 0 DCAELO CCN1CCN(C(=O)[C@@H](C)n2cncn2)C[C@@H]1c1[nH+]ccn1C ZINC000328626774 396825495 /nfs/dbraw/zinc/82/54/95/396825495.db2.gz MCETYMWCIQMUCS-CHWSQXEVSA-N 1 2 317.397 0.478 10 0 DCAELO CN(C[C@@H]1CCn2cc[nH+]c2C1)C(=O)CN1CSCC1=O ZINC000328635183 396826448 /nfs/dbraw/zinc/82/64/48/396826448.db2.gz UQPMPAMUFGAQPB-LLVKDONJSA-N 1 2 308.407 0.437 10 0 DCAELO O=C(C[N@@H+]1C[C@@H]2COC[C@H](C1)O2)N1CCO[C@@H]2CCCC[C@H]21 ZINC000328701320 396830436 /nfs/dbraw/zinc/83/04/36/396830436.db2.gz WOUKFAMTUHSNBN-LXTVHRRPSA-N 1 2 310.394 0.256 10 0 DCAELO O=C(C[N@H+]1C[C@@H]2COC[C@H](C1)O2)N1CCO[C@@H]2CCCC[C@H]21 ZINC000328701320 396830440 /nfs/dbraw/zinc/83/04/40/396830440.db2.gz WOUKFAMTUHSNBN-LXTVHRRPSA-N 1 2 310.394 0.256 10 0 DCAELO COC(=O)C[C@@H]1COCC[N@@H+]1CCNC(=O)OC(C)(C)C ZINC000376533454 396942388 /nfs/dbraw/zinc/94/23/88/396942388.db2.gz RMDPIDVLJWWFFU-LLVKDONJSA-N 1 2 302.371 0.775 10 0 DCAELO COC(=O)C[C@@H]1COCC[N@H+]1CCNC(=O)OC(C)(C)C ZINC000376533454 396942393 /nfs/dbraw/zinc/94/23/93/396942393.db2.gz RMDPIDVLJWWFFU-LLVKDONJSA-N 1 2 302.371 0.775 10 0 DCAELO CCOC1CC(C(=O)N2CC[NH+]([C@@H]3CCCCNC3=O)CC2)C1 ZINC000376681930 396962051 /nfs/dbraw/zinc/96/20/51/396962051.db2.gz SLRAJVFYTIEVMT-YMAMQOFZSA-N 1 2 323.437 0.614 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCN(C)C(=O)C1)C2 ZINC000377297697 397063312 /nfs/dbraw/zinc/06/33/12/397063312.db2.gz KVQCXQQZMSMAQP-NSHDSACASA-N 1 2 304.394 0.939 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCN(C)C(=O)C1)CC2 ZINC000377297697 397063313 /nfs/dbraw/zinc/06/33/13/397063313.db2.gz KVQCXQQZMSMAQP-NSHDSACASA-N 1 2 304.394 0.939 10 0 DCAELO CCOC(=O)c1csc(C[N@@H+]2C[C@@H](OC)C[C@H]2CO)n1 ZINC000381085127 397270515 /nfs/dbraw/zinc/27/05/15/397270515.db2.gz VTVQMWMIHDWJQM-UWVGGRQHSA-N 1 2 300.380 0.901 10 0 DCAELO CCOC(=O)c1csc(C[N@H+]2C[C@@H](OC)C[C@H]2CO)n1 ZINC000381085127 397270518 /nfs/dbraw/zinc/27/05/18/397270518.db2.gz VTVQMWMIHDWJQM-UWVGGRQHSA-N 1 2 300.380 0.901 10 0 DCAELO C[C@H](C[N@@H+]1C[C@@H](C)OC2(CCOCC2)C1)CS(C)(=O)=O ZINC000366076147 397337463 /nfs/dbraw/zinc/33/74/63/397337463.db2.gz XUNZTECICQYMFI-CHWSQXEVSA-N 1 2 305.440 0.937 10 0 DCAELO C[C@H](C[N@H+]1C[C@@H](C)OC2(CCOCC2)C1)CS(C)(=O)=O ZINC000366076147 397337466 /nfs/dbraw/zinc/33/74/66/397337466.db2.gz XUNZTECICQYMFI-CHWSQXEVSA-N 1 2 305.440 0.937 10 0 DCAELO O=C(NC1CCS(=O)CC1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000408154673 397348181 /nfs/dbraw/zinc/34/81/81/397348181.db2.gz MISCGNNKUPZYCF-CURUXHCOSA-N 1 2 314.451 0.657 10 0 DCAELO O=C(NC1CCS(=O)CC1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000408154673 397348185 /nfs/dbraw/zinc/34/81/85/397348185.db2.gz MISCGNNKUPZYCF-CURUXHCOSA-N 1 2 314.451 0.657 10 0 DCAELO CO[C@@H]1C[N@H+](Cc2nnnn2C(C)(C)C)C[C@H]1c1c[nH]nn1 ZINC000621316818 397372342 /nfs/dbraw/zinc/37/23/42/397372342.db2.gz CGIYDHXXPDWYRF-GXSJLCMTSA-N 1 2 306.374 0.161 10 0 DCAELO CO[C@@H]1C[N@@H+](Cc2nnnn2C(C)(C)C)C[C@H]1c1c[nH]nn1 ZINC000621316818 397372348 /nfs/dbraw/zinc/37/23/48/397372348.db2.gz CGIYDHXXPDWYRF-GXSJLCMTSA-N 1 2 306.374 0.161 10 0 DCAELO COc1ccc(OC)c(C[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)c1 ZINC000370322791 397470100 /nfs/dbraw/zinc/47/01/00/397470100.db2.gz DTKFTPWUTBRCIW-ZDUSSCGKSA-N 1 2 314.407 0.957 10 0 DCAELO COc1ccc(OC)c(C[N@H+]2CCC[C@H](S(N)(=O)=O)C2)c1 ZINC000370322791 397470103 /nfs/dbraw/zinc/47/01/03/397470103.db2.gz DTKFTPWUTBRCIW-ZDUSSCGKSA-N 1 2 314.407 0.957 10 0 DCAELO COc1ccc(O)c(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)c1 ZINC000284604874 286337870 /nfs/dbraw/zinc/33/78/70/286337870.db2.gz SYMQKEOBZKBEDS-HIFRSBDPSA-N 1 2 306.362 0.946 10 0 DCAELO COc1ccc(O)c(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)c1 ZINC000284604874 286337872 /nfs/dbraw/zinc/33/78/72/286337872.db2.gz SYMQKEOBZKBEDS-HIFRSBDPSA-N 1 2 306.362 0.946 10 0 DCAELO CC(C)(C)NC(=O)C[N@@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000050508937 158011693 /nfs/dbraw/zinc/01/16/93/158011693.db2.gz OSVMLJPSGVKLPB-UHFFFAOYSA-N 1 2 324.469 0.531 10 0 DCAELO CC(C)(C)NC(=O)C[N@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000050508937 158011694 /nfs/dbraw/zinc/01/16/94/158011694.db2.gz OSVMLJPSGVKLPB-UHFFFAOYSA-N 1 2 324.469 0.531 10 0 DCAELO C[C@H](CNC(=O)[C@H](C)OC[C@@H]1CCCO1)[NH+]1CCOCC1 ZINC000068856197 158043479 /nfs/dbraw/zinc/04/34/79/158043479.db2.gz GNJHMXJNVZCIGA-RDBSUJKOSA-N 1 2 300.399 0.407 10 0 DCAELO CCS(=O)(=O)CC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000119597388 158188804 /nfs/dbraw/zinc/18/88/04/158188804.db2.gz SJTGGDMGIZGNCO-GFCCVEGCSA-N 1 2 313.423 0.636 10 0 DCAELO Cc1ccc2c([n-]cc(C(=O)NC[C@](C)(O)C[NH+](C)C)c2=O)[nH+]1 ZINC000123809106 158234373 /nfs/dbraw/zinc/23/43/73/158234373.db2.gz ICTDEMXPODJGIV-INIZCTEOSA-N 1 2 318.377 0.686 10 0 DCAELO Cc1ccc2c(n1)[nH]cc(C(=O)NC[C@](C)(O)C[NH+](C)C)c2=O ZINC000123809106 158234374 /nfs/dbraw/zinc/23/43/74/158234374.db2.gz ICTDEMXPODJGIV-INIZCTEOSA-N 1 2 318.377 0.686 10 0 DCAELO C[C@@](O)(CNC(=O)c1ccc(F)cc1O)C[NH+]1CCOCC1 ZINC000124013067 158236399 /nfs/dbraw/zinc/23/63/99/158236399.db2.gz ZREMFMRUOCCBLA-OAHLLOKOSA-N 1 2 312.341 0.344 10 0 DCAELO C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C(=O)N1CCCCC1 ZINC000132262969 158309401 /nfs/dbraw/zinc/30/94/01/158309401.db2.gz JDOSNZGORMNEQS-STQMWFEESA-N 1 2 304.394 0.963 10 0 DCAELO C[C@H](O)C[C@H]1COCCN1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000134703624 158329352 /nfs/dbraw/zinc/32/93/52/158329352.db2.gz UBGVQUQQXDCQDA-JSGCOSHPSA-N 1 2 322.409 0.829 10 0 DCAELO Nc1c(NC[C@H]2C[N@@H+](C3CC3)CCO2)ncnc1-n1cccn1 ZINC000163103706 158362071 /nfs/dbraw/zinc/36/20/71/158362071.db2.gz HBFKQIZYCLAVJI-LBPRGKRZSA-N 1 2 315.381 0.520 10 0 DCAELO Nc1c(NC[C@H]2C[N@H+](C3CC3)CCO2)ncnc1-n1cccn1 ZINC000163103706 158362073 /nfs/dbraw/zinc/36/20/73/158362073.db2.gz HBFKQIZYCLAVJI-LBPRGKRZSA-N 1 2 315.381 0.520 10 0 DCAELO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000171752214 158386782 /nfs/dbraw/zinc/38/67/82/158386782.db2.gz YFIGCSOOGHZRBQ-KCXAZCMYSA-N 1 2 319.405 0.665 10 0 DCAELO CC(C)C(=O)N1CCC[C@H]1C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172756179 158398536 /nfs/dbraw/zinc/39/85/36/158398536.db2.gz WBVYVHUTXGWPCW-GJZGRUSLSA-N 1 2 323.437 0.567 10 0 DCAELO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000172804046 158399683 /nfs/dbraw/zinc/39/96/83/158399683.db2.gz VXUNHZHWXBDHOH-UKRRQHHQSA-N 1 2 322.453 0.269 10 0 DCAELO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCN2CCCC[C@@H]2C1 ZINC000172804046 158399684 /nfs/dbraw/zinc/39/96/84/158399684.db2.gz VXUNHZHWXBDHOH-UKRRQHHQSA-N 1 2 322.453 0.269 10 0 DCAELO C[C@H](O)CC(C)(C)CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173912988 158411825 /nfs/dbraw/zinc/41/18/25/158411825.db2.gz XDLVGLOORGXBPN-UONOGXRCSA-N 1 2 313.442 0.900 10 0 DCAELO CC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+][C@@H](c3cccnc3)C2)C1 ZINC000328659134 159017780 /nfs/dbraw/zinc/01/77/80/159017780.db2.gz SEJCNHJDBNWOCO-HZPDHXFCSA-N 1 2 316.405 0.813 10 0 DCAELO CN(C)c1cnc(C(=O)N2CC[NH2+][C@H](c3cccnc3)C2)cn1 ZINC000328663727 159018743 /nfs/dbraw/zinc/01/87/43/159018743.db2.gz YCWCJCSNHZKYDF-AWEZNQCLSA-N 1 2 312.377 0.724 10 0 DCAELO C[C@H](C(=O)N1CCC[C@@H](Cn2ccnn2)C1)[NH+]1CCOCC1 ZINC000328689145 159021378 /nfs/dbraw/zinc/02/13/78/159021378.db2.gz CXDOIAIGPWQWFE-ZIAGYGMSSA-N 1 2 307.398 0.237 10 0 DCAELO CN(Cc1nc2cccnc2s1)C[C@@H](O)C[NH+]1CCOCC1 ZINC000328852400 159034825 /nfs/dbraw/zinc/03/48/25/159034825.db2.gz BUASNJRFIUGJHF-GFCCVEGCSA-N 1 2 322.434 0.816 10 0 DCAELO Cn1ncc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c1C1CC1 ZINC000328888373 159038251 /nfs/dbraw/zinc/03/82/51/159038251.db2.gz QBLHZNCFDXDYGV-CYBMUJFWSA-N 1 2 304.394 0.844 10 0 DCAELO CC[C@@H]1CN(C(=O)[C@H]2CCc3[nH]nnc3C2)CC[N@@H+]1C[C@H](C)O ZINC000328985050 159049555 /nfs/dbraw/zinc/04/95/55/159049555.db2.gz SZSAJUFCLWWHBW-RWMBFGLXSA-N 1 2 321.425 0.213 10 0 DCAELO CC[C@@H]1CN(C(=O)[C@H]2CCc3[nH]nnc3C2)CC[N@H+]1C[C@H](C)O ZINC000328985050 159049557 /nfs/dbraw/zinc/04/95/57/159049557.db2.gz SZSAJUFCLWWHBW-RWMBFGLXSA-N 1 2 321.425 0.213 10 0 DCAELO CC[C@@H]1CN(C(=O)[C@H]2CCc3nn[nH]c3C2)CC[N@@H+]1C[C@H](C)O ZINC000328985050 159049561 /nfs/dbraw/zinc/04/95/61/159049561.db2.gz SZSAJUFCLWWHBW-RWMBFGLXSA-N 1 2 321.425 0.213 10 0 DCAELO CC[C@@H]1CN(C(=O)[C@H]2CCc3nn[nH]c3C2)CC[N@H+]1C[C@H](C)O ZINC000328985050 159049563 /nfs/dbraw/zinc/04/95/63/159049563.db2.gz SZSAJUFCLWWHBW-RWMBFGLXSA-N 1 2 321.425 0.213 10 0 DCAELO Cc1c(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)nnn1C(C)C ZINC000329165066 159069461 /nfs/dbraw/zinc/06/94/61/159069461.db2.gz HIEPNSFRIUKZDW-QWHCGFSZSA-N 1 2 307.398 0.713 10 0 DCAELO Cc1c(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)nnn1C(C)C ZINC000329165066 159069462 /nfs/dbraw/zinc/06/94/62/159069462.db2.gz HIEPNSFRIUKZDW-QWHCGFSZSA-N 1 2 307.398 0.713 10 0 DCAELO O=C(N1CCC[C@@H](c2nnc[nH]2)C1)C1([NH+]2CCOCC2)CCC1 ZINC000329340397 159083740 /nfs/dbraw/zinc/08/37/40/159083740.db2.gz RPTQJBOMGNEOEY-CYBMUJFWSA-N 1 2 319.409 0.766 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3c[nH]nc3[C@H]3CCOC3)C[C@@H]21 ZINC000329709045 159114202 /nfs/dbraw/zinc/11/42/02/159114202.db2.gz LINJUQMJMKPGGJ-WCFLWFBJSA-N 1 2 306.366 0.069 10 0 DCAELO C[N@H+]1CCO[C@@H]2CN(C(=O)c3c[nH]nc3[C@H]3CCOC3)C[C@@H]21 ZINC000329709045 159114204 /nfs/dbraw/zinc/11/42/04/159114204.db2.gz LINJUQMJMKPGGJ-WCFLWFBJSA-N 1 2 306.366 0.069 10 0 DCAELO CC(=O)N1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000329710114 159114567 /nfs/dbraw/zinc/11/45/67/159114567.db2.gz NMGLDTRHVMOLMH-JKSUJKDBSA-N 1 2 323.437 0.711 10 0 DCAELO CC[C@@H]1CN(C(=O)c2nnn(C)c2C)C[C@@H]1[NH+]1CCOCC1 ZINC000329746657 159116342 /nfs/dbraw/zinc/11/63/42/159116342.db2.gz RYLFPCVQBLGIRA-OLZOCXBDSA-N 1 2 307.398 0.306 10 0 DCAELO CCN1C[C@H](C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)CC1=O ZINC000329750946 159117104 /nfs/dbraw/zinc/11/71/04/159117104.db2.gz VGLNRDJNZMZXJK-MGPQQGTHSA-N 1 2 309.410 0.034 10 0 DCAELO O=S(=O)(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1cncc(F)c1 ZINC000329756673 159117143 /nfs/dbraw/zinc/11/71/43/159117143.db2.gz MJJJOMWSCOAIBF-LBPRGKRZSA-N 1 2 315.370 0.362 10 0 DCAELO O=S(=O)(NC[C@H]1C[N@H+](C2CC2)CCO1)c1cncc(F)c1 ZINC000329756673 159117145 /nfs/dbraw/zinc/11/71/45/159117145.db2.gz MJJJOMWSCOAIBF-LBPRGKRZSA-N 1 2 315.370 0.362 10 0 DCAELO O=C(CSc1nncs1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000329757943 159117364 /nfs/dbraw/zinc/11/73/64/159117364.db2.gz ZSGLHZBFAKCDRT-JTQLQIEISA-N 1 2 314.436 0.563 10 0 DCAELO Cn1cc(C(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c([C@H]2CCOC2)n1 ZINC000329885160 159125888 /nfs/dbraw/zinc/12/58/88/159125888.db2.gz UFBAXVSAZYKDPQ-IACUBPJLSA-N 1 2 320.393 0.079 10 0 DCAELO Cn1cc(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c([C@H]2CCOC2)n1 ZINC000329885160 159125891 /nfs/dbraw/zinc/12/58/91/159125891.db2.gz UFBAXVSAZYKDPQ-IACUBPJLSA-N 1 2 320.393 0.079 10 0 DCAELO CC[C@H]1CN(C(=O)C2(O)CCOCC2)C[C@H]1[NH+]1CCOCC1 ZINC000330001149 159134776 /nfs/dbraw/zinc/13/47/76/159134776.db2.gz AANALLFWCOWSAP-UONOGXRCSA-N 1 2 312.410 0.097 10 0 DCAELO C[N@@H+]1CCO[C@H](CN(CC2CC2)c2cncc3nncn32)C1 ZINC000330157657 159146652 /nfs/dbraw/zinc/14/66/52/159146652.db2.gz ZJEADOQGRXUAKS-ZDUSSCGKSA-N 1 2 302.382 0.671 10 0 DCAELO C[N@H+]1CCO[C@H](CN(CC2CC2)c2cncc3nncn32)C1 ZINC000330157657 159146654 /nfs/dbraw/zinc/14/66/54/159146654.db2.gz ZJEADOQGRXUAKS-ZDUSSCGKSA-N 1 2 302.382 0.671 10 0 DCAELO CC(=O)N1CSC[C@@H]1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000330431131 159172615 /nfs/dbraw/zinc/17/26/15/159172615.db2.gz NEUFLDSKHLBVCB-GFCCVEGCSA-N 1 2 308.407 0.685 10 0 DCAELO CCC(=O)N1CSC[C@H]1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000332774152 159213615 /nfs/dbraw/zinc/21/36/15/159213615.db2.gz KVIZTXXXXDARIE-CABZTGNLSA-N 1 2 308.407 0.695 10 0 DCAELO CCC(=O)N1CSC[C@H]1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000332774152 159213618 /nfs/dbraw/zinc/21/36/18/159213618.db2.gz KVIZTXXXXDARIE-CABZTGNLSA-N 1 2 308.407 0.695 10 0 DCAELO CNC(=O)[C@@H](NC(=O)C[N@@H+]1CCOCC[C@@H]1C)c1ccccc1 ZINC000367668848 159350316 /nfs/dbraw/zinc/35/03/16/159350316.db2.gz YMILCKCXAYFTDJ-BBRMVZONSA-N 1 2 319.405 0.701 10 0 DCAELO CNC(=O)[C@@H](NC(=O)C[N@H+]1CCOCC[C@@H]1C)c1ccccc1 ZINC000367668848 159350318 /nfs/dbraw/zinc/35/03/18/159350318.db2.gz YMILCKCXAYFTDJ-BBRMVZONSA-N 1 2 319.405 0.701 10 0 DCAELO COC(=O)[C@@H]1CCC[C@H](C(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)C1 ZINC000408022175 160013738 /nfs/dbraw/zinc/01/37/38/160013738.db2.gz RQEOFMHXKBDCDF-GBJTYRQASA-N 1 2 324.421 0.897 10 0 DCAELO COC(=O)[C@@H]1CCC[C@H](C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)C1 ZINC000408022175 160013740 /nfs/dbraw/zinc/01/37/40/160013740.db2.gz RQEOFMHXKBDCDF-GBJTYRQASA-N 1 2 324.421 0.897 10 0 DCAELO Cc1ccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)o1 ZINC000408097339 160035058 /nfs/dbraw/zinc/03/50/58/160035058.db2.gz KUSVNNBXIIGLNM-CYBMUJFWSA-N 1 2 314.407 0.931 10 0 DCAELO CC(=O)N1CSC[C@@H]1C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000408099041 160035698 /nfs/dbraw/zinc/03/56/98/160035698.db2.gz JETAUJAYFZJAEM-CQSZACIVSA-N 1 2 323.418 0.845 10 0 DCAELO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC(c2ccnn2C)CC1 ZINC000408104692 160036332 /nfs/dbraw/zinc/03/63/32/160036332.db2.gz QSUUIXRTESKCAI-OAHLLOKOSA-N 1 2 306.410 0.847 10 0 DCAELO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCC(c2ccnn2C)CC1 ZINC000408104692 160036333 /nfs/dbraw/zinc/03/63/33/160036333.db2.gz QSUUIXRTESKCAI-OAHLLOKOSA-N 1 2 306.410 0.847 10 0 DCAELO CS(=O)(=O)N[C@H]1CC[N@H+](CC(=O)NC2CCCCCC2)C1 ZINC000408184769 160055131 /nfs/dbraw/zinc/05/51/31/160055131.db2.gz ZQZRBXKGLRWVSO-ZDUSSCGKSA-N 1 2 317.455 0.449 10 0 DCAELO CS(=O)(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CCCCCC2)C1 ZINC000408184769 160055133 /nfs/dbraw/zinc/05/51/33/160055133.db2.gz ZQZRBXKGLRWVSO-ZDUSSCGKSA-N 1 2 317.455 0.449 10 0 DCAELO C[C@H]1C[N@H+](CCCN2C(=O)NC(C)(C)C2=O)CC[S@@]1=O ZINC000408211077 160060890 /nfs/dbraw/zinc/06/08/90/160060890.db2.gz MOYDSRMRPYOIDP-FVINQWEUSA-N 1 2 301.412 0.160 10 0 DCAELO C[C@H]1C[N@@H+](CCCN2C(=O)NC(C)(C)C2=O)CC[S@@]1=O ZINC000408211077 160060891 /nfs/dbraw/zinc/06/08/91/160060891.db2.gz MOYDSRMRPYOIDP-FVINQWEUSA-N 1 2 301.412 0.160 10 0 DCAELO C[C@@H]1C[N@@H+]([C@@H]2CCCN(CC(C)(C)C)C2=O)C[C@@H](C(N)=O)O1 ZINC000408233540 160065244 /nfs/dbraw/zinc/06/52/44/160065244.db2.gz VUBYIGPCFDSHSL-UPJWGTAASA-N 1 2 311.426 0.598 10 0 DCAELO C[C@@H]1C[N@H+]([C@@H]2CCCN(CC(C)(C)C)C2=O)C[C@@H](C(N)=O)O1 ZINC000408233540 160065247 /nfs/dbraw/zinc/06/52/47/160065247.db2.gz VUBYIGPCFDSHSL-UPJWGTAASA-N 1 2 311.426 0.598 10 0 DCAELO O=C(c1cnn2cccnc12)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000408233501 160065463 /nfs/dbraw/zinc/06/54/63/160065463.db2.gz VGDRYXCMDHYSNE-GFCCVEGCSA-N 1 2 301.350 0.276 10 0 DCAELO COCC[C@H](C)S(=O)(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000408243284 160067935 /nfs/dbraw/zinc/06/79/35/160067935.db2.gz FRUSMXNEUBQADQ-IHRRRGAJSA-N 1 2 320.455 0.394 10 0 DCAELO CC(C)NS(=O)(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000408364632 160093390 /nfs/dbraw/zinc/09/33/90/160093390.db2.gz ADHPNDCDUDBWLF-ZDUSSCGKSA-N 1 2 305.444 0.272 10 0 DCAELO CC(C)NS(=O)(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000408364632 160093391 /nfs/dbraw/zinc/09/33/91/160093391.db2.gz ADHPNDCDUDBWLF-ZDUSSCGKSA-N 1 2 305.444 0.272 10 0 DCAELO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)cn1 ZINC000408448810 160110308 /nfs/dbraw/zinc/11/03/08/160110308.db2.gz BBOMZDCUMYUVPN-OLZOCXBDSA-N 1 2 313.423 0.466 10 0 DCAELO Cc1ccc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)cn1 ZINC000408448810 160110311 /nfs/dbraw/zinc/11/03/11/160110311.db2.gz BBOMZDCUMYUVPN-OLZOCXBDSA-N 1 2 313.423 0.466 10 0 DCAELO CC(=O)N1CC[C@@H](NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)C1 ZINC000120837952 286953002 /nfs/dbraw/zinc/95/30/02/286953002.db2.gz HQYCZRSXAFQYFT-KGLIPLIRSA-N 1 2 305.382 0.678 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)N2CCCCCC2)C[C@H]1C ZINC000252692519 287120785 /nfs/dbraw/zinc/12/07/85/287120785.db2.gz CUMXQCYCUBSXMP-KGLIPLIRSA-N 1 2 319.471 0.494 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)N2CCCCCC2)C[C@H]1C ZINC000252692519 287120788 /nfs/dbraw/zinc/12/07/88/287120788.db2.gz CUMXQCYCUBSXMP-KGLIPLIRSA-N 1 2 319.471 0.494 10 0 DCAELO C[N@H+](CCN1CCOCC1)CC(=O)Nc1ccc2c(c1)OCO2 ZINC000358457794 287210482 /nfs/dbraw/zinc/21/04/82/287210482.db2.gz SSNURXSIIZSHKK-UHFFFAOYSA-N 1 2 321.377 0.618 10 0 DCAELO C[N@@H+](CCN1CCOCC1)CC(=O)Nc1ccc2c(c1)OCO2 ZINC000358457794 287210484 /nfs/dbraw/zinc/21/04/84/287210484.db2.gz SSNURXSIIZSHKK-UHFFFAOYSA-N 1 2 321.377 0.618 10 0 DCAELO CN(CC[NH+]1CCOCC1)CC(=O)Nc1ccc2c(c1)OCO2 ZINC000358457794 287210486 /nfs/dbraw/zinc/21/04/86/287210486.db2.gz SSNURXSIIZSHKK-UHFFFAOYSA-N 1 2 321.377 0.618 10 0 DCAELO CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000106817329 415649552 /nfs/dbraw/zinc/64/95/52/415649552.db2.gz QCOBMFVGNFKXCR-HUUCEWRRSA-N 1 2 324.469 0.386 10 0 DCAELO CCNC(=O)C(C)(C)CNC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000123878666 415845541 /nfs/dbraw/zinc/84/55/41/415845541.db2.gz JZAKQGVXAGXJTG-LBPRGKRZSA-N 1 2 314.430 0.169 10 0 DCAELO C[C@H](OCc1ccccc1)C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000121107084 415794660 /nfs/dbraw/zinc/79/46/60/415794660.db2.gz GNUPSNYDJQKFQK-GOEBONIOSA-N 1 2 322.405 0.401 10 0 DCAELO CC(C)CCO[C@H](C)C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000128082540 415896462 /nfs/dbraw/zinc/89/64/62/415896462.db2.gz REDKORLKLHQIIQ-KGLIPLIRSA-N 1 2 302.415 0.247 10 0 DCAELO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCN(CC(F)F)[C@@H](CC)C1 ZINC000153611646 415984958 /nfs/dbraw/zinc/98/49/58/415984958.db2.gz IAQRWCTYUDDFKO-QWRGUYRKSA-N 1 2 320.384 0.882 10 0 DCAELO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCN(CC(F)F)[C@@H](CC)C1 ZINC000153611646 415984961 /nfs/dbraw/zinc/98/49/61/415984961.db2.gz IAQRWCTYUDDFKO-QWRGUYRKSA-N 1 2 320.384 0.882 10 0 DCAELO CN(C)c1ncc(NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cn1 ZINC000155086529 415992497 /nfs/dbraw/zinc/99/24/97/415992497.db2.gz OINKCVLQZDDVQL-ZDUSSCGKSA-N 1 2 320.397 0.481 10 0 DCAELO NC(=O)c1cccc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000172763034 416047816 /nfs/dbraw/zinc/04/78/16/416047816.db2.gz IFICFGRJIKZBHN-AWEZNQCLSA-N 1 2 303.362 0.332 10 0 DCAELO Cc1noc(C)c1CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173792932 416065186 /nfs/dbraw/zinc/06/51/86/416065186.db2.gz SPZNQDHURHUVOR-ZDUSSCGKSA-N 1 2 308.382 0.908 10 0 DCAELO C[C@H](NC(=O)CC(C)(C)C)C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000356938807 416008404 /nfs/dbraw/zinc/00/84/04/416008404.db2.gz QHCQASQXTLTDAV-RWMBFGLXSA-N 1 2 311.426 0.469 10 0 DCAELO C[C@H](NC(=O)CC(C)(C)C)C(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000356938807 416008409 /nfs/dbraw/zinc/00/84/09/416008409.db2.gz QHCQASQXTLTDAV-RWMBFGLXSA-N 1 2 311.426 0.469 10 0 DCAELO C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000170821856 416034663 /nfs/dbraw/zinc/03/46/63/416034663.db2.gz KJDKOLFVSSQWNQ-DOMZBBRYSA-N 1 2 317.389 0.982 10 0 DCAELO Cc1noc(CCNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)n1 ZINC000171223218 416038854 /nfs/dbraw/zinc/03/88/54/416038854.db2.gz DUFYCYPIKZMRKA-UHFFFAOYSA-N 1 2 311.386 0.331 10 0 DCAELO Cc1noc(CCNC(=O)NCC[N@H+]2CCOC(C)(C)C2)n1 ZINC000171223218 416038856 /nfs/dbraw/zinc/03/88/56/416038856.db2.gz DUFYCYPIKZMRKA-UHFFFAOYSA-N 1 2 311.386 0.331 10 0 DCAELO O[C@@H](CNc1ncnc2ccc(F)cc21)C[NH+]1CCOCC1 ZINC000301723221 416090689 /nfs/dbraw/zinc/09/06/89/416090689.db2.gz KTUWGOHJSGZNKN-LBPRGKRZSA-N 1 2 306.341 0.874 10 0 DCAELO COc1ccccc1NC(=O)C[NH+]1CCC(NC(N)=O)CC1 ZINC000174919430 416090823 /nfs/dbraw/zinc/09/08/23/416090823.db2.gz OVVVAMLFFIYGIE-UHFFFAOYSA-N 1 2 306.366 0.766 10 0 DCAELO COC(=O)Cn1ncc2c1nc[nH+]c2N1CCC[C@@H]([C@@H](C)O)C1 ZINC000301798079 416092228 /nfs/dbraw/zinc/09/22/28/416092228.db2.gz VBLUDTPJCBLMLY-GHMZBOCLSA-N 1 2 319.365 0.597 10 0 DCAELO CC[C@@H]1CN(S(=O)(=O)CCOC(C)C)CC[N@@H+]1CCOC ZINC000175119462 416097029 /nfs/dbraw/zinc/09/70/29/416097029.db2.gz SIKZYLGRPSMHQN-CQSZACIVSA-N 1 2 322.471 0.784 10 0 DCAELO CC[C@@H]1CN(S(=O)(=O)CCOC(C)C)CC[N@H+]1CCOC ZINC000175119462 416097030 /nfs/dbraw/zinc/09/70/30/416097030.db2.gz SIKZYLGRPSMHQN-CQSZACIVSA-N 1 2 322.471 0.784 10 0 DCAELO O=C1c2ccccc2C(=O)N1CCC[N@H+]1CCOC[C@@H]1CO ZINC000317098262 416117788 /nfs/dbraw/zinc/11/77/88/416117788.db2.gz BBZJGYHOFMVHCO-LBPRGKRZSA-N 1 2 304.346 0.366 10 0 DCAELO O=C1c2ccccc2C(=O)N1CCC[N@@H+]1CCOC[C@@H]1CO ZINC000317098262 416117792 /nfs/dbraw/zinc/11/77/92/416117792.db2.gz BBZJGYHOFMVHCO-LBPRGKRZSA-N 1 2 304.346 0.366 10 0 DCAELO CCS(=O)(=O)CCNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000176034265 416118926 /nfs/dbraw/zinc/11/89/26/416118926.db2.gz XVZDUTHDCMSMLW-GFCCVEGCSA-N 1 2 301.412 0.077 10 0 DCAELO CCNc1nc(NC(C)(C)C)nc(NC[C@@H](CO)C2CC2)[nH+]1 ZINC000357783880 416131654 /nfs/dbraw/zinc/13/16/54/416131654.db2.gz PJWMZCZHOYWXLV-NSHDSACASA-N 1 2 308.430 0.788 10 0 DCAELO CCNc1nc(NC[C@@H](CO)C2CC2)nc(NC(C)(C)C)[nH+]1 ZINC000357783880 416131658 /nfs/dbraw/zinc/13/16/58/416131658.db2.gz PJWMZCZHOYWXLV-NSHDSACASA-N 1 2 308.430 0.788 10 0 DCAELO CCNc1nc(NC[C@@H](CO)C2CC2)[nH+]c(NC(C)(C)C)n1 ZINC000357783880 416131662 /nfs/dbraw/zinc/13/16/62/416131662.db2.gz PJWMZCZHOYWXLV-NSHDSACASA-N 1 2 308.430 0.788 10 0 DCAELO C[C@@](O)(CNC(=O)c1cc(Cl)ccn1)C[NH+]1CCOCC1 ZINC000176904967 416137068 /nfs/dbraw/zinc/13/70/68/416137068.db2.gz YQKLCWCZVOUIKL-CQSZACIVSA-N 1 2 313.785 0.548 10 0 DCAELO CN1C[C@H](NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)CCC1=O ZINC000177540153 416147449 /nfs/dbraw/zinc/14/74/49/416147449.db2.gz FQPNQIIHYUUQLD-CHWSQXEVSA-N 1 2 305.382 0.678 10 0 DCAELO CCCNC(=O)C[C@H](C(N)=O)[N@H+](CCC)Cc1ncc(C)cn1 ZINC000358034025 416173042 /nfs/dbraw/zinc/17/30/42/416173042.db2.gz MMGUNXKGNUEVTK-CYBMUJFWSA-N 1 2 321.425 0.767 10 0 DCAELO CCCNC(=O)C[C@H](C(N)=O)[N@@H+](CCC)Cc1ncc(C)cn1 ZINC000358034025 416173047 /nfs/dbraw/zinc/17/30/47/416173047.db2.gz MMGUNXKGNUEVTK-CYBMUJFWSA-N 1 2 321.425 0.767 10 0 DCAELO CC1=CC[N@H+](CCNC(=O)NC[C@H]2CCS(=O)(=O)C2)CC1 ZINC000358192449 416209609 /nfs/dbraw/zinc/20/96/09/416209609.db2.gz PYMWLBSIGAYMAC-CYBMUJFWSA-N 1 2 315.439 0.372 10 0 DCAELO CC1=CC[N@@H+](CCNC(=O)NC[C@H]2CCS(=O)(=O)C2)CC1 ZINC000358192449 416209612 /nfs/dbraw/zinc/20/96/12/416209612.db2.gz PYMWLBSIGAYMAC-CYBMUJFWSA-N 1 2 315.439 0.372 10 0 DCAELO Cc1cc(N2CC[NH+]([C@@H](C)C(=O)NC[C@H]3CCCO3)CC2)n[nH]1 ZINC000187192158 416261291 /nfs/dbraw/zinc/26/12/91/416261291.db2.gz UQCUVIXRKDWIBZ-UONOGXRCSA-N 1 2 321.425 0.524 10 0 DCAELO Cc1cccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1F ZINC000190027368 416273895 /nfs/dbraw/zinc/27/38/95/416273895.db2.gz LUPYXVITXPYCLX-LBPRGKRZSA-N 1 2 323.368 0.598 10 0 DCAELO Cc1cccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1F ZINC000190027368 416273899 /nfs/dbraw/zinc/27/38/99/416273899.db2.gz LUPYXVITXPYCLX-LBPRGKRZSA-N 1 2 323.368 0.598 10 0 DCAELO Cc1cccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1C ZINC000190039995 416274473 /nfs/dbraw/zinc/27/44/73/416274473.db2.gz YYBDKOYGWUJQOE-CYBMUJFWSA-N 1 2 319.405 0.767 10 0 DCAELO Cc1cccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1C ZINC000190039995 416274475 /nfs/dbraw/zinc/27/44/75/416274475.db2.gz YYBDKOYGWUJQOE-CYBMUJFWSA-N 1 2 319.405 0.767 10 0 DCAELO O=C1[C@@H]([N@@H+]2CC[C@@H](N3CCOCC3)C2)CCN1CC(F)(F)F ZINC000247190767 416332666 /nfs/dbraw/zinc/33/26/66/416332666.db2.gz SROSOZACGAGQNS-NEPJUHHUSA-N 1 2 321.343 0.556 10 0 DCAELO O=C1[C@@H]([N@H+]2CC[C@@H](N3CCOCC3)C2)CCN1CC(F)(F)F ZINC000247190767 416332667 /nfs/dbraw/zinc/33/26/67/416332667.db2.gz SROSOZACGAGQNS-NEPJUHHUSA-N 1 2 321.343 0.556 10 0 DCAELO O=C1[C@@H](N2CC[C@@H]([NH+]3CCOCC3)C2)CCN1CC(F)(F)F ZINC000247190767 416332668 /nfs/dbraw/zinc/33/26/68/416332668.db2.gz SROSOZACGAGQNS-NEPJUHHUSA-N 1 2 321.343 0.556 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)CCNC(=O)c2ccsc2)C1 ZINC000194629442 416323800 /nfs/dbraw/zinc/32/38/00/416323800.db2.gz IMDXOQPNMBGNDK-GFCCVEGCSA-N 1 2 311.407 0.315 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)CCNC(=O)c2ccsc2)C1 ZINC000194629442 416323801 /nfs/dbraw/zinc/32/38/01/416323801.db2.gz IMDXOQPNMBGNDK-GFCCVEGCSA-N 1 2 311.407 0.315 10 0 DCAELO CCS(=O)(=O)c1ccc(O)c(C(=O)NC[C@@H]2CCC[NH2+]2)c1 ZINC000211746391 416327175 /nfs/dbraw/zinc/32/71/75/416327175.db2.gz QMVJRPGKGXPHOO-JTQLQIEISA-N 1 2 312.391 0.668 10 0 DCAELO Cc1cc2[nH+]cn(C[C@H](O)CN3CC(=O)N(C)C3)c2cc1C ZINC000360492491 416393278 /nfs/dbraw/zinc/39/32/78/416393278.db2.gz SHFFGUPEYSREER-CYBMUJFWSA-N 1 2 302.378 0.746 10 0 DCAELO C[C@@H](C[N@@H+]1C[C@@H](C)OC2(CCOCC2)C1)CS(C)(=O)=O ZINC000366076158 416615066 /nfs/dbraw/zinc/61/50/66/416615066.db2.gz XUNZTECICQYMFI-QWHCGFSZSA-N 1 2 305.440 0.937 10 0 DCAELO C[C@@H](C[N@H+]1C[C@@H](C)OC2(CCOCC2)C1)CS(C)(=O)=O ZINC000366076158 416615067 /nfs/dbraw/zinc/61/50/67/416615067.db2.gz XUNZTECICQYMFI-QWHCGFSZSA-N 1 2 305.440 0.937 10 0 DCAELO CC(C)(C)n1cnc(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)n1 ZINC000547667468 416682281 /nfs/dbraw/zinc/68/22/81/416682281.db2.gz DRWIMPXMRDEAPC-JTQLQIEISA-N 1 2 303.370 1.366 10 0 DCAELO O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)N1CC(F)C1 ZINC000544297481 416653703 /nfs/dbraw/zinc/65/37/03/416653703.db2.gz JSEBQHNIXVVRIH-UHFFFAOYSA-N 1 2 312.389 0.294 10 0 DCAELO CC(=O)CSCC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000426351787 416763971 /nfs/dbraw/zinc/76/39/71/416763971.db2.gz JTUIYKGLWGBEBS-UHFFFAOYSA-N 1 2 310.423 0.387 10 0 DCAELO CCO[C@H]1C[C@]([NH2+]CCC(=O)N(C)C)(C(=O)OC)C1(C)C ZINC000444762172 416868812 /nfs/dbraw/zinc/86/88/12/416868812.db2.gz YTOUJWXAWQDNQX-NHYWBVRUSA-N 1 2 300.399 0.801 10 0 DCAELO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CCN1CCCS1(=O)=O ZINC000615628563 416873224 /nfs/dbraw/zinc/87/32/24/416873224.db2.gz BEJVRYLBDJFIDY-AVGNSLFASA-N 1 2 316.423 0.295 10 0 DCAELO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CCN1CCCS1(=O)=O ZINC000615628563 416873230 /nfs/dbraw/zinc/87/32/30/416873230.db2.gz BEJVRYLBDJFIDY-AVGNSLFASA-N 1 2 316.423 0.295 10 0 DCAELO CCOC(=O)c1ccc([C@H]2CN(S(C)(=O)=O)CC[NH2+]2)cc1 ZINC000616654280 417089863 /nfs/dbraw/zinc/08/98/63/417089863.db2.gz PRBOPIGIZWNCBL-CYBMUJFWSA-N 1 2 312.391 0.769 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCCn1ncnn1)C2 ZINC000526021538 417174117 /nfs/dbraw/zinc/17/41/17/417174117.db2.gz VBVUITGMSJMPRD-JTQLQIEISA-N 1 2 303.370 0.441 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCCn1ncnn1)CC2 ZINC000526021538 417174121 /nfs/dbraw/zinc/17/41/21/417174121.db2.gz VBVUITGMSJMPRD-JTQLQIEISA-N 1 2 303.370 0.441 10 0 DCAELO CC(=O)[C@](C)(O)C[N@@H+]1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000450432918 417228887 /nfs/dbraw/zinc/22/88/87/417228887.db2.gz IRNDQHXQEIDWFJ-MRXNPFEDSA-N 1 2 308.353 0.810 10 0 DCAELO CC(=O)[C@](C)(O)C[N@H+]1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000450432918 417228894 /nfs/dbraw/zinc/22/88/94/417228894.db2.gz IRNDQHXQEIDWFJ-MRXNPFEDSA-N 1 2 308.353 0.810 10 0 DCAELO CCOC(=O)[C@H]1C[N@H+](CC(=O)NCC(F)(F)F)CC12COC2 ZINC000451131899 417301289 /nfs/dbraw/zinc/30/12/89/417301289.db2.gz HSXAZULNBVMKOI-SECBINFHSA-N 1 2 324.299 0.176 10 0 DCAELO CCOC(=O)[C@H]1C[N@@H+](CC(=O)NCC(F)(F)F)CC12COC2 ZINC000451131899 417301293 /nfs/dbraw/zinc/30/12/93/417301293.db2.gz HSXAZULNBVMKOI-SECBINFHSA-N 1 2 324.299 0.176 10 0 DCAELO COC[C@@]1(C(N)=O)CCC[N@@H+]1Cc1cc2c(c(OC)c1)OCO2 ZINC000643763120 417339610 /nfs/dbraw/zinc/33/96/10/417339610.db2.gz SYGIDUNTVLTERL-MRXNPFEDSA-N 1 2 322.361 0.890 10 0 DCAELO COC[C@@]1(C(N)=O)CCC[N@H+]1Cc1cc2c(c(OC)c1)OCO2 ZINC000643763120 417339618 /nfs/dbraw/zinc/33/96/18/417339618.db2.gz SYGIDUNTVLTERL-MRXNPFEDSA-N 1 2 322.361 0.890 10 0 DCAELO O=C(Nc1cc(C2CC2)[nH]n1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000578479337 417685971 /nfs/dbraw/zinc/68/59/71/417685971.db2.gz ZXAJXOXZDJWLAF-UHFFFAOYSA-N 1 2 310.317 1.512 10 0 DCAELO CCNC(=O)N1CC[C@@H](NC(=O)NCCCCn2cc[nH+]c2)C1 ZINC000531860958 417644185 /nfs/dbraw/zinc/64/41/85/417644185.db2.gz TZGOYFZDGNXWOW-CYBMUJFWSA-N 1 2 322.413 0.766 10 0 DCAELO C[N@@H+]1CCOC[C@H]1CNC(=O)c1ccncc1Br ZINC000628916968 417722082 /nfs/dbraw/zinc/72/20/82/417722082.db2.gz GXPWJWBBMPOZEW-SECBINFHSA-N 1 2 314.183 0.905 10 0 DCAELO C[N@H+]1CCOC[C@H]1CNC(=O)c1ccncc1Br ZINC000628916968 417722085 /nfs/dbraw/zinc/72/20/85/417722085.db2.gz GXPWJWBBMPOZEW-SECBINFHSA-N 1 2 314.183 0.905 10 0 DCAELO C[C@H](CNC(=O)[C@@H]1Cc2ccccc2C(=O)O1)[NH+]1CCOCC1 ZINC000046269125 261106510 /nfs/dbraw/zinc/10/65/10/261106510.db2.gz CSTKICWVFDMDGP-DOMZBBRYSA-N 1 2 318.373 0.605 10 0 DCAELO C[C@@H](c1cnccn1)[NH+]1CCN(c2ccc3nncn3n2)CC1 ZINC000184517924 261118749 /nfs/dbraw/zinc/11/87/49/261118749.db2.gz XRNUHJMBQGRDMS-LBPRGKRZSA-N 1 2 310.365 0.798 10 0 DCAELO O=C(NC[C@H](c1cccs1)[NH+]1CCOCC1)[C@H]1CNC(=O)C1 ZINC000194861006 261148954 /nfs/dbraw/zinc/14/89/54/261148954.db2.gz UCMUOHYAEDBQBM-VXGBXAGGSA-N 1 2 323.418 0.374 10 0 DCAELO C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000363791082 262129998 /nfs/dbraw/zinc/12/99/98/262129998.db2.gz CIBPAFCFHKNACR-RYUDHWBXSA-N 1 2 312.414 0.016 10 0 DCAELO C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000363791082 262130000 /nfs/dbraw/zinc/13/00/00/262130000.db2.gz CIBPAFCFHKNACR-RYUDHWBXSA-N 1 2 312.414 0.016 10 0 DCAELO Cn1cc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)c(-c2ccoc2)n1 ZINC000363931416 271208467 /nfs/dbraw/zinc/20/84/67/271208467.db2.gz RUTIESGZBNUIRT-GFCCVEGCSA-N 1 2 304.350 0.741 10 0 DCAELO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c(-c2ccoc2)n1 ZINC000363931416 271208470 /nfs/dbraw/zinc/20/84/70/271208470.db2.gz RUTIESGZBNUIRT-GFCCVEGCSA-N 1 2 304.350 0.741 10 0 DCAELO CC(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000329618800 278008084 /nfs/dbraw/zinc/00/80/84/278008084.db2.gz GHANPIMNTYKAFI-BPLDGKMQSA-N 1 2 309.410 0.176 10 0 DCAELO CC(C)c1nc2c(n1C)CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC000174816797 278074759 /nfs/dbraw/zinc/07/47/59/278074759.db2.gz BTUGWQZMEDZURL-AWEZNQCLSA-N 1 2 306.410 0.759 10 0 DCAELO CC(C)c1nc2c(n1C)CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC000174816797 278074760 /nfs/dbraw/zinc/07/47/60/278074760.db2.gz BTUGWQZMEDZURL-AWEZNQCLSA-N 1 2 306.410 0.759 10 0 DCAELO CC(=O)N[C@@H](C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)C1CCCC1 ZINC000172766503 278126246 /nfs/dbraw/zinc/12/62/46/278126246.db2.gz XLFXZTXVESMUIK-HZPDHXFCSA-N 1 2 323.437 0.614 10 0 DCAELO CC1(C)[C@H](NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)[C@H]2CCO[C@H]21 ZINC000246947632 278438612 /nfs/dbraw/zinc/43/86/12/278438612.db2.gz KJEJNEJXLPHRSI-GBJTYRQASA-N 1 2 323.437 0.916 10 0 DCAELO O=C(CN1CCOCC1=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000548060465 288107585 /nfs/dbraw/zinc/10/75/85/288107585.db2.gz MKSCVTNTIFQLKJ-UHFFFAOYSA-N 1 2 300.318 0.670 10 0 DCAELO Cn1nc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)cc1C1CC1 ZINC000328903267 279396374 /nfs/dbraw/zinc/39/63/74/279396374.db2.gz HQYDKMZWIQTVEZ-CABCVRRESA-N 1 2 304.394 0.843 10 0 DCAELO Cn1nc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)cc1C1CC1 ZINC000328903267 279396378 /nfs/dbraw/zinc/39/63/78/279396378.db2.gz HQYDKMZWIQTVEZ-CABCVRRESA-N 1 2 304.394 0.843 10 0 DCAELO O=C(c1ccc2c(c1)NC(=O)C2)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000187697149 280196050 /nfs/dbraw/zinc/19/60/50/280196050.db2.gz PADOKYVAXIJAJD-CQSZACIVSA-N 1 2 315.373 0.728 10 0 DCAELO CC1(C)CN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CCO1 ZINC000552711427 288279719 /nfs/dbraw/zinc/27/97/19/288279719.db2.gz XRPHPTCVDJALTD-UHFFFAOYSA-N 1 2 302.334 0.910 10 0 DCAELO CN1CCC[C@@H](NC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1=O ZINC000552741968 288279763 /nfs/dbraw/zinc/27/97/63/288279763.db2.gz KFPQIXREAHLGTB-LLVKDONJSA-N 1 2 315.333 0.010 10 0 DCAELO C[C@@H](O)C[C@H](C)CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000553082628 288286249 /nfs/dbraw/zinc/28/62/49/288286249.db2.gz JOLAPDUUCPENMZ-WDEREUQCSA-N 1 2 304.350 0.796 10 0 DCAELO CC[C@H](C)[C@@H](O)CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000557376551 288418089 /nfs/dbraw/zinc/41/80/89/288418089.db2.gz GMSUGQJVUGSWSM-JQWIXIFHSA-N 1 2 304.350 0.796 10 0 DCAELO C[N@@H+]1CCO[C@H](C(=O)N2CCCC[C@H]2CN2CCOCC2)C1 ZINC000245495826 290100155 /nfs/dbraw/zinc/10/01/55/290100155.db2.gz QFOSOWPAOBGUEV-GJZGRUSLSA-N 1 2 311.426 0.030 10 0 DCAELO C[N@H+]1CCO[C@H](C(=O)N2CCCC[C@H]2CN2CCOCC2)C1 ZINC000245495826 290100158 /nfs/dbraw/zinc/10/01/58/290100158.db2.gz QFOSOWPAOBGUEV-GJZGRUSLSA-N 1 2 311.426 0.030 10 0 DCAELO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1nnnn1C(C)(C)C ZINC000329091847 297265727 /nfs/dbraw/zinc/26/57/27/297265727.db2.gz XBNKWYGFJXCCDB-CHWSQXEVSA-N 1 2 308.430 0.723 10 0 DCAELO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1nnnn1C(C)(C)C ZINC000329091847 297265729 /nfs/dbraw/zinc/26/57/29/297265729.db2.gz XBNKWYGFJXCCDB-CHWSQXEVSA-N 1 2 308.430 0.723 10 0 DCAELO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1nnnn1C(C)(C)C ZINC000329091847 297265731 /nfs/dbraw/zinc/26/57/31/297265731.db2.gz XBNKWYGFJXCCDB-CHWSQXEVSA-N 1 2 308.430 0.723 10 0 DCAELO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1S(=O)(=O)[C@H]1CCCOC1 ZINC000329054967 297414750 /nfs/dbraw/zinc/41/47/50/297414750.db2.gz HXAHPFQZZJLBLA-RDBSUJKOSA-N 1 2 318.439 0.290 10 0 DCAELO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)c2ccc[nH]2)CC1 ZINC000408125511 298057121 /nfs/dbraw/zinc/05/71/21/298057121.db2.gz AOHXLWWIJFFUHO-CYBMUJFWSA-N 1 2 320.393 0.020 10 0 DCAELO OCCN1CC[NH+](CCC2=N[C@H](c3ccccc3)NO2)CC1 ZINC000584620981 337374861 /nfs/dbraw/zinc/37/48/61/337374861.db2.gz ZKJDZWKZTJFINB-INIZCTEOSA-N 1 2 304.394 0.619 10 0 DCAELO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)CN1CCCC1=O ZINC000156924356 518848957 /nfs/dbraw/zinc/84/89/57/518848957.db2.gz LACHVROGFVRQTF-OLZOCXBDSA-N 1 2 312.410 0.776 10 0 DCAELO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1C[C@@H](O)CN1CCCC1=O ZINC000156924356 518848967 /nfs/dbraw/zinc/84/89/67/518848967.db2.gz LACHVROGFVRQTF-OLZOCXBDSA-N 1 2 312.410 0.776 10 0 DCAELO CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000246967267 521342503 /nfs/dbraw/zinc/34/25/03/521342503.db2.gz DRANWLHVVHBVOZ-WDEREUQCSA-N 1 2 305.444 0.303 10 0 DCAELO CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000246967267 521342514 /nfs/dbraw/zinc/34/25/14/521342514.db2.gz DRANWLHVVHBVOZ-WDEREUQCSA-N 1 2 305.444 0.303 10 0 DCAELO COc1cc(C(=O)NC[C@H](O)C[NH+]2CCOCC2)ccc1F ZINC000132272609 522120401 /nfs/dbraw/zinc/12/04/01/522120401.db2.gz JPQYHPNCKORPSO-LBPRGKRZSA-N 1 2 312.341 0.257 10 0 DCAELO CCc1ncc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)cn1 ZINC000130627976 522558858 /nfs/dbraw/zinc/55/88/58/522558858.db2.gz ICASDIUCKALMIH-UHFFFAOYSA-N 1 2 303.366 0.284 10 0 DCAELO C[C@@H](Oc1ccccc1)C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000154119620 525952597 /nfs/dbraw/zinc/95/25/97/525952597.db2.gz FGTKTFCHBWPRFN-ZIAGYGMSSA-N 1 2 308.378 0.263 10 0 DCAELO CC(C)(C)NC(=O)CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173767139 526310617 /nfs/dbraw/zinc/31/06/17/526310617.db2.gz UUXXQLLWDDYCFB-LBPRGKRZSA-N 1 2 312.414 0.017 10 0 DCAELO CC(=O)[C@@](C)(O)C[NH+]1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000330875950 527139359 /nfs/dbraw/zinc/13/93/59/527139359.db2.gz WROCGGRPBAQZRW-INIZCTEOSA-N 1 2 306.362 0.490 10 0 DCAELO Cn1cc([C@H]2CC[N@H+](Cc3nnnn3CC(F)(F)F)C2)cn1 ZINC000190897623 527319451 /nfs/dbraw/zinc/31/94/51/527319451.db2.gz DIUWGKLDRVNVOM-VIFPVBQESA-N 1 2 315.303 0.958 10 0 DCAELO Cn1cc([C@H]2CC[N@@H+](Cc3nnnn3CC(F)(F)F)C2)cn1 ZINC000190897623 527319453 /nfs/dbraw/zinc/31/94/53/527319453.db2.gz DIUWGKLDRVNVOM-VIFPVBQESA-N 1 2 315.303 0.958 10 0 DCAELO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NC1(CO)CC1 ZINC000121076141 545747588 /nfs/dbraw/zinc/74/75/88/545747588.db2.gz JSWQXKYJBJAWAT-UHFFFAOYSA-N 1 2 306.366 0.873 10 0 DCAELO CCC1(CC)C[N@H+](C[C@H](O)CN2CCCC2=O)CC[S@@]1=O ZINC000185276017 545912520 /nfs/dbraw/zinc/91/25/20/545912520.db2.gz OIENOBVYTWUKOY-ZSEKCTLFSA-N 1 2 316.467 0.593 10 0 DCAELO CCC1(CC)C[N@@H+](C[C@H](O)CN2CCCC2=O)CC[S@@]1=O ZINC000185276017 545912521 /nfs/dbraw/zinc/91/25/21/545912521.db2.gz OIENOBVYTWUKOY-ZSEKCTLFSA-N 1 2 316.467 0.593 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cn3ccnc3s2)C[C@@H]1C ZINC000248963105 545969923 /nfs/dbraw/zinc/96/99/23/545969923.db2.gz RJEYQXMMPCVBIC-QWRGUYRKSA-N 1 2 308.407 0.923 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(C(=O)c2cn3ccnc3s2)C[C@@H]1C ZINC000248963105 545969929 /nfs/dbraw/zinc/96/99/29/545969929.db2.gz RJEYQXMMPCVBIC-QWRGUYRKSA-N 1 2 308.407 0.923 10 0 DCAELO Cc1nc(N2CCOC[C@H]2C(N)=O)c(Br)c(C)[nH+]1 ZINC000323189436 546036943 /nfs/dbraw/zinc/03/69/43/546036943.db2.gz MBZMRESZCAWVGT-QMMMGPOBSA-N 1 2 315.171 0.546 10 0 DCAELO Cc1nc(S(=O)(=O)N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)cn1C ZINC000329629245 546052866 /nfs/dbraw/zinc/05/28/66/546052866.db2.gz HLHBSKVHYNESJL-WCQYABFASA-N 1 2 312.439 0.976 10 0 DCAELO Cc1nc(S(=O)(=O)N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)cn1C ZINC000329629245 546052870 /nfs/dbraw/zinc/05/28/70/546052870.db2.gz HLHBSKVHYNESJL-WCQYABFASA-N 1 2 312.439 0.976 10 0 DCAELO O=C1CC2(CN(c3ccnc(-c4ccccc4)n3)C2)[NH2+]CCN1 ZINC000606445119 546310561 /nfs/dbraw/zinc/31/05/61/546310561.db2.gz BGQUOZKJHZVMMP-UHFFFAOYSA-N 1 2 309.373 0.812 10 0 DCAELO C[C@@H]1CN(Cc2cnc(NS(C)(=O)=O)s2)CC[C@@H]1[NH3+] ZINC000725272287 548750368 /nfs/dbraw/zinc/75/03/68/548750368.db2.gz OOGLQWZBYBTIHF-SCZZXKLOSA-N 1 2 304.441 0.684 10 0 DCAELO O=S1(=O)CCC[C@@H]([NH2+]Cc2cnn(-c3ccccc3)n2)C1 ZINC000069140566 657555315 /nfs/dbraw/zinc/55/53/15/657555315.db2.gz FIYJQOJDZXFYEY-GFCCVEGCSA-N 1 2 306.391 0.934 10 0 DCAELO CCCCN(C(=O)C[C@@H]([NH3+])C(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000724722460 658930248 /nfs/dbraw/zinc/93/02/48/658930248.db2.gz VVJYUFNEVUEVSS-VHSXEESVSA-N 1 2 312.382 0.785 10 0 DCAELO O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262927471 662599912 /nfs/dbraw/zinc/59/99/12/662599912.db2.gz HOIBBPQTKXUAIO-JQWIXIFHSA-N 1 2 309.316 0.905 10 0 DCAELO CCCC[C@H]1NC(=O)N(C[NH+]2CCC(C(=O)N(C)C)CC2)C1=O ZINC000064382133 665313118 /nfs/dbraw/zinc/31/31/18/665313118.db2.gz IRRRVVGMMFXSBS-CYBMUJFWSA-N 1 2 324.425 0.855 10 0 DCAELO CC[C@@H]1CN(C(=O)c2cn(CC)nn2)C[C@@H]1[NH+]1CCOCC1 ZINC000933756116 669533107 /nfs/dbraw/zinc/53/31/07/669533107.db2.gz NPYXLMOPACLXFR-OCCSQVGLSA-N 1 2 307.398 0.481 10 0 DCAELO Cn1cc(C[NH2+]CC(=O)NCC(F)F)c(Br)n1 ZINC000712497075 670149684 /nfs/dbraw/zinc/14/96/84/670149684.db2.gz UCJKFYOVZCRGCC-UHFFFAOYSA-N 1 2 311.130 0.654 10 0 DCAELO CN1C(=O)CC[C@H]([NH2+]Cc2nc(Br)c[nH]2)C1=O ZINC000383297082 685241495 /nfs/dbraw/zinc/24/14/95/685241495.db2.gz OFVKCNWVFMRCAI-LURJTMIESA-N 1 2 301.144 0.409 10 0 DCAELO CC[C@@H]1CN(S(=O)(=O)[C@H](C)COC)CC[N@@H+]1CCOC ZINC000246712923 529399803 /nfs/dbraw/zinc/39/98/03/529399803.db2.gz NFOCWNNJPNLGBL-CHWSQXEVSA-N 1 2 308.444 0.394 10 0 DCAELO CC[C@@H]1CN(S(=O)(=O)[C@H](C)COC)CC[N@H+]1CCOC ZINC000246712923 529399807 /nfs/dbraw/zinc/39/98/07/529399807.db2.gz NFOCWNNJPNLGBL-CHWSQXEVSA-N 1 2 308.444 0.394 10 0 DCAELO C[C@H](CNC(=O)N[C@@H]1c2ccccc2C[C@@H]1O)[NH+]1CCOCC1 ZINC000079159036 185160670 /nfs/dbraw/zinc/16/06/70/185160670.db2.gz BJEYZFKRFYIOSZ-UHOFOFEASA-N 1 2 319.405 0.665 10 0 DCAELO Cc1cc(C(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)nc(C)n1 ZINC000328633311 231268084 /nfs/dbraw/zinc/26/80/84/231268084.db2.gz SLGPATYWKOZULC-CQSZACIVSA-N 1 2 314.393 0.956 10 0 DCAELO CN(C)c1[nH+]cccc1CNC(=O)NCC1(CO)CCOCC1 ZINC000157571935 529814107 /nfs/dbraw/zinc/81/41/07/529814107.db2.gz RPCMQJOLXXDAML-UHFFFAOYSA-N 1 2 322.409 0.736 10 0 DCAELO C[N@@H+](CC(N)=O)C[C@@H]1CN(CCc2ccccc2F)CCO1 ZINC000275854523 529852179 /nfs/dbraw/zinc/85/21/79/529852179.db2.gz XDYFCEVWGQMZAO-CQSZACIVSA-N 1 2 309.385 0.486 10 0 DCAELO C[N@H+](CC(N)=O)C[C@@H]1CN(CCc2ccccc2F)CCO1 ZINC000275854523 529852180 /nfs/dbraw/zinc/85/21/80/529852180.db2.gz XDYFCEVWGQMZAO-CQSZACIVSA-N 1 2 309.385 0.486 10 0 DCAELO CN(CC(N)=O)C[C@@H]1C[N@H+](CCc2ccccc2F)CCO1 ZINC000275854523 529852181 /nfs/dbraw/zinc/85/21/81/529852181.db2.gz XDYFCEVWGQMZAO-CQSZACIVSA-N 1 2 309.385 0.486 10 0 DCAELO CN(CC(N)=O)C[C@@H]1C[N@@H+](CCc2ccccc2F)CCO1 ZINC000275854523 529852182 /nfs/dbraw/zinc/85/21/82/529852182.db2.gz XDYFCEVWGQMZAO-CQSZACIVSA-N 1 2 309.385 0.486 10 0 DCAELO Cc1noc([C@H](C)N2CC[NH+](C[C@@H](O)C(F)(F)F)CC2)n1 ZINC000181690098 199338933 /nfs/dbraw/zinc/33/89/33/199338933.db2.gz WUMCVOGTAFSHKM-WCBMZHEXSA-N 1 2 308.304 0.980 10 0 DCAELO FC(F)CN1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000172598858 198120744 /nfs/dbraw/zinc/12/07/44/198120744.db2.gz LSZLBOPMTAXLLR-UHFFFAOYSA-N 1 2 313.352 0.700 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)NCCOC)nc[nH+]1 ZINC000174000084 198279015 /nfs/dbraw/zinc/27/90/15/198279015.db2.gz MXWMNGOOPGDBLQ-NSHDSACASA-N 1 2 308.386 0.433 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)NCCOC)[nH+]cn1 ZINC000174000084 198279017 /nfs/dbraw/zinc/27/90/17/198279017.db2.gz MXWMNGOOPGDBLQ-NSHDSACASA-N 1 2 308.386 0.433 10 0 DCAELO CN(C)c1[nH+]cccc1CNC(=O)N1CCC[C@@H](OCCO)C1 ZINC000187396156 200106739 /nfs/dbraw/zinc/10/67/39/200106739.db2.gz HFDPWSLURGKNCM-CQSZACIVSA-N 1 2 322.409 0.831 10 0 DCAELO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CCN(CCO)[C@H](C)C1 ZINC000187700460 237355052 /nfs/dbraw/zinc/35/50/52/237355052.db2.gz PPWNRGPDKJCYRY-QKPAOTATSA-N 1 2 311.470 0.878 10 0 DCAELO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CCN(CCO)[C@H](C)C1 ZINC000187700460 237355060 /nfs/dbraw/zinc/35/50/60/237355060.db2.gz PPWNRGPDKJCYRY-QKPAOTATSA-N 1 2 311.470 0.878 10 0 DCAELO Cc1ccccc1CS(=O)(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000188729808 200296311 /nfs/dbraw/zinc/29/63/11/200296311.db2.gz FNISXRCSIBDKRX-CQSZACIVSA-N 1 2 312.435 0.823 10 0 DCAELO Cc1ccccc1CS(=O)(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000188729808 200296313 /nfs/dbraw/zinc/29/63/13/200296313.db2.gz FNISXRCSIBDKRX-CQSZACIVSA-N 1 2 312.435 0.823 10 0 DCAELO CCn1cc[nH+]c1CN1C(=O)N[C@](C)(c2cnn(C)c2)C1=O ZINC000153794455 291208723 /nfs/dbraw/zinc/20/87/23/291208723.db2.gz GXEWYNVZZUINOV-CQSZACIVSA-N 1 2 302.338 0.604 10 0 DCAELO C[C@@H](NC(=O)C[N@@H+]1CCOCC[C@@H]1C)C(=O)N1CCCCC1 ZINC000367662227 296048547 /nfs/dbraw/zinc/04/85/47/296048547.db2.gz NRYAWTVPHWJARA-UONOGXRCSA-N 1 2 311.426 0.614 10 0 DCAELO C[C@@H](NC(=O)C[N@H+]1CCOCC[C@@H]1C)C(=O)N1CCCCC1 ZINC000367662227 296048548 /nfs/dbraw/zinc/04/85/48/296048548.db2.gz NRYAWTVPHWJARA-UONOGXRCSA-N 1 2 311.426 0.614 10 0 DCAELO O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N(CCO)C1CCC1 ZINC000566835588 291325142 /nfs/dbraw/zinc/32/51/42/291325142.db2.gz QFLTYQVUGDHOEQ-UHFFFAOYSA-N 1 2 302.334 0.646 10 0 DCAELO O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000408357175 296085059 /nfs/dbraw/zinc/08/50/59/296085059.db2.gz IZPLLGQHUVCRTB-CAOSSQGBSA-N 1 2 317.389 0.606 10 0 DCAELO CC(C)c1nnc(CCC(=O)NC[C@@H](C)[NH+]2CCOCC2)o1 ZINC000019714096 182137309 /nfs/dbraw/zinc/13/73/09/182137309.db2.gz JOLZHKAMMKSNAT-GFCCVEGCSA-N 1 2 310.398 0.963 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)NCCc2cn3ccccc3n2)C1 ZINC000104780526 194038250 /nfs/dbraw/zinc/03/82/50/194038250.db2.gz UUWXBXFFPFNHEN-CQSZACIVSA-N 1 2 317.393 0.507 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)NCCc2cn3ccccc3n2)C1 ZINC000104780526 194038252 /nfs/dbraw/zinc/03/82/52/194038252.db2.gz UUWXBXFFPFNHEN-CQSZACIVSA-N 1 2 317.393 0.507 10 0 DCAELO C[C@H](Cc1ccc(O)cc1)NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000105181411 194081622 /nfs/dbraw/zinc/08/16/22/194081622.db2.gz BVSRQUTWLCRAPN-DOMZBBRYSA-N 1 2 307.394 0.953 10 0 DCAELO C[C@H](Cc1ccc(O)cc1)NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000105181411 194081624 /nfs/dbraw/zinc/08/16/24/194081624.db2.gz BVSRQUTWLCRAPN-DOMZBBRYSA-N 1 2 307.394 0.953 10 0 DCAELO CC(=O)N1CCN(c2cc(N3CCC[C@H]3CO)nc[nH+]2)CC1 ZINC000105785262 194125707 /nfs/dbraw/zinc/12/57/07/194125707.db2.gz GIAJZGYWMDBCGA-ZDUSSCGKSA-N 1 2 305.382 0.106 10 0 DCAELO CC(=O)N1CCN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)CC1 ZINC000105785262 194125709 /nfs/dbraw/zinc/12/57/09/194125709.db2.gz GIAJZGYWMDBCGA-ZDUSSCGKSA-N 1 2 305.382 0.106 10 0 DCAELO CCS(=O)(=O)CC[N@@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000105867930 194149822 /nfs/dbraw/zinc/14/98/22/194149822.db2.gz KVBPJZXHSCRRQP-UHFFFAOYSA-N 1 2 314.455 0.363 10 0 DCAELO CCS(=O)(=O)CC[N@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000105867930 194149824 /nfs/dbraw/zinc/14/98/24/194149824.db2.gz KVBPJZXHSCRRQP-UHFFFAOYSA-N 1 2 314.455 0.363 10 0 DCAELO C[NH+](C)[C@H](Cc1ccccc1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000106429634 194212757 /nfs/dbraw/zinc/21/27/57/194212757.db2.gz SBDNEYWVBNELFX-UONOGXRCSA-N 1 2 310.419 0.463 10 0 DCAELO COCC[N@@H+]1CCN(S(=O)(=O)C[C@@H]2CCCO2)C[C@H]1C ZINC000172262600 532970054 /nfs/dbraw/zinc/97/00/54/532970054.db2.gz LNPXPNIKWNVLDP-OLZOCXBDSA-N 1 2 306.428 0.148 10 0 DCAELO COCC[N@H+]1CCN(S(=O)(=O)C[C@@H]2CCCO2)C[C@H]1C ZINC000172262600 532970057 /nfs/dbraw/zinc/97/00/57/532970057.db2.gz LNPXPNIKWNVLDP-OLZOCXBDSA-N 1 2 306.428 0.148 10 0 DCAELO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@H]2C[C@H]2C)CC1 ZINC000155046582 533196407 /nfs/dbraw/zinc/19/64/07/533196407.db2.gz DDLHCUWYLFQIIF-RDBSUJKOSA-N 1 2 308.426 0.733 10 0 DCAELO CN(C)c1ncc2c(n1)[C@@H]1C[N@@H+](CC3CC3)C[C@@H]1S(=O)(=O)C2 ZINC000248099895 257109742 /nfs/dbraw/zinc/10/97/42/257109742.db2.gz HHLCBGYGSKXRIS-OLZOCXBDSA-N 1 2 322.434 0.649 10 0 DCAELO CN(C)c1ncc2c(n1)[C@@H]1C[N@H+](CC3CC3)C[C@@H]1S(=O)(=O)C2 ZINC000248099895 257109744 /nfs/dbraw/zinc/10/97/44/257109744.db2.gz HHLCBGYGSKXRIS-OLZOCXBDSA-N 1 2 322.434 0.649 10 0 DCAELO CS(=O)(=O)NC[C@@]12COC[C@@H]1C[N@H+](Cc1nccs1)C2 ZINC000247527317 257119334 /nfs/dbraw/zinc/11/93/34/257119334.db2.gz NKRRMCVQPPOKAN-CMPLNLGQSA-N 1 2 317.436 0.141 10 0 DCAELO CS(=O)(=O)NC[C@@]12COC[C@@H]1C[N@@H+](Cc1nccs1)C2 ZINC000247527317 257119336 /nfs/dbraw/zinc/11/93/36/257119336.db2.gz NKRRMCVQPPOKAN-CMPLNLGQSA-N 1 2 317.436 0.141 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cn4ccccc4n3)C[C@@H]21 ZINC000284157437 131054002 /nfs/dbraw/zinc/05/40/02/131054002.db2.gz QSOAKLQPAWLYCO-UONOGXRCSA-N 1 2 300.362 0.879 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cn4ccccc4n3)C[C@@H]21 ZINC000284157437 131054003 /nfs/dbraw/zinc/05/40/03/131054003.db2.gz QSOAKLQPAWLYCO-UONOGXRCSA-N 1 2 300.362 0.879 10 0 DCAELO COc1cccc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)c1O ZINC000284495855 131086725 /nfs/dbraw/zinc/08/67/25/131086725.db2.gz NGCVLLKIUXJQPO-STQMWFEESA-N 1 2 306.362 0.946 10 0 DCAELO Cc1nn(C)c(C)c1CNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000285554166 131180146 /nfs/dbraw/zinc/18/01/46/131180146.db2.gz VHEZRVROBOYNCA-CABCVRRESA-N 1 2 321.425 0.651 10 0 DCAELO Cc1nn(C)c(C)c1CNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000285554166 131180148 /nfs/dbraw/zinc/18/01/48/131180148.db2.gz VHEZRVROBOYNCA-CABCVRRESA-N 1 2 321.425 0.651 10 0 DCAELO Cc1cccc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCOCC2)c1 ZINC000041600495 395738040 /nfs/dbraw/zinc/73/80/40/395738040.db2.gz OVTRFMPUNXXRQF-CYBMUJFWSA-N 1 2 305.378 0.770 10 0 DCAELO C[C@H]1C[NH+](CC(=O)N2CCN(c3cnccn3)CC2)C[C@H](C)O1 ZINC000042242409 395743663 /nfs/dbraw/zinc/74/36/63/395743663.db2.gz DRVCCSNEKCKSNN-KBPBESRZSA-N 1 2 319.409 0.234 10 0 DCAELO CCc1nc(CC(=O)NC[C@H](O)C[NH+]2CCOCC2)cs1 ZINC000097374803 395757454 /nfs/dbraw/zinc/75/74/54/395757454.db2.gz YXNJZIDWQOKIPY-LBPRGKRZSA-N 1 2 313.423 0.057 10 0 DCAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1nc2cccnc2s1 ZINC000193874853 395781273 /nfs/dbraw/zinc/78/12/73/395781273.db2.gz IVRRLKWQWQDFPK-SNVBAGLBSA-N 1 2 322.390 0.114 10 0 DCAELO Cc1ccccc1C(=O)NCC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000194629037 395802842 /nfs/dbraw/zinc/80/28/42/395802842.db2.gz WBJDTMNDLYKTQO-ZDUSSCGKSA-N 1 2 305.378 0.172 10 0 DCAELO Cc1ccccc1C(=O)NCC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000194629037 395802845 /nfs/dbraw/zinc/80/28/45/395802845.db2.gz WBJDTMNDLYKTQO-ZDUSSCGKSA-N 1 2 305.378 0.172 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)CCc2ccc3c(c2)OCCO3)C1 ZINC000194619060 395802916 /nfs/dbraw/zinc/80/29/16/395802916.db2.gz QOCZBEBIAYKXRF-CQSZACIVSA-N 1 2 320.389 0.837 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)CCc2ccc3c(c2)OCCO3)C1 ZINC000194619060 395802919 /nfs/dbraw/zinc/80/29/19/395802919.db2.gz QOCZBEBIAYKXRF-CQSZACIVSA-N 1 2 320.389 0.837 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(Br)cn2)C1 ZINC000112335622 395816475 /nfs/dbraw/zinc/81/64/75/395816475.db2.gz ZZPALUGDPAIYHX-SNVBAGLBSA-N 1 2 314.183 0.905 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)c2ccc(Br)cn2)C1 ZINC000112335622 395816478 /nfs/dbraw/zinc/81/64/78/395816478.db2.gz ZZPALUGDPAIYHX-SNVBAGLBSA-N 1 2 314.183 0.905 10 0 DCAELO CO[C@H](C)CS(=O)(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000195342182 395825714 /nfs/dbraw/zinc/82/57/14/395825714.db2.gz YWGARRGGYKQTSL-XQQFMLRXSA-N 1 2 306.428 0.004 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@](C)(O)c2ccccc2)C1 ZINC000114526730 395835390 /nfs/dbraw/zinc/83/53/90/395835390.db2.gz CHOWQQZGBDQFHU-GDBMZVCRSA-N 1 2 307.394 0.524 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)NC[C@@](C)(O)c2ccccc2)C1 ZINC000114526730 395835394 /nfs/dbraw/zinc/83/53/94/395835394.db2.gz CHOWQQZGBDQFHU-GDBMZVCRSA-N 1 2 307.394 0.524 10 0 DCAELO Cc1ccc(C)c(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000118115901 395860576 /nfs/dbraw/zinc/86/05/76/395860576.db2.gz WVYRHDJQDXHBFO-CYBMUJFWSA-N 1 2 305.378 0.689 10 0 DCAELO Cc1ccc(C)c(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000118115901 395860579 /nfs/dbraw/zinc/86/05/79/395860579.db2.gz WVYRHDJQDXHBFO-CYBMUJFWSA-N 1 2 305.378 0.689 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)NC[C@]2(O)CCc3ccccc32)C1 ZINC000125682206 395904948 /nfs/dbraw/zinc/90/49/48/395904948.db2.gz LHDTWHFFJDZQKJ-RHSMWYFYSA-N 1 2 319.405 0.450 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)NC[C@]2(O)CCc3ccccc32)C1 ZINC000125682206 395904952 /nfs/dbraw/zinc/90/49/52/395904952.db2.gz LHDTWHFFJDZQKJ-RHSMWYFYSA-N 1 2 319.405 0.450 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)c2cccc(-c3nc[nH]n3)c2)C1 ZINC000119855026 395877392 /nfs/dbraw/zinc/87/73/92/395877392.db2.gz XNRJDSKSACMNSP-CYBMUJFWSA-N 1 2 301.350 0.532 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)c2cccc(-c3nc[nH]n3)c2)C1 ZINC000119855026 395877394 /nfs/dbraw/zinc/87/73/94/395877394.db2.gz XNRJDSKSACMNSP-CYBMUJFWSA-N 1 2 301.350 0.532 10 0 DCAELO CCS(=O)(=O)NCC[N@H+]1[C@H](C(=O)OC)C[C@@H]2CCCC[C@@H]21 ZINC000246043438 395940293 /nfs/dbraw/zinc/94/02/93/395940293.db2.gz SEAWOEMSBVFWRZ-AVGNSLFASA-N 1 2 318.439 0.732 10 0 DCAELO CCS(=O)(=O)NCC[N@@H+]1[C@H](C(=O)OC)C[C@@H]2CCCC[C@@H]21 ZINC000246043438 395940296 /nfs/dbraw/zinc/94/02/96/395940296.db2.gz SEAWOEMSBVFWRZ-AVGNSLFASA-N 1 2 318.439 0.732 10 0 DCAELO COc1cccc([C@@H]2C[C@H]2C(=O)NC[C@H]2C[NH+]3CCN2CC3)c1 ZINC000246103137 395941392 /nfs/dbraw/zinc/94/13/92/395941392.db2.gz LOUSCTJATXUTTA-BHYGNILZSA-N 1 2 315.417 0.915 10 0 DCAELO C[C@H]1CN(CC(=O)N(C)c2nccs2)C[C@H]1[NH+]1CCOCC1 ZINC000246294143 395946124 /nfs/dbraw/zinc/94/61/24/395946124.db2.gz BFOZJZDFMMQQRE-QWHCGFSZSA-N 1 2 324.450 0.758 10 0 DCAELO C[C@H]1C[N@H+](CC(=O)N(C)c2nccs2)C[C@H]1N1CCOCC1 ZINC000246294143 395946128 /nfs/dbraw/zinc/94/61/28/395946128.db2.gz BFOZJZDFMMQQRE-QWHCGFSZSA-N 1 2 324.450 0.758 10 0 DCAELO C[C@H]1C[N@@H+](CC(=O)N(C)c2nccs2)C[C@H]1N1CCOCC1 ZINC000246294143 395946132 /nfs/dbraw/zinc/94/61/32/395946132.db2.gz BFOZJZDFMMQQRE-QWHCGFSZSA-N 1 2 324.450 0.758 10 0 DCAELO C[C@@H]1CN(CC(=O)NCC(F)(F)F)C[C@H]1[NH+]1CCOCC1 ZINC000246410727 395949125 /nfs/dbraw/zinc/94/91/25/395949125.db2.gz JZYNGFGDWGLKMN-GHMZBOCLSA-N 1 2 309.332 0.317 10 0 DCAELO C[C@@H]1C[N@H+](CC(=O)NCC(F)(F)F)C[C@H]1N1CCOCC1 ZINC000246410727 395949127 /nfs/dbraw/zinc/94/91/27/395949127.db2.gz JZYNGFGDWGLKMN-GHMZBOCLSA-N 1 2 309.332 0.317 10 0 DCAELO C[C@@H]1C[N@@H+](CC(=O)NCC(F)(F)F)C[C@H]1N1CCOCC1 ZINC000246410727 395949129 /nfs/dbraw/zinc/94/91/29/395949129.db2.gz JZYNGFGDWGLKMN-GHMZBOCLSA-N 1 2 309.332 0.317 10 0 DCAELO COC[C@H](C)S(=O)(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000246571977 395952682 /nfs/dbraw/zinc/95/26/82/395952682.db2.gz SPHIDWJBGQSTFM-FRRDWIJNSA-N 1 2 306.428 0.004 10 0 DCAELO CO[C@@H]1CC[C@H]2OCC[N@H+](CC(=O)NCc3cccnc3)[C@H]2C1 ZINC000246956585 395961813 /nfs/dbraw/zinc/96/18/13/395961813.db2.gz SMWFNOFHARFZIO-OWCLPIDISA-N 1 2 319.405 0.966 10 0 DCAELO CO[C@@H]1CC[C@H]2OCC[N@@H+](CC(=O)NCc3cccnc3)[C@H]2C1 ZINC000246956585 395961816 /nfs/dbraw/zinc/96/18/16/395961816.db2.gz SMWFNOFHARFZIO-OWCLPIDISA-N 1 2 319.405 0.966 10 0 DCAELO CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCN3CCCC[C@H]3C2)CC1 ZINC000248370221 395985574 /nfs/dbraw/zinc/98/55/74/395985574.db2.gz XEUIUNXNFUAOOZ-HOCLYGCPSA-N 1 2 322.453 0.236 10 0 DCAELO CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCN3CCCC[C@H]3C2)CC1 ZINC000248370221 395985576 /nfs/dbraw/zinc/98/55/76/395985576.db2.gz XEUIUNXNFUAOOZ-HOCLYGCPSA-N 1 2 322.453 0.236 10 0 DCAELO Cn1ccnc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)[C@@H]1CCOC1=O ZINC000276231088 395989293 /nfs/dbraw/zinc/98/92/93/395989293.db2.gz DZONTRYUZZNNQQ-RWMBFGLXSA-N 1 2 310.373 0.580 10 0 DCAELO Cc1cccc(O[C@@H](C)C(=O)NC[C@H](O)C[NH+]2CCOCC2)c1 ZINC000154136011 396032047 /nfs/dbraw/zinc/03/20/47/396032047.db2.gz FKSDIBUTTOSSHB-GJZGRUSLSA-N 1 2 322.405 0.572 10 0 DCAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1ccc(Cl)cc1O ZINC000154139849 396032094 /nfs/dbraw/zinc/03/20/94/396032094.db2.gz GECVRXIEPKSSOL-NSHDSACASA-N 1 2 314.769 0.469 10 0 DCAELO Cc1cccc(O[C@H](C)C(=O)NC[C@H](O)C[NH+]2CCOCC2)c1 ZINC000154136102 396032407 /nfs/dbraw/zinc/03/24/07/396032407.db2.gz FKSDIBUTTOSSHB-CABCVRRESA-N 1 2 322.405 0.572 10 0 DCAELO COc1ccc(C(=O)NCc2cccnc2-n2cc[nH+]c2)nn1 ZINC000155739376 396057380 /nfs/dbraw/zinc/05/73/80/396057380.db2.gz HURFNIHGRPYFGN-UHFFFAOYSA-N 1 2 310.317 0.996 10 0 DCAELO CCn1nccc1S(=O)(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261831430 396070211 /nfs/dbraw/zinc/07/02/11/396070211.db2.gz OHSIAXKMZSCVRS-ZDUSSCGKSA-N 1 2 321.406 0.633 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC(c3cccnc3)=NO2)C1 ZINC000250356271 396014238 /nfs/dbraw/zinc/01/42/38/396014238.db2.gz LLIUZLWVDRYIOR-TZMCWYRMSA-N 1 2 304.350 0.021 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC(c3cccnc3)=NO2)C1 ZINC000250356271 396014242 /nfs/dbraw/zinc/01/42/42/396014242.db2.gz LLIUZLWVDRYIOR-TZMCWYRMSA-N 1 2 304.350 0.021 10 0 DCAELO CCn1cc(C[N@H+]2CCc3nn(CC4CC4)c(=O)n3CC2)cn1 ZINC000169783653 396092699 /nfs/dbraw/zinc/09/26/99/396092699.db2.gz NUCIDVSBERDMMR-UHFFFAOYSA-N 1 2 316.409 0.730 10 0 DCAELO CCn1cc(C[N@@H+]2CCc3nn(CC4CC4)c(=O)n3CC2)cn1 ZINC000169783653 396092702 /nfs/dbraw/zinc/09/27/02/396092702.db2.gz NUCIDVSBERDMMR-UHFFFAOYSA-N 1 2 316.409 0.730 10 0 DCAELO c1nc(N2CCO[C@]3(CCOC3)C2)cc(N2CCOCC2)[nH+]1 ZINC000277975463 396098642 /nfs/dbraw/zinc/09/86/42/396098642.db2.gz ZCCATUXJAOVYDJ-OAHLLOKOSA-N 1 2 306.366 0.309 10 0 DCAELO c1nc(N2CCOCC2)cc(N2CCO[C@]3(CCOC3)C2)[nH+]1 ZINC000277975463 396098645 /nfs/dbraw/zinc/09/86/45/396098645.db2.gz ZCCATUXJAOVYDJ-OAHLLOKOSA-N 1 2 306.366 0.309 10 0 DCAELO C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2cccc(F)c2F)C1 ZINC000171094488 396106546 /nfs/dbraw/zinc/10/65/46/396106546.db2.gz BKXUCJOXEISLQQ-SECBINFHSA-N 1 2 306.334 0.574 10 0 DCAELO C[N@H+]1CCO[C@H](CNS(=O)(=O)c2cccc(F)c2F)C1 ZINC000171094488 396106547 /nfs/dbraw/zinc/10/65/47/396106547.db2.gz BKXUCJOXEISLQQ-SECBINFHSA-N 1 2 306.334 0.574 10 0 DCAELO CC(=O)Nc1cc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)ccc1F ZINC000171286314 396113060 /nfs/dbraw/zinc/11/30/60/396113060.db2.gz ZRTWGODXDSYTKE-GFCCVEGCSA-N 1 2 309.341 0.845 10 0 DCAELO CC(=O)Nc1cc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)ccc1F ZINC000171286314 396113062 /nfs/dbraw/zinc/11/30/62/396113062.db2.gz ZRTWGODXDSYTKE-GFCCVEGCSA-N 1 2 309.341 0.845 10 0 DCAELO COC[C@@H](C)S(=O)(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000173892991 396136084 /nfs/dbraw/zinc/13/60/84/396136084.db2.gz MPGKNPDKXQMOSL-ZIAGYGMSSA-N 1 2 320.455 0.538 10 0 DCAELO O=C1[C@H]([N@@H+]2CC[C@@H](N3CCOCC3)C2)CCN1CC(F)(F)F ZINC000173948819 396136901 /nfs/dbraw/zinc/13/69/01/396136901.db2.gz SROSOZACGAGQNS-VXGBXAGGSA-N 1 2 321.343 0.556 10 0 DCAELO O=C1[C@H]([N@H+]2CC[C@@H](N3CCOCC3)C2)CCN1CC(F)(F)F ZINC000173948819 396136905 /nfs/dbraw/zinc/13/69/05/396136905.db2.gz SROSOZACGAGQNS-VXGBXAGGSA-N 1 2 321.343 0.556 10 0 DCAELO O=C1[C@H](N2CC[C@@H]([NH+]3CCOCC3)C2)CCN1CC(F)(F)F ZINC000173948819 396136906 /nfs/dbraw/zinc/13/69/06/396136906.db2.gz SROSOZACGAGQNS-VXGBXAGGSA-N 1 2 321.343 0.556 10 0 DCAELO O=S(=O)(N1CC[C@@H]([NH+]2CCOCC2)C1)N1CCCCCC1 ZINC000173998089 396137074 /nfs/dbraw/zinc/13/70/74/396137074.db2.gz DLRMQHARULTKPS-CQSZACIVSA-N 1 2 317.455 0.514 10 0 DCAELO Cn1c[nH+]c2c1CCN(CC(=O)N1CCO[C@H]3CCCC[C@@H]31)C2 ZINC000069490018 396080403 /nfs/dbraw/zinc/08/04/03/396080403.db2.gz UPIJYPJXNRRKOL-HOTGVXAUSA-N 1 2 318.421 0.948 10 0 DCAELO CCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263222550 396206889 /nfs/dbraw/zinc/20/68/89/396206889.db2.gz MDQBUKHWRGESMY-MNOVXSKESA-N 1 2 303.353 0.891 10 0 DCAELO O=C([C@@H]1CCCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1)N1CCCC1 ZINC000263251077 396209476 /nfs/dbraw/zinc/20/94/76/396209476.db2.gz PXYUHNDSFBMLGP-VXGBXAGGSA-N 1 2 315.364 0.845 10 0 DCAELO CC1CCC(NC(=O)CN2CC[NH+]([C@@H]3CCNC3=O)CC2)CC1 ZINC000178302015 396193043 /nfs/dbraw/zinc/19/30/43/396193043.db2.gz YSNLNXILVSKDSX-YMAMQOFZSA-N 1 2 322.453 0.187 10 0 DCAELO Cc1nnc([C@@H]2CN(C(=O)[C@@H]3CC(F)(F)C[NH2+]3)CCO2)[nH]1 ZINC000262960295 396194645 /nfs/dbraw/zinc/19/46/45/396194645.db2.gz KRVBEFZGXZXGRE-IUCAKERBSA-N 1 2 301.297 0.010 10 0 DCAELO Cc1nc([C@@H]2CN(C(=O)[C@@H]3CC(F)(F)C[NH2+]3)CCO2)n[nH]1 ZINC000262960295 396194651 /nfs/dbraw/zinc/19/46/51/396194651.db2.gz KRVBEFZGXZXGRE-IUCAKERBSA-N 1 2 301.297 0.010 10 0 DCAELO O=C(CNC(=O)[C@H]1CC(F)(F)C[NH2+]1)Nc1ccc(F)cc1 ZINC000263055592 396199974 /nfs/dbraw/zinc/19/99/74/396199974.db2.gz UXDBYJUOZXNWQK-SNVBAGLBSA-N 1 2 301.268 0.878 10 0 DCAELO CC(C)C(=O)NC1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263052538 396200083 /nfs/dbraw/zinc/20/00/83/396200083.db2.gz UQEVHJYVLIORGS-NSHDSACASA-N 1 2 303.353 0.747 10 0 DCAELO Cn1cc([C@@H]2C[NH2+]CCN2S(=O)(=O)c2ccc(F)cc2)cn1 ZINC000181702800 396241592 /nfs/dbraw/zinc/24/15/92/396241592.db2.gz STMVZCRTCGMLAA-AWEZNQCLSA-N 1 2 324.381 0.894 10 0 DCAELO C[C@H]1CN(C(=O)c2cccc3n[nH]nc32)C[C@@H]1[NH+]1CCOCC1 ZINC000182787969 396254520 /nfs/dbraw/zinc/25/45/20/396254520.db2.gz FWZSHVKZRUPCBM-FZMZJTMJSA-N 1 2 315.377 0.751 10 0 DCAELO C[C@H]1CN(C(=O)c2cccc3nn[nH]c32)C[C@@H]1[NH+]1CCOCC1 ZINC000182787969 396254523 /nfs/dbraw/zinc/25/45/23/396254523.db2.gz FWZSHVKZRUPCBM-FZMZJTMJSA-N 1 2 315.377 0.751 10 0 DCAELO CCS(=O)(=O)CC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000180103304 396231250 /nfs/dbraw/zinc/23/12/50/396231250.db2.gz UOONLEJZGFUWFR-DZGCQCFKSA-N 1 2 310.419 0.983 10 0 DCAELO CCS(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000180103304 396231252 /nfs/dbraw/zinc/23/12/52/396231252.db2.gz UOONLEJZGFUWFR-DZGCQCFKSA-N 1 2 310.419 0.983 10 0 DCAELO COCC(=O)NC1C[NH+](C[C@@H](O)COc2ccc(F)cc2)C1 ZINC000185089765 396316895 /nfs/dbraw/zinc/31/68/95/396316895.db2.gz SWPRJQUTURSEJW-CYBMUJFWSA-N 1 2 312.341 0.012 10 0 DCAELO COc1cc(N2CC[NH+]([C@H](C)C(=O)N(C)C(C)C)CC2)ncn1 ZINC000184093152 396285686 /nfs/dbraw/zinc/28/56/86/396285686.db2.gz SUBGWMAVEHEVCQ-CYBMUJFWSA-N 1 2 321.425 0.863 10 0 DCAELO O=C(N1CCCN(c2cccc[nH+]2)CC1)[C@@]1(O)CCSC1 ZINC000184227595 396288542 /nfs/dbraw/zinc/28/85/42/396288542.db2.gz FTVTXLAAXWIECV-OAHLLOKOSA-N 1 2 307.419 0.988 10 0 DCAELO C[C@H]([NH2+]CC(=O)N1CCNC1=O)c1cn(-c2ccccc2)nn1 ZINC000185473949 396328574 /nfs/dbraw/zinc/32/85/74/396328574.db2.gz BPLNCXIECOMOMB-NSHDSACASA-N 1 2 314.349 0.470 10 0 DCAELO O=C(CS[C@@H]1CCS(=O)(=O)C1)N1CC[NH+]2CCC1CC2 ZINC000188629926 396383393 /nfs/dbraw/zinc/38/33/93/396383393.db2.gz UKPMJGCLVXROSF-GFCCVEGCSA-N 1 2 318.464 0.213 10 0 DCAELO CN(C)S(=O)(=O)[C@@H]1CCCN(c2[nH+]cnc3c2cnn3C)C1 ZINC000286342826 396389316 /nfs/dbraw/zinc/38/93/16/396389316.db2.gz CFLGVPGLLDZPPB-SNVBAGLBSA-N 1 2 324.410 0.224 10 0 DCAELO COc1ccnc(N2CC[NH+](C[C@H](O)CC(F)(F)F)CC2)n1 ZINC000189127449 396391354 /nfs/dbraw/zinc/39/13/54/396391354.db2.gz ZLRGYMHMXORNGS-SNVBAGLBSA-N 1 2 320.315 0.921 10 0 DCAELO CNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189708077 396397723 /nfs/dbraw/zinc/39/77/23/396397723.db2.gz DVCOETLNJRTMIH-SNVBAGLBSA-N 1 2 320.397 0.253 10 0 DCAELO CCC(CC)NC(=O)[C@H](C)[N@@H+]1CCCN(CCOC)C(=O)C1 ZINC000190772319 396410835 /nfs/dbraw/zinc/41/08/35/396410835.db2.gz 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/nfs/dbraw/zinc/62/76/92/396627692.db2.gz HEZPBQPWADCKBA-UHFFFAOYSA-N 1 2 302.334 0.504 10 0 DCAELO CC(C)(C)[C@@H](CO)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000562454739 396665484 /nfs/dbraw/zinc/66/54/84/396665484.db2.gz PRGQGAOZEIVLTC-LLVKDONJSA-N 1 2 304.350 0.796 10 0 DCAELO O=C(C[N@@H+]1CCN2CCOC[C@@H]2C1)N(C1CC1)C1CCCC1 ZINC000375240992 396721112 /nfs/dbraw/zinc/72/11/12/396721112.db2.gz JRWQCMBSOSQZHL-INIZCTEOSA-N 1 2 307.438 0.936 10 0 DCAELO O=C(C[N@H+]1CCN2CCOC[C@@H]2C1)N(C1CC1)C1CCCC1 ZINC000375240992 396721115 /nfs/dbraw/zinc/72/11/15/396721115.db2.gz JRWQCMBSOSQZHL-INIZCTEOSA-N 1 2 307.438 0.936 10 0 DCAELO CCN1CCN(C(=O)C2=NN(C)C(=O)CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000328621971 396824229 /nfs/dbraw/zinc/82/42/29/396824229.db2.gz IDFDTBJSNQEYFF-GFCCVEGCSA-N 1 2 318.381 0.223 10 0 DCAELO CCn1cnnc1[C@@H]1C[N@H+](C[C@H](O)COCC(C)C)CCO1 ZINC000328653084 396830946 /nfs/dbraw/zinc/83/09/46/396830946.db2.gz WSXXBJXODJWYDM-KBPBESRZSA-N 1 2 312.414 0.705 10 0 DCAELO 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397333565 /nfs/dbraw/zinc/33/35/65/397333565.db2.gz VEJGEAYKRSJEDB-SECBINFHSA-N 1 2 304.334 0.315 10 0 DCAELO CCS(=O)(=O)NCC[N@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000407951458 397333569 /nfs/dbraw/zinc/33/35/69/397333569.db2.gz VEJGEAYKRSJEDB-SECBINFHSA-N 1 2 304.334 0.315 10 0 DCAELO C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000408189767 397349550 /nfs/dbraw/zinc/34/95/50/397349550.db2.gz PTVZQTKLMUIBRP-UFBFGSQYSA-N 1 2 323.315 0.752 10 0 DCAELO C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000408189767 397349558 /nfs/dbraw/zinc/34/95/58/397349558.db2.gz PTVZQTKLMUIBRP-UFBFGSQYSA-N 1 2 323.315 0.752 10 0 DCAELO CO[C@@H]1C[N@H+](CC(=O)Nc2nc3c(s2)CCC3)C[C@@H]1OC ZINC000488032127 397483850 /nfs/dbraw/zinc/48/38/50/397483850.db2.gz NCZSGPIMMQIRJT-PHIMTYICSA-N 1 2 311.407 0.916 10 0 DCAELO CO[C@@H]1C[N@@H+](CC(=O)Nc2nc3c(s2)CCC3)C[C@@H]1OC ZINC000488032127 397483855 /nfs/dbraw/zinc/48/38/55/397483855.db2.gz NCZSGPIMMQIRJT-PHIMTYICSA-N 1 2 311.407 0.916 10 0 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/nfs/dbraw/zinc/13/85/08/158138508.db2.gz BCYNLXOPLNWSBT-CYBMUJFWSA-N 1 2 302.371 0.576 10 0 DCAELO C[N@H+]1CCO[C@H](CNS(=O)(=O)Cc2cccc(F)c2)C1 ZINC000109341686 158138509 /nfs/dbraw/zinc/13/85/09/158138509.db2.gz BCYNLXOPLNWSBT-CYBMUJFWSA-N 1 2 302.371 0.576 10 0 DCAELO CC(C)CCC(=O)NCC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000114858036 158157065 /nfs/dbraw/zinc/15/70/65/158157065.db2.gz QNGMBEQCDVSKLT-CQSZACIVSA-N 1 2 311.426 0.518 10 0 DCAELO CC(C)CCC(=O)NCC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000114858036 158157068 /nfs/dbraw/zinc/15/70/68/158157068.db2.gz QNGMBEQCDVSKLT-CQSZACIVSA-N 1 2 311.426 0.518 10 0 DCAELO CCCN(CCC)C(=O)C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116887812 158167612 /nfs/dbraw/zinc/16/76/12/158167612.db2.gz DPMBFZVLRUXEIQ-LBPRGKRZSA-N 1 2 305.444 0.259 10 0 DCAELO CCCN(CCC)C(=O)C[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116887812 158167613 /nfs/dbraw/zinc/16/76/13/158167613.db2.gz DPMBFZVLRUXEIQ-LBPRGKRZSA-N 1 2 305.444 0.259 10 0 DCAELO CC[C@H]1CN(S(=O)(=O)[C@@H](C)COC)CC[N@@H+]1CCOC ZINC000117925423 158174605 /nfs/dbraw/zinc/17/46/05/158174605.db2.gz NFOCWNNJPNLGBL-STQMWFEESA-N 1 2 308.444 0.394 10 0 DCAELO CC[C@H]1CN(S(=O)(=O)[C@@H](C)COC)CC[N@H+]1CCOC ZINC000117925423 158174606 /nfs/dbraw/zinc/17/46/06/158174606.db2.gz NFOCWNNJPNLGBL-STQMWFEESA-N 1 2 308.444 0.394 10 0 DCAELO C[C@H](CNC(=O)N[C@@H](CO)Cc1ccccc1)[NH+]1CCOCC1 ZINC000123156251 158226763 /nfs/dbraw/zinc/22/67/63/158226763.db2.gz AWGYCJMVHJXXLP-GDBMZVCRSA-N 1 2 321.421 0.610 10 0 DCAELO O=C(NOCc1cccnc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000126844051 158268709 /nfs/dbraw/zinc/26/87/09/158268709.db2.gz CZPGKPUILMYGPG-CQSZACIVSA-N 1 2 306.366 0.629 10 0 DCAELO CC(=O)N1CCC[C@@H](C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000127408163 158273119 /nfs/dbraw/zinc/27/31/19/158273119.db2.gz UXYVMQHUKVNAQP-HIFRSBDPSA-N 1 2 309.410 0.224 10 0 DCAELO CC(=O)N1CCC[C@@H](C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000127408163 158273120 /nfs/dbraw/zinc/27/31/20/158273120.db2.gz UXYVMQHUKVNAQP-HIFRSBDPSA-N 1 2 309.410 0.224 10 0 DCAELO CN(C)c1ccnc(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000127574935 158273944 /nfs/dbraw/zinc/27/39/44/158273944.db2.gz XITVTBKTBUHYPR-AWEZNQCLSA-N 1 2 304.394 0.741 10 0 DCAELO CN(C)c1ccnc(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000127574935 158273945 /nfs/dbraw/zinc/27/39/45/158273945.db2.gz XITVTBKTBUHYPR-AWEZNQCLSA-N 1 2 304.394 0.741 10 0 DCAELO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1n[nH]c2c1CCCC2 ZINC000127465087 158274081 /nfs/dbraw/zinc/27/40/81/158274081.db2.gz CRXBJDQUNYDNNT-LBPRGKRZSA-N 1 2 304.394 0.882 10 0 DCAELO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1n[nH]c2c1CCCC2 ZINC000127465087 158274083 /nfs/dbraw/zinc/27/40/83/158274083.db2.gz CRXBJDQUNYDNNT-LBPRGKRZSA-N 1 2 304.394 0.882 10 0 DCAELO C[C@H](Cc1ccccc1)C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000132276818 158309517 /nfs/dbraw/zinc/30/95/17/158309517.db2.gz VDTMEVHADGWBHK-ZBFHGGJFSA-N 1 2 306.406 0.675 10 0 DCAELO CCn1cc[nH+]c1CN1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000135691783 158340161 /nfs/dbraw/zinc/34/01/61/158340161.db2.gz YRFOZLDPCCQWQQ-CYBMUJFWSA-N 1 2 312.439 0.903 10 0 DCAELO C[C@@H](CS(C)(=O)=O)NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172275086 158392937 /nfs/dbraw/zinc/39/29/37/158392937.db2.gz MLCDBQLEVQKBGI-NWDGAFQWSA-N 1 2 303.428 0.299 10 0 DCAELO C[C@@H](CS(C)(=O)=O)NC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000172275086 158392940 /nfs/dbraw/zinc/39/29/40/158392940.db2.gz MLCDBQLEVQKBGI-NWDGAFQWSA-N 1 2 303.428 0.299 10 0 DCAELO CN(C)C(=O)CCNC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186528967 158531925 /nfs/dbraw/zinc/53/19/25/158531925.db2.gz NFQRFGQCNNMQEA-UHFFFAOYSA-N 1 2 319.409 0.782 10 0 DCAELO CO[C@H](C(=O)N1CC[NH2+][C@H](c2cccnc2)C1)c1cnn(C)c1 ZINC000328660926 159017680 /nfs/dbraw/zinc/01/76/80/159017680.db2.gz WEWBMZKEAZHDQC-GJZGRUSLSA-N 1 2 315.377 0.676 10 0 DCAELO C[C@H](C(=O)N1CC[NH2+][C@H](c2cccnc2)C1)N1CCOCC1 ZINC000328660475 159017963 /nfs/dbraw/zinc/01/79/63/159017963.db2.gz VLJIEOZWKCQDTC-HIFRSBDPSA-N 1 2 304.394 0.275 10 0 DCAELO Cc1nc(C)n(C[C@@H]2C[N@H+](CC(=O)N(C)C3CC3)CCO2)n1 ZINC000328669269 159018846 /nfs/dbraw/zinc/01/88/46/159018846.db2.gz FCUGNRSCFIDBAE-AWEZNQCLSA-N 1 2 307.398 0.217 10 0 DCAELO Cc1nc(C)n(C[C@@H]2C[N@@H+](CC(=O)N(C)C3CC3)CCO2)n1 ZINC000328669269 159018848 /nfs/dbraw/zinc/01/88/48/159018848.db2.gz FCUGNRSCFIDBAE-AWEZNQCLSA-N 1 2 307.398 0.217 10 0 DCAELO C[C@H](C(=O)N1CCC(Cn2ccnn2)CC1)[NH+]1CCOCC1 ZINC000328751467 159026549 /nfs/dbraw/zinc/02/65/49/159026549.db2.gz RNFSLWBGNQQKRX-CYBMUJFWSA-N 1 2 307.398 0.237 10 0 DCAELO C[C@@H]1CCCN(S(=O)(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)C1 ZINC000328857366 159035206 /nfs/dbraw/zinc/03/52/06/159035206.db2.gz XVEKPGJXWYWHBF-MGPQQGTHSA-N 1 2 317.455 0.368 10 0 DCAELO C[C@@H]1CCCN(S(=O)(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)C1 ZINC000328857366 159035208 /nfs/dbraw/zinc/03/52/08/159035208.db2.gz XVEKPGJXWYWHBF-MGPQQGTHSA-N 1 2 317.455 0.368 10 0 DCAELO CCC(=O)N1CC[C@H](C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)C1 ZINC000328892041 159038255 /nfs/dbraw/zinc/03/82/55/159038255.db2.gz SVQPNPOYXHNDGM-MELADBBJSA-N 1 2 309.410 0.176 10 0 DCAELO CCC(=O)N1CC[C@H](C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)C1 ZINC000328892041 159038256 /nfs/dbraw/zinc/03/82/56/159038256.db2.gz SVQPNPOYXHNDGM-MELADBBJSA-N 1 2 309.410 0.176 10 0 DCAELO COc1ccc2nc(CN3CC[C@@H]4OCC[N@H+](C)[C@H]4C3)[nH]c2n1 ZINC000328930120 159043285 /nfs/dbraw/zinc/04/32/85/159043285.db2.gz YYCVCUZUSIRSDX-STQMWFEESA-N 1 2 317.393 0.871 10 0 DCAELO COc1ccc2nc(CN3CC[C@@H]4OCC[N@@H+](C)[C@H]4C3)[nH]c2n1 ZINC000328930120 159043287 /nfs/dbraw/zinc/04/32/87/159043287.db2.gz YYCVCUZUSIRSDX-STQMWFEESA-N 1 2 317.393 0.871 10 0 DCAELO COc1ccc2nc(C[N@@H+]3CC[C@@H]4OCCN(C)[C@H]4C3)[nH]c2n1 ZINC000328930120 159043289 /nfs/dbraw/zinc/04/32/89/159043289.db2.gz YYCVCUZUSIRSDX-STQMWFEESA-N 1 2 317.393 0.871 10 0 DCAELO COc1ccc2nc(C[N@H+]3CC[C@@H]4OCCN(C)[C@H]4C3)[nH]c2n1 ZINC000328930120 159043290 /nfs/dbraw/zinc/04/32/90/159043290.db2.gz YYCVCUZUSIRSDX-STQMWFEESA-N 1 2 317.393 0.871 10 0 DCAELO CN1CC[C@H]([N@H+](C)CC(=O)N2CCO[C@@H]3CCCC[C@H]32)C1=O ZINC000329054361 159055621 /nfs/dbraw/zinc/05/56/21/159055621.db2.gz HUFPWCSCEUEJSK-HZSPNIEDSA-N 1 2 309.410 0.319 10 0 DCAELO CN1CC[C@H]([N@@H+](C)CC(=O)N2CCO[C@@H]3CCCC[C@H]32)C1=O ZINC000329054361 159055623 /nfs/dbraw/zinc/05/56/23/159055623.db2.gz HUFPWCSCEUEJSK-HZSPNIEDSA-N 1 2 309.410 0.319 10 0 DCAELO C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)C1 ZINC000329194449 159072683 /nfs/dbraw/zinc/07/26/83/159072683.db2.gz SXOQANDNHPKUFM-RFQIPJPRSA-N 1 2 314.451 0.610 10 0 DCAELO C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)C1 ZINC000329194449 159072685 /nfs/dbraw/zinc/07/26/85/159072685.db2.gz SXOQANDNHPKUFM-RFQIPJPRSA-N 1 2 314.451 0.610 10 0 DCAELO C[C@H]1C[C@@H](S(=O)(=O)NCC[N@@H+]2CCOC(C)(C)C2)CCO1 ZINC000329581314 159104591 /nfs/dbraw/zinc/10/45/91/159104591.db2.gz LFZXSLQZCZYSPL-STQMWFEESA-N 1 2 320.455 0.584 10 0 DCAELO C[C@H]1C[C@@H](S(=O)(=O)NCC[N@H+]2CCOC(C)(C)C2)CCO1 ZINC000329581314 159104593 /nfs/dbraw/zinc/10/45/93/159104593.db2.gz LFZXSLQZCZYSPL-STQMWFEESA-N 1 2 320.455 0.584 10 0 DCAELO CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000329850861 159123493 /nfs/dbraw/zinc/12/34/93/159123493.db2.gz ZZBWRZUAZNSELI-CABCVRRESA-N 1 2 309.410 0.321 10 0 DCAELO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CCNC(=O)[C@H]1C)CCC2 ZINC000332696207 159210547 /nfs/dbraw/zinc/21/05/47/159210547.db2.gz YBPMAAWEWVOIGZ-VXGBXAGGSA-N 1 2 305.382 0.599 10 0 DCAELO C[C@@H](NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1cnn(C)c1 ZINC000332908163 159216194 /nfs/dbraw/zinc/21/61/94/159216194.db2.gz UNSBCVUQJWGTIC-TZMCWYRMSA-N 1 2 307.398 0.597 10 0 DCAELO CCC(=O)N[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCN(C)CC2)C1 ZINC000407979233 160001337 /nfs/dbraw/zinc/00/13/37/160001337.db2.gz SXPHZTBMZYXUTO-UONOGXRCSA-N 1 2 310.442 0.140 10 0 DCAELO C[C@@H]1C[C@H](CNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)CCO1 ZINC000408020227 160013529 /nfs/dbraw/zinc/01/35/29/160013529.db2.gz CKVKFUOPFJBBOV-KBUPBQIOSA-N 1 2 311.426 0.916 10 0 DCAELO C[C@@H]1C[C@H](CNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)CCO1 ZINC000408020227 160013531 /nfs/dbraw/zinc/01/35/31/160013531.db2.gz CKVKFUOPFJBBOV-KBUPBQIOSA-N 1 2 311.426 0.916 10 0 DCAELO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1C[C@@H](C)O[C@H](CO)C1 ZINC000408048687 160023109 /nfs/dbraw/zinc/02/31/09/160023109.db2.gz ZUZKUFUSGIVJAX-APIJFGDWSA-N 1 2 319.405 0.762 10 0 DCAELO C[C@H](O)CC(C)(C)CNC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000408052304 160023617 /nfs/dbraw/zinc/02/36/17/160023617.db2.gz LCHMZSQAIRREDK-MELADBBJSA-N 1 2 313.442 0.898 10 0 DCAELO C[C@H](O)CC(C)(C)CNC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000408052304 160023618 /nfs/dbraw/zinc/02/36/18/160023618.db2.gz LCHMZSQAIRREDK-MELADBBJSA-N 1 2 313.442 0.898 10 0 DCAELO C[C@@H]1CN(C(=O)c2cnc(N(C)C)cn2)C[C@H]1[NH+]1CCOCC1 ZINC000408080587 160031550 /nfs/dbraw/zinc/03/15/50/160031550.db2.gz NXHMUUBPFVHLCF-TZMCWYRMSA-N 1 2 319.409 0.335 10 0 DCAELO Cc1cnc(C(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)c(O)c1 ZINC000408106992 160037018 /nfs/dbraw/zinc/03/70/18/160037018.db2.gz MPSJKWUPXSYMIA-LBPRGKRZSA-N 1 2 315.377 0.958 10 0 DCAELO CC(C)(C)[C@@H]1CCN(C(=O)NCC[NH+]2CCOCC2)C[C@H]1O ZINC000408148652 160048601 /nfs/dbraw/zinc/04/86/01/160048601.db2.gz HOXHUAODDPFVFC-ZIAGYGMSSA-N 1 2 313.442 0.757 10 0 DCAELO COCC[C@H](C)S(=O)(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000408243285 160067638 /nfs/dbraw/zinc/06/76/38/160067638.db2.gz FRUSMXNEUBQADQ-MELADBBJSA-N 1 2 320.455 0.394 10 0 DCAELO C[C@@H]1CN(C(=O)C2(C(=O)N(C)C)CC2)C[C@H]1[NH+]1CCOCC1 ZINC000408274109 160073245 /nfs/dbraw/zinc/07/32/45/160073245.db2.gz WANHTQLXRYSMMM-CHWSQXEVSA-N 1 2 309.410 0.034 10 0 DCAELO C[C@H]1CN(C(=O)C2(C(=O)N(C)C)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000408274112 160073585 /nfs/dbraw/zinc/07/35/85/160073585.db2.gz WANHTQLXRYSMMM-STQMWFEESA-N 1 2 309.410 0.034 10 0 DCAELO Cn1cc(NC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)cn1 ZINC000408390463 160098134 /nfs/dbraw/zinc/09/81/34/160098134.db2.gz VVECOUVGCROPQZ-GFCCVEGCSA-N 1 2 303.370 0.674 10 0 DCAELO CCS(=O)(=O)NCC(=O)NCc1[nH+]ccn1CC(C)C ZINC000135691607 287024096 /nfs/dbraw/zinc/02/40/96/287024096.db2.gz LHFCLKYOAPCCJU-UHFFFAOYSA-N 1 2 302.400 0.095 10 0 DCAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1c(F)cccc1Cl ZINC000192707349 287059530 /nfs/dbraw/zinc/05/95/30/287059530.db2.gz LOXVYJADDKCDJH-SNVBAGLBSA-N 1 2 316.760 0.902 10 0 DCAELO C[C@@H](C(=O)N1CCCCCC1)[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000246977179 287089996 /nfs/dbraw/zinc/08/99/96/287089996.db2.gz FIHUGDAZGYXNSB-QWHCGFSZSA-N 1 2 317.455 0.401 10 0 DCAELO C[C@@H](C(=O)N1CCCCCC1)[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000246977179 287089998 /nfs/dbraw/zinc/08/99/98/287089998.db2.gz FIHUGDAZGYXNSB-QWHCGFSZSA-N 1 2 317.455 0.401 10 0 DCAELO CC(C)COC[C@@H](O)CNc1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000247292828 287092585 /nfs/dbraw/zinc/09/25/85/287092585.db2.gz HJPXCSDDPUOQLI-KBPBESRZSA-N 1 2 324.425 0.883 10 0 DCAELO CC(C)COC[C@@H](O)CNc1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000247292828 287092588 /nfs/dbraw/zinc/09/25/88/287092588.db2.gz HJPXCSDDPUOQLI-KBPBESRZSA-N 1 2 324.425 0.883 10 0 DCAELO CCC[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)CC(=O)NC2CC2)CCO1 ZINC000248043946 287095893 /nfs/dbraw/zinc/09/58/93/287095893.db2.gz MNPMYVTZODKGTJ-TZMCWYRMSA-N 1 2 311.426 0.613 10 0 DCAELO CCC[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)CC(=O)NC2CC2)CCO1 ZINC000248043946 287095894 /nfs/dbraw/zinc/09/58/94/287095894.db2.gz MNPMYVTZODKGTJ-TZMCWYRMSA-N 1 2 311.426 0.613 10 0 DCAELO CC[C@@H]1CN(C(=O)c2cccc3nn[nH]c32)CC[N@@H+]1C[C@H](C)O ZINC000249454920 287111180 /nfs/dbraw/zinc/11/11/80/287111180.db2.gz DFXGGWHCFUKJOR-NWDGAFQWSA-N 1 2 317.393 0.875 10 0 DCAELO CC[C@@H]1CN(C(=O)c2cccc3nn[nH]c32)CC[N@H+]1C[C@H](C)O ZINC000249454920 287111181 /nfs/dbraw/zinc/11/11/81/287111181.db2.gz DFXGGWHCFUKJOR-NWDGAFQWSA-N 1 2 317.393 0.875 10 0 DCAELO CC(=O)[C@](C)(O)C[NH+]1CCN(C(=O)c2ccccc2O)CC1 ZINC000331251215 287145632 /nfs/dbraw/zinc/14/56/32/287145632.db2.gz XIXLMBRNGBKKID-MRXNPFEDSA-N 1 2 306.362 0.490 10 0 DCAELO Cc1nc(SCC(=O)NCc2ccc[nH+]c2N(C)C)n[nH]1 ZINC000072953879 415419425 /nfs/dbraw/zinc/41/94/25/415419425.db2.gz KMPBEGXZSHJHJH-UHFFFAOYSA-N 1 2 306.395 0.983 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)[C@@H](C)C1 ZINC000333161820 415574490 /nfs/dbraw/zinc/57/44/90/415574490.db2.gz MAHBZSKTLCJBRX-SBJFKYEJSA-N 1 2 316.467 0.892 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)[C@@H](C)C1 ZINC000333161820 415574493 /nfs/dbraw/zinc/57/44/93/415574493.db2.gz MAHBZSKTLCJBRX-SBJFKYEJSA-N 1 2 316.467 0.892 10 0 DCAELO Cc1cc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCOCC2)ccc1F ZINC000103322902 415618162 /nfs/dbraw/zinc/61/81/62/415618162.db2.gz JSURBLWESNMYHK-LBPRGKRZSA-N 1 2 323.368 0.910 10 0 DCAELO C[C@@H]1OCC[C@]1(O)CNC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000333374681 415629633 /nfs/dbraw/zinc/62/96/33/415629633.db2.gz DQUYZGNYCBZQRP-LXZKKBNFSA-N 1 2 304.390 0.917 10 0 DCAELO C[C@@H]1OCC[C@]1(O)CNC(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000333374681 415629638 /nfs/dbraw/zinc/62/96/38/415629638.db2.gz DQUYZGNYCBZQRP-LXZKKBNFSA-N 1 2 304.390 0.917 10 0 DCAELO Cn1nnc2c1C[C@H](C(=O)NCc1cn3c([nH+]1)CCCC3)CC2 ZINC000290186509 415773305 /nfs/dbraw/zinc/77/33/05/415773305.db2.gz UFXTXRLXXORCIO-LLVKDONJSA-N 1 2 314.393 0.769 10 0 DCAELO CO[C@H](C)c1nc(C)c(C(=O)N2CC[NH+](CCO)CC2)s1 ZINC000154909188 415991560 /nfs/dbraw/zinc/99/15/60/415991560.db2.gz BQSXOOLDHCLJRO-LLVKDONJSA-N 1 2 313.423 0.909 10 0 DCAELO COC(=O)[C@H](c1cccnc1)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000156652191 415998034 /nfs/dbraw/zinc/99/80/34/415998034.db2.gz IHYYKCQUQPSTMA-BPUTZDHNSA-N 1 2 319.405 0.948 10 0 DCAELO CNC(=O)c1cccc(C(=O)NC[C@H](C)[NH+]2CCOCC2)c1 ZINC000173067477 416052761 /nfs/dbraw/zinc/05/27/61/416052761.db2.gz AVYDCZUQXOEKLB-LBPRGKRZSA-N 1 2 305.378 0.497 10 0 DCAELO CC(C)Cn1cc[nH+]c1CNC(=O)C(C)(C)NS(C)(=O)=O ZINC000173907921 416068511 /nfs/dbraw/zinc/06/85/11/416068511.db2.gz BQXWBJSDCGTNEX-UHFFFAOYSA-N 1 2 316.427 0.483 10 0 DCAELO C[C@H]1CCCN(C(=O)C[NH+]2CCN(c3cccnn3)CC2)C1 ZINC000170650021 416027535 /nfs/dbraw/zinc/02/75/35/416027535.db2.gz JYOCKGKXKRGJIE-AWEZNQCLSA-N 1 2 303.410 0.857 10 0 DCAELO COCCCS(=O)(=O)NCC[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000175102201 416095511 /nfs/dbraw/zinc/09/55/11/416095511.db2.gz UEWSLZMAROLWKA-KBPBESRZSA-N 1 2 320.455 0.586 10 0 DCAELO COCCCS(=O)(=O)NCC[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000175102201 416095514 /nfs/dbraw/zinc/09/55/14/416095514.db2.gz UEWSLZMAROLWKA-KBPBESRZSA-N 1 2 320.455 0.586 10 0 DCAELO CC1(C)C[N@H+](CCNC(=O)N[C@@H]2CCCn3ncnc32)CCO1 ZINC000176476647 416126953 /nfs/dbraw/zinc/12/69/53/416126953.db2.gz QNQQBTBBYZTNLQ-GFCCVEGCSA-N 1 2 322.413 0.523 10 0 DCAELO CC1(C)C[N@@H+](CCNC(=O)N[C@@H]2CCCn3ncnc32)CCO1 ZINC000176476647 416126957 /nfs/dbraw/zinc/12/69/57/416126957.db2.gz QNQQBTBBYZTNLQ-GFCCVEGCSA-N 1 2 322.413 0.523 10 0 DCAELO CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H](C)CS(C)(=O)=O ZINC000176898582 416136820 /nfs/dbraw/zinc/13/68/20/416136820.db2.gz LRMWRZVVPBVPGF-NSHDSACASA-N 1 2 301.412 0.836 10 0 DCAELO C[C@H](CS(C)(=O)=O)NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000177519641 416145683 /nfs/dbraw/zinc/14/56/83/416145683.db2.gz SIEHDAWFSNPGBL-NEPJUHHUSA-N 1 2 314.411 0.490 10 0 DCAELO CC[C@H](CO)[NH+]1CCN(C(=O)c2ccc(C(N)=O)s2)CC1 ZINC000179417375 416186704 /nfs/dbraw/zinc/18/67/04/416186704.db2.gz IEIBDCNCHYHGOE-SNVBAGLBSA-N 1 2 311.407 0.376 10 0 DCAELO O=C(NC[C@@]1(O)CCOC1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000179522712 416189287 /nfs/dbraw/zinc/18/92/87/416189287.db2.gz BPSDGJLPQQTOPL-INIZCTEOSA-N 1 2 320.393 0.501 10 0 DCAELO C[C@H](CNC(=O)Nc1nc2ccccn2n1)[NH+]1CCOCC1 ZINC000183048795 416234046 /nfs/dbraw/zinc/23/40/46/416234046.db2.gz ISWFRPUVXJJXFL-LLVKDONJSA-N 1 2 304.354 0.572 10 0 DCAELO CCc1cc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCO2)ccc1C ZINC000180598680 416200144 /nfs/dbraw/zinc/20/01/44/416200144.db2.gz OAUCSJMQIPKNCM-OAHLLOKOSA-N 1 2 319.405 0.943 10 0 DCAELO CCc1cc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)ccc1C ZINC000180598680 416200147 /nfs/dbraw/zinc/20/01/47/416200147.db2.gz OAUCSJMQIPKNCM-OAHLLOKOSA-N 1 2 319.405 0.943 10 0 DCAELO Cn1c(CN2CC[C@@H]([NH+]3CCOCC3)C2)nnc1C1CCC1 ZINC000181386585 416206973 /nfs/dbraw/zinc/20/69/73/416206973.db2.gz WQWKVXUCJUCXFP-CQSZACIVSA-N 1 2 305.426 0.989 10 0 DCAELO Cn1c(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)nnc1C1CCC1 ZINC000181386585 416206977 /nfs/dbraw/zinc/20/69/77/416206977.db2.gz WQWKVXUCJUCXFP-CQSZACIVSA-N 1 2 305.426 0.989 10 0 DCAELO Cn1c(C[N@H+]2CC[C@@H](N3CCOCC3)C2)nnc1C1CCC1 ZINC000181386585 416206983 /nfs/dbraw/zinc/20/69/83/416206983.db2.gz WQWKVXUCJUCXFP-CQSZACIVSA-N 1 2 305.426 0.989 10 0 DCAELO Cc1cc(N2CC[NH+]([C@@H](C)C(=O)NC(=O)NC(C)C)CC2)n[nH]1 ZINC000187171783 416261091 /nfs/dbraw/zinc/26/10/91/416261091.db2.gz HLPAIGBYPPXHKR-LBPRGKRZSA-N 1 2 322.413 0.463 10 0 DCAELO CN1CCC[N@H+](CCN2C(=O)NC3(CCCC3)C2=O)CC1=O ZINC000191108947 416284150 /nfs/dbraw/zinc/28/41/50/416284150.db2.gz NTYBYQMUAUVTNL-UHFFFAOYSA-N 1 2 308.382 0.015 10 0 DCAELO CN1CCC[N@@H+](CCN2C(=O)NC3(CCCC3)C2=O)CC1=O ZINC000191108947 416284155 /nfs/dbraw/zinc/28/41/55/416284155.db2.gz NTYBYQMUAUVTNL-UHFFFAOYSA-N 1 2 308.382 0.015 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNS(=O)(=O)C2=Cc3ccccc3OC2)C1 ZINC000191918946 416292307 /nfs/dbraw/zinc/29/23/07/416292307.db2.gz BQRUIFKOTSJJQL-ZDUSSCGKSA-N 1 2 324.402 0.670 10 0 DCAELO C[N@H+]1CCO[C@@H](CNS(=O)(=O)C2=Cc3ccccc3OC2)C1 ZINC000191918946 416292310 /nfs/dbraw/zinc/29/23/10/416292310.db2.gz BQRUIFKOTSJJQL-ZDUSSCGKSA-N 1 2 324.402 0.670 10 0 DCAELO COC(=O)CN(CC[NH+]1CCOCC1)C(=O)c1ccn(C)c1C ZINC000195252808 416326003 /nfs/dbraw/zinc/32/60/03/416326003.db2.gz URGJAFWSTQKHSK-UHFFFAOYSA-N 1 2 323.393 0.281 10 0 DCAELO Cc1csc([C@@H]2C[N@H+](CCCC(=O)NC(N)=O)CCO2)n1 ZINC000195396634 416326232 /nfs/dbraw/zinc/32/62/32/416326232.db2.gz JSPORNGVTVTTTG-JTQLQIEISA-N 1 2 312.395 0.800 10 0 DCAELO Cc1csc([C@@H]2C[N@@H+](CCCC(=O)NC(N)=O)CCO2)n1 ZINC000195396634 416326233 /nfs/dbraw/zinc/32/62/33/416326233.db2.gz JSPORNGVTVTTTG-JTQLQIEISA-N 1 2 312.395 0.800 10 0 DCAELO Cc1cccc(NC[C@@H]2CC[N@H+](Cc3nc(N)nc(N)n3)C2)[nH+]1 ZINC000195516164 416326436 /nfs/dbraw/zinc/32/64/36/416326436.db2.gz IGVMBPNNLSWZEX-NSHDSACASA-N 1 2 314.397 0.673 10 0 DCAELO COc1ccc(OC)c2c1C[N@@H+]([C@H]1CCN(C)C1=O)C[C@@H]2O ZINC000246810055 416332162 /nfs/dbraw/zinc/33/21/62/416332162.db2.gz BKCPEQIDYBPCJI-RYUDHWBXSA-N 1 2 306.362 0.784 10 0 DCAELO COc1ccc(OC)c2c1C[N@H+]([C@H]1CCN(C)C1=O)C[C@@H]2O ZINC000246810055 416332163 /nfs/dbraw/zinc/33/21/63/416332163.db2.gz BKCPEQIDYBPCJI-RYUDHWBXSA-N 1 2 306.362 0.784 10 0 DCAELO Cn1ccc(CNC(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)n1 ZINC000535745185 416527496 /nfs/dbraw/zinc/52/74/96/416527496.db2.gz VRTLSQKVCNMQRN-UHFFFAOYSA-N 1 2 317.397 0.181 10 0 DCAELO CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)Nc1cc[nH+]c(C(C)C)n1 ZINC000362670678 416568961 /nfs/dbraw/zinc/56/89/61/416568961.db2.gz WOWBBQRADAMTHC-GHMZBOCLSA-N 1 2 308.382 1.468 10 0 DCAELO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000376714449 417035263 /nfs/dbraw/zinc/03/52/63/417035263.db2.gz BRBNGOYFVDMWLM-JHJVBQTASA-N 1 2 305.444 0.129 10 0 DCAELO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000376714449 417035270 /nfs/dbraw/zinc/03/52/70/417035270.db2.gz BRBNGOYFVDMWLM-JHJVBQTASA-N 1 2 305.444 0.129 10 0 DCAELO Nc1ccc([C@H]2CN(S(=O)(=O)c3ccccc3)CC[NH2+]2)cn1 ZINC000616604633 417082855 /nfs/dbraw/zinc/08/28/55/417082855.db2.gz XWLCYFNQOMFJHJ-CQSZACIVSA-N 1 2 318.402 0.999 10 0 DCAELO CC(C)(C)OC(=O)NCC[N@@H+]1CCO[C@H](c2nn[nH]n2)CC1 ZINC000616665417 417089466 /nfs/dbraw/zinc/08/94/66/417089466.db2.gz HVJRMACHCPUGCN-JTQLQIEISA-N 1 2 312.374 0.488 10 0 DCAELO CC(C)(C)OC(=O)NCC[N@H+]1CCO[C@H](c2nn[nH]n2)CC1 ZINC000616665417 417089473 /nfs/dbraw/zinc/08/94/73/417089473.db2.gz HVJRMACHCPUGCN-JTQLQIEISA-N 1 2 312.374 0.488 10 0 DCAELO Nc1[nH+]cccc1[C@@H]1CNc2ccccc2N1S(N)(=O)=O ZINC000616682171 417093303 /nfs/dbraw/zinc/09/33/03/417093303.db2.gz DTWMWQOFMMFQIS-LBPRGKRZSA-N 1 2 305.363 0.841 10 0 DCAELO CC[C@@H]1C[C@H](C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)CC(=O)N1 ZINC000408201366 417146284 /nfs/dbraw/zinc/14/62/84/417146284.db2.gz DWOHZQICGZBHTO-LXTVHRRPSA-N 1 2 323.437 0.470 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCOC[C@@H]1C(N)=O)C2 ZINC000527252193 417229650 /nfs/dbraw/zinc/22/96/50/417229650.db2.gz OPNUBRZDUQRPCY-ZWNOBZJWSA-N 1 2 320.393 0.351 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCOC[C@@H]1C(N)=O)CC2 ZINC000527252193 417229655 /nfs/dbraw/zinc/22/96/55/417229655.db2.gz OPNUBRZDUQRPCY-ZWNOBZJWSA-N 1 2 320.393 0.351 10 0 DCAELO COC[C@@H]1NC(=O)N(Cc2ccc(Cn3cc[nH+]c3)cc2)C1=O ZINC000569426085 417251931 /nfs/dbraw/zinc/25/19/31/417251931.db2.gz RTZIWOOQCFWYSS-AWEZNQCLSA-N 1 2 314.345 0.998 10 0 DCAELO CC(=O)N1CCC[C@@H]1C(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000633602973 417462495 /nfs/dbraw/zinc/46/24/95/417462495.db2.gz RQZZYMATSPAMMS-CHWSQXEVSA-N 1 2 322.409 0.607 10 0 DCAELO CC(=O)N1CCC[C@@H]1C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000633642644 417469684 /nfs/dbraw/zinc/46/96/84/417469684.db2.gz PVLAOVJTZLDUCI-MRXNPFEDSA-N 1 2 323.437 0.568 10 0 DCAELO CCOC(=O)[C@@H]1CN(C(=O)Nc2cc[nH+]cc2C)CC12COC2 ZINC000455033783 417589967 /nfs/dbraw/zinc/58/99/67/417589967.db2.gz MAVFIYJPGDDVRY-LBPRGKRZSA-N 1 2 319.361 0.855 10 0 DCAELO Cc1cc(C)n2cc(C[NH+]3CCC([C@@H](O)C(N)=O)CC3)nc2n1 ZINC000299747862 229392209 /nfs/dbraw/zinc/39/22/09/229392209.db2.gz FJSPFQIAGWXVRW-CQSZACIVSA-N 1 2 317.393 0.404 10 0 DCAELO C[C@H]1CN(C(=O)NCc2ccc[nH+]c2N(C)C)C[C@H](CO)O1 ZINC000188615848 261129345 /nfs/dbraw/zinc/12/93/45/261129345.db2.gz GAGKTYQPGDCTQA-WCQYABFASA-N 1 2 308.382 0.439 10 0 DCAELO CC(C)Cn1cc[nH+]c1CNC(=O)N1C[C@@H](C)O[C@@H](CO)C1 ZINC000189759893 261133238 /nfs/dbraw/zinc/13/32/38/261133238.db2.gz NSWKCDQRIAFDTE-CHWSQXEVSA-N 1 2 310.398 0.830 10 0 DCAELO COC(=O)CCCCCS(=O)(=O)N1CC[NH+](C2CC2)CC1 ZINC000190666388 261135414 /nfs/dbraw/zinc/13/54/14/261135414.db2.gz VTDDBKUDKXXWQR-UHFFFAOYSA-N 1 2 318.439 0.830 10 0 DCAELO CC[N@H+](Cc1cnn(C)c1)[C@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000195518930 261152279 /nfs/dbraw/zinc/15/22/79/261152279.db2.gz QZEXDSFMMXYMSR-GFCCVEGCSA-N 1 2 321.425 0.368 10 0 DCAELO CC[N@@H+](Cc1cnn(C)c1)[C@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000195518930 261152282 /nfs/dbraw/zinc/15/22/82/261152282.db2.gz QZEXDSFMMXYMSR-GFCCVEGCSA-N 1 2 321.425 0.368 10 0 DCAELO COC(=O)[C@@H]1CC[N@H+](Cc2nnnn2Cc2ccccc2)C1 ZINC000390782948 262160471 /nfs/dbraw/zinc/16/04/71/262160471.db2.gz LKXJEKQQEQMDFA-CYBMUJFWSA-N 1 2 301.350 0.716 10 0 DCAELO COC(=O)[C@@H]1CC[N@@H+](Cc2nnnn2Cc2ccccc2)C1 ZINC000390782948 262160472 /nfs/dbraw/zinc/16/04/72/262160472.db2.gz LKXJEKQQEQMDFA-CYBMUJFWSA-N 1 2 301.350 0.716 10 0 DCAELO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](S(C)(=O)=O)C1 ZINC000359613165 271132727 /nfs/dbraw/zinc/13/27/27/271132727.db2.gz ZCJYLHIIVKSGCW-STQMWFEESA-N 1 2 302.440 0.896 10 0 DCAELO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](S(C)(=O)=O)C1 ZINC000359613165 271132732 /nfs/dbraw/zinc/13/27/32/271132732.db2.gz ZCJYLHIIVKSGCW-STQMWFEESA-N 1 2 302.440 0.896 10 0 DCAELO CCOC[C@H](O)C[NH2+][C@]1(C(=O)OC)C[C@H](OCC)C1(C)C ZINC000444766073 271742925 /nfs/dbraw/zinc/74/29/25/271742925.db2.gz KTORHTSXQZDHFS-XUJVJEKNSA-N 1 2 303.399 0.720 10 0 DCAELO CNc1nc(N2CCN(C)C(=O)[C@H]2C)[nH+]cc1Br ZINC000302574226 277045919 /nfs/dbraw/zinc/04/59/19/277045919.db2.gz ZZLVCRYYQUSQGP-SSDOTTSWSA-N 1 2 314.187 0.948 10 0 DCAELO CN(C)C(=O)C1(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000548089064 288110263 /nfs/dbraw/zinc/11/02/63/288110263.db2.gz SKBQUEXVVBUGEN-GFCCVEGCSA-N 1 2 302.378 0.645 10 0 DCAELO C[C@H](C(=O)Nc1ncccn1)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173984314 279239137 /nfs/dbraw/zinc/23/91/37/279239137.db2.gz NNYFMVCQAGEFQB-OLZOCXBDSA-N 1 2 305.382 0.210 10 0 DCAELO C[C@H](C(=O)Nc1ncccn1)[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173984314 279239139 /nfs/dbraw/zinc/23/91/39/279239139.db2.gz NNYFMVCQAGEFQB-OLZOCXBDSA-N 1 2 305.382 0.210 10 0 DCAELO C[C@H](C(=O)Nc1ncccn1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173984314 279239142 /nfs/dbraw/zinc/23/91/42/279239142.db2.gz NNYFMVCQAGEFQB-OLZOCXBDSA-N 1 2 305.382 0.210 10 0 DCAELO CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CCO[C@H]1c1ccnn1C ZINC000548338474 288133080 /nfs/dbraw/zinc/13/30/80/288133080.db2.gz KKEYQYADHNTNSZ-UKRRQHHQSA-N 1 2 322.409 0.288 10 0 DCAELO CCOC(=O)[C@@H](C)CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000553100944 288287227 /nfs/dbraw/zinc/28/72/27/288287227.db2.gz GSSUZCVVSBPGDA-JTQLQIEISA-N 1 2 318.333 0.588 10 0 DCAELO CO[C@H]1CC[C@@H](NC(=O)C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000556654584 288380895 /nfs/dbraw/zinc/38/08/95/288380895.db2.gz IBCMJELEBVQOLE-OLZOCXBDSA-N 1 2 308.382 0.463 10 0 DCAELO C[C@@](O)(CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)C1CC1 ZINC000561001011 288523083 /nfs/dbraw/zinc/52/30/83/288523083.db2.gz XUCZSPZZXYNOLW-OAHLLOKOSA-N 1 2 302.334 0.550 10 0 DCAELO C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC000333294330 290076490 /nfs/dbraw/zinc/07/64/90/290076490.db2.gz KZVDJLWIZNRDTL-CABCVRRESA-N 1 2 323.437 0.614 10 0 DCAELO 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WMGFIFVVLORXLD-CYBMUJFWSA-N 1 2 303.366 0.904 10 0 DCAELO CC(=O)N(C)c1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000279782204 215142033 /nfs/dbraw/zinc/14/20/33/215142033.db2.gz UHIYMFNYRDIEMW-UHFFFAOYSA-N 1 2 305.378 0.731 10 0 DCAELO CO[C@H](C)C[NH+]1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000182001234 199373118 /nfs/dbraw/zinc/37/31/18/199373118.db2.gz BFJWQHSJEPSLMY-SNVBAGLBSA-N 1 2 317.411 0.633 10 0 DCAELO CC1(C)C[N@H+](CCNC(=O)CNC(=O)c2ccccn2)CCO1 ZINC000172534213 198110557 /nfs/dbraw/zinc/11/05/57/198110557.db2.gz YBRPJXCUABLKCV-UHFFFAOYSA-N 1 2 320.393 0.038 10 0 DCAELO CC1(C)C[N@@H+](CCNC(=O)CNC(=O)c2ccccn2)CCO1 ZINC000172534213 198110558 /nfs/dbraw/zinc/11/05/58/198110558.db2.gz YBRPJXCUABLKCV-UHFFFAOYSA-N 1 2 320.393 0.038 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)[C@@H](C)COC)nc[nH+]1 ZINC000173428091 198213018 /nfs/dbraw/zinc/21/30/18/198213018.db2.gz MJXCJWHRJDMTET-RYUDHWBXSA-N 1 2 307.398 0.886 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)[C@@H](C)COC)[nH+]cn1 ZINC000173428091 198213019 /nfs/dbraw/zinc/21/30/19/198213019.db2.gz MJXCJWHRJDMTET-RYUDHWBXSA-N 1 2 307.398 0.886 10 0 DCAELO COc1ncccc1C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000173861895 198261938 /nfs/dbraw/zinc/26/19/38/198261938.db2.gz OFGFQJUFHXEVGC-TZMCWYRMSA-N 1 2 305.378 0.883 10 0 DCAELO C[C@H]1CN(C(=O)C(=O)Nc2ccccc2)C[C@H]1[NH+]1CCOCC1 ZINC000173958183 198273458 /nfs/dbraw/zinc/27/34/58/198273458.db2.gz HBKOWKQFIFQFNU-DZGCQCFKSA-N 1 2 317.389 0.804 10 0 DCAELO O=C(Cc1cn2ccsc2n1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172748015 237151833 /nfs/dbraw/zinc/15/18/33/237151833.db2.gz WLCAXWIGRTWWDE-CYBMUJFWSA-N 1 2 320.418 0.871 10 0 DCAELO Cn1cc([C@@H]([NH2+]CC(=O)NC(N)=O)c2ccc(F)cc2)cn1 ZINC000184600869 237291015 /nfs/dbraw/zinc/29/10/15/237291015.db2.gz AQYIODCNJOALRH-ZDUSSCGKSA-N 1 2 305.313 0.433 10 0 DCAELO CN(C)C(=O)c1ccc(OC[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000154375352 291213059 /nfs/dbraw/zinc/21/30/59/291213059.db2.gz CXRGLFAERIYKPG-AWEZNQCLSA-N 1 2 308.378 0.460 10 0 DCAELO CCCn1nccc1NC(=O)C(=O)N1CC[NH+](CCOC)CC1 ZINC000154422754 291213709 /nfs/dbraw/zinc/21/37/09/291213709.db2.gz XJFSHXMOIREYJJ-UHFFFAOYSA-N 1 2 323.397 0.022 10 0 DCAELO CCNC(=O)c1cccc(OC[C@H](O)C[NH+]2CCOCC2)c1 ZINC000154722949 291215068 /nfs/dbraw/zinc/21/50/68/291215068.db2.gz OZPCALIUGDRHSU-CQSZACIVSA-N 1 2 308.378 0.508 10 0 DCAELO Cn1cc[nH+]c1[C@@H]1CN(C(=O)COC[C@@H]2CCCO2)CCN1C ZINC000328616993 291259426 /nfs/dbraw/zinc/25/94/26/291259426.db2.gz CGFGZRXZBHAYAM-KBPBESRZSA-N 1 2 322.409 0.431 10 0 DCAELO COC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000338229964 291325823 /nfs/dbraw/zinc/32/58/23/291325823.db2.gz FERAPGLFJWTIHR-RYUDHWBXSA-N 1 2 304.412 0.295 10 0 DCAELO COC(=O)[C@@H]1CCCC[N@H+]1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000338229964 291325824 /nfs/dbraw/zinc/32/58/24/291325824.db2.gz FERAPGLFJWTIHR-RYUDHWBXSA-N 1 2 304.412 0.295 10 0 DCAELO COC[C@@H](NC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1)C1CC1 ZINC000275406359 212315294 /nfs/dbraw/zinc/31/52/94/212315294.db2.gz BJEQFHVZCWDYHR-ZIAGYGMSSA-N 1 2 321.425 0.843 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnc(C4CC4)nc3N)C[C@@H]21 ZINC000288306438 220074443 /nfs/dbraw/zinc/07/44/43/220074443.db2.gz XILWQZXTNHNLBL-STQMWFEESA-N 1 2 317.393 0.481 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)c3cnc(C4CC4)nc3N)C[C@@H]21 ZINC000288306438 220074445 /nfs/dbraw/zinc/07/44/45/220074445.db2.gz XILWQZXTNHNLBL-STQMWFEESA-N 1 2 317.393 0.481 10 0 DCAELO Cc1noc(C[NH2+]C[C@H](O)c2ccc(S(C)(=O)=O)cc2)n1 ZINC000038034978 182974749 /nfs/dbraw/zinc/97/47/49/182974749.db2.gz IQQQFBLRNOCSLX-LBPRGKRZSA-N 1 2 311.363 0.605 10 0 DCAELO Cc1nn(C)c(C)c1CN1CC[NH+]([C@H](C)C(=O)N(C)C)CC1 ZINC000105916719 194170093 /nfs/dbraw/zinc/17/00/93/194170093.db2.gz KGSUCTSSKVTMBB-CQSZACIVSA-N 1 2 307.442 0.631 10 0 DCAELO Cc1nn(C)c(C)c1C[NH+]1CCN([C@H](C)C(=O)N(C)C)CC1 ZINC000105916719 194170095 /nfs/dbraw/zinc/17/00/95/194170095.db2.gz KGSUCTSSKVTMBB-CQSZACIVSA-N 1 2 307.442 0.631 10 0 DCAELO C[C@H](NC[C@H]1C[N@H+](C)CCO1)c1nnnn1-c1ccccc1 ZINC000105932403 194173012 /nfs/dbraw/zinc/17/30/12/194173012.db2.gz QMRGDOUKUPOJJG-JSGCOSHPSA-N 1 2 302.382 0.644 10 0 DCAELO C[C@H](NC[C@H]1C[N@@H+](C)CCO1)c1nnnn1-c1ccccc1 ZINC000105932403 194173014 /nfs/dbraw/zinc/17/30/14/194173014.db2.gz QMRGDOUKUPOJJG-JSGCOSHPSA-N 1 2 302.382 0.644 10 0 DCAELO Cc1ncc(C[NH+]2CCN(C(=O)C3=COCCO3)CC2)s1 ZINC000110941511 194372238 /nfs/dbraw/zinc/37/22/38/194372238.db2.gz ISQFQJNJBBCTDL-UHFFFAOYSA-N 1 2 309.391 0.984 10 0 DCAELO COCCNC(=O)[C@H](C1CCCC1)[NH+]1CCN(C(C)=O)CC1 ZINC000036251542 285070587 /nfs/dbraw/zinc/07/05/87/285070587.db2.gz ZLNDMBKVXDAJJZ-HNNXBMFYSA-N 1 2 311.426 0.472 10 0 DCAELO NC(=O)[C@H]1C[C@@H](F)CN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000347267701 254143652 /nfs/dbraw/zinc/14/36/52/254143652.db2.gz UDFJQPWAYLZZGI-ZIAGYGMSSA-N 1 2 316.336 0.969 10 0 DCAELO CC(=O)CCCC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000351976111 254386684 /nfs/dbraw/zinc/38/66/84/254386684.db2.gz SLHKFMCVNGIPOR-ZDUSSCGKSA-N 1 2 320.393 0.787 10 0 DCAELO C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)CCS1(=O)=O ZINC000121732999 132158506 /nfs/dbraw/zinc/15/85/06/132158506.db2.gz BVDSZLPMYXYIJF-CYBMUJFWSA-N 1 2 310.419 0.764 10 0 DCAELO C[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)CCS1(=O)=O ZINC000121732999 132158507 /nfs/dbraw/zinc/15/85/07/132158507.db2.gz BVDSZLPMYXYIJF-CYBMUJFWSA-N 1 2 310.419 0.764 10 0 DCAELO C[C@@H](CNC(=O)C(=O)Nc1cccc(F)c1)[NH+]1CCOCC1 ZINC000041600595 395738332 /nfs/dbraw/zinc/73/83/32/395738332.db2.gz GDISKCKCBXBWJH-NSHDSACASA-N 1 2 309.341 0.601 10 0 DCAELO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)C2CCCC2)CC1 ZINC000044738095 395758731 /nfs/dbraw/zinc/75/87/31/395758731.db2.gz JHDVEOZTIXMGPW-CQSZACIVSA-N 1 2 323.437 0.568 10 0 DCAELO CN1N=C(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)CCC1=O ZINC000194660096 395803365 /nfs/dbraw/zinc/80/33/65/395803365.db2.gz ISXRDOGULFIKIV-UHFFFAOYSA-N 1 2 312.333 0.492 10 0 DCAELO CCOCC[NH+]1CCN(S(=O)(=O)N2CCC[C@H](C)C2)CC1 ZINC000111345705 395807501 /nfs/dbraw/zinc/80/75/01/395807501.db2.gz JUAZXQVOXGVZRY-AWEZNQCLSA-N 1 2 319.471 0.617 10 0 DCAELO CC(C)CC(=O)N[C@H](C(=O)NC[C@@H]1C[N@H+](C)CCO1)C(C)C ZINC000194607352 395801303 /nfs/dbraw/zinc/80/13/03/395801303.db2.gz RLLDEDNEBXJXIP-HIFRSBDPSA-N 1 2 313.442 0.620 10 0 DCAELO CC(C)CC(=O)N[C@H](C(=O)NC[C@@H]1C[N@@H+](C)CCO1)C(C)C ZINC000194607352 395801305 /nfs/dbraw/zinc/80/13/05/395801305.db2.gz RLLDEDNEBXJXIP-HIFRSBDPSA-N 1 2 313.442 0.620 10 0 DCAELO O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@H]1CCCN1c1nccs1 ZINC000246074268 395940786 /nfs/dbraw/zinc/94/07/86/395940786.db2.gz DTXWIXICTUAQTP-QWHCGFSZSA-N 1 2 321.450 0.228 10 0 DCAELO COCCc1noc(CN2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1 ZINC000246533232 395951984 /nfs/dbraw/zinc/95/19/84/395951984.db2.gz SFFVGHRHDYPCPP-QWHCGFSZSA-N 1 2 310.398 0.411 10 0 DCAELO COCCc1noc(C[N@@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)n1 ZINC000246533232 395951985 /nfs/dbraw/zinc/95/19/85/395951985.db2.gz SFFVGHRHDYPCPP-QWHCGFSZSA-N 1 2 310.398 0.411 10 0 DCAELO COCCc1noc(C[N@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)n1 ZINC000246533232 395951986 /nfs/dbraw/zinc/95/19/86/395951986.db2.gz SFFVGHRHDYPCPP-QWHCGFSZSA-N 1 2 310.398 0.411 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc([S@](C)=O)cc2)C[C@@H]1C ZINC000246656707 395955088 /nfs/dbraw/zinc/95/50/88/395955088.db2.gz GVWJYNBYHIVQCA-MZFXBISCSA-N 1 2 324.446 0.951 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc([S@](C)=O)cc2)C[C@@H]1C ZINC000246656707 395955092 /nfs/dbraw/zinc/95/50/92/395955092.db2.gz GVWJYNBYHIVQCA-MZFXBISCSA-N 1 2 324.446 0.951 10 0 DCAELO CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247096713 395966688 /nfs/dbraw/zinc/96/66/88/395966688.db2.gz MGLXXLFFISMYOK-QJPTWQEYSA-N 1 2 305.444 0.303 10 0 DCAELO CCC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247096713 395966691 /nfs/dbraw/zinc/96/66/91/395966691.db2.gz MGLXXLFFISMYOK-QJPTWQEYSA-N 1 2 305.444 0.303 10 0 DCAELO CCCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247100833 395967162 /nfs/dbraw/zinc/96/71/62/395967162.db2.gz MOEHHGAYBMZVMI-NWDGAFQWSA-N 1 2 305.444 0.305 10 0 DCAELO CCCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247100833 395967164 /nfs/dbraw/zinc/96/71/64/395967164.db2.gz MOEHHGAYBMZVMI-NWDGAFQWSA-N 1 2 305.444 0.305 10 0 DCAELO COC(=O)[C@@H]1CCC[C@@H](C(=O)NC[C@H](C)[NH+]2CCOCC2)C1 ZINC000247236681 395970039 /nfs/dbraw/zinc/97/00/39/395970039.db2.gz XJYPRHWRURAWHW-BFHYXJOUSA-N 1 2 312.410 0.803 10 0 DCAELO CC(C)CCn1cc(C(=O)NC[C@H](C)[NH+]2CCOCC2)nn1 ZINC000151104029 395978441 /nfs/dbraw/zinc/97/84/41/395978441.db2.gz VMGODVSVWYBJPI-ZDUSSCGKSA-N 1 2 309.414 0.775 10 0 DCAELO COC(=O)c1cc(C)ccc1S(=O)(=O)NCCn1cc[nH+]c1 ZINC000151493043 395986700 /nfs/dbraw/zinc/98/67/00/395986700.db2.gz YZTGZODZRHDZMJ-UHFFFAOYSA-N 1 2 323.374 0.957 10 0 DCAELO CNC(=O)[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2F)CCO1 ZINC000248437953 395987011 /nfs/dbraw/zinc/98/70/11/395987011.db2.gz HNIMVCSFUBHPDV-OLZOCXBDSA-N 1 2 300.305 0.445 10 0 DCAELO CNC(=O)[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2F)CCO1 ZINC000248437953 395987014 /nfs/dbraw/zinc/98/70/14/395987014.db2.gz HNIMVCSFUBHPDV-OLZOCXBDSA-N 1 2 300.305 0.445 10 0 DCAELO C[C@H](Oc1ccccc1)C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000154119507 396031255 /nfs/dbraw/zinc/03/12/55/396031255.db2.gz FGTKTFCHBWPRFN-UONOGXRCSA-N 1 2 308.378 0.263 10 0 DCAELO CCc1ccc(OCC(=O)NC[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000154126779 396032439 /nfs/dbraw/zinc/03/24/39/396032439.db2.gz SJIDAWGUPQEVDM-OAHLLOKOSA-N 1 2 322.405 0.437 10 0 DCAELO Cc1ccc(O[C@H](C)C(=O)NC[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000154158776 396032890 /nfs/dbraw/zinc/03/28/90/396032890.db2.gz VIYKMCPAYJWOKZ-HUUCEWRRSA-N 1 2 322.405 0.572 10 0 DCAELO Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@@H]2CSC(=O)N2)CC1 ZINC000155087437 396047128 /nfs/dbraw/zinc/04/71/28/396047128.db2.gz WBSGJBKTQYGNAR-LBPRGKRZSA-N 1 2 324.406 0.761 10 0 DCAELO COC(=O)CC(C)(C)CC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000155218853 396048424 /nfs/dbraw/zinc/04/84/24/396048424.db2.gz IMGJDSVUOWCTRC-CYBMUJFWSA-N 1 2 312.410 0.899 10 0 DCAELO CC(C)Oc1cc(CNC(=O)NC[C@H]2C[N@H+](C)CCO2)ccn1 ZINC000155540205 396053237 /nfs/dbraw/zinc/05/32/37/396053237.db2.gz GZMYNNZTVSIBAC-AWEZNQCLSA-N 1 2 322.409 0.999 10 0 DCAELO CC(C)Oc1cc(CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)ccn1 ZINC000155540205 396053240 /nfs/dbraw/zinc/05/32/40/396053240.db2.gz GZMYNNZTVSIBAC-AWEZNQCLSA-N 1 2 322.409 0.999 10 0 DCAELO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CCNS(=O)(=O)CC ZINC000069222511 396073335 /nfs/dbraw/zinc/07/33/35/396073335.db2.gz XTWCVPCCPZEVFA-LBPRGKRZSA-N 1 2 305.444 0.259 10 0 DCAELO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CCNS(=O)(=O)CC ZINC000069222511 396073339 /nfs/dbraw/zinc/07/33/39/396073339.db2.gz XTWCVPCCPZEVFA-LBPRGKRZSA-N 1 2 305.444 0.259 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(N3CCCC3)nc2)C1 ZINC000171403962 396116302 /nfs/dbraw/zinc/11/63/02/396116302.db2.gz FYXFZZIUCIGILT-CQSZACIVSA-N 1 2 304.394 0.742 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)c2ccc(N3CCCC3)nc2)C1 ZINC000171403962 396116304 /nfs/dbraw/zinc/11/63/04/396116304.db2.gz FYXFZZIUCIGILT-CQSZACIVSA-N 1 2 304.394 0.742 10 0 DCAELO COc1ccccc1CN1CCN(Cc2noc(C[NH3+])n2)CC1 ZINC000262295856 396119681 /nfs/dbraw/zinc/11/96/81/396119681.db2.gz WQESIQPPFKHKKM-UHFFFAOYSA-N 1 2 317.393 0.855 10 0 DCAELO CC(C)c1nnc2n1C[C@@H](NC(=O)[C@H]1CC(F)(F)C[NH2+]1)CC2 ZINC000263244791 396208441 /nfs/dbraw/zinc/20/84/41/396208441.db2.gz PDNDYQPHKFPHPE-VHSXEESVSA-N 1 2 313.352 0.830 10 0 DCAELO CC(C)(C)n1cc(CN2CC[NH+]([C@@H]3CCNC3=O)CC2)cn1 ZINC000178199655 396191071 /nfs/dbraw/zinc/19/10/71/396191071.db2.gz ZZTVDNQNAPIMLH-CQSZACIVSA-N 1 2 305.426 0.644 10 0 DCAELO O=C(NCCOc1ccc2c(c1)OCO2)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262964257 396194463 /nfs/dbraw/zinc/19/44/63/396194463.db2.gz KZIASBHHIOBUPX-SNVBAGLBSA-N 1 2 314.288 0.908 10 0 DCAELO Cc1[nH+]c2ccccc2n1CC(=O)N[C@@H]1CCC(=O)NC1=O ZINC000178565022 396199317 /nfs/dbraw/zinc/19/93/17/396199317.db2.gz FVJYODDVKFBHNZ-LLVKDONJSA-N 1 2 300.318 0.266 10 0 DCAELO CN(C(=O)CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)C1CCCCC1 ZINC000263075040 396200860 /nfs/dbraw/zinc/20/08/60/396200860.db2.gz WYAFKRSGIDLYEF-NSHDSACASA-N 1 2 303.353 0.891 10 0 DCAELO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C[C@@H](O)C(F)(F)F)CC1 ZINC000181741035 396241212 /nfs/dbraw/zinc/24/12/12/396241212.db2.gz NBYXFFOJEJSDOK-VXGBXAGGSA-N 1 2 323.359 0.538 10 0 DCAELO Cc1nc(N2CCN(Cc3nnnn3C(C)C)CC2)cc[nH+]1 ZINC000183806569 396275199 /nfs/dbraw/zinc/27/51/99/396275199.db2.gz ITTCIRZBRAYRRS-UHFFFAOYSA-N 1 2 302.386 0.675 10 0 DCAELO O=C(NC[C@H]1CCCN1c1cccnn1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263313960 396213770 /nfs/dbraw/zinc/21/37/70/396213770.db2.gz ZEKGYPMVBALXOP-GHMZBOCLSA-N 1 2 311.336 0.559 10 0 DCAELO Cc1nc(N2CCN(C(=O)N[C@@H]3CCCOC3)CC2)cc[nH+]1 ZINC000184986569 396313192 /nfs/dbraw/zinc/31/31/92/396313192.db2.gz CMBMTDGJNMWWMV-CYBMUJFWSA-N 1 2 305.382 0.796 10 0 DCAELO OC[C@H]1C[C@H](O)C[N@@H+]1Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000185180700 396320837 /nfs/dbraw/zinc/32/08/37/396320837.db2.gz PIEYSBGULZELSK-ZJUUUORDSA-N 1 2 311.288 0.942 10 0 DCAELO OC[C@H]1C[C@H](O)C[N@H+]1Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000185180700 396320841 /nfs/dbraw/zinc/32/08/41/396320841.db2.gz PIEYSBGULZELSK-ZJUUUORDSA-N 1 2 311.288 0.942 10 0 DCAELO CNC(=O)CC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000185077002 396316632 /nfs/dbraw/zinc/31/66/32/396316632.db2.gz GXEYWEYTGAZWJA-LLVKDONJSA-N 1 2 311.407 0.374 10 0 DCAELO COCC(=O)NC1C[NH+](C[C@H](O)COc2cc(C)ccc2C)C1 ZINC000185093917 396317788 /nfs/dbraw/zinc/31/77/88/396317788.db2.gz RUBSMOIGGKTIII-HNNXBMFYSA-N 1 2 322.405 0.490 10 0 DCAELO O=C(C[N@H+]1C[C@H](O)C[C@@H]1CO)Nc1nc(-c2ccco2)cs1 ZINC000185183229 396321013 /nfs/dbraw/zinc/32/10/13/396321013.db2.gz AILAUZVSZUHMEY-NXEZZACHSA-N 1 2 323.374 0.769 10 0 DCAELO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1CO)Nc1nc(-c2ccco2)cs1 ZINC000185183229 396321015 /nfs/dbraw/zinc/32/10/15/396321015.db2.gz AILAUZVSZUHMEY-NXEZZACHSA-N 1 2 323.374 0.769 10 0 DCAELO Cc1ccccc1Cc1noc(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)n1 ZINC000185145870 396319249 /nfs/dbraw/zinc/31/92/49/396319249.db2.gz CZRPQLAYFZQXCM-KGLIPLIRSA-N 1 2 303.362 0.896 10 0 DCAELO Cc1ccccc1Cc1noc(C[N@H+]2C[C@@H](O)C[C@@H]2CO)n1 ZINC000185145870 396319250 /nfs/dbraw/zinc/31/92/50/396319250.db2.gz CZRPQLAYFZQXCM-KGLIPLIRSA-N 1 2 303.362 0.896 10 0 DCAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@](C)(O)CSC ZINC000184429739 396295129 /nfs/dbraw/zinc/29/51/29/396295129.db2.gz ZJKSAPHLJIXGRH-OCCSQVGLSA-N 1 2 304.456 0.718 10 0 DCAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@](C)(O)CSC ZINC000184429739 396295132 /nfs/dbraw/zinc/29/51/32/396295132.db2.gz ZJKSAPHLJIXGRH-OCCSQVGLSA-N 1 2 304.456 0.718 10 0 DCAELO O=C(C[N@@H+]1CCO[C@@]2(CCOC2)C1)NCCOc1ccccc1 ZINC000185192273 396321179 /nfs/dbraw/zinc/32/11/79/396321179.db2.gz FBWOOTAENVAIGW-KRWDZBQOSA-N 1 2 320.389 0.673 10 0 DCAELO O=C(C[N@H+]1CCO[C@@]2(CCOC2)C1)NCCOc1ccccc1 ZINC000185192273 396321181 /nfs/dbraw/zinc/32/11/81/396321181.db2.gz FBWOOTAENVAIGW-KRWDZBQOSA-N 1 2 320.389 0.673 10 0 DCAELO COc1ccccc1CNC(=O)C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185210174 396322022 /nfs/dbraw/zinc/32/20/22/396322022.db2.gz AXTFKIZVJXPQTG-QGZVFWFLSA-N 1 2 320.389 0.803 10 0 DCAELO COc1ccccc1CNC(=O)C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185210174 396322024 /nfs/dbraw/zinc/32/20/24/396322024.db2.gz AXTFKIZVJXPQTG-QGZVFWFLSA-N 1 2 320.389 0.803 10 0 DCAELO Cc1ccc(CS(=O)(=O)CC(=O)N2CCOCC2)c(C)[nH+]1 ZINC000185232670 396322572 /nfs/dbraw/zinc/32/25/72/396322572.db2.gz MFTUZOMEJXRXGH-UHFFFAOYSA-N 1 2 312.391 0.472 10 0 DCAELO COc1ccc(F)cc1CNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000186566195 396352787 /nfs/dbraw/zinc/35/27/87/396352787.db2.gz PBUOFLYDDSTUHI-CYBMUJFWSA-N 1 2 311.357 0.964 10 0 DCAELO COc1ccc(F)cc1CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000186566195 396352790 /nfs/dbraw/zinc/35/27/90/396352790.db2.gz PBUOFLYDDSTUHI-CYBMUJFWSA-N 1 2 311.357 0.964 10 0 DCAELO CCc1nn(C)c(CC)c1CC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000188466658 396382562 /nfs/dbraw/zinc/38/25/62/396382562.db2.gz HOKHZHUGBKUYDU-CYBMUJFWSA-N 1 2 322.453 0.924 10 0 DCAELO C[C@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+]1CCCN(C)C(=O)C1 ZINC000191090091 396415272 /nfs/dbraw/zinc/41/52/72/396415272.db2.gz MJSIXHBQLUNPBY-QWHCGFSZSA-N 1 2 324.425 0.555 10 0 DCAELO C[C@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+]1CCCN(C)C(=O)C1 ZINC000191090091 396415274 /nfs/dbraw/zinc/41/52/74/396415274.db2.gz MJSIXHBQLUNPBY-QWHCGFSZSA-N 1 2 324.425 0.555 10 0 DCAELO C[C@@H]1C(=O)NCCCN1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000191452735 396419759 /nfs/dbraw/zinc/41/97/59/396419759.db2.gz KPOJDXDXMMLIQV-GFCCVEGCSA-N 1 2 312.414 0.017 10 0 DCAELO C[C@@H]1C(=O)NCCCN1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000191452735 396419760 /nfs/dbraw/zinc/41/97/60/396419760.db2.gz KPOJDXDXMMLIQV-GFCCVEGCSA-N 1 2 312.414 0.017 10 0 DCAELO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000192029877 396428777 /nfs/dbraw/zinc/42/87/77/396428777.db2.gz ORUSGYFYPDXNEK-QWRGUYRKSA-N 1 2 306.428 0.730 10 0 DCAELO CC[C@@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000192029877 396428779 /nfs/dbraw/zinc/42/87/79/396428779.db2.gz ORUSGYFYPDXNEK-QWRGUYRKSA-N 1 2 306.428 0.730 10 0 DCAELO O=C(C[N@@H+]1CCN2CCOC[C@@H]2C1)N1CCc2ccccc2C1 ZINC000371815343 396477714 /nfs/dbraw/zinc/47/77/14/396477714.db2.gz HZNMNCWBXIQTNQ-KRWDZBQOSA-N 1 2 315.417 0.588 10 0 DCAELO O=C(C[N@H+]1CCN2CCOC[C@@H]2C1)N1CCc2ccccc2C1 ZINC000371815343 396477716 /nfs/dbraw/zinc/47/77/16/396477716.db2.gz HZNMNCWBXIQTNQ-KRWDZBQOSA-N 1 2 315.417 0.588 10 0 DCAELO C[C@@H](c1nnnn1C1CCCCC1)[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000375479035 396754878 /nfs/dbraw/zinc/75/48/78/396754878.db2.gz WWHFKRWBXLFNLX-XHDPSFHLSA-N 1 2 322.413 0.552 10 0 DCAELO C[C@@H](c1nnnn1C1CCCCC1)[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000375479035 396754883 /nfs/dbraw/zinc/75/48/83/396754883.db2.gz WWHFKRWBXLFNLX-XHDPSFHLSA-N 1 2 322.413 0.552 10 0 DCAELO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2nnnn2Cc2ccccc2)C1 ZINC000309875088 396759634 /nfs/dbraw/zinc/75/96/34/396759634.db2.gz SVSRXHGRFKCPOF-UONOGXRCSA-N 1 2 303.366 0.303 10 0 DCAELO CO[C@@H]1C[C@@H](CO)[N@@H+](Cc2nnnn2Cc2ccccc2)C1 ZINC000309875088 396759636 /nfs/dbraw/zinc/75/96/36/396759636.db2.gz SVSRXHGRFKCPOF-UONOGXRCSA-N 1 2 303.366 0.303 10 0 DCAELO O=S(=O)(CC[C@H]1CCCO1)NC[C@H]1CCn2cc[nH+]c2C1 ZINC000328639757 396829397 /nfs/dbraw/zinc/82/93/97/396829397.db2.gz XBYOFKCPQZLLNU-QWHCGFSZSA-N 1 2 313.423 0.934 10 0 DCAELO Cc1cnc(C)c(N2CCO[C@@H](C[NH+]3CCN(C)CC3)C2)n1 ZINC000375987683 396857602 /nfs/dbraw/zinc/85/76/02/396857602.db2.gz VRVCUXLONSITFC-HNNXBMFYSA-N 1 2 305.426 0.546 10 0 DCAELO CC(=O)NCC[N@@H+](C[C@H](C)CO)[C@H](C)C(=O)OC(C)(C)C ZINC000611576317 396889035 /nfs/dbraw/zinc/88/90/35/396889035.db2.gz PEACPYSXGGBBHV-NWDGAFQWSA-N 1 2 302.415 0.783 10 0 DCAELO CC(=O)NCC[N@H+](C[C@H](C)CO)[C@H](C)C(=O)OC(C)(C)C ZINC000611576317 396889038 /nfs/dbraw/zinc/88/90/38/396889038.db2.gz PEACPYSXGGBBHV-NWDGAFQWSA-N 1 2 302.415 0.783 10 0 DCAELO CS[C@H](CO)[C@@H](C)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000569876618 396921059 /nfs/dbraw/zinc/92/10/59/396921059.db2.gz RAEFDRZVVOUUTA-MWLCHTKSSA-N 1 2 322.390 0.501 10 0 DCAELO O=C(C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O)NC1CCCCCC1 ZINC000377295737 397063176 /nfs/dbraw/zinc/06/31/76/397063176.db2.gz BDKFASNTFHGEJT-MRXNPFEDSA-N 1 2 322.409 0.499 10 0 DCAELO O=C(C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O)NC1CCCCCC1 ZINC000377295737 397063181 /nfs/dbraw/zinc/06/31/81/397063181.db2.gz BDKFASNTFHGEJT-MRXNPFEDSA-N 1 2 322.409 0.499 10 0 DCAELO CC(=O)N1CCN(C(=O)[C@H]2CCn3cc(C)[nH+]c3C2)[C@H](C)C1 ZINC000626138518 397088520 /nfs/dbraw/zinc/08/85/20/397088520.db2.gz YXBRTHJHBHUKQU-OCCSQVGLSA-N 1 2 304.394 0.833 10 0 DCAELO CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCO[C@@H](CCF)C2)CC1 ZINC000626001698 397050871 /nfs/dbraw/zinc/05/08/71/397050871.db2.gz WTIWLYNQLXMZGT-OCCSQVGLSA-N 1 2 315.389 0.126 10 0 DCAELO CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCO[C@@H](CCF)C2)CC1 ZINC000626001698 397050874 /nfs/dbraw/zinc/05/08/74/397050874.db2.gz WTIWLYNQLXMZGT-OCCSQVGLSA-N 1 2 315.389 0.126 10 0 DCAELO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1C[C@H](F)C[C@H]1CO ZINC000364623826 397228581 /nfs/dbraw/zinc/22/85/81/397228581.db2.gz OKLJHYLMFMOFGN-NDBYEHHHSA-N 1 2 315.389 0.796 10 0 DCAELO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1C[C@H](F)C[C@H]1CO ZINC000364623826 397228587 /nfs/dbraw/zinc/22/85/87/397228587.db2.gz OKLJHYLMFMOFGN-NDBYEHHHSA-N 1 2 315.389 0.796 10 0 DCAELO Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)c2nnnn2C)on1 ZINC000578380922 397430378 /nfs/dbraw/zinc/43/03/78/397430378.db2.gz UVMBAJIQUKGNLS-QWRGUYRKSA-N 1 2 309.349 0.555 10 0 DCAELO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)c2nnnn2C)on1 ZINC000578380922 397430381 /nfs/dbraw/zinc/43/03/81/397430381.db2.gz UVMBAJIQUKGNLS-QWRGUYRKSA-N 1 2 309.349 0.555 10 0 DCAELO COC(=O)C1CCN(C(=O)C[N@@H+]2CCO[C@H](C3CC3)C2)CC1 ZINC000614408615 397432970 /nfs/dbraw/zinc/43/29/70/397432970.db2.gz SBZDBJZVAGFAIW-AWEZNQCLSA-N 1 2 310.394 0.509 10 0 DCAELO COC(=O)C1CCN(C(=O)C[N@H+]2CCO[C@H](C3CC3)C2)CC1 ZINC000614408615 397432973 /nfs/dbraw/zinc/43/29/73/397432973.db2.gz SBZDBJZVAGFAIW-AWEZNQCLSA-N 1 2 310.394 0.509 10 0 DCAELO C=CC(=O)NCCC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000371264729 397564490 /nfs/dbraw/zinc/56/44/90/397564490.db2.gz QJUUAFDPGVMWIN-ZDUSSCGKSA-N 1 2 304.394 0.894 10 0 DCAELO O=C(CCC(=O)N1CCOCC1)Nc1ccc2[nH+]ccn2c1 ZINC000603883890 397625342 /nfs/dbraw/zinc/62/53/42/397625342.db2.gz HVVUNZQVWYCLSB-UHFFFAOYSA-N 1 2 302.334 0.912 10 0 DCAELO CCS(=O)(=O)CCNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106916875 286608874 /nfs/dbraw/zinc/60/88/74/286608874.db2.gz CIQSGHLGYYJLSZ-AWEZNQCLSA-N 1 2 312.435 0.710 10 0 DCAELO CC(C)(CNC(=O)NC[C@H]1CCCC[C@H]1O)[NH+]1CCOCC1 ZINC000077752768 158070691 /nfs/dbraw/zinc/07/06/91/158070691.db2.gz XHDHCIPGGVLAOV-ZIAGYGMSSA-N 1 2 313.442 0.948 10 0 DCAELO COc1c(C)cc(C[N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1C ZINC000091866212 158111075 /nfs/dbraw/zinc/11/10/75/158111075.db2.gz PWGCMNGBGLXGCM-CQSZACIVSA-N 1 2 317.389 0.455 10 0 DCAELO COc1c(C)cc(C[N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1C ZINC000091866212 158111078 /nfs/dbraw/zinc/11/10/78/158111078.db2.gz PWGCMNGBGLXGCM-CQSZACIVSA-N 1 2 317.389 0.455 10 0 DCAELO Cc1nn(C)c(C)c1CCC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000114857104 158157597 /nfs/dbraw/zinc/15/75/97/158157597.db2.gz ZLZIDMOJMUBLLS-HNNXBMFYSA-N 1 2 320.437 0.949 10 0 DCAELO Cc1nn(C)c(C)c1CCC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000114857104 158157601 /nfs/dbraw/zinc/15/76/01/158157601.db2.gz ZLZIDMOJMUBLLS-HNNXBMFYSA-N 1 2 320.437 0.949 10 0 DCAELO CCc1nc2n(n1)C[C@@H](NC(=O)NCCn1cc[nH+]c1)CC2 ZINC000114908037 158159168 /nfs/dbraw/zinc/15/91/68/158159168.db2.gz GJGVNAVCAIQZPA-NSHDSACASA-N 1 2 303.370 0.351 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)N2CCC(Cn3ccnn3)CC2)C1 ZINC000120241530 158195092 /nfs/dbraw/zinc/19/50/92/158195092.db2.gz HMPXPQJJRIUMRQ-CQSZACIVSA-N 1 2 322.413 0.030 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)N2CCC(Cn3ccnn3)CC2)C1 ZINC000120241530 158195095 /nfs/dbraw/zinc/19/50/95/158195095.db2.gz HMPXPQJJRIUMRQ-CQSZACIVSA-N 1 2 322.413 0.030 10 0 DCAELO CC(C)C(=O)NCCCNC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000121872437 158216469 /nfs/dbraw/zinc/21/64/69/158216469.db2.gz YZKZPRJUJPCOOP-ZDUSSCGKSA-N 1 2 314.430 0.169 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)NCC(C)(C)c2ccncc2)C1 ZINC000126991397 158269876 /nfs/dbraw/zinc/26/98/76/158269876.db2.gz NVVIDQGDPAKNEN-AWEZNQCLSA-N 1 2 306.410 0.989 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)NCC(C)(C)c2ccncc2)C1 ZINC000126991397 158269877 /nfs/dbraw/zinc/26/98/77/158269877.db2.gz NVVIDQGDPAKNEN-AWEZNQCLSA-N 1 2 306.410 0.989 10 0 DCAELO C[C@H](CNC(=O)N[C@@H](CO)CC(C)(C)C)[NH+]1CCOCC1 ZINC000128305596 158279956 /nfs/dbraw/zinc/27/99/56/158279956.db2.gz NQGXJDQRQMPMCH-CHWSQXEVSA-N 1 2 301.431 0.803 10 0 DCAELO COC(=O)[C@H]1CS(=O)(=O)CCN1Cc1c[nH+]c2ccccn12 ZINC000129616742 158289578 /nfs/dbraw/zinc/28/95/78/158289578.db2.gz OWVPXFJIHTWCJL-GFCCVEGCSA-N 1 2 323.374 0.106 10 0 DCAELO CC(C)Cn1cc[nH+]c1CNC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC000131054992 158298347 /nfs/dbraw/zinc/29/83/47/158298347.db2.gz VATZKSQHWLRGHI-LBPRGKRZSA-N 1 2 307.398 0.946 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)CNC(=O)CC2CCCCC2)C1 ZINC000171286445 158382002 /nfs/dbraw/zinc/38/20/02/158382002.db2.gz INLWACOVMJJXMX-AWEZNQCLSA-N 1 2 311.426 0.520 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)CNC(=O)CC2CCCCC2)C1 ZINC000171286445 158382006 /nfs/dbraw/zinc/38/20/06/158382006.db2.gz INLWACOVMJJXMX-AWEZNQCLSA-N 1 2 311.426 0.520 10 0 DCAELO Cn1ncc2c1nc[nH+]c2N1CCCN(c2cccnn2)CC1 ZINC000171544088 158382903 /nfs/dbraw/zinc/38/29/03/158382903.db2.gz ZLTNCIRBAWGSRT-UHFFFAOYSA-N 1 2 310.365 0.870 10 0 DCAELO COC(C)(C)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000171597135 158384822 /nfs/dbraw/zinc/38/48/22/158384822.db2.gz MNHOIZHNALVCLM-AWEZNQCLSA-N 1 2 302.440 0.736 10 0 DCAELO O=C(CNC(=O)c1cccs1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172748600 158398705 /nfs/dbraw/zinc/39/87/05/158398705.db2.gz FLJNVCOYSPQSRX-LBPRGKRZSA-N 1 2 323.418 0.411 10 0 DCAELO O=C(CCNC(=O)c1ccco1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172765776 158399428 /nfs/dbraw/zinc/39/94/28/158399428.db2.gz UKEFABDUSCMRSJ-CYBMUJFWSA-N 1 2 321.377 0.333 10 0 DCAELO C[C@H](CC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C)N1CCCCC1=O ZINC000328755029 159027230 /nfs/dbraw/zinc/02/72/30/159027230.db2.gz SQKPMVKQDTZIQY-MCIONIFRSA-N 1 2 309.410 0.319 10 0 DCAELO C[C@H](CC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C)N1CCCCC1=O ZINC000328755029 159027231 /nfs/dbraw/zinc/02/72/31/159027231.db2.gz SQKPMVKQDTZIQY-MCIONIFRSA-N 1 2 309.410 0.319 10 0 DCAELO C[C@@H]1CN(C(=O)[C@H]2CCc3n[nH]nc3C2)C[C@@H]1[NH+]1CCOCC1 ZINC000328766020 159028216 /nfs/dbraw/zinc/02/82/16/159028216.db2.gz GZXBKQNZAKNWGI-XUJVJEKNSA-N 1 2 319.409 0.089 10 0 DCAELO Cn1c(-c2cccnc2)nnc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000328802554 159030357 /nfs/dbraw/zinc/03/03/57/159030357.db2.gz MKRBSPHMUMESDU-AWEZNQCLSA-N 1 2 314.393 0.788 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnc4nccnc4c3)C[C@@H]21 ZINC000328852402 159035196 /nfs/dbraw/zinc/03/51/96/159035196.db2.gz BUBOTCPXLYGKLB-KBPBESRZSA-N 1 2 313.361 0.570 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)c3cnc4nccnc4c3)C[C@@H]21 ZINC000328852402 159035197 /nfs/dbraw/zinc/03/51/97/159035197.db2.gz BUBOTCPXLYGKLB-KBPBESRZSA-N 1 2 313.361 0.570 10 0 DCAELO Cn1ncc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1C1CC1 ZINC000328888374 159037864 /nfs/dbraw/zinc/03/78/64/159037864.db2.gz QBLHZNCFDXDYGV-ZDUSSCGKSA-N 1 2 304.394 0.844 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc4nncn4c3)C[C@@H]21 ZINC000328892091 159038685 /nfs/dbraw/zinc/03/86/85/159038685.db2.gz SXRLBISEFXBGFN-QWHCGFSZSA-N 1 2 301.350 0.274 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc4nncn4c3)C[C@@H]21 ZINC000328892091 159038689 /nfs/dbraw/zinc/03/86/89/159038689.db2.gz SXRLBISEFXBGFN-QWHCGFSZSA-N 1 2 301.350 0.274 10 0 DCAELO CCN1CCOC[C@@H]1C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000329064564 159057210 /nfs/dbraw/zinc/05/72/10/159057210.db2.gz OOAVQILNJLFGJJ-LSDHHAIUSA-N 1 2 305.378 0.782 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnn4ncccc34)C[C@@H]21 ZINC000329205900 159073699 /nfs/dbraw/zinc/07/36/99/159073699.db2.gz XGCIALWGHIECSY-UONOGXRCSA-N 1 2 301.350 0.274 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnn4ncccc34)C[C@@H]21 ZINC000329205900 159073700 /nfs/dbraw/zinc/07/37/00/159073700.db2.gz XGCIALWGHIECSY-UONOGXRCSA-N 1 2 301.350 0.274 10 0 DCAELO Cn1[nH]c(C[NH+]2CCC(c3noc(C4CC4)n3)CC2)nc1=O ZINC000329595326 159105841 /nfs/dbraw/zinc/10/58/41/159105841.db2.gz BSXFZIMZENCQHO-UHFFFAOYSA-N 1 2 304.354 0.748 10 0 DCAELO CC1CCN(S(=O)(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CC1 ZINC000329678785 159111570 /nfs/dbraw/zinc/11/15/70/159111570.db2.gz VTHFLJLDRNSOMI-CQSZACIVSA-N 1 2 317.455 0.370 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ncn(C(C)(C)C)n3)C[C@H]21 ZINC000329751968 159116989 /nfs/dbraw/zinc/11/69/89/159116989.db2.gz VZIOAMZAZMUDDI-VXGBXAGGSA-N 1 2 307.398 0.578 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ncn(C(C)(C)C)n3)C[C@H]21 ZINC000329751968 159116991 /nfs/dbraw/zinc/11/69/91/159116991.db2.gz VZIOAMZAZMUDDI-VXGBXAGGSA-N 1 2 307.398 0.578 10 0 DCAELO C[N@@H+]1CCO[C@H]2CN(C(=O)[C@H]3CCO[C@@H]3c3cccnc3)C[C@@H]21 ZINC000330067084 159139583 /nfs/dbraw/zinc/13/95/83/159139583.db2.gz UDGDQZRBVWQDOK-YHUYYLMFSA-N 1 2 317.389 0.701 10 0 DCAELO C[N@H+]1CCO[C@H]2CN(C(=O)[C@H]3CCO[C@@H]3c3cccnc3)C[C@@H]21 ZINC000330067084 159139585 /nfs/dbraw/zinc/13/95/85/159139585.db2.gz UDGDQZRBVWQDOK-YHUYYLMFSA-N 1 2 317.389 0.701 10 0 DCAELO Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+]Cc2cn(C)nn2)CC(=O)N1C ZINC000330295913 159157502 /nfs/dbraw/zinc/15/75/02/159157502.db2.gz JRILQZPFOYFSOA-IUODEOHRSA-N 1 2 317.397 0.227 10 0 DCAELO Cn1nncc1CNC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000367938853 159366172 /nfs/dbraw/zinc/36/61/72/159366172.db2.gz ORZVAEGIENFDIR-LBPRGKRZSA-N 1 2 300.366 0.743 10 0 DCAELO COCC[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@@H](C)C2)C[C@@H]1C ZINC000407988073 160003963 /nfs/dbraw/zinc/00/39/63/160003963.db2.gz GBEZCVHFLMEELH-KGLIPLIRSA-N 1 2 311.426 0.424 10 0 DCAELO COCC[N@H+]1CCN(C(=O)C(=O)N2CCC[C@@H](C)C2)C[C@@H]1C ZINC000407988073 160003964 /nfs/dbraw/zinc/00/39/64/160003964.db2.gz GBEZCVHFLMEELH-KGLIPLIRSA-N 1 2 311.426 0.424 10 0 DCAELO COC(=O)C1(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000408021864 160014194 /nfs/dbraw/zinc/01/41/94/160014194.db2.gz JRCSFFVWTWOAFX-RYUDHWBXSA-N 1 2 311.382 0.054 10 0 DCAELO COC(=O)C1(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000408021864 160014196 /nfs/dbraw/zinc/01/41/96/160014196.db2.gz JRCSFFVWTWOAFX-RYUDHWBXSA-N 1 2 311.382 0.054 10 0 DCAELO C[C@@H]1CCCN(C(=O)C[N@H+](C)C[C@H]2CCS(=O)(=O)C2)C1 ZINC000408215833 160061410 /nfs/dbraw/zinc/06/14/10/160061410.db2.gz ANXUIJGQRMBPAX-CHWSQXEVSA-N 1 2 302.440 0.611 10 0 DCAELO C[C@@H]1CCCN(C(=O)C[N@@H+](C)C[C@H]2CCS(=O)(=O)C2)C1 ZINC000408215833 160061411 /nfs/dbraw/zinc/06/14/11/160061411.db2.gz ANXUIJGQRMBPAX-CHWSQXEVSA-N 1 2 302.440 0.611 10 0 DCAELO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2[C@H](C)C2(F)F)CC1 ZINC000408230176 160064540 /nfs/dbraw/zinc/06/45/40/160064540.db2.gz DAEFEKLBZDPNGV-JQWIXIFHSA-N 1 2 303.353 0.558 10 0 DCAELO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2[C@H](C)C2(F)F)CC1 ZINC000408230176 160064543 /nfs/dbraw/zinc/06/45/43/160064543.db2.gz DAEFEKLBZDPNGV-JQWIXIFHSA-N 1 2 303.353 0.558 10 0 DCAELO Cn1cc[nH+]c1[C@@H]1CN(C(=O)NC[C@]2(C)CCOC2)CCN1C ZINC000408302814 160080208 /nfs/dbraw/zinc/08/02/08/160080208.db2.gz JHIZONUTQDHIRL-BBRMVZONSA-N 1 2 321.425 0.845 10 0 DCAELO Cc1c(C(=O)N2CC[N@H+](CCO)[C@H](C)C2)[nH]c2c1C(=O)CCC2 ZINC000408379335 160095707 /nfs/dbraw/zinc/09/57/07/160095707.db2.gz ZKZSKGWYQPBJFI-LLVKDONJSA-N 1 2 319.405 0.981 10 0 DCAELO Cc1c(C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)[nH]c2c1C(=O)CCC2 ZINC000408379335 160095709 /nfs/dbraw/zinc/09/57/09/160095709.db2.gz ZKZSKGWYQPBJFI-LLVKDONJSA-N 1 2 319.405 0.981 10 0 DCAELO CC(=O)[C@](C)(O)C[NH+]1CCN(C(=O)NC2CCCCC2)CC1 ZINC000408455814 160111748 /nfs/dbraw/zinc/11/17/48/160111748.db2.gz FLLMYALACPRAAH-MRXNPFEDSA-N 1 2 311.426 0.986 10 0 DCAELO C[C@@H](CNC(=O)NCCCC(=O)NC1CC1)[NH+]1CCOCC1 ZINC000192784793 287059673 /nfs/dbraw/zinc/05/96/73/287059673.db2.gz RMGCRNOCFZSWGY-LBPRGKRZSA-N 1 2 312.414 0.065 10 0 DCAELO CNC(=O)[C@@H]1CCCC[N@@H+]1CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000245893153 287074157 /nfs/dbraw/zinc/07/41/57/287074157.db2.gz GXIYXTOMILLBAI-SOUVJXGZSA-N 1 2 323.437 0.757 10 0 DCAELO CNC(=O)[C@@H]1CCCC[N@H+]1CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000245893153 287074158 /nfs/dbraw/zinc/07/41/58/287074158.db2.gz GXIYXTOMILLBAI-SOUVJXGZSA-N 1 2 323.437 0.757 10 0 DCAELO C[C@@H](NC(=O)C[N@@H+]1CCS[C@@H](C)C1)C(=O)N1CCCCC1 ZINC000246063950 287075885 /nfs/dbraw/zinc/07/58/85/287075885.db2.gz ANKPNUFQCDEQLT-QWHCGFSZSA-N 1 2 313.467 0.941 10 0 DCAELO C[C@@H](NC(=O)C[N@H+]1CCS[C@@H](C)C1)C(=O)N1CCCCC1 ZINC000246063950 287075889 /nfs/dbraw/zinc/07/58/89/287075889.db2.gz ANKPNUFQCDEQLT-QWHCGFSZSA-N 1 2 313.467 0.941 10 0 DCAELO C[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247220982 287092003 /nfs/dbraw/zinc/09/20/03/287092003.db2.gz VLXMTKDZDPZSJK-VXGBXAGGSA-N 1 2 303.428 0.011 10 0 DCAELO C[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247220982 287092006 /nfs/dbraw/zinc/09/20/06/287092006.db2.gz VLXMTKDZDPZSJK-VXGBXAGGSA-N 1 2 303.428 0.011 10 0 DCAELO C[C@H](C[S@](C)=O)[N@H+](C)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000248449831 287097418 /nfs/dbraw/zinc/09/74/18/287097418.db2.gz FGOSYDSRFXKSKO-VOUMKBAESA-N 1 2 316.467 0.855 10 0 DCAELO C[C@H](C[S@](C)=O)[N@@H+](C)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000248449831 287097422 /nfs/dbraw/zinc/09/74/22/287097422.db2.gz FGOSYDSRFXKSKO-VOUMKBAESA-N 1 2 316.467 0.855 10 0 DCAELO C[C@@](O)(CNC(=O)NCC[NH+]1CCOCC1)C1CCCCC1 ZINC000358314216 287207265 /nfs/dbraw/zinc/20/72/65/287207265.db2.gz VEOMDGRFOPREIV-MRXNPFEDSA-N 1 2 313.442 0.949 10 0 DCAELO Cc1nc(N2CCN(C(=O)N[C@H]3CCO[C@@H]3C)CC2)cc[nH+]1 ZINC000274176797 415330528 /nfs/dbraw/zinc/33/05/28/415330528.db2.gz JCCWKIDZZYDUBI-YPMHNXCESA-N 1 2 305.382 0.794 10 0 DCAELO CCN1CCCN(C(=O)NCc2cn3c([nH+]2)CCCC3)CC1=O ZINC000276064112 415421252 /nfs/dbraw/zinc/42/12/52/415421252.db2.gz LEELDDFCWPIMNF-UHFFFAOYSA-N 1 2 319.409 0.983 10 0 DCAELO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000333060690 415545955 /nfs/dbraw/zinc/54/59/55/415545955.db2.gz SFWXRAVPXZBTLA-BPLDGKMQSA-N 1 2 311.426 0.916 10 0 DCAELO CCCN1C[C@H](C(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)CC1=O ZINC000333206717 415582148 /nfs/dbraw/zinc/58/21/48/415582148.db2.gz YZNNOLSAWANZMQ-MGPQQGTHSA-N 1 2 309.410 0.176 10 0 DCAELO CCCN1C[C@H](C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)CC1=O ZINC000333206717 415582154 /nfs/dbraw/zinc/58/21/54/415582154.db2.gz YZNNOLSAWANZMQ-MGPQQGTHSA-N 1 2 309.410 0.176 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc4n[nH]nc4c3)C[C@H]21 ZINC000284387497 415598651 /nfs/dbraw/zinc/59/86/51/415598651.db2.gz BBFPYFMEKMVTNC-ZIAGYGMSSA-N 1 2 301.350 0.503 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc4n[nH]nc4c3)C[C@H]21 ZINC000284387497 415598678 /nfs/dbraw/zinc/59/86/78/415598678.db2.gz BBFPYFMEKMVTNC-ZIAGYGMSSA-N 1 2 301.350 0.503 10 0 DCAELO CC(C)(C)c1nc(CNC(=O)N2CC[NH2+]C[C@@](C)(F)C2)n[nH]1 ZINC000333524794 415673601 /nfs/dbraw/zinc/67/36/01/415673601.db2.gz HCLTYLHMIYEVIW-CQSZACIVSA-N 1 2 312.393 0.945 10 0 DCAELO CCC(CC)(CO)CNC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000127944519 415890777 /nfs/dbraw/zinc/89/07/77/415890777.db2.gz JZDBYSQNEBKBBW-ZDUSSCGKSA-N 1 2 301.431 0.805 10 0 DCAELO COc1csc(C(=O)NC[C@H](O)C[NH+]2CCOCC2)c1 ZINC000133109782 415941472 /nfs/dbraw/zinc/94/14/72/415941472.db2.gz NSJVORDBOIYPEW-JTQLQIEISA-N 1 2 300.380 0.180 10 0 DCAELO CCOCC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(C)on2)C[C@H]1C ZINC000172218148 416044366 /nfs/dbraw/zinc/04/43/66/416044366.db2.gz OLFHNJPMIMZVQL-LLVKDONJSA-N 1 2 324.381 0.491 10 0 DCAELO CCOCC[N@H+]1CCN(C(=O)C(=O)Nc2cc(C)on2)C[C@H]1C ZINC000172218148 416044369 /nfs/dbraw/zinc/04/43/69/416044369.db2.gz OLFHNJPMIMZVQL-LLVKDONJSA-N 1 2 324.381 0.491 10 0 DCAELO COC(=O)[C@@H]1CCC[C@H](C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000173330121 416056775 /nfs/dbraw/zinc/05/67/75/416056775.db2.gz DZVCWGMSQCJQDI-ZNMIVQPWSA-N 1 2 324.421 0.899 10 0 DCAELO O=C(CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)N1CCCCC1 ZINC000173785094 416065382 /nfs/dbraw/zinc/06/53/82/416065382.db2.gz ZGFGALRPHZECHZ-CQSZACIVSA-N 1 2 324.425 0.115 10 0 DCAELO O=c1cc(CN2CC[C@H]([NH+]3CCOCC3)C2)nc2sccn21 ZINC000173994206 416070746 /nfs/dbraw/zinc/07/07/46/416070746.db2.gz IAJDHLGNJJDFQU-ZDUSSCGKSA-N 1 2 320.418 0.663 10 0 DCAELO CCc1[nH+]c2ccccc2n1CC(=O)NC1(c2nn[nH]n2)CC1 ZINC000357048020 416025748 /nfs/dbraw/zinc/02/57/48/416025748.db2.gz GGVYRFXYQMHTAM-UHFFFAOYSA-N 1 2 311.349 0.917 10 0 DCAELO C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000170821858 416033554 /nfs/dbraw/zinc/03/35/54/416033554.db2.gz KJDKOLFVSSQWNQ-WFASDCNBSA-N 1 2 317.389 0.982 10 0 DCAELO CN1CC[C@H](Nc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)C1=O ZINC000301339020 416081583 /nfs/dbraw/zinc/08/15/83/416081583.db2.gz DGTIERDOWDDCEO-NEPJUHHUSA-N 1 2 305.382 0.328 10 0 DCAELO CN1CC[C@H](Nc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)C1=O ZINC000301339020 416081585 /nfs/dbraw/zinc/08/15/85/416081585.db2.gz DGTIERDOWDDCEO-NEPJUHHUSA-N 1 2 305.382 0.328 10 0 DCAELO O[C@@H](CNc1ncnc2c(F)cccc12)C[NH+]1CCOCC1 ZINC000302786714 416099451 /nfs/dbraw/zinc/09/94/51/416099451.db2.gz WFKXWYWURPKOHA-NSHDSACASA-N 1 2 306.341 0.874 10 0 DCAELO C[NH+]1CCN([C@H]2CCCCN(C(=O)Cc3cc[nH]n3)C2)CC1 ZINC000175992939 416118740 /nfs/dbraw/zinc/11/87/40/416118740.db2.gz FHGOXTWNWJOQCT-HNNXBMFYSA-N 1 2 305.426 0.581 10 0 DCAELO Cc1csc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)n1 ZINC000176079698 416119387 /nfs/dbraw/zinc/11/93/87/416119387.db2.gz ONXAPLYXOFLFHG-NSHDSACASA-N 1 2 324.406 0.323 10 0 DCAELO C[C@H](CNC(=O)N[C@H]1CCCn2ncnc21)[NH+]1CCOCC1 ZINC000176396034 416126088 /nfs/dbraw/zinc/12/60/88/416126088.db2.gz QNNQZFIYMAYABD-NEPJUHHUSA-N 1 2 308.386 0.133 10 0 DCAELO C[C@@H](CS(C)(=O)=O)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000176510778 416127609 /nfs/dbraw/zinc/12/76/09/416127609.db2.gz WMLRPQDFZNDLSV-NSHDSACASA-N 1 2 322.390 0.564 10 0 DCAELO O=C1[C@H]([N@@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)CCN1c1ccccc1 ZINC000329171749 416155023 /nfs/dbraw/zinc/15/50/23/416155023.db2.gz KSAXVFCGPGUBKH-NWANDNLSSA-N 1 2 320.414 0.911 10 0 DCAELO O=C1[C@H]([N@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)CCN1c1ccccc1 ZINC000329171749 416155027 /nfs/dbraw/zinc/15/50/27/416155027.db2.gz KSAXVFCGPGUBKH-NWANDNLSSA-N 1 2 320.414 0.911 10 0 DCAELO O=C(CCOc1ccc(F)cc1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178660155 416167390 /nfs/dbraw/zinc/16/73/90/416167390.db2.gz LJMMCKGAFHMXNW-AWEZNQCLSA-N 1 2 307.369 0.711 10 0 DCAELO Cc1cc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)c2cnn(C)c2n1 ZINC000178645803 416168395 /nfs/dbraw/zinc/16/83/95/416168395.db2.gz CIOPKDZIENMCLM-GFCCVEGCSA-N 1 2 314.393 0.006 10 0 DCAELO O=C(C[N@H+]1CCSC[C@@H]1CO)N1CCO[C@H]2CCCC[C@@H]21 ZINC000329672734 416183249 /nfs/dbraw/zinc/18/32/49/416183249.db2.gz URTYUYGFKOXIPM-IHRRRGAJSA-N 1 2 314.451 0.566 10 0 DCAELO O=C(C[N@@H+]1CCSC[C@@H]1CO)N1CCO[C@H]2CCCC[C@@H]21 ZINC000329672734 416183252 /nfs/dbraw/zinc/18/32/52/416183252.db2.gz URTYUYGFKOXIPM-IHRRRGAJSA-N 1 2 314.451 0.566 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCCC[C@@H]2c2cn[nH]c2)C1 ZINC000182704963 416230189 /nfs/dbraw/zinc/23/01/89/416230189.db2.gz JXYCFUBGSSPIDR-UONOGXRCSA-N 1 2 307.398 0.977 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)N2CCCC[C@@H]2c2cn[nH]c2)C1 ZINC000182704963 416230193 /nfs/dbraw/zinc/23/01/93/416230193.db2.gz JXYCFUBGSSPIDR-UONOGXRCSA-N 1 2 307.398 0.977 10 0 DCAELO O=C1NCC[C@@H]1[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC000178204877 416159272 /nfs/dbraw/zinc/15/92/72/416159272.db2.gz QVTTXILSAQTJEF-NSHDSACASA-N 1 2 303.391 0.702 10 0 DCAELO COC(=O)c1coc(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)c1 ZINC000183544190 416244789 /nfs/dbraw/zinc/24/47/89/416244789.db2.gz QCJWAZMDAXJNJC-WDEREUQCSA-N 1 2 310.350 0.905 10 0 DCAELO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2cc(C)[nH]n2)CC1 ZINC000187169354 416260958 /nfs/dbraw/zinc/26/09/58/416260958.db2.gz NNJRKBLAQRCVCQ-CYBMUJFWSA-N 1 2 309.414 0.381 10 0 DCAELO COCc1noc(CN2CC[NH+](C[C@H](O)C(F)(F)F)CC2)n1 ZINC000189612531 416268589 /nfs/dbraw/zinc/26/85/89/416268589.db2.gz NCYWJWFSZUIROH-VIFPVBQESA-N 1 2 324.303 0.257 10 0 DCAELO Cc1ccc(F)c(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1 ZINC000190051738 416273517 /nfs/dbraw/zinc/27/35/17/416273517.db2.gz IPBSYHSXTALRNV-GFCCVEGCSA-N 1 2 323.368 0.598 10 0 DCAELO Cc1ccc(F)c(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1 ZINC000190051738 416273521 /nfs/dbraw/zinc/27/35/21/416273521.db2.gz IPBSYHSXTALRNV-GFCCVEGCSA-N 1 2 323.368 0.598 10 0 DCAELO CC(C)(O)C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000191818303 416290234 /nfs/dbraw/zinc/29/02/34/416290234.db2.gz LXQUFRZKERGVHT-CQSZACIVSA-N 1 2 322.405 0.341 10 0 DCAELO CC[C@@H]1C[N@H+](C[C@H](C)CS(C)(=O)=O)CCN1C[C@H](C)O ZINC000246571255 416332011 /nfs/dbraw/zinc/33/20/11/416332011.db2.gz NZRZGVNSBNMQJP-MELADBBJSA-N 1 2 306.472 0.444 10 0 DCAELO CC[C@@H]1C[N@@H+](C[C@H](C)CS(C)(=O)=O)CCN1C[C@H](C)O ZINC000246571255 416332012 /nfs/dbraw/zinc/33/20/12/416332012.db2.gz NZRZGVNSBNMQJP-MELADBBJSA-N 1 2 306.472 0.444 10 0 DCAELO CN(Cc1ccnn1C)c1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000359894995 416364586 /nfs/dbraw/zinc/36/45/86/416364586.db2.gz DOXGPGXSPZLXSJ-CYBMUJFWSA-N 1 2 302.382 0.808 10 0 DCAELO CN(Cc1ccnn1C)c1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000359894995 416364588 /nfs/dbraw/zinc/36/45/88/416364588.db2.gz DOXGPGXSPZLXSJ-CYBMUJFWSA-N 1 2 302.382 0.808 10 0 DCAELO Cn1nccc1[C@@H]1CCCC[N@@H+]1CC(=O)NC(=O)NC1CC1 ZINC000532888299 416462905 /nfs/dbraw/zinc/46/29/05/416462905.db2.gz QIWLLPPKBNKCFS-ZDUSSCGKSA-N 1 2 305.382 0.935 10 0 DCAELO Cn1nccc1[C@@H]1CCCC[N@H+]1CC(=O)NC(=O)NC1CC1 ZINC000532888299 416462910 /nfs/dbraw/zinc/46/29/10/416462910.db2.gz QIWLLPPKBNKCFS-ZDUSSCGKSA-N 1 2 305.382 0.935 10 0 DCAELO CN1CCN(C(=O)NCC[C@H]2CCCO2)C[C@H]1c1[nH]cc[nH+]1 ZINC000583615096 416477329 /nfs/dbraw/zinc/47/73/29/416477329.db2.gz PVXICSCHWCELEX-OLZOCXBDSA-N 1 2 307.398 0.977 10 0 DCAELO CN(C)c1noc(C[NH2+][C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)n1 ZINC000583620215 416480264 /nfs/dbraw/zinc/48/02/64/416480264.db2.gz ZTVCWWMJBMJQNL-RISCZKNCSA-N 1 2 316.365 0.592 10 0 DCAELO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000361205122 416425785 /nfs/dbraw/zinc/42/57/85/416425785.db2.gz PVCAXPSYWFCUJV-UMSGYPCISA-N 1 2 313.398 0.489 10 0 DCAELO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000361205122 416425787 /nfs/dbraw/zinc/42/57/87/416425787.db2.gz PVCAXPSYWFCUJV-UMSGYPCISA-N 1 2 313.398 0.489 10 0 DCAELO CC(C)c1nn(C)cc1NC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000361934894 416526620 /nfs/dbraw/zinc/52/66/20/416526620.db2.gz FNUMQUJZFQQECR-NSHDSACASA-N 1 2 307.398 0.645 10 0 DCAELO CC(C)c1nn(C)cc1NC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000361934894 416526625 /nfs/dbraw/zinc/52/66/25/416526625.db2.gz FNUMQUJZFQQECR-NSHDSACASA-N 1 2 307.398 0.645 10 0 DCAELO Cc1ccc(-c2noc(C[N@@H+]3CC[C@H](S(N)(=O)=O)C3)n2)cc1 ZINC000540062260 416587092 /nfs/dbraw/zinc/58/70/92/416587092.db2.gz QZKHXOUSOHOIGR-LBPRGKRZSA-N 1 2 322.390 0.908 10 0 DCAELO Cc1ccc(-c2noc(C[N@H+]3CC[C@H](S(N)(=O)=O)C3)n2)cc1 ZINC000540062260 416587097 /nfs/dbraw/zinc/58/70/97/416587097.db2.gz QZKHXOUSOHOIGR-LBPRGKRZSA-N 1 2 322.390 0.908 10 0 DCAELO C[C@H]1C[N@@H+]([C@H]2CCc3ccccc3NC2=O)CCN1CCO ZINC000364588041 416588656 /nfs/dbraw/zinc/58/86/56/416588656.db2.gz OLMKZJCWGGOELO-BBRMVZONSA-N 1 2 303.406 0.938 10 0 DCAELO C[C@H]1C[N@H+]([C@H]2CCc3ccccc3NC2=O)CCN1CCO ZINC000364588041 416588658 /nfs/dbraw/zinc/58/86/58/416588658.db2.gz OLMKZJCWGGOELO-BBRMVZONSA-N 1 2 303.406 0.938 10 0 DCAELO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1ncn(C(C)(C)C)n1 ZINC000542437209 416624369 /nfs/dbraw/zinc/62/43/69/416624369.db2.gz QGINKOSRAMLRBH-GFCCVEGCSA-N 1 2 323.445 0.791 10 0 DCAELO CCc1nc(C(C)(C)[NH2+]C[C@H](O)CO[C@@H](C)COC)no1 ZINC000441260107 416667512 /nfs/dbraw/zinc/66/75/12/416667512.db2.gz GGELZMWNXAZFDV-QWRGUYRKSA-N 1 2 301.387 0.869 10 0 DCAELO COC(=O)C(C)(C)CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000557385092 416732671 /nfs/dbraw/zinc/73/26/71/416732671.db2.gz WUEJESOXUGWFGT-UHFFFAOYSA-N 1 2 318.333 0.588 10 0 DCAELO CCO[C@H]1C[C@@]([NH2+]CCC(=O)N(C)C)(C(=O)OC)C1(C)C ZINC000444762173 416871030 /nfs/dbraw/zinc/87/10/30/416871030.db2.gz YTOUJWXAWQDNQX-XHDPSFHLSA-N 1 2 300.399 0.801 10 0 DCAELO O=C([C@H]1CCCC12OCCO2)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000375103558 416997355 /nfs/dbraw/zinc/99/73/55/416997355.db2.gz XNPBTMCZFVIISJ-HUUCEWRRSA-N 1 2 324.421 0.853 10 0 DCAELO COC(=O)[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000525219407 417130302 /nfs/dbraw/zinc/13/03/02/417130302.db2.gz UBFQRJKAMCEROB-NSHDSACASA-N 1 2 315.333 0.688 10 0 DCAELO O=S1(=O)CC[C@@H](C[N@H+]2CCC[C@](O)(C(F)(F)F)C2)C1 ZINC000408400098 417159222 /nfs/dbraw/zinc/15/92/22/417159222.db2.gz OMZWAHPIDFBQCA-VHSXEESVSA-N 1 2 301.330 0.810 10 0 DCAELO O=S1(=O)CC[C@@H](C[N@@H+]2CCC[C@](O)(C(F)(F)F)C2)C1 ZINC000408400098 417159227 /nfs/dbraw/zinc/15/92/27/417159227.db2.gz OMZWAHPIDFBQCA-VHSXEESVSA-N 1 2 301.330 0.810 10 0 DCAELO CN(C[C@H]1C[N@H+](C)CCO1)S(=O)(=O)c1ccccc1O ZINC000632631620 417202572 /nfs/dbraw/zinc/20/25/72/417202572.db2.gz CTULLJDSTJSMPM-LLVKDONJSA-N 1 2 300.380 0.343 10 0 DCAELO CN(C[C@H]1C[N@@H+](C)CCO1)S(=O)(=O)c1ccccc1O ZINC000632631620 417202578 /nfs/dbraw/zinc/20/25/78/417202578.db2.gz CTULLJDSTJSMPM-LLVKDONJSA-N 1 2 300.380 0.343 10 0 DCAELO CNc1nc(NCC(=O)NCC(F)(F)F)[nH+]c2ccccc21 ZINC000450285731 417211833 /nfs/dbraw/zinc/21/18/33/417211833.db2.gz MHMUGJJSSRKIIT-UHFFFAOYSA-N 1 2 313.283 0.606 10 0 DCAELO C[C@H]1C[N@H+](Cc2cccc3c2OCCCO3)C[C@H](C(N)=O)O1 ZINC000628419874 417619731 /nfs/dbraw/zinc/61/97/31/417619731.db2.gz GAZWUDJDEBXMJQ-SMDDNHRTSA-N 1 2 306.362 0.923 10 0 DCAELO C[C@H]1C[N@@H+](Cc2cccc3c2OCCCO3)C[C@H](C(N)=O)O1 ZINC000628419874 417619737 /nfs/dbraw/zinc/61/97/37/417619737.db2.gz GAZWUDJDEBXMJQ-SMDDNHRTSA-N 1 2 306.362 0.923 10 0 DCAELO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1ncccc1Br ZINC000628921854 417727038 /nfs/dbraw/zinc/72/70/38/417727038.db2.gz LYPBIXHFFGCDMR-VIFPVBQESA-N 1 2 314.183 0.905 10 0 DCAELO C[N@H+]1CCOC[C@@H]1CNC(=O)c1ncccc1Br ZINC000628921854 417727042 /nfs/dbraw/zinc/72/70/42/417727042.db2.gz LYPBIXHFFGCDMR-VIFPVBQESA-N 1 2 314.183 0.905 10 0 DCAELO CCOc1cc(N[C@@H]2CS(=O)(=O)C[C@@H]2OC)nc(C)[nH+]1 ZINC000664273028 418109288 /nfs/dbraw/zinc/10/92/88/418109288.db2.gz PRTQEXSZMFQDIU-ZJUUUORDSA-N 1 2 301.368 0.408 10 0 DCAELO CCC[C@@H](C(=O)OCC)[N@@H+]1CCCN(CCOC)C(=O)C1 ZINC000190787714 261135893 /nfs/dbraw/zinc/13/58/93/261135893.db2.gz SXAOZBJHNMRHQL-ZDUSSCGKSA-N 1 2 300.399 0.899 10 0 DCAELO CCC[C@@H](C(=O)OCC)[N@H+]1CCCN(CCOC)C(=O)C1 ZINC000190787714 261135895 /nfs/dbraw/zinc/13/58/95/261135895.db2.gz SXAOZBJHNMRHQL-ZDUSSCGKSA-N 1 2 300.399 0.899 10 0 DCAELO COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)N1CC[NH+](C2CC2)CC1 ZINC000234572964 261154889 /nfs/dbraw/zinc/15/48/89/261154889.db2.gz RWINOWUCXIYQMB-STQMWFEESA-N 1 2 316.423 0.438 10 0 DCAELO CC(=O)Nc1ccc(O)c(C(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000356939991 261485961 /nfs/dbraw/zinc/48/59/61/261485961.db2.gz SQMGMJFAGPGVRY-ZFWWWQNUSA-N 1 2 319.361 0.506 10 0 DCAELO CC(=O)Nc1ccc(O)c(C(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000356939991 261485962 /nfs/dbraw/zinc/48/59/62/261485962.db2.gz SQMGMJFAGPGVRY-ZFWWWQNUSA-N 1 2 319.361 0.506 10 0 DCAELO COC(=O)[C@H]([NH2+]CCCN1C(=O)NC2(CCCC2)C1=O)C1CC1 ZINC000358797781 271074169 /nfs/dbraw/zinc/07/41/69/271074169.db2.gz APHGBYXQOIQMDC-GFCCVEGCSA-N 1 2 323.393 0.782 10 0 DCAELO COC[C@H](O)CN1CCNC(=O)[C@@H]1c1c(C)[nH+]c2ccccn21 ZINC000361465426 271181428 /nfs/dbraw/zinc/18/14/28/271181428.db2.gz RCFVZJOKWINFEH-DOMZBBRYSA-N 1 2 318.377 0.123 10 0 DCAELO CNC(=O)[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000193981356 277251568 /nfs/dbraw/zinc/25/15/68/277251568.db2.gz FZEFUBGLDLIFQF-WDEREUQCSA-N 1 2 321.343 0.998 10 0 DCAELO CNC(=O)[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000193981356 277251570 /nfs/dbraw/zinc/25/15/70/277251570.db2.gz FZEFUBGLDLIFQF-WDEREUQCSA-N 1 2 321.343 0.998 10 0 DCAELO Cc1cccn2cc(CC(=O)N3CCN4CCOC[C@@H]4C3)[nH+]c12 ZINC000543604806 287960730 /nfs/dbraw/zinc/96/07/30/287960730.db2.gz DZCAZMVLAPZCOA-HNNXBMFYSA-N 1 2 314.389 0.728 10 0 DCAELO Cc1nc(N2CCN(C(=O)C3(C(N)=O)CCC3)CC2)cc[nH+]1 ZINC000546818094 288031423 /nfs/dbraw/zinc/03/14/23/288031423.db2.gz QHZPTNMQPYNXQC-UHFFFAOYSA-N 1 2 303.366 0.089 10 0 DCAELO O=C(NC[C@H]1CCC[C@@H](O)C1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000552743950 288279812 /nfs/dbraw/zinc/27/98/12/288279812.db2.gz NPYDPSZLGBKGNJ-WCQYABFASA-N 1 2 316.361 0.940 10 0 DCAELO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CCO1 ZINC000552779492 288280403 /nfs/dbraw/zinc/28/04/03/288280403.db2.gz DZNCHVJAKNAEQB-MNOVXSKESA-N 1 2 302.334 0.957 10 0 DCAELO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1CCn2cncc2C1 ZINC000329693050 289047249 /nfs/dbraw/zinc/04/72/49/289047249.db2.gz GZNUQJNAWIFDBX-IIAWOOMASA-N 1 2 318.421 0.767 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)C[C@@H]21 ZINC000328874399 290083501 /nfs/dbraw/zinc/08/35/01/290083501.db2.gz JKAREAARDAWMFP-MELADBBJSA-N 1 2 323.437 0.565 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)C[C@@H]21 ZINC000328874399 290083504 /nfs/dbraw/zinc/08/35/04/290083504.db2.gz JKAREAARDAWMFP-MELADBBJSA-N 1 2 323.437 0.565 10 0 DCAELO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000329552050 297807561 /nfs/dbraw/zinc/80/75/61/297807561.db2.gz GAVGQTSXBAVOLP-NDBYEHHHSA-N 1 2 311.382 0.391 10 0 DCAELO C[C@H]1CC[C@H](C)[N@H+](Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C1 ZINC000095975833 300060047 /nfs/dbraw/zinc/06/00/47/300060047.db2.gz BOFQJGOAJTUYSV-UWVGGRQHSA-N 1 2 305.382 0.581 10 0 DCAELO C[C@H]1CC[C@H](C)[N@@H+](Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C1 ZINC000095975833 300060051 /nfs/dbraw/zinc/06/00/51/300060051.db2.gz BOFQJGOAJTUYSV-UWVGGRQHSA-N 1 2 305.382 0.581 10 0 DCAELO Cc1ccc(C(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)c(=O)[nH]1 ZINC000408395549 301505823 /nfs/dbraw/zinc/50/58/23/301505823.db2.gz QWPDSZYYLTYYLF-CYBMUJFWSA-N 1 2 315.377 0.958 10 0 DCAELO Cc1ccncc1S(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000408228471 302291397 /nfs/dbraw/zinc/29/13/97/302291397.db2.gz XPCUCHBPMMEASS-QWHCGFSZSA-N 1 2 313.423 0.466 10 0 DCAELO Cc1ccncc1S(=O)(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000408228471 302291401 /nfs/dbraw/zinc/29/14/01/302291401.db2.gz XPCUCHBPMMEASS-QWHCGFSZSA-N 1 2 313.423 0.466 10 0 DCAELO Cn1cnc2c(c1=O)CC[N@H+](Cc1nnc3n1CCCCC3)C2 ZINC000329682915 303022156 /nfs/dbraw/zinc/02/21/56/303022156.db2.gz YVYUAQMCNMRFTQ-UHFFFAOYSA-N 1 2 314.393 0.657 10 0 DCAELO Cn1cnc2c(c1=O)CC[N@@H+](Cc1nnc3n1CCCCC3)C2 ZINC000329682915 303022159 /nfs/dbraw/zinc/02/21/59/303022159.db2.gz YVYUAQMCNMRFTQ-UHFFFAOYSA-N 1 2 314.393 0.657 10 0 DCAELO CC[C@H]1CN(C(=O)c2cccc3nn[nH]c32)CC[N@@H+]1C[C@@H](C)O ZINC000188189866 333039036 /nfs/dbraw/zinc/03/90/36/333039036.db2.gz DFXGGWHCFUKJOR-NEPJUHHUSA-N 1 2 317.393 0.875 10 0 DCAELO CC[C@H]1CN(C(=O)c2cccc3nn[nH]c32)CC[N@H+]1C[C@@H](C)O ZINC000188189866 333039038 /nfs/dbraw/zinc/03/90/38/333039038.db2.gz DFXGGWHCFUKJOR-NEPJUHHUSA-N 1 2 317.393 0.875 10 0 DCAELO C/C=C/C[C@H](CO)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000584444729 337326274 /nfs/dbraw/zinc/32/62/74/337326274.db2.gz QLTRCYIJCFNYSL-QAVQXKDTSA-N 1 2 302.334 0.716 10 0 DCAELO Cc1nc(CN(C)c2cc(N3CCC[C@H]3CO)nc[nH+]2)no1 ZINC000302149203 534348431 /nfs/dbraw/zinc/34/84/31/534348431.db2.gz HHDUJOMUWJAFMH-NSHDSACASA-N 1 2 304.354 0.766 10 0 DCAELO Cc1nc(CN(C)c2cc(N3CCC[C@H]3CO)[nH+]cn2)no1 ZINC000302149203 534348436 /nfs/dbraw/zinc/34/84/36/534348436.db2.gz HHDUJOMUWJAFMH-NSHDSACASA-N 1 2 304.354 0.766 10 0 DCAELO Cn1nnnc1SCCC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177765040 534375589 /nfs/dbraw/zinc/37/55/89/534375589.db2.gz CEYPZCMMXIAYIM-LLVKDONJSA-N 1 2 321.410 0.580 10 0 DCAELO CC(C)CC[C@@](C)(O)CNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000154745152 519687280 /nfs/dbraw/zinc/68/72/80/519687280.db2.gz QAZCEOUXWHCOHK-DZGCQCFKSA-N 1 2 301.431 0.803 10 0 DCAELO CC(C)CC[C@@](C)(O)CNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000154745152 519687282 /nfs/dbraw/zinc/68/72/82/519687282.db2.gz QAZCEOUXWHCOHK-DZGCQCFKSA-N 1 2 301.431 0.803 10 0 DCAELO CC(C)Nc1ncccc1C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000128060802 519742271 /nfs/dbraw/zinc/74/22/71/519742271.db2.gz ZLTTUWAPEYSALG-CYBMUJFWSA-N 1 2 322.409 0.325 10 0 DCAELO COC[C@@H]1C[N@H+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)CCO1 ZINC000246719205 522506436 /nfs/dbraw/zinc/50/64/36/522506436.db2.gz LPAWMXFGNOZVMV-ZNMIVQPWSA-N 1 2 312.410 0.504 10 0 DCAELO COC[C@@H]1C[N@@H+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)CCO1 ZINC000246719205 522506445 /nfs/dbraw/zinc/50/64/45/522506445.db2.gz LPAWMXFGNOZVMV-ZNMIVQPWSA-N 1 2 312.410 0.504 10 0 DCAELO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@]2(CO)Cc2ccccc2)C1 ZINC000365108250 523944706 /nfs/dbraw/zinc/94/47/06/523944706.db2.gz CDXHXBXUKCBWFO-FUHWJXTLSA-N 1 2 318.417 0.913 10 0 DCAELO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@]2(CO)Cc2ccccc2)C1 ZINC000365108250 523944709 /nfs/dbraw/zinc/94/47/09/523944709.db2.gz CDXHXBXUKCBWFO-FUHWJXTLSA-N 1 2 318.417 0.913 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(C(=O)NC3CC3)cc2)C1 ZINC000161679641 523950315 /nfs/dbraw/zinc/95/03/15/523950315.db2.gz DDOPUZXHKPTSDZ-OAHLLOKOSA-N 1 2 317.389 0.639 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)c2ccc(C(=O)NC3CC3)cc2)C1 ZINC000161679641 523950321 /nfs/dbraw/zinc/95/03/21/523950321.db2.gz DDOPUZXHKPTSDZ-OAHLLOKOSA-N 1 2 317.389 0.639 10 0 DCAELO COc1ccnc(N2CC[NH+](CCOCC(F)F)CC2)n1 ZINC000189127395 524843841 /nfs/dbraw/zinc/84/38/41/524843841.db2.gz XVNKNDSNGZWUON-UHFFFAOYSA-N 1 2 302.325 0.889 10 0 DCAELO C[S@@](=O)CCC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000154840529 525362678 /nfs/dbraw/zinc/36/26/78/525362678.db2.gz ZCCDQWINAXMWSI-XCLFUZPHSA-N 1 2 320.480 0.079 10 0 DCAELO CC(=O)N1CC[C@H](C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000176934787 526656495 /nfs/dbraw/zinc/65/64/95/526656495.db2.gz XAAXWONVYTYZEZ-LSDHHAIUSA-N 1 2 309.410 0.178 10 0 DCAELO NC(=O)c1ccc(NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)cn1 ZINC000189302297 527064383 /nfs/dbraw/zinc/06/43/83/527064383.db2.gz IAMNQEWCOWLPCM-CQSZACIVSA-N 1 2 318.377 0.762 10 0 DCAELO NC(=O)c1ccc(NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)cn1 ZINC000189302297 527064390 /nfs/dbraw/zinc/06/43/90/527064390.db2.gz IAMNQEWCOWLPCM-CQSZACIVSA-N 1 2 318.377 0.762 10 0 DCAELO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)N2CCC[C@@H]2C)CC1 ZINC000185106272 529229728 /nfs/dbraw/zinc/22/97/28/529229728.db2.gz ADOFRTYUNWIUHT-QWHCGFSZSA-N 1 2 305.444 0.104 10 0 DCAELO CO[C@H]1C[C@@H](C(N)=O)[N@H+](CC(=O)N(C)Cc2ccc(F)cc2)C1 ZINC000284781005 536775660 /nfs/dbraw/zinc/77/56/60/536775660.db2.gz YCZDYTKDYLTFHZ-KBPBESRZSA-N 1 2 323.368 0.359 10 0 DCAELO CO[C@H]1C[C@@H](C(N)=O)[N@@H+](CC(=O)N(C)Cc2ccc(F)cc2)C1 ZINC000284781005 536775664 /nfs/dbraw/zinc/77/56/64/536775664.db2.gz YCZDYTKDYLTFHZ-KBPBESRZSA-N 1 2 323.368 0.359 10 0 DCAELO C[NH2+][C@](C)(Cn1cc(I)cn1)C(=O)OC ZINC000070678504 545660731 /nfs/dbraw/zinc/66/07/31/545660731.db2.gz DNKOPULYEVLSPW-SECBINFHSA-N 1 2 323.134 0.639 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2sc3ncccc3c2N)C1 ZINC000091681298 545718127 /nfs/dbraw/zinc/71/81/27/545718127.db2.gz MQSCTOBPCWVVBC-VIFPVBQESA-N 1 2 306.391 0.939 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)c2sc3ncccc3c2N)C1 ZINC000091681298 545718133 /nfs/dbraw/zinc/71/81/33/545718133.db2.gz MQSCTOBPCWVVBC-VIFPVBQESA-N 1 2 306.391 0.939 10 0 DCAELO C[C@H](O)C[NH+]1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000255093388 657467212 /nfs/dbraw/zinc/46/72/12/657467212.db2.gz OJCPKFGUFPHMJU-VDBIKXPHSA-N 1 2 310.419 0.986 10 0 DCAELO C[C@@H](CNC(=O)c1cccnc1-n1cccn1)[NH+]1CCOCC1 ZINC000121709034 658139731 /nfs/dbraw/zinc/13/97/31/658139731.db2.gz JBKQNNWXQBKBBT-ZDUSSCGKSA-N 1 2 315.377 0.718 10 0 DCAELO CCCNC(=O)[C@@H]1CCC[N@H+](Cn2cc(C(=O)OC)nn2)C1 ZINC000050899797 658502146 /nfs/dbraw/zinc/50/21/46/658502146.db2.gz BCWWQFQHMCUEIM-LLVKDONJSA-N 1 2 309.370 0.260 10 0 DCAELO CCCNC(=O)[C@@H]1CCC[N@@H+](Cn2cc(C(=O)OC)nn2)C1 ZINC000050899797 658502149 /nfs/dbraw/zinc/50/21/49/658502149.db2.gz BCWWQFQHMCUEIM-LLVKDONJSA-N 1 2 309.370 0.260 10 0 DCAELO CS(=O)(=O)c1ccc(CNC(=O)C[C@@H]([NH3+])C(F)F)cc1 ZINC000724716867 658923233 /nfs/dbraw/zinc/92/32/33/658923233.db2.gz RVWUBQVCQBWVCJ-SNVBAGLBSA-N 1 2 306.334 0.689 10 0 DCAELO O=c1oc2ccccc2n1C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000172961928 664626040 /nfs/dbraw/zinc/62/60/40/664626040.db2.gz IJADQZXJUDIGGU-ZDUSSCGKSA-N 1 2 303.362 0.959 10 0 DCAELO O=c1oc2ccccc2n1C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000172961928 664626041 /nfs/dbraw/zinc/62/60/41/664626041.db2.gz IJADQZXJUDIGGU-ZDUSSCGKSA-N 1 2 303.362 0.959 10 0 DCAELO Cc1nn(C)cc1S(=O)(=O)NC[C@H]1CCn2cc[nH+]c2C1 ZINC000585082798 666170610 /nfs/dbraw/zinc/17/06/10/666170610.db2.gz JZPPOIDEQRVWGU-NSHDSACASA-N 1 2 309.395 0.466 10 0 DCAELO O=C(C[N@@H+]1CCCC2(C1)OCCO2)N1CCO[C@H]2CCCC[C@H]21 ZINC000136148641 667696958 /nfs/dbraw/zinc/69/69/58/667696958.db2.gz GTPAMBFNVPVAPG-CABCVRRESA-N 1 2 324.421 0.995 10 0 DCAELO O=C(C[N@H+]1CCCC2(C1)OCCO2)N1CCO[C@H]2CCCC[C@H]21 ZINC000136148641 667696961 /nfs/dbraw/zinc/69/69/61/667696961.db2.gz GTPAMBFNVPVAPG-CABCVRRESA-N 1 2 324.421 0.995 10 0 DCAELO C[C@H](c1ccc(F)nc1)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000930330550 668996723 /nfs/dbraw/zinc/99/67/23/668996723.db2.gz ZUMCUFFSEWOMBI-YPMHNXCESA-N 1 2 310.373 0.400 10 0 DCAELO C[C@H](c1ccc(F)nc1)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000930330550 668996725 /nfs/dbraw/zinc/99/67/25/668996725.db2.gz ZUMCUFFSEWOMBI-YPMHNXCESA-N 1 2 310.373 0.400 10 0 DCAELO Cn1cc(C[N@@H+]2C[C@@H](O)C[C@@]2(C)CO)c(Br)n1 ZINC000714096334 670178448 /nfs/dbraw/zinc/17/84/48/670178448.db2.gz LBWISHYDSIUGBM-ONGXEEELSA-N 1 2 304.188 0.500 10 0 DCAELO Cn1cc(C[N@H+]2C[C@@H](O)C[C@@]2(C)CO)c(Br)n1 ZINC000714096334 670178450 /nfs/dbraw/zinc/17/84/50/670178450.db2.gz LBWISHYDSIUGBM-ONGXEEELSA-N 1 2 304.188 0.500 10 0 DCAELO Cc1nnc(C[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)n1C ZINC000180077527 1185169630 /nfs/dbraw/zinc/16/96/30/1185169630.db2.gz BIODFNOSPQXGHB-SECBINFHSA-N 1 2 309.395 0.622 10 0 DCAELO C[N@@H+](CC(N)=O)C[C@H]1CN(C/C=C/c2ccccc2)CCO1 ZINC000275799491 529852499 /nfs/dbraw/zinc/85/24/99/529852499.db2.gz SSJBFFYXIHRKCQ-WHWKNOJMSA-N 1 2 303.406 0.818 10 0 DCAELO C[N@H+](CC(N)=O)C[C@H]1CN(C/C=C/c2ccccc2)CCO1 ZINC000275799491 529852500 /nfs/dbraw/zinc/85/25/00/529852500.db2.gz SSJBFFYXIHRKCQ-WHWKNOJMSA-N 1 2 303.406 0.818 10 0 DCAELO CN(CC(N)=O)C[C@H]1C[N@H+](C/C=C/c2ccccc2)CCO1 ZINC000275799491 529852502 /nfs/dbraw/zinc/85/25/02/529852502.db2.gz SSJBFFYXIHRKCQ-WHWKNOJMSA-N 1 2 303.406 0.818 10 0 DCAELO CN(CC(N)=O)C[C@H]1C[N@@H+](C/C=C/c2ccccc2)CCO1 ZINC000275799491 529852504 /nfs/dbraw/zinc/85/25/04/529852504.db2.gz SSJBFFYXIHRKCQ-WHWKNOJMSA-N 1 2 303.406 0.818 10 0 DCAELO Cc1noc([C@@H](C)N2CC[NH+](C[C@@H](O)C(F)(F)F)CC2)n1 ZINC000181690078 199339625 /nfs/dbraw/zinc/33/96/25/199339625.db2.gz WUMCVOGTAFSHKM-PSASIEDQSA-N 1 2 308.304 0.980 10 0 DCAELO Cn1cc[nH+]c1[C@H]1CN(CC(=O)NC[C@@H]2CCCO2)CCN1C ZINC000279885525 215206936 /nfs/dbraw/zinc/20/69/36/215206936.db2.gz CRQVJMMEGCTOPR-UONOGXRCSA-N 1 2 321.425 0.004 10 0 DCAELO C[N@H+](CCS(C)(=O)=O)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000172777811 198148977 /nfs/dbraw/zinc/14/89/77/198148977.db2.gz QDOXDOURXKOEGB-CYBMUJFWSA-N 1 2 312.391 0.988 10 0 DCAELO C[N@@H+](CCS(C)(=O)=O)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000172777811 198148979 /nfs/dbraw/zinc/14/89/79/198148979.db2.gz QDOXDOURXKOEGB-CYBMUJFWSA-N 1 2 312.391 0.988 10 0 DCAELO COCc1cc(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)no1 ZINC000173407400 198211995 /nfs/dbraw/zinc/21/19/95/198211995.db2.gz LUHLWBZSSLSAKL-FZMZJTMJSA-N 1 2 309.366 0.614 10 0 DCAELO CCN(CCO)C(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000173426564 198212989 /nfs/dbraw/zinc/21/29/89/198212989.db2.gz OHERPAQWVCXXND-GFCCVEGCSA-N 1 2 322.413 0.511 10 0 DCAELO CCN(CCO)C(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000173426564 198212991 /nfs/dbraw/zinc/21/29/91/198212991.db2.gz OHERPAQWVCXXND-GFCCVEGCSA-N 1 2 322.413 0.511 10 0 DCAELO CC(C)S(=O)(=O)CC[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000174741898 198378690 /nfs/dbraw/zinc/37/86/90/198378690.db2.gz RDMMVWMJGAIQBY-UHFFFAOYSA-N 1 2 312.439 0.812 10 0 DCAELO CC(C)S(=O)(=O)CC[N@H+]1CCCN(c2cccnn2)CC1 ZINC000174741898 198378691 /nfs/dbraw/zinc/37/86/91/198378691.db2.gz RDMMVWMJGAIQBY-UHFFFAOYSA-N 1 2 312.439 0.812 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc4c(c3)OCO4)C[C@H]21 ZINC000283936583 283027896 /nfs/dbraw/zinc/02/78/96/283027896.db2.gz FLKBRMANVVIJRD-OLZOCXBDSA-N 1 2 304.346 0.960 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc4c(c3)OCO4)C[C@H]21 ZINC000283936583 283027897 /nfs/dbraw/zinc/02/78/97/283027897.db2.gz FLKBRMANVVIJRD-OLZOCXBDSA-N 1 2 304.346 0.960 10 0 DCAELO CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000179273467 290560622 /nfs/dbraw/zinc/56/06/22/290560622.db2.gz XPYPZTXFGFDDDD-XQQFMLRXSA-N 1 2 312.414 0.016 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cn(C)cn2)nc[nH+]1 ZINC000179612596 199064383 /nfs/dbraw/zinc/06/43/83/199064383.db2.gz YEFNDXBVXOSWQH-NSHDSACASA-N 1 2 315.381 0.651 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cn(C)cn2)[nH+]cn1 ZINC000179612596 199064384 /nfs/dbraw/zinc/06/43/84/199064384.db2.gz YEFNDXBVXOSWQH-NSHDSACASA-N 1 2 315.381 0.651 10 0 DCAELO C[C@H]1CN(C(=O)C(=O)Nc2cccnc2)C[C@H]1[NH+]1CCOCC1 ZINC000180255419 199137304 /nfs/dbraw/zinc/13/73/04/199137304.db2.gz WOIHLYWNEMMRII-GXTWGEPZSA-N 1 2 318.377 0.199 10 0 DCAELO Cc1cccc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCOCC2)c1F ZINC000180406500 199155805 /nfs/dbraw/zinc/15/58/05/199155805.db2.gz VEQMDYFSEWXBOI-LBPRGKRZSA-N 1 2 323.368 0.910 10 0 DCAELO COc1cnccc1[C@@H](C)NC(=O)NCC[NH+]1CCOCC1 ZINC000187820808 237361787 /nfs/dbraw/zinc/36/17/87/237361787.db2.gz WHOZBINPZZKYRV-GFCCVEGCSA-N 1 2 308.382 0.783 10 0 DCAELO CC[C@@H]1C[N@H+](CC(=O)NC[C@@H]2CCCO2)CCN1CC(F)F ZINC000153615804 291207578 /nfs/dbraw/zinc/20/75/78/291207578.db2.gz ZXNGITGJJWUDHA-OLZOCXBDSA-N 1 2 319.396 0.943 10 0 DCAELO CC[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2CCCO2)CCN1CC(F)F ZINC000153615804 291207582 /nfs/dbraw/zinc/20/75/82/291207582.db2.gz ZXNGITGJJWUDHA-OLZOCXBDSA-N 1 2 319.396 0.943 10 0 DCAELO CC(C)[C@H](O)CC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000154701278 291215191 /nfs/dbraw/zinc/21/51/91/291215191.db2.gz ZOURGWJTFGFCEM-GXTWGEPZSA-N 1 2 311.426 0.205 10 0 DCAELO Cn1nccc1NC(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000328630349 291259423 /nfs/dbraw/zinc/25/94/23/291259423.db2.gz JHFWVQSTNMBSQT-ZDUSSCGKSA-N 1 2 307.398 0.995 10 0 DCAELO Cn1nccc1NC(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000328630349 291259424 /nfs/dbraw/zinc/25/94/24/291259424.db2.gz JHFWVQSTNMBSQT-ZDUSSCGKSA-N 1 2 307.398 0.995 10 0 DCAELO COC(=O)[C@@H]1CCCC[N@@H+]1[C@@H]1CCN(C2CCOCC2)C1=O ZINC000366147027 291328463 /nfs/dbraw/zinc/32/84/63/291328463.db2.gz LLIBURWPCNNNAH-KGLIPLIRSA-N 1 2 310.394 0.794 10 0 DCAELO COC(=O)[C@@H]1CCCC[N@H+]1[C@@H]1CCN(C2CCOCC2)C1=O ZINC000366147027 291328469 /nfs/dbraw/zinc/32/84/69/291328469.db2.gz LLIBURWPCNNNAH-KGLIPLIRSA-N 1 2 310.394 0.794 10 0 DCAELO CN(Cc1cnccn1)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000568950110 291454185 /nfs/dbraw/zinc/45/41/85/291454185.db2.gz VSJVEJMOGDGFBA-UHFFFAOYSA-N 1 2 305.382 0.483 10 0 DCAELO CCc1nn(C)c(Cl)c1C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000093530787 193264664 /nfs/dbraw/zinc/26/46/64/193264664.db2.gz NLXSWTYMYWJVMY-VIFPVBQESA-N 1 2 320.846 0.759 10 0 DCAELO CCc1nn(C)c(Cl)c1C[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000093530787 193264666 /nfs/dbraw/zinc/26/46/66/193264666.db2.gz NLXSWTYMYWJVMY-VIFPVBQESA-N 1 2 320.846 0.759 10 0 DCAELO C[C@H](Cn1cncn1)NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000263768197 203554556 /nfs/dbraw/zinc/55/45/56/203554556.db2.gz MSTPMFXIXROHQT-LLVKDONJSA-N 1 2 303.370 0.699 10 0 DCAELO CNC(=O)c1ccc(N2CC[NH+](Cc3cc(C)no3)CC2)nn1 ZINC000265998326 205012318 /nfs/dbraw/zinc/01/23/18/205012318.db2.gz KIFTUURXPCDLTC-UHFFFAOYSA-N 1 2 316.365 0.455 10 0 DCAELO C[C@H]1CN(C(=O)c2cnn3cccnc23)C[C@@H]1[NH+]1CCOCC1 ZINC000266109353 205103142 /nfs/dbraw/zinc/10/31/42/205103142.db2.gz AHLAOUGZDANORZ-JSGCOSHPSA-N 1 2 315.377 0.522 10 0 DCAELO CCS(=O)(=O)CCNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105034964 194065850 /nfs/dbraw/zinc/06/58/50/194065850.db2.gz KAHTXOZEYXGAGC-LBPRGKRZSA-N 1 2 303.428 0.301 10 0 DCAELO CCS(=O)(=O)CCNC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000105034964 194065853 /nfs/dbraw/zinc/06/58/53/194065853.db2.gz KAHTXOZEYXGAGC-LBPRGKRZSA-N 1 2 303.428 0.301 10 0 DCAELO CC(=O)NCC(=O)N(C)C[C@H]1OCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000347450896 254157702 /nfs/dbraw/zinc/15/77/02/254157702.db2.gz PCXNPEFHZIZVMZ-NVXWUHKLSA-N 1 2 319.405 0.653 10 0 DCAELO CC(=O)NCC(=O)N(C)C[C@H]1OCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000347450896 254157704 /nfs/dbraw/zinc/15/77/04/254157704.db2.gz PCXNPEFHZIZVMZ-NVXWUHKLSA-N 1 2 319.405 0.653 10 0 DCAELO C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C(=O)N1CCCCC1 ZINC000178773536 533269603 /nfs/dbraw/zinc/26/96/03/533269603.db2.gz PDEXPUJQVZYCHT-OLZOCXBDSA-N 1 2 304.394 0.963 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Cn3ncc4ccccc43)C[C@H]21 ZINC000283961407 131036364 /nfs/dbraw/zinc/03/63/64/131036364.db2.gz GNZHIOHRLILDON-HZPDHXFCSA-N 1 2 314.389 0.968 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)Cn3ncc4ccccc43)C[C@H]21 ZINC000283961407 131036366 /nfs/dbraw/zinc/03/63/66/131036366.db2.gz GNZHIOHRLILDON-HZPDHXFCSA-N 1 2 314.389 0.968 10 0 DCAELO C[C@H](Cn1cccn1)NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000284043090 131043251 /nfs/dbraw/zinc/04/32/51/131043251.db2.gz OXOZASYNSIZPKG-MGPQQGTHSA-N 1 2 307.398 0.386 10 0 DCAELO C[C@H](Cn1cccn1)NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000284043090 131043253 /nfs/dbraw/zinc/04/32/53/131043253.db2.gz OXOZASYNSIZPKG-MGPQQGTHSA-N 1 2 307.398 0.386 10 0 DCAELO CC(=O)Nc1nc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)cs1 ZINC000284434323 131080895 /nfs/dbraw/zinc/08/08/95/131080895.db2.gz JKRCJEAWPGNTQV-RYUDHWBXSA-N 1 2 324.406 0.647 10 0 DCAELO CC(=O)Nc1nc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)cs1 ZINC000284434323 131080896 /nfs/dbraw/zinc/08/08/96/131080896.db2.gz JKRCJEAWPGNTQV-RYUDHWBXSA-N 1 2 324.406 0.647 10 0 DCAELO C[C@@H](C[NH+]1CCN(Cc2cccnc2)CC1)CS(C)(=O)=O ZINC000119765421 132137595 /nfs/dbraw/zinc/13/75/95/132137595.db2.gz QSDGSNWDWBGQSY-AWEZNQCLSA-N 1 2 311.451 0.880 10 0 DCAELO C[C@H](C[NH+]1CCN(Cc2cccnc2)CC1)CS(C)(=O)=O ZINC000119765567 132137662 /nfs/dbraw/zinc/13/76/62/132137662.db2.gz QSDGSNWDWBGQSY-CQSZACIVSA-N 1 2 311.451 0.880 10 0 DCAELO Cc1cc(N2CCN(CC(=O)NC(N)=O)CC2)nc(C(C)C)[nH+]1 ZINC000015032529 395689712 /nfs/dbraw/zinc/68/97/12/395689712.db2.gz JFSDHCKVLRVQQE-UHFFFAOYSA-N 1 2 320.397 0.225 10 0 DCAELO Cc1c[nH+]c(N[C@H]2CCN(C)C2=O)nc1N[C@@H]1CCN(C)C1=O ZINC000085687778 395701662 /nfs/dbraw/zinc/70/16/62/395701662.db2.gz CSJNADXKGUXYNO-MNOVXSKESA-N 1 2 318.381 0.070 10 0 DCAELO C[C@@H](CNC(=O)c1ccc(-n2ccnn2)cc1)[NH+]1CCOCC1 ZINC000089707938 395714146 /nfs/dbraw/zinc/71/41/46/395714146.db2.gz SRUKXKYNLKWOGD-ZDUSSCGKSA-N 1 2 315.377 0.718 10 0 DCAELO CCN1C[C@H](C(=O)NCc2cccnc2-n2cc[nH+]c2)CC1=O ZINC000029022611 395696701 /nfs/dbraw/zinc/69/67/01/395696701.db2.gz KJSKJSKYYAYCCO-CYBMUJFWSA-N 1 2 313.361 0.752 10 0 DCAELO C[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1)[NH+]1CCOCC1 ZINC000041600532 395738496 /nfs/dbraw/zinc/73/84/96/395738496.db2.gz SZADSHWIEOKAQY-NSHDSACASA-N 1 2 309.341 0.601 10 0 DCAELO CC(C)c1nc(N2CCC[C@H](c3nn[nH]n3)C2)nc(N(C)C)[nH+]1 ZINC000097234752 395756363 /nfs/dbraw/zinc/75/63/63/395756363.db2.gz CILNSSFSQANUOA-JTQLQIEISA-N 1 2 317.401 0.958 10 0 DCAELO CC(C)c1nc(N(C)C)nc(N2CCC[C@H](c3nn[nH]n3)C2)[nH+]1 ZINC000097234752 395756366 /nfs/dbraw/zinc/75/63/66/395756366.db2.gz CILNSSFSQANUOA-JTQLQIEISA-N 1 2 317.401 0.958 10 0 DCAELO CCO[C@H](C(=O)NC[C@@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC000193904625 395782340 /nfs/dbraw/zinc/78/23/40/395782340.db2.gz XGQPWNBNOLMUDV-CVEARBPZSA-N 1 2 322.405 0.574 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)NCCCOCC(F)(F)F)C1 ZINC000104788784 395779178 /nfs/dbraw/zinc/77/91/78/395779178.db2.gz RTQJBNFVWKTLDF-JTQLQIEISA-N 1 2 313.320 0.585 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)NCCCOCC(F)(F)F)C1 ZINC000104788784 395779180 /nfs/dbraw/zinc/77/91/80/395779180.db2.gz RTQJBNFVWKTLDF-JTQLQIEISA-N 1 2 313.320 0.585 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000194725661 395805629 /nfs/dbraw/zinc/80/56/29/395805629.db2.gz ZDCJEVCZLPJLMR-OAHLLOKOSA-N 1 2 317.389 0.874 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000194725661 395805633 /nfs/dbraw/zinc/80/56/33/395805633.db2.gz ZDCJEVCZLPJLMR-OAHLLOKOSA-N 1 2 317.389 0.874 10 0 DCAELO CC(C)NC(=O)CNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000048160007 395809664 /nfs/dbraw/zinc/80/96/64/395809664.db2.gz BNBKZNPZGKGDQN-UHFFFAOYSA-N 1 2 319.409 0.874 10 0 DCAELO O=C1NCCC[C@H]1[NH2+][C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000050394901 395838749 /nfs/dbraw/zinc/83/87/49/395838749.db2.gz NUUORPOAEBSZCL-NWDGAFQWSA-N 1 2 312.366 0.912 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(-n3cccn3)cc2)C1 ZINC000194615249 395801330 /nfs/dbraw/zinc/80/13/30/395801330.db2.gz PLQNOEDWKIPWBK-OAHLLOKOSA-N 1 2 300.362 0.933 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)c2ccc(-n3cccn3)cc2)C1 ZINC000194615249 395801331 /nfs/dbraw/zinc/80/13/31/395801331.db2.gz PLQNOEDWKIPWBK-OAHLLOKOSA-N 1 2 300.362 0.933 10 0 DCAELO C=C1c2ccccc2C(=O)N1CC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000194614771 395801738 /nfs/dbraw/zinc/80/17/38/395801738.db2.gz GSPLHWUOSPWTEQ-ZDUSSCGKSA-N 1 2 315.373 0.560 10 0 DCAELO C=C1c2ccccc2C(=O)N1CC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000194614771 395801743 /nfs/dbraw/zinc/80/17/43/395801743.db2.gz GSPLHWUOSPWTEQ-ZDUSSCGKSA-N 1 2 315.373 0.560 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)CCNC(=O)Cc2ccccc2)C1 ZINC000194613772 395801896 /nfs/dbraw/zinc/80/18/96/395801896.db2.gz MLOBEWWDEPDFLO-HNNXBMFYSA-N 1 2 319.405 0.182 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)CCNC(=O)Cc2ccccc2)C1 ZINC000194613772 395801900 /nfs/dbraw/zinc/80/19/00/395801900.db2.gz MLOBEWWDEPDFLO-HNNXBMFYSA-N 1 2 319.405 0.182 10 0 DCAELO CC(C)n1nccc1NC(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000125827890 395906401 /nfs/dbraw/zinc/90/64/01/395906401.db2.gz GOMQYEYDAUNFSL-LBPRGKRZSA-N 1 2 311.386 0.279 10 0 DCAELO CCS(=O)(=O)CC[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000118397940 395861980 /nfs/dbraw/zinc/86/19/80/395861980.db2.gz NNJWKGUGFYCLIQ-CYBMUJFWSA-N 1 2 312.439 0.812 10 0 DCAELO CCS(=O)(=O)CC[N@@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000118397940 395861983 /nfs/dbraw/zinc/86/19/83/395861983.db2.gz NNJWKGUGFYCLIQ-CYBMUJFWSA-N 1 2 312.439 0.812 10 0 DCAELO CC[C@@H]1C[N@H+](C[C@@H](C)CS(C)(=O)=O)CCN1C[C@@H](C)O ZINC000118979769 395866454 /nfs/dbraw/zinc/86/64/54/395866454.db2.gz NZRZGVNSBNMQJP-MGPQQGTHSA-N 1 2 306.472 0.444 10 0 DCAELO CC[C@@H]1C[N@@H+](C[C@@H](C)CS(C)(=O)=O)CCN1C[C@@H](C)O ZINC000118979769 395866456 /nfs/dbraw/zinc/86/64/56/395866456.db2.gz NZRZGVNSBNMQJP-MGPQQGTHSA-N 1 2 306.472 0.444 10 0 DCAELO C[C@@H]1C[N@H+](CC(=O)N2CCC[C@@H]3CCCC[C@H]32)C[C@H](C(N)=O)O1 ZINC000246283871 395946142 /nfs/dbraw/zinc/94/61/42/395946142.db2.gz BAJWUXBRWSAMCQ-LXTVHRRPSA-N 1 2 323.437 0.742 10 0 DCAELO C[C@@H]1C[N@@H+](CC(=O)N2CCC[C@@H]3CCCC[C@H]32)C[C@H](C(N)=O)O1 ZINC000246283871 395946145 /nfs/dbraw/zinc/94/61/45/395946145.db2.gz BAJWUXBRWSAMCQ-LXTVHRRPSA-N 1 2 323.437 0.742 10 0 DCAELO C[C@H](NC(=O)C[N@@H+]1CC[C@@H](Oc2cccnc2)C1)C(=O)N(C)C ZINC000246423516 395950085 /nfs/dbraw/zinc/95/00/85/395950085.db2.gz APANJEDDARVOEZ-GXTWGEPZSA-N 1 2 320.393 0.128 10 0 DCAELO C[C@H](NC(=O)C[N@H+]1CC[C@@H](Oc2cccnc2)C1)C(=O)N(C)C ZINC000246423516 395950086 /nfs/dbraw/zinc/95/00/86/395950086.db2.gz APANJEDDARVOEZ-GXTWGEPZSA-N 1 2 320.393 0.128 10 0 DCAELO CC(=O)N1CC[NH+](CCNC(=O)[C@@H](C)n2nc(C)cc2C)CC1 ZINC000138530517 395952019 /nfs/dbraw/zinc/95/20/19/395952019.db2.gz ZBZYTZOVIHVQDI-CQSZACIVSA-N 1 2 321.425 0.341 10 0 DCAELO CCOCC[N@@H+]1CCN(S(=O)(=O)[C@H](C)COC)C[C@@H]1CC ZINC000246664648 395955142 /nfs/dbraw/zinc/95/51/42/395955142.db2.gz HDWKYXUPWOTPTB-KGLIPLIRSA-N 1 2 322.471 0.784 10 0 DCAELO CCOCC[N@H+]1CCN(S(=O)(=O)[C@H](C)COC)C[C@@H]1CC ZINC000246664648 395955148 /nfs/dbraw/zinc/95/51/48/395955148.db2.gz HDWKYXUPWOTPTB-KGLIPLIRSA-N 1 2 322.471 0.784 10 0 DCAELO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[C@@H]2OCCC[C@H]2C1 ZINC000247024657 395964395 /nfs/dbraw/zinc/96/43/95/395964395.db2.gz ZNZOYEUSRRWTNN-PMPSAXMXSA-N 1 2 324.469 0.833 10 0 DCAELO C[C@@H](NC(=O)NCC[NH+]1CCOCC1)c1nnc2n1CCCC2 ZINC000151084980 395978293 /nfs/dbraw/zinc/97/82/93/395978293.db2.gz QLECRBJUHCALRH-GFCCVEGCSA-N 1 2 322.413 0.307 10 0 DCAELO O=C1NC[C@H]2C[N@H+](C[C@H](O)c3ccccc3Cl)CCN2C1=O ZINC000248131902 395983768 /nfs/dbraw/zinc/98/37/68/395983768.db2.gz ONOUEMKBXMAUIB-GWCFXTLKSA-N 1 2 323.780 0.016 10 0 DCAELO O=C1NC[C@H]2C[N@@H+](C[C@H](O)c3ccccc3Cl)CCN2C1=O ZINC000248131902 395983771 /nfs/dbraw/zinc/98/37/71/395983771.db2.gz ONOUEMKBXMAUIB-GWCFXTLKSA-N 1 2 323.780 0.016 10 0 DCAELO COCCC[N@H+](C[C@H](O)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000248395997 395986797 /nfs/dbraw/zinc/98/67/97/395986797.db2.gz PLFAYQLOMGWJJL-UWVGGRQHSA-N 1 2 319.345 0.435 10 0 DCAELO COCCC[N@@H+](C[C@H](O)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000248395997 395986799 /nfs/dbraw/zinc/98/67/99/395986799.db2.gz PLFAYQLOMGWJJL-UWVGGRQHSA-N 1 2 319.345 0.435 10 0 DCAELO COCCCCS(=O)(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000248465795 395989090 /nfs/dbraw/zinc/98/90/90/395989090.db2.gz CTYTVWWSUKGRMR-UONOGXRCSA-N 1 2 320.455 0.395 10 0 DCAELO CC(C)CS(=O)(=O)CCC(=O)N1[C@H](C)C[NH+](C)C[C@H]1C ZINC000155594908 396054703 /nfs/dbraw/zinc/05/47/03/396054703.db2.gz KBHXIRZMEIGKOH-CHWSQXEVSA-N 1 2 304.456 0.998 10 0 DCAELO C[C@H]1CN(C(=O)c2ccc([S@@](C)=O)cc2)CC[N@@H+]1CCO ZINC000249877920 396013176 /nfs/dbraw/zinc/01/31/76/396013176.db2.gz HFXPHLNNGXYFMQ-LAJNKCICSA-N 1 2 310.419 0.563 10 0 DCAELO C[C@H]1CN(C(=O)c2ccc([S@@](C)=O)cc2)CC[N@H+]1CCO ZINC000249877920 396013178 /nfs/dbraw/zinc/01/31/78/396013178.db2.gz HFXPHLNNGXYFMQ-LAJNKCICSA-N 1 2 310.419 0.563 10 0 DCAELO COCCN1CC[C@H]([NH+]2CCN(Cc3ccc[nH]3)CC2)C1=O ZINC000169793248 396094092 /nfs/dbraw/zinc/09/40/92/396094092.db2.gz LDSDNXAVDOJDGW-HNNXBMFYSA-N 1 2 306.410 0.380 10 0 DCAELO COCCN1CC[C@H](N2CC[NH+](Cc3ccc[nH]3)CC2)C1=O ZINC000169793248 396094096 /nfs/dbraw/zinc/09/40/96/396094096.db2.gz LDSDNXAVDOJDGW-HNNXBMFYSA-N 1 2 306.410 0.380 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)NCCNC(=O)c2ccccc2)C1 ZINC000170921144 396101394 /nfs/dbraw/zinc/10/13/94/396101394.db2.gz LXIVWPAMDCTXPI-CQSZACIVSA-N 1 2 320.393 0.046 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)NCCNC(=O)c2ccccc2)C1 ZINC000170921144 396101398 /nfs/dbraw/zinc/10/13/98/396101398.db2.gz LXIVWPAMDCTXPI-CQSZACIVSA-N 1 2 320.393 0.046 10 0 DCAELO CCc1nnc(C[N@@H+]2CCCN(c3cccnn3)CC2)n1C ZINC000171549086 396118450 /nfs/dbraw/zinc/11/84/50/396118450.db2.gz RRKUOEZUZIQFTD-UHFFFAOYSA-N 1 2 301.398 0.880 10 0 DCAELO CCc1nnc(C[N@H+]2CCCN(c3cccnn3)CC2)n1C ZINC000171549086 396118453 /nfs/dbraw/zinc/11/84/53/396118453.db2.gz RRKUOEZUZIQFTD-UHFFFAOYSA-N 1 2 301.398 0.880 10 0 DCAELO CCOc1ccnc(N2CC[NH+](CC(=O)N[C@H](C)CC)CC2)n1 ZINC000171594701 396119491 /nfs/dbraw/zinc/11/94/91/396119491.db2.gz PMFQKWQVEVXWMR-CYBMUJFWSA-N 1 2 321.425 0.912 10 0 DCAELO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H](n3cncn3)C2)n(C)n1 ZINC000171617797 396120669 /nfs/dbraw/zinc/12/06/69/396120669.db2.gz VJGBKRLDOUWBPI-LBPRGKRZSA-N 1 2 303.370 0.596 10 0 DCAELO Cc1cc(NC(=O)C[N@H+]2CCC[C@H](n3cncn3)C2)n(C)n1 ZINC000171617797 396120672 /nfs/dbraw/zinc/12/06/72/396120672.db2.gz VJGBKRLDOUWBPI-LBPRGKRZSA-N 1 2 303.370 0.596 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2ccn[nH]2)nc[nH+]1 ZINC000173426103 396135380 /nfs/dbraw/zinc/13/53/80/396135380.db2.gz FQHMEZNJKXIRFA-JTQLQIEISA-N 1 2 301.354 0.640 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2ccn[nH]2)[nH+]cn1 ZINC000173426103 396135383 /nfs/dbraw/zinc/13/53/83/396135383.db2.gz FQHMEZNJKXIRFA-JTQLQIEISA-N 1 2 301.354 0.640 10 0 DCAELO CN(CC(=O)N1CC[NH2+]CC1)Cc1nc(=O)c2sccc2[nH]1 ZINC000261915952 396078789 /nfs/dbraw/zinc/07/87/89/396078789.db2.gz GXOFTYAQCNBTFP-UHFFFAOYSA-N 1 2 321.406 0.261 10 0 DCAELO O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCO[C@H](Cn2cccn2)C1 ZINC000263228097 396207778 /nfs/dbraw/zinc/20/77/78/396207778.db2.gz NBODRWNARKBHRK-QWRGUYRKSA-N 1 2 300.309 0.108 10 0 DCAELO COc1nc(NC[C@H]2C[N@H+](C)CCO2)ncc1Br ZINC000176239902 396152413 /nfs/dbraw/zinc/15/24/13/396152413.db2.gz QKHQGXXWHBRMJX-QMMMGPOBSA-N 1 2 317.187 0.990 10 0 DCAELO COc1nc(NC[C@H]2C[N@@H+](C)CCO2)ncc1Br ZINC000176239902 396152417 /nfs/dbraw/zinc/15/24/17/396152417.db2.gz QKHQGXXWHBRMJX-QMMMGPOBSA-N 1 2 317.187 0.990 10 0 DCAELO C[C@@H](CO)[C@@H](C)NC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000177800980 396184125 /nfs/dbraw/zinc/18/41/25/396184125.db2.gz NNARCWMGTMNMEN-NWDGAFQWSA-N 1 2 316.361 0.944 10 0 DCAELO Cn1cc([C@@]2(C)CN(C(=O)[C@H]3CC(F)(F)C[NH2+]3)CCO2)cn1 ZINC000263024368 396198586 /nfs/dbraw/zinc/19/85/86/396198586.db2.gz RFCZDUFEXDJZRS-DGCLKSJQSA-N 1 2 314.336 0.491 10 0 DCAELO CS(=O)(=O)Nc1cccc(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)c1 ZINC000263084261 396200798 /nfs/dbraw/zinc/20/07/98/396200798.db2.gz XTJHOQYLPXTNCA-SNVBAGLBSA-N 1 2 319.333 0.994 10 0 DCAELO Cn1cc(N2CCC[C@@H](NC(=O)[C@H]3CC(F)(F)C[NH2+]3)C2)cn1 ZINC000263157135 396203367 /nfs/dbraw/zinc/20/33/67/396203367.db2.gz DNZIFAIJBYMVLI-ZYHUDNBSSA-N 1 2 313.352 0.502 10 0 DCAELO O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCC(N2CCCC2=O)CC1 ZINC000263311328 396212589 /nfs/dbraw/zinc/21/25/89/396212589.db2.gz YRBYMEBQQQXSBP-LLVKDONJSA-N 1 2 301.337 0.597 10 0 DCAELO CC(C)[NH+]1CCN(S(=O)(=O)c2cccc(C(N)=O)c2)CC1 ZINC000077607099 396227107 /nfs/dbraw/zinc/22/71/07/396227107.db2.gz KMWKBLXMNPVAFQ-UHFFFAOYSA-N 1 2 311.407 0.500 10 0 DCAELO COC(=O)CN(CC[NH+]1CCOCC1)C(=O)[C@H]1C[C@@H]1C(C)C ZINC000185452468 396328309 /nfs/dbraw/zinc/32/83/09/396328309.db2.gz HGNRDKWOWHDJCI-KGLIPLIRSA-N 1 2 312.410 0.612 10 0 DCAELO CN(C)c1noc(C[NH+]2CCC(c3ccnn3CCO)CC2)n1 ZINC000185255090 396322920 /nfs/dbraw/zinc/32/29/20/396322920.db2.gz NNCUYUIWOJNLOA-UHFFFAOYSA-N 1 2 320.397 0.704 10 0 DCAELO CN(C)c1noc(CN2CC[NH+](Cc3cccnc3)CC2)n1 ZINC000185278608 396324109 /nfs/dbraw/zinc/32/41/09/396324109.db2.gz XQSDCSVVQUIUIO-UHFFFAOYSA-N 1 2 302.382 0.848 10 0 DCAELO CC(C)C[C@@H](C[NH+](C)C)NC(=O)CSc1n[nH]c(=O)[nH]1 ZINC000187177115 396364621 /nfs/dbraw/zinc/36/46/21/396364621.db2.gz CIFGGXVYUBPJNH-VIFPVBQESA-N 1 2 301.416 0.283 10 0 DCAELO Cc1cc(N2CC[NH+](CC(=O)NC[C@@H]3CCCO3)CC2)n[nH]1 ZINC000187256599 396365660 /nfs/dbraw/zinc/36/56/60/396365660.db2.gz CGWAMWYXLFPBJS-ZDUSSCGKSA-N 1 2 307.398 0.135 10 0 DCAELO CCCCOCCNC(=O)C[NH+]1CCN(c2cc(C)[nH]n2)CC1 ZINC000187261022 396366041 /nfs/dbraw/zinc/36/60/41/396366041.db2.gz DBPXAMUJGKTJGE-UHFFFAOYSA-N 1 2 323.441 0.773 10 0 DCAELO Cn1nc(C(=O)N2CCCN(c3cccc[nH+]3)CC2)ccc1=O ZINC000186440438 396349995 /nfs/dbraw/zinc/34/99/95/396349995.db2.gz NPVUTCJZHNHJBK-UHFFFAOYSA-N 1 2 313.361 0.528 10 0 DCAELO C[C@@H]1C(=O)NCCC[N@H+]1CCNS(=O)(=O)c1ccccc1 ZINC000189320514 396393144 /nfs/dbraw/zinc/39/31/44/396393144.db2.gz IBKZCGWAHSOHHO-GFCCVEGCSA-N 1 2 311.407 0.175 10 0 DCAELO C[C@@H]1C(=O)NCCC[N@@H+]1CCNS(=O)(=O)c1ccccc1 ZINC000189320514 396393147 /nfs/dbraw/zinc/39/31/47/396393147.db2.gz IBKZCGWAHSOHHO-GFCCVEGCSA-N 1 2 311.407 0.175 10 0 DCAELO COc1ccccc1CN(C)C(=O)C[N@@H+]1CCCNC(=O)[C@H]1C ZINC000189342301 396393997 /nfs/dbraw/zinc/39/39/97/396393997.db2.gz IWDIIJDYMLSLRS-CYBMUJFWSA-N 1 2 319.405 0.864 10 0 DCAELO COc1ccccc1CN(C)C(=O)C[N@H+]1CCCNC(=O)[C@H]1C ZINC000189342301 396394001 /nfs/dbraw/zinc/39/40/01/396394001.db2.gz IWDIIJDYMLSLRS-CYBMUJFWSA-N 1 2 319.405 0.864 10 0 DCAELO COc1cc[nH+]c(CN2CCS(=O)(=O)[C@@H](C)C2)c1OC ZINC000190587888 396408510 /nfs/dbraw/zinc/40/85/10/396408510.db2.gz WFRWWNKNHMWERX-JTQLQIEISA-N 1 2 300.380 0.718 10 0 DCAELO CCc1nnc(C2CC[NH+](CC(=O)NCCCOC)CC2)[nH]1 ZINC000190701599 396410170 /nfs/dbraw/zinc/41/01/70/396410170.db2.gz KXAGDEJNWVKHAO-UHFFFAOYSA-N 1 2 309.414 0.699 10 0 DCAELO CCc1n[nH]c(C2CC[NH+](CC(=O)NCCCOC)CC2)n1 ZINC000190701599 396410172 /nfs/dbraw/zinc/41/01/72/396410172.db2.gz KXAGDEJNWVKHAO-UHFFFAOYSA-N 1 2 309.414 0.699 10 0 DCAELO CCc1nc(C2CC[NH+](CC(=O)NCCCOC)CC2)n[nH]1 ZINC000190701599 396410174 /nfs/dbraw/zinc/41/01/74/396410174.db2.gz KXAGDEJNWVKHAO-UHFFFAOYSA-N 1 2 309.414 0.699 10 0 DCAELO CCCN(CCC)C(=O)C[N@@H+]1CCCN(CCOC)C(=O)C1 ZINC000190803018 396411710 /nfs/dbraw/zinc/41/17/10/396411710.db2.gz GYKJWAUGWVQLEO-UHFFFAOYSA-N 1 2 313.442 0.816 10 0 DCAELO CCCN(CCC)C(=O)C[N@H+]1CCCN(CCOC)C(=O)C1 ZINC000190803018 396411713 /nfs/dbraw/zinc/41/17/13/396411713.db2.gz GYKJWAUGWVQLEO-UHFFFAOYSA-N 1 2 313.442 0.816 10 0 DCAELO CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000192029883 396428685 /nfs/dbraw/zinc/42/86/85/396428685.db2.gz ORUSGYFYPDXNEK-WDEREUQCSA-N 1 2 306.428 0.730 10 0 DCAELO CC[C@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000192029883 396428687 /nfs/dbraw/zinc/42/86/87/396428687.db2.gz ORUSGYFYPDXNEK-WDEREUQCSA-N 1 2 306.428 0.730 10 0 DCAELO Cc1cc(=O)[nH]c([C@H](C)[N@H+]2CC[C@H](NS(C)(=O)=O)C2)n1 ZINC000192594486 396433318 /nfs/dbraw/zinc/43/33/18/396433318.db2.gz XLLIXMNOSXNHQO-UWVGGRQHSA-N 1 2 300.384 0.175 10 0 DCAELO O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCN2CCOC[C@@H]2C1 ZINC000371870766 396479409 /nfs/dbraw/zinc/47/94/09/396479409.db2.gz STVXAECXLRATLP-AWEZNQCLSA-N 1 2 313.361 0.424 10 0 DCAELO CCN(C(=O)C(=O)Nc1ccc2[nH+]ccn2c1)[C@@H]1CCNC1=O ZINC000581230095 396535916 /nfs/dbraw/zinc/53/59/16/396535916.db2.gz YNLGRRLVSGONAF-LLVKDONJSA-N 1 2 315.333 0.010 10 0 DCAELO CCOC(=O)c1csc(C[N@H+](C)CC(C)(CO)CO)n1 ZINC000292498189 396553347 /nfs/dbraw/zinc/55/33/47/396553347.db2.gz CADLAOBFKYGAJT-UHFFFAOYSA-N 1 2 302.396 0.743 10 0 DCAELO CCOC(=O)c1csc(C[N@@H+](C)CC(C)(CO)CO)n1 ZINC000292498189 396553349 /nfs/dbraw/zinc/55/33/49/396553349.db2.gz CADLAOBFKYGAJT-UHFFFAOYSA-N 1 2 302.396 0.743 10 0 DCAELO CC(=O)N1c2ccccc2C[C@H]1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000529931066 396571215 /nfs/dbraw/zinc/57/12/15/396571215.db2.gz ATRDZGADNUMVDX-HOCLYGCPSA-N 1 2 317.389 0.411 10 0 DCAELO CC(=O)N1c2ccccc2C[C@H]1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000529931066 396571219 /nfs/dbraw/zinc/57/12/19/396571219.db2.gz ATRDZGADNUMVDX-HOCLYGCPSA-N 1 2 317.389 0.411 10 0 DCAELO CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)Cn2ccnn2)C1 ZINC000328627166 396825231 /nfs/dbraw/zinc/82/52/31/396825231.db2.gz MNCHUCZGURTHCW-GFCCVEGCSA-N 1 2 316.365 0.419 10 0 DCAELO CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc[nH]2)[C@@H]1c1cnn(C)c1 ZINC000618143188 396909689 /nfs/dbraw/zinc/90/96/89/396909689.db2.gz FMNCHRIFSGDYTA-GJZGRUSLSA-N 1 2 317.393 0.940 10 0 DCAELO CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc[nH]2)[C@@H]1c1cnn(C)c1 ZINC000618143188 396909693 /nfs/dbraw/zinc/90/96/93/396909693.db2.gz FMNCHRIFSGDYTA-GJZGRUSLSA-N 1 2 317.393 0.940 10 0 DCAELO Cn1c[nH+]c2c1CCN(C(=O)CN1C(=O)c3ccccc3C1=O)C2 ZINC000377485500 397086641 /nfs/dbraw/zinc/08/66/41/397086641.db2.gz BTHNFDFGRDMYGK-UHFFFAOYSA-N 1 2 324.340 0.601 10 0 DCAELO Cc1ccc(NC(=O)N2C[C@@H](O)[C@H](n3ccnn3)C2)c(C)[nH+]1 ZINC000626432929 397160569 /nfs/dbraw/zinc/16/05/69/397160569.db2.gz NIIPWQRXZAAYMF-CHWSQXEVSA-N 1 2 302.338 0.740 10 0 DCAELO Cc1cc(N2CC[C@H](S(N)(=O)=O)C2)nc(-c2ccncc2)[nH+]1 ZINC000601755016 397237375 /nfs/dbraw/zinc/23/73/75/397237375.db2.gz OCGVDLPSGKFERP-LBPRGKRZSA-N 1 2 319.390 0.714 10 0 DCAELO Cc1cc(N2CC[C@@H](S(N)(=O)=O)C2)nc(-c2ccncc2)[nH+]1 ZINC000601755013 397237628 /nfs/dbraw/zinc/23/76/28/397237628.db2.gz OCGVDLPSGKFERP-GFCCVEGCSA-N 1 2 319.390 0.714 10 0 DCAELO Cc1[nH+]c2n(c1C)CCN(CC(=O)N1CCC[C@H](C(N)=O)C1)C2 ZINC000364729675 397240116 /nfs/dbraw/zinc/24/01/16/397240116.db2.gz YAGPGQXLGJVVSR-ZDUSSCGKSA-N 1 2 319.409 0.039 10 0 DCAELO CC(=O)N[C@@H]1CCCN(C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000407968415 397340831 /nfs/dbraw/zinc/34/08/31/397340831.db2.gz SWIKVINXZZTHNW-TZMCWYRMSA-N 1 2 312.414 0.017 10 0 DCAELO C[C@H](C[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O)CS(C)(=O)=O ZINC000408041291 397345379 /nfs/dbraw/zinc/34/53/79/397345379.db2.gz GAKLGZSBDVWAJO-RQJABVFESA-N 1 2 305.440 0.529 10 0 DCAELO C[C@H](C[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O)CS(C)(=O)=O ZINC000408041291 397345385 /nfs/dbraw/zinc/34/53/85/397345385.db2.gz GAKLGZSBDVWAJO-RQJABVFESA-N 1 2 305.440 0.529 10 0 DCAELO C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000408189766 397349317 /nfs/dbraw/zinc/34/93/17/397349317.db2.gz PTVZQTKLMUIBRP-QPUJVOFHSA-N 1 2 323.315 0.752 10 0 DCAELO C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000408189766 397349320 /nfs/dbraw/zinc/34/93/20/397349320.db2.gz PTVZQTKLMUIBRP-QPUJVOFHSA-N 1 2 323.315 0.752 10 0 DCAELO CO[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1(C)C ZINC000578675262 397470342 /nfs/dbraw/zinc/47/03/42/397470342.db2.gz XXPDDMOSKQDKLP-CHWSQXEVSA-N 1 2 309.410 0.223 10 0 DCAELO CCOCCS(=O)(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000173897126 286117397 /nfs/dbraw/zinc/11/73/97/286117397.db2.gz RRDMZRXQVXAZNZ-CQSZACIVSA-N 1 2 320.455 0.539 10 0 DCAELO Cn1c(SC[C@@H](O)C[NH+]2CCOCC2)nnc1-c1ccco1 ZINC000066239199 158035616 /nfs/dbraw/zinc/03/56/16/158035616.db2.gz SUDPNCHPUWOVGT-NSHDSACASA-N 1 2 324.406 0.860 10 0 DCAELO COCCC[N@H+](CC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000071121391 158049310 /nfs/dbraw/zinc/04/93/10/158049310.db2.gz GQYBRGQPIWSEKL-GFCCVEGCSA-N 1 2 320.455 0.427 10 0 DCAELO COCCC[N@@H+](CC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000071121391 158049313 /nfs/dbraw/zinc/04/93/13/158049313.db2.gz GQYBRGQPIWSEKL-GFCCVEGCSA-N 1 2 320.455 0.427 10 0 DCAELO CC(C)[C@@H](C)NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000073384974 158056122 /nfs/dbraw/zinc/05/61/22/158056122.db2.gz IKRFHNVRPCFAJO-CQSZACIVSA-N 1 2 310.442 0.981 10 0 DCAELO CC(C)CCSCC(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000097727738 158125982 /nfs/dbraw/zinc/12/59/82/158125982.db2.gz STCMKHVJAOSQJK-ZDUSSCGKSA-N 1 2 304.456 0.575 10 0 DCAELO CN(C)c1nc(N)nc(C[NH+]2CCC(c3cc[nH]n3)CC2)n1 ZINC000103473462 158128665 /nfs/dbraw/zinc/12/86/65/158128665.db2.gz NMRIWOSYXASSAM-UHFFFAOYSA-N 1 2 302.386 0.623 10 0 DCAELO CCn1cc(C[N@@H+]2CCCN(S(=O)(=O)N(C)C)CC2)cn1 ZINC000112707593 158143451 /nfs/dbraw/zinc/14/34/51/158143451.db2.gz OCRNSGASSZHWGW-UHFFFAOYSA-N 1 2 315.443 0.217 10 0 DCAELO CCn1cc(C[N@H+]2CCCN(S(=O)(=O)N(C)C)CC2)cn1 ZINC000112707593 158143454 /nfs/dbraw/zinc/14/34/54/158143454.db2.gz OCRNSGASSZHWGW-UHFFFAOYSA-N 1 2 315.443 0.217 10 0 DCAELO CC(C)N1CC[C@H](NC(=O)NCc2ccc[nH+]c2N(C)C)C1=O ZINC000114783734 158156423 /nfs/dbraw/zinc/15/64/23/158156423.db2.gz FTMBRNMDPUPNCP-ZDUSSCGKSA-N 1 2 319.409 0.956 10 0 DCAELO COCCCNC(=O)C[N@H+](C)Cc1cnc2nc(C)cc(C)n12 ZINC000121443269 158209874 /nfs/dbraw/zinc/20/98/74/158209874.db2.gz FZDNCLIVDRIGPP-UHFFFAOYSA-N 1 2 319.409 0.931 10 0 DCAELO COCCCNC(=O)C[N@@H+](C)Cc1cnc2nc(C)cc(C)n12 ZINC000121443269 158209878 /nfs/dbraw/zinc/20/98/78/158209878.db2.gz FZDNCLIVDRIGPP-UHFFFAOYSA-N 1 2 319.409 0.931 10 0 DCAELO CC(C)Cn1cc[nH+]c1CNC(=O)CCN1C(=O)CCC1=O ZINC000131423524 158303253 /nfs/dbraw/zinc/30/32/53/158303253.db2.gz FFQDTBZDUGYTGU-UHFFFAOYSA-N 1 2 306.366 0.694 10 0 DCAELO CCOc1cncc(N2CCN(Cc3[nH+]ccn3C)CC2)n1 ZINC000131797358 158305237 /nfs/dbraw/zinc/30/52/37/158305237.db2.gz YNQVOMPURLGVIW-UHFFFAOYSA-N 1 2 302.382 0.931 10 0 DCAELO CCc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000155288672 158350807 /nfs/dbraw/zinc/35/08/07/158350807.db2.gz TXYZZVCVHKTTSE-RYUDHWBXSA-N 1 2 322.413 0.305 10 0 DCAELO CCc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000155288672 158350810 /nfs/dbraw/zinc/35/08/10/158350810.db2.gz TXYZZVCVHKTTSE-RYUDHWBXSA-N 1 2 322.413 0.305 10 0 DCAELO CCc1nnc(C[N@H+](CCO)CCOCC(F)(F)F)n1C ZINC000171910044 158388402 /nfs/dbraw/zinc/38/84/02/158388402.db2.gz WZUXTHVFCIAQOM-UHFFFAOYSA-N 1 2 310.320 0.751 10 0 DCAELO CCc1nnc(C[N@@H+](CCO)CCOCC(F)(F)F)n1C ZINC000171910044 158388404 /nfs/dbraw/zinc/38/84/04/158388404.db2.gz WZUXTHVFCIAQOM-UHFFFAOYSA-N 1 2 310.320 0.751 10 0 DCAELO C[C@H](CNC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC000172541652 158395819 /nfs/dbraw/zinc/39/58/19/158395819.db2.gz JBOKRPHOCHNKCS-FRRDWIJNSA-N 1 2 312.414 0.050 10 0 DCAELO C[C@H](CNC(=O)N1CCC[C@@H](n2cncn2)C1)[NH+]1CCOCC1 ZINC000173827316 158410840 /nfs/dbraw/zinc/41/08/40/158410840.db2.gz JIEXDWWWGUOGLZ-ZIAGYGMSSA-N 1 2 322.413 0.345 10 0 DCAELO CN1C[C@@H](C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)CC1=O ZINC000328653732 159018023 /nfs/dbraw/zinc/01/80/23/159018023.db2.gz LHRSKVAWWAYAPH-GXTWGEPZSA-N 1 2 305.353 0.777 10 0 DCAELO Cc1nn(C)c(C)c1CCC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000328902329 159038907 /nfs/dbraw/zinc/03/89/07/159038907.db2.gz GMIFDRURNZNTRI-HOTGVXAUSA-N 1 2 320.437 0.901 10 0 DCAELO Cc1nn(C)c(C)c1CCC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000328902329 159038910 /nfs/dbraw/zinc/03/89/10/159038910.db2.gz GMIFDRURNZNTRI-HOTGVXAUSA-N 1 2 320.437 0.901 10 0 DCAELO Cn1nc(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)cc1C1CC1 ZINC000328903270 159039240 /nfs/dbraw/zinc/03/92/40/159039240.db2.gz HQYDKMZWIQTVEZ-LSDHHAIUSA-N 1 2 304.394 0.843 10 0 DCAELO Cn1nc(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)cc1C1CC1 ZINC000328903270 159039242 /nfs/dbraw/zinc/03/92/42/159039242.db2.gz HQYDKMZWIQTVEZ-LSDHHAIUSA-N 1 2 304.394 0.843 10 0 DCAELO CC[C@@H]1CN(C(=O)[C@H]2CCc3[nH]nnc3C2)CC[N@@H+]1C[C@@H](C)O ZINC000328985048 159049639 /nfs/dbraw/zinc/04/96/39/159049639.db2.gz SZSAJUFCLWWHBW-FRRDWIJNSA-N 1 2 321.425 0.213 10 0 DCAELO CC[C@@H]1CN(C(=O)[C@H]2CCc3[nH]nnc3C2)CC[N@H+]1C[C@@H](C)O ZINC000328985048 159049640 /nfs/dbraw/zinc/04/96/40/159049640.db2.gz SZSAJUFCLWWHBW-FRRDWIJNSA-N 1 2 321.425 0.213 10 0 DCAELO CC[C@@H]1CN(C(=O)[C@H]2CCc3nn[nH]c3C2)CC[N@@H+]1C[C@@H](C)O ZINC000328985048 159049643 /nfs/dbraw/zinc/04/96/43/159049643.db2.gz SZSAJUFCLWWHBW-FRRDWIJNSA-N 1 2 321.425 0.213 10 0 DCAELO CC[C@@H]1CN(C(=O)[C@H]2CCc3nn[nH]c3C2)CC[N@H+]1C[C@@H](C)O ZINC000328985048 159049644 /nfs/dbraw/zinc/04/96/44/159049644.db2.gz SZSAJUFCLWWHBW-FRRDWIJNSA-N 1 2 321.425 0.213 10 0 DCAELO Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000328990885 159049892 /nfs/dbraw/zinc/04/98/92/159049892.db2.gz VHSUCOIBCKADER-ZOBORPQBSA-N 1 2 320.393 0.039 10 0 DCAELO Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000328990885 159049894 /nfs/dbraw/zinc/04/98/94/159049894.db2.gz VHSUCOIBCKADER-ZOBORPQBSA-N 1 2 320.393 0.039 10 0 DCAELO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CC(=O)N(C)[C@H](C)C1 ZINC000329033759 159053832 /nfs/dbraw/zinc/05/38/32/159053832.db2.gz MCTIFVSUPUTQTQ-MGPQQGTHSA-N 1 2 316.405 0.843 10 0 DCAELO C[C@H]1CCCN(C(=O)C[N@@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)C1 ZINC000329159060 159068921 /nfs/dbraw/zinc/06/89/21/159068921.db2.gz DQXZDQUPKRLOEM-RWMBFGLXSA-N 1 2 300.424 0.364 10 0 DCAELO C[C@H]1CCCN(C(=O)C[N@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)C1 ZINC000329159060 159068923 /nfs/dbraw/zinc/06/89/23/159068923.db2.gz DQXZDQUPKRLOEM-RWMBFGLXSA-N 1 2 300.424 0.364 10 0 DCAELO CN(Cc1nnnn1C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000329159022 159068927 /nfs/dbraw/zinc/06/89/27/159068927.db2.gz XHVQDLOTQRXPBC-GFCCVEGCSA-N 1 2 322.438 0.777 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)C[C@H]21 ZINC000329167785 159069761 /nfs/dbraw/zinc/06/97/61/159069761.db2.gz ILPCHMWZONKTLV-MNOVXSKESA-N 1 2 324.381 0.089 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)C[C@H]21 ZINC000329167785 159069763 /nfs/dbraw/zinc/06/97/63/159069763.db2.gz ILPCHMWZONKTLV-MNOVXSKESA-N 1 2 324.381 0.089 10 0 DCAELO c1c(-c2nc([C@@H]3C[NH+]4CCN3CC4)no2)nn2c1OCCC2 ZINC000329368716 159085862 /nfs/dbraw/zinc/08/58/62/159085862.db2.gz AFONVRWGYXIHLE-NSHDSACASA-N 1 2 302.338 0.388 10 0 DCAELO C[C@@H]1CCN(S(=O)(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000329409117 159089807 /nfs/dbraw/zinc/08/98/07/159089807.db2.gz BEFJKXCWDJPRJK-DGCLKSJQSA-N 1 2 303.428 0.026 10 0 DCAELO C[C@@H]1CCN(S(=O)(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000329409117 159089809 /nfs/dbraw/zinc/08/98/09/159089809.db2.gz BEFJKXCWDJPRJK-DGCLKSJQSA-N 1 2 303.428 0.026 10 0 DCAELO Cn1cc[nH+]c1CN1CCN(Cc2nnc3n2CCCC3)CC1 ZINC000329560663 159102437 /nfs/dbraw/zinc/10/24/37/159102437.db2.gz RILNNEHFJAGYOJ-UHFFFAOYSA-N 1 2 315.425 0.666 10 0 DCAELO O=S(=O)(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1cncc(F)c1 ZINC000329756672 159116998 /nfs/dbraw/zinc/11/69/98/159116998.db2.gz MJJJOMWSCOAIBF-GFCCVEGCSA-N 1 2 315.370 0.362 10 0 DCAELO O=S(=O)(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1cncc(F)c1 ZINC000329756672 159117000 /nfs/dbraw/zinc/11/70/00/159117000.db2.gz MJJJOMWSCOAIBF-GFCCVEGCSA-N 1 2 315.370 0.362 10 0 DCAELO C[C@H](C(=O)N1CCN(C(=O)C(C)(C)C)CC1)[NH+]1CCOCC1 ZINC000408000944 160008083 /nfs/dbraw/zinc/00/80/83/160008083.db2.gz KVSQIFDZDQSCBT-CYBMUJFWSA-N 1 2 311.426 0.424 10 0 DCAELO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(S(C)(=O)=O)o3)[C@@H]2C1 ZINC000408143768 160046983 /nfs/dbraw/zinc/04/69/83/160046983.db2.gz BWAZBCSSXSXZOO-WDEREUQCSA-N 1 2 312.391 0.849 10 0 DCAELO C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(S(C)(=O)=O)o3)[C@@H]2C1 ZINC000408143768 160046985 /nfs/dbraw/zinc/04/69/85/160046985.db2.gz BWAZBCSSXSXZOO-WDEREUQCSA-N 1 2 312.391 0.849 10 0 DCAELO CC[C@H]1CN(C(=O)c2c[nH]cc(C)c2=O)C[C@H]1[NH+]1CCOCC1 ZINC000408169592 160051783 /nfs/dbraw/zinc/05/17/83/160051783.db2.gz RJXFMJQAHPRCQC-DZGCQCFKSA-N 1 2 319.405 0.866 10 0 DCAELO CN(C)S(=O)(=O)CC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000408185950 160055112 /nfs/dbraw/zinc/05/51/12/160055112.db2.gz OEZDRQQTZSCLEI-SNVBAGLBSA-N 1 2 300.384 0.007 10 0 DCAELO C[C@H](C(=O)N1CCC(c2cnn(C)c2)CC1)[NH+]1CCOCC1 ZINC000408201639 160058518 /nfs/dbraw/zinc/05/85/18/160058518.db2.gz GBDGPJMGEFBMEL-CYBMUJFWSA-N 1 2 306.410 0.847 10 0 DCAELO Cc1nc(N2CCN(C(=O)[C@@H](C)N3CCOCC3)CC2)cc[nH+]1 ZINC000408214564 160061648 /nfs/dbraw/zinc/06/16/48/160061648.db2.gz KQULDRUVDWBHQL-CYBMUJFWSA-N 1 2 319.409 0.154 10 0 DCAELO CC[C@@H]1OCCC[C@@H]1C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000408273460 160073854 /nfs/dbraw/zinc/07/38/54/160073854.db2.gz CZFQUEPPWVCZHP-STQMWFEESA-N 1 2 311.426 0.600 10 0 DCAELO C[C@H](C(=O)N1CCC(N2CCCCC2=O)CC1)[NH+]1CCOCC1 ZINC000408329962 160086235 /nfs/dbraw/zinc/08/62/35/160086235.db2.gz GKRSPVXQLJLSEE-CQSZACIVSA-N 1 2 323.437 0.711 10 0 DCAELO CSc1c(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cnn1C ZINC000408329389 160086358 /nfs/dbraw/zinc/08/63/58/160086358.db2.gz MNVIJTJKNGJHPV-NSHDSACASA-N 1 2 310.423 0.689 10 0 DCAELO C[C@H](C[NH+]1CCOCC1)N(C)S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000408395887 160099857 /nfs/dbraw/zinc/09/98/57/160099857.db2.gz RMNNDVGXOIZSCJ-ZIAGYGMSSA-N 1 2 319.471 0.616 10 0 DCAELO Cc1nc2cncc(N3CC[NH+]([C@@H](C)C(=O)N(C)C)CC3)n2n1 ZINC000408403219 160101102 /nfs/dbraw/zinc/10/11/02/160101102.db2.gz UCVWFMUGSKDILL-NSHDSACASA-N 1 2 317.397 0.031 10 0 DCAELO CCCn1nccc1NC(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000151160308 287032347 /nfs/dbraw/zinc/03/23/47/287032347.db2.gz BCPHHJXIRBPUPG-LBPRGKRZSA-N 1 2 323.397 0.069 10 0 DCAELO CCn1cc(C(=O)C(=O)NCc2ccc[nH+]c2N(C)C)cn1 ZINC000153212770 287047904 /nfs/dbraw/zinc/04/79/04/287047904.db2.gz KLUUWBHQHHDLHW-UHFFFAOYSA-N 1 2 301.350 0.863 10 0 DCAELO C[C@H](C(=O)N1CCCCCC1)[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000246977152 287089802 /nfs/dbraw/zinc/08/98/02/287089802.db2.gz FIHUGDAZGYXNSB-CHWSQXEVSA-N 1 2 317.455 0.401 10 0 DCAELO C[C@H](C(=O)N1CCCCCC1)[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000246977152 287089803 /nfs/dbraw/zinc/08/98/03/287089803.db2.gz FIHUGDAZGYXNSB-CHWSQXEVSA-N 1 2 317.455 0.401 10 0 DCAELO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)N2CCC[C@H]2C)CC1 ZINC000248680811 287099838 /nfs/dbraw/zinc/09/98/38/287099838.db2.gz FJXORPOTQICSDO-CHWSQXEVSA-N 1 2 305.444 0.104 10 0 DCAELO CCNS(=O)(=O)c1ccccc1NCC[NH+]1CCOCC1 ZINC000035353608 415190150 /nfs/dbraw/zinc/19/01/50/415190150.db2.gz DVXCUUTYBWZKCI-UHFFFAOYSA-N 1 2 313.423 0.729 10 0 DCAELO c1ccc(-n2nnnc2NC[C@H]2C[N@@H+](C3CC3)CCO2)cc1 ZINC000066745684 415365302 /nfs/dbraw/zinc/36/53/02/415365302.db2.gz JGQKGIWQBSUBHU-AWEZNQCLSA-N 1 2 300.366 0.937 10 0 DCAELO c1ccc(-n2nnnc2NC[C@H]2C[N@H+](C3CC3)CCO2)cc1 ZINC000066745684 415365309 /nfs/dbraw/zinc/36/53/09/415365309.db2.gz JGQKGIWQBSUBHU-AWEZNQCLSA-N 1 2 300.366 0.937 10 0 DCAELO NS(=O)(=O)c1cnc(NC[C@@H]2C[N@@H+](C3CC3)CCO2)s1 ZINC000066745930 415366157 /nfs/dbraw/zinc/36/61/57/415366157.db2.gz JMECGFIDIIBZKO-SECBINFHSA-N 1 2 318.424 0.066 10 0 DCAELO NS(=O)(=O)c1cnc(NC[C@@H]2C[N@H+](C3CC3)CCO2)s1 ZINC000066745930 415366166 /nfs/dbraw/zinc/36/61/66/415366166.db2.gz JMECGFIDIIBZKO-SECBINFHSA-N 1 2 318.424 0.066 10 0 DCAELO O=C(Nc1ccc2n[nH]cc2c1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000076270366 415457372 /nfs/dbraw/zinc/45/73/72/415457372.db2.gz ZZQFLNQAZDKQOX-UHFFFAOYSA-N 1 2 313.361 0.808 10 0 DCAELO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)[C@@H]2[C@H]3CCCO[C@H]32)CCO1 ZINC000333027384 415536084 /nfs/dbraw/zinc/53/60/84/415536084.db2.gz LDOYMNBXFXMQIR-HBJVGIJOSA-N 1 2 311.382 0.106 10 0 DCAELO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)[C@@H]2[C@H]3CCCO[C@H]32)CCO1 ZINC000333027384 415536089 /nfs/dbraw/zinc/53/60/89/415536089.db2.gz LDOYMNBXFXMQIR-HBJVGIJOSA-N 1 2 311.382 0.106 10 0 DCAELO COc1ccc(CCNC(=O)NC[C@H]2C[N@H+](C)CCO2)cc1 ZINC000104776632 415628195 /nfs/dbraw/zinc/62/81/95/415628195.db2.gz JFJBCGUBBUZFCA-HNNXBMFYSA-N 1 2 307.394 0.868 10 0 DCAELO COc1ccc(CCNC(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000104776632 415628202 /nfs/dbraw/zinc/62/82/02/415628202.db2.gz JFJBCGUBBUZFCA-HNNXBMFYSA-N 1 2 307.394 0.868 10 0 DCAELO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(F)c1)N1CCNC1=O ZINC000343750737 415710068 /nfs/dbraw/zinc/71/00/68/415710068.db2.gz ABWGSZKCUFYYLX-QWHCGFSZSA-N 1 2 307.325 0.485 10 0 DCAELO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(F)c1)N1CCNC1=O ZINC000343750737 415710075 /nfs/dbraw/zinc/71/00/75/415710075.db2.gz ABWGSZKCUFYYLX-QWHCGFSZSA-N 1 2 307.325 0.485 10 0 DCAELO O=C(/C=C/c1ccc(O)cc1)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000122254755 415830787 /nfs/dbraw/zinc/83/07/87/415830787.db2.gz UANVCJAIPPXBGX-YFCVBGDOSA-N 1 2 306.362 0.215 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)Nc2nnc(C(F)F)s2)C1 ZINC000134132947 415953422 /nfs/dbraw/zinc/95/34/22/415953422.db2.gz ZOIFRKYJYYPCLT-ZCFIWIBFSA-N 1 2 307.326 0.928 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)Nc2nnc(C(F)F)s2)C1 ZINC000134132947 415953425 /nfs/dbraw/zinc/95/34/25/415953425.db2.gz ZOIFRKYJYYPCLT-ZCFIWIBFSA-N 1 2 307.326 0.928 10 0 DCAELO COCC(=O)N(C)CC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000153599407 415983786 /nfs/dbraw/zinc/98/37/86/415983786.db2.gz RXUNSDBNYJENMW-UHFFFAOYSA-N 1 2 320.393 0.271 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)N[C@H](C)CO)nc[nH+]1 ZINC000173418320 416058975 /nfs/dbraw/zinc/05/89/75/416058975.db2.gz XRIBONYLBXURSZ-MNOVXSKESA-N 1 2 308.386 0.167 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)N[C@H](C)CO)[nH+]cn1 ZINC000173418320 416058978 /nfs/dbraw/zinc/05/89/78/416058978.db2.gz XRIBONYLBXURSZ-MNOVXSKESA-N 1 2 308.386 0.167 10 0 DCAELO O=C(Nc1ccccc1F)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000174010004 416071724 /nfs/dbraw/zinc/07/17/24/416071724.db2.gz YZTWTYISVCKRLX-GFCCVEGCSA-N 1 2 321.352 0.697 10 0 DCAELO O=C(Nc1ccc(F)cc1)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000174008431 416072142 /nfs/dbraw/zinc/07/21/42/416072142.db2.gz BJBNUTNGNDORLT-AWEZNQCLSA-N 1 2 321.352 0.697 10 0 DCAELO O=c1cc(C[NH+]2CCN(c3cccnn3)CC2)nc2ccccn12 ZINC000170650057 416027322 /nfs/dbraw/zinc/02/73/22/416027322.db2.gz ZIGFPWCBJKPNQH-UHFFFAOYSA-N 1 2 322.372 0.807 10 0 DCAELO CCCCOCCNC(=O)C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000174746375 416086673 /nfs/dbraw/zinc/08/66/73/416086673.db2.gz MGEHGWKQNWWINB-LBPRGKRZSA-N 1 2 312.332 0.918 10 0 DCAELO CCCCOCCNC(=O)C[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000174746375 416086677 /nfs/dbraw/zinc/08/66/77/416086677.db2.gz MGEHGWKQNWWINB-LBPRGKRZSA-N 1 2 312.332 0.918 10 0 DCAELO C[C@H](C(=O)N1CCCC1)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000174790302 416088351 /nfs/dbraw/zinc/08/83/51/416088351.db2.gz JEXVZDBAHCDGSZ-HUUCEWRRSA-N 1 2 322.453 0.284 10 0 DCAELO C[C@H](C(=O)N1CCCC1)[NH+]1CCN([C@@H]2CCCCNC2=O)CC1 ZINC000174790302 416088354 /nfs/dbraw/zinc/08/83/54/416088354.db2.gz JEXVZDBAHCDGSZ-HUUCEWRRSA-N 1 2 322.453 0.284 10 0 DCAELO COC(=O)Cn1ncc2c1nc[nH+]c2N1CCC[C@H]([C@@H](C)O)C1 ZINC000301798080 416092838 /nfs/dbraw/zinc/09/28/38/416092838.db2.gz VBLUDTPJCBLMLY-MNOVXSKESA-N 1 2 319.365 0.597 10 0 DCAELO CC(C)OCCS(=O)(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000175120597 416097526 /nfs/dbraw/zinc/09/75/26/416097526.db2.gz XAQCWIJMXKZEBK-ZDUSSCGKSA-N 1 2 306.428 0.194 10 0 DCAELO CC(C)OCCS(=O)(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000175120597 416097532 /nfs/dbraw/zinc/09/75/32/416097532.db2.gz XAQCWIJMXKZEBK-ZDUSSCGKSA-N 1 2 306.428 0.194 10 0 DCAELO CC(C)N1CC[C@H](N2CCC[N@H+](Cc3cnn(C)c3)CC2)C1=O ZINC000175196208 416098880 /nfs/dbraw/zinc/09/88/80/416098880.db2.gz OAVDGHRGJPKWJO-INIZCTEOSA-N 1 2 319.453 0.937 10 0 DCAELO CC(C)N1CC[C@H](N2CCC[N@@H+](Cc3cnn(C)c3)CC2)C1=O ZINC000175196208 416098884 /nfs/dbraw/zinc/09/88/84/416098884.db2.gz OAVDGHRGJPKWJO-INIZCTEOSA-N 1 2 319.453 0.937 10 0 DCAELO CN(C)c1[nH+]cccc1CNC(=O)N1CCC[C@@H](CC(N)=O)C1 ZINC000175276296 416101609 /nfs/dbraw/zinc/10/16/09/416101609.db2.gz YTCWXXODIOKNMT-LBPRGKRZSA-N 1 2 319.409 0.945 10 0 DCAELO O=C(NCC[NH+]1CCOCC1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000175871951 416115369 /nfs/dbraw/zinc/11/53/69/416115369.db2.gz AQIPXUXNJUAKKR-LLVKDONJSA-N 1 2 311.304 0.027 10 0 DCAELO Cn1ncc2c1C[C@H](C(=O)N1CC[C@@H]([NH+]3CCOCC3)C1)CC2 ZINC000328817772 416134034 /nfs/dbraw/zinc/13/40/34/416134034.db2.gz OBKWCRPPYOOMBX-UKRRQHHQSA-N 1 2 318.421 0.458 10 0 DCAELO CC1CCN(S(=O)(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)CC1 ZINC000328841205 416134802 /nfs/dbraw/zinc/13/48/02/416134802.db2.gz PIICOFYOHDPVMP-ZIAGYGMSSA-N 1 2 317.455 0.368 10 0 DCAELO CC1CCN(S(=O)(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)CC1 ZINC000328841205 416134807 /nfs/dbraw/zinc/13/48/07/416134807.db2.gz PIICOFYOHDPVMP-ZIAGYGMSSA-N 1 2 317.455 0.368 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnn4c3CCCC4)C[C@@H]21 ZINC000328871522 416135535 /nfs/dbraw/zinc/13/55/35/416135535.db2.gz DNIJWVXNQPPSNB-LSDHHAIUSA-N 1 2 304.394 0.765 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnn4c3CCCC4)C[C@@H]21 ZINC000328871522 416135537 /nfs/dbraw/zinc/13/55/37/416135537.db2.gz DNIJWVXNQPPSNB-LSDHHAIUSA-N 1 2 304.394 0.765 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)Nc3ccc(C4CC4)nn3)C[C@H]21 ZINC000328931358 416139443 /nfs/dbraw/zinc/13/94/43/416139443.db2.gz BDIFZXBUWYXFKM-KGLIPLIRSA-N 1 2 317.393 1.291 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3ccc(C4CC4)nn3)C[C@H]21 ZINC000328931358 416139446 /nfs/dbraw/zinc/13/94/46/416139446.db2.gz BDIFZXBUWYXFKM-KGLIPLIRSA-N 1 2 317.393 1.291 10 0 DCAELO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)[C@@H]1CSCCS1 ZINC000177289049 416144345 /nfs/dbraw/zinc/14/43/45/416144345.db2.gz VORLECSLBXAIBF-RYUDHWBXSA-N 1 2 302.465 0.814 10 0 DCAELO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)[C@@H]1CSCCS1 ZINC000177289049 416144348 /nfs/dbraw/zinc/14/43/48/416144348.db2.gz VORLECSLBXAIBF-RYUDHWBXSA-N 1 2 302.465 0.814 10 0 DCAELO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC000329383014 416166600 /nfs/dbraw/zinc/16/66/00/416166600.db2.gz OSUXSQKXNPGVIG-UPJWGTAASA-N 1 2 314.451 0.752 10 0 DCAELO CCOC(=O)[C@H](CC(C)C)[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000182178508 416216206 /nfs/dbraw/zinc/21/62/06/416216206.db2.gz VLLWAAJVPDISSX-RYUDHWBXSA-N 1 2 306.428 0.588 10 0 DCAELO CCOC(=O)[C@H](CC(C)C)[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000182178508 416216208 /nfs/dbraw/zinc/21/62/08/416216208.db2.gz VLLWAAJVPDISSX-RYUDHWBXSA-N 1 2 306.428 0.588 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)NCc2ccn3cc[nH+]c3c2)C[C@@H](C)O1 ZINC000178405053 416163089 /nfs/dbraw/zinc/16/30/89/416163089.db2.gz IJJJAXLVCYTHNN-VXGBXAGGSA-N 1 2 324.406 0.778 10 0 DCAELO C[C@]1(C(N)=O)CCCC[N@@H+]1CC(=O)NC(=O)NC1CCCC1 ZINC000185926501 416253486 /nfs/dbraw/zinc/25/34/86/416253486.db2.gz ZSHDGLQGVBKGJO-OAHLLOKOSA-N 1 2 310.398 0.485 10 0 DCAELO C[C@]1(C(N)=O)CCCC[N@H+]1CC(=O)NC(=O)NC1CCCC1 ZINC000185926501 416253490 /nfs/dbraw/zinc/25/34/90/416253490.db2.gz ZSHDGLQGVBKGJO-OAHLLOKOSA-N 1 2 310.398 0.485 10 0 DCAELO CC(C)OCC[NH+]1CCN(S(=O)(=O)[C@@H]2CCO[C@H]2C)CC1 ZINC000190204596 416275814 /nfs/dbraw/zinc/27/58/14/416275814.db2.gz DAKNXQXCQQVXEP-UONOGXRCSA-N 1 2 320.455 0.536 10 0 DCAELO COCC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(C)n2)C[C@@H]1C ZINC000193277031 416313965 /nfs/dbraw/zinc/31/39/65/416313965.db2.gz KBRPVUZSDBJYRC-ZDUSSCGKSA-N 1 2 320.393 0.508 10 0 DCAELO COCC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(C)n2)C[C@@H]1C ZINC000193277031 416313968 /nfs/dbraw/zinc/31/39/68/416313968.db2.gz KBRPVUZSDBJYRC-ZDUSSCGKSA-N 1 2 320.393 0.508 10 0 DCAELO CC(C)n1nnnc1CN1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000195046873 416325072 /nfs/dbraw/zinc/32/50/72/416325072.db2.gz VWZAXOANSKENKW-GFCCVEGCSA-N 1 2 321.429 0.039 10 0 DCAELO O=C(C[N@H+]1C[C@H](O)C[C@@H]1CO)Nc1ccc2c(c1)OCCCO2 ZINC000360490040 416392681 /nfs/dbraw/zinc/39/26/81/416392681.db2.gz ILXQPYNNAMVQHY-CHWSQXEVSA-N 1 2 322.361 0.214 10 0 DCAELO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1CO)Nc1ccc2c(c1)OCCCO2 ZINC000360490040 416392682 /nfs/dbraw/zinc/39/26/82/416392682.db2.gz ILXQPYNNAMVQHY-CHWSQXEVSA-N 1 2 322.361 0.214 10 0 DCAELO C[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1ncn(C(C)(C)C)n1 ZINC000543364621 416638317 /nfs/dbraw/zinc/63/83/17/416638317.db2.gz JKFHEDCTGYFORL-LLVKDONJSA-N 1 2 310.402 0.875 10 0 DCAELO C[C@@H]1COCC[N@H+]1CCNC(=O)Nc1ncn(C(C)(C)C)n1 ZINC000543364621 416638320 /nfs/dbraw/zinc/63/83/20/416638320.db2.gz JKFHEDCTGYFORL-LLVKDONJSA-N 1 2 310.402 0.875 10 0 DCAELO COc1cccc(CCNC(=O)NC[C@@H](C)[NH+]2CCOCC2)n1 ZINC000441263240 416668014 /nfs/dbraw/zinc/66/80/14/416668014.db2.gz QMHMBRXWBIEFGB-CYBMUJFWSA-N 1 2 322.409 0.653 10 0 DCAELO O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N[C@H]1CCc2c[nH]nc2C1 ZINC000557383054 416733753 /nfs/dbraw/zinc/73/37/53/416733753.db2.gz LVZLRQRMJPJDQK-NSHDSACASA-N 1 2 324.344 0.670 10 0 DCAELO CC(=O)c1ncc(C(=O)N2CC(C[NH+]3CCOCC3)C2)s1 ZINC000615148782 416773640 /nfs/dbraw/zinc/77/36/40/416773640.db2.gz RIKQFJIBBWUPDF-UHFFFAOYSA-N 1 2 309.391 0.750 10 0 DCAELO CC(=O)N1c2ccccc2C[C@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623269580 416785998 /nfs/dbraw/zinc/78/59/98/416785998.db2.gz NYMROIYYSKUSSG-CJNGLKHVSA-N 1 2 310.357 0.902 10 0 DCAELO Nc1nc(N[C@@H]2CCCN(CCO)C2=O)[nH+]c2ccccc12 ZINC000558688311 416789557 /nfs/dbraw/zinc/78/95/57/416789557.db2.gz KBYBXPUPIRANSJ-GFCCVEGCSA-N 1 2 301.350 0.607 10 0 DCAELO CCN(C)C(=O)[C@H](C)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000521717869 417024230 /nfs/dbraw/zinc/02/42/30/417024230.db2.gz JNXCXBWESDJLAC-JTQLQIEISA-N 1 2 317.349 0.256 10 0 DCAELO CNc1nc(C)cc(C(=O)N2CCN(C)[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000377309198 417054436 /nfs/dbraw/zinc/05/44/36/417054436.db2.gz IIRVRJWOMKJBOG-LBPRGKRZSA-N 1 2 315.381 0.679 10 0 DCAELO CNc1nc(C)cc(C(=O)N2CCN(C)[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000377309196 417055481 /nfs/dbraw/zinc/05/54/81/417055481.db2.gz IIRVRJWOMKJBOG-GFCCVEGCSA-N 1 2 315.381 0.679 10 0 DCAELO CC(C)(C)OC(=O)NCC[N@@H+]1CCCO[C@@H](c2nn[nH]n2)C1 ZINC000616598223 417084699 /nfs/dbraw/zinc/08/46/99/417084699.db2.gz NCMNCQUIUGQMMN-SNVBAGLBSA-N 1 2 312.374 0.488 10 0 DCAELO CC(C)(C)OC(=O)NCC[N@H+]1CCCO[C@@H](c2nn[nH]n2)C1 ZINC000616598223 417084707 /nfs/dbraw/zinc/08/47/07/417084707.db2.gz NCMNCQUIUGQMMN-SNVBAGLBSA-N 1 2 312.374 0.488 10 0 DCAELO Nc1cc([C@@H]2C[NH2+]CCN2S(=O)(=O)c2ccccc2)ccn1 ZINC000616603137 417085296 /nfs/dbraw/zinc/08/52/96/417085296.db2.gz FGSORRBWYUTYCB-AWEZNQCLSA-N 1 2 318.402 0.999 10 0 DCAELO COc1cc(C(=O)N[C@H](c2[nH+]ccn2C)C(C)(C)CO)on1 ZINC000616864409 417122169 /nfs/dbraw/zinc/12/21/69/417122169.db2.gz BZVAYTDWNTXSMC-LLVKDONJSA-N 1 2 308.338 0.906 10 0 DCAELO C[C@H](C(=O)N1CCC[C@@H](c2ccnc(N)n2)C1)[NH+]1CCOCC1 ZINC000408081025 417139139 /nfs/dbraw/zinc/13/91/39/417139139.db2.gz QMTARYCJAQCLIB-CHWSQXEVSA-N 1 2 319.409 0.486 10 0 DCAELO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)N2CCCC[C@H]2C)CC1 ZINC000408431750 417162309 /nfs/dbraw/zinc/16/23/09/417162309.db2.gz BKHBRWBKLVCKQO-KGLIPLIRSA-N 1 2 319.471 0.494 10 0 DCAELO CCOC(=O)[C@@H]1C[N@H+](Cc2cn(C(C)C)nn2)CC12COC2 ZINC000449367863 417146367 /nfs/dbraw/zinc/14/63/67/417146367.db2.gz ZKWMCFJVZWTWMR-ZDUSSCGKSA-N 1 2 308.382 0.871 10 0 DCAELO CCOC(=O)[C@@H]1C[N@@H+](Cc2cn(C(C)C)nn2)CC12COC2 ZINC000449367863 417146374 /nfs/dbraw/zinc/14/63/74/417146374.db2.gz ZKWMCFJVZWTWMR-ZDUSSCGKSA-N 1 2 308.382 0.871 10 0 DCAELO c1ccc2c(c1)OC[C@@H](C[NH+]1CCN(c3nccnn3)CC1)O2 ZINC000625637168 417149827 /nfs/dbraw/zinc/14/98/27/417149827.db2.gz IZKYDUYFNWFIFV-CYBMUJFWSA-N 1 2 313.361 0.834 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCO[C@H](C(N)=O)C1)C2 ZINC000527240617 417226836 /nfs/dbraw/zinc/22/68/36/417226836.db2.gz QELWEMLRTLYGJP-GWCFXTLKSA-N 1 2 320.393 0.351 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCO[C@H](C(N)=O)C1)CC2 ZINC000527240617 417226846 /nfs/dbraw/zinc/22/68/46/417226846.db2.gz QELWEMLRTLYGJP-GWCFXTLKSA-N 1 2 320.393 0.351 10 0 DCAELO CN1CCN(c2cc(NCCOCC3CCC3)[nH+]cn2)CC1=O ZINC000569640789 417280451 /nfs/dbraw/zinc/28/04/51/417280451.db2.gz AXYZUXVMLZMPBO-UHFFFAOYSA-N 1 2 319.409 0.984 10 0 DCAELO CN1CCN(c2cc(NCCOCC3CCC3)nc[nH+]2)CC1=O ZINC000569640789 417280458 /nfs/dbraw/zinc/28/04/58/417280458.db2.gz AXYZUXVMLZMPBO-UHFFFAOYSA-N 1 2 319.409 0.984 10 0 DCAELO CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(S(=O)(=O)c2cnn(C)c2)C1 ZINC000643720033 417321517 /nfs/dbraw/zinc/32/15/17/417321517.db2.gz SEIOKXLHJGWVCE-KOLCDFICSA-N 1 2 311.367 0.294 10 0 DCAELO O=S(=O)(CCC1CCCC1)N1CC[NH+](CCCO)CC1 ZINC000451375825 417338222 /nfs/dbraw/zinc/33/82/22/417338222.db2.gz MXLHKYGMILYLSY-UHFFFAOYSA-N 1 2 304.456 0.897 10 0 DCAELO Cn1cc[nH+]c1[C@H]1CN(C(=O)NC[C@H]2CCCO2)CCN1C ZINC000298485507 228575326 /nfs/dbraw/zinc/57/53/26/228575326.db2.gz QEOQLMGHOJAPGH-CHWSQXEVSA-N 1 2 307.398 0.597 10 0 DCAELO Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@H]1CNC(=O)C1 ZINC000194869911 261149572 /nfs/dbraw/zinc/14/95/72/261149572.db2.gz HYHSNUWREIRUSI-GFCCVEGCSA-N 1 2 300.362 0.987 10 0 DCAELO COC(=O)[C@H](C1CC1)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000359614146 271131775 /nfs/dbraw/zinc/13/17/75/271131775.db2.gz YIDAFHBZORNLIQ-HNNXBMFYSA-N 1 2 309.410 0.178 10 0 DCAELO CC(C)CN1C[C@@H]2C[N@H+](CC(=O)N(C)CC3CC3)CCN2C1=O ZINC000488747774 272050232 /nfs/dbraw/zinc/05/02/32/272050232.db2.gz JTMJYCAEYQQRBX-HNNXBMFYSA-N 1 2 322.453 0.933 10 0 DCAELO CC(C)CN1C[C@@H]2C[N@@H+](CC(=O)N(C)CC3CC3)CCN2C1=O ZINC000488747774 272050233 /nfs/dbraw/zinc/05/02/33/272050233.db2.gz JTMJYCAEYQQRBX-HNNXBMFYSA-N 1 2 322.453 0.933 10 0 DCAELO C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCCN1c1nccs1 ZINC000547794719 288080001 /nfs/dbraw/zinc/08/00/01/288080001.db2.gz PONKZUFFOGNFLZ-QWHCGFSZSA-N 1 2 324.450 0.949 10 0 DCAELO C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCCN1c1nccs1 ZINC000547794719 288080003 /nfs/dbraw/zinc/08/00/03/288080003.db2.gz PONKZUFFOGNFLZ-QWHCGFSZSA-N 1 2 324.450 0.949 10 0 DCAELO Cc1nnc([C@H]2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CCO2)[nH]1 ZINC000548091797 288110649 /nfs/dbraw/zinc/11/06/49/288110649.db2.gz BIYSJRRRZPPVGR-ZYHUDNBSSA-N 1 2 316.365 0.856 10 0 DCAELO Cc1nc([C@H]2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CCO2)n[nH]1 ZINC000548091797 288110651 /nfs/dbraw/zinc/11/06/51/288110651.db2.gz BIYSJRRRZPPVGR-ZYHUDNBSSA-N 1 2 316.365 0.856 10 0 DCAELO O=C1NCC[C@@H]1[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000178289353 280290432 /nfs/dbraw/zinc/29/04/32/280290432.db2.gz RWBJIEUIOUFRTC-NSHDSACASA-N 1 2 303.391 0.702 10 0 DCAELO C[C@H](CO)CCCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000561014118 288523862 /nfs/dbraw/zinc/52/38/62/288523862.db2.gz JVLHGLDKCYCWKO-NSHDSACASA-N 1 2 304.350 0.798 10 0 DCAELO C[C@H](C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)n1cncn1 ZINC000113448294 289268544 /nfs/dbraw/zinc/26/85/44/289268544.db2.gz ONXWDTWKJLCLRT-ZIAGYGMSSA-N 1 2 307.398 0.552 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)C[C@@H]1C ZINC000333191079 290115719 /nfs/dbraw/zinc/11/57/19/290115719.db2.gz SCSDCGRKQNAAIH-RMEBNNNOSA-N 1 2 316.467 0.892 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)C[C@@H]1C ZINC000333191079 290115720 /nfs/dbraw/zinc/11/57/20/290115720.db2.gz SCSDCGRKQNAAIH-RMEBNNNOSA-N 1 2 316.467 0.892 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)C[C@H](C)[N@H+]1CCO ZINC000333186225 297061030 /nfs/dbraw/zinc/06/10/30/297061030.db2.gz QVJZQIXKBFOZFC-SEBNEYGDSA-N 1 2 316.467 0.892 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)C[C@H](C)[N@@H+]1CCO ZINC000333186225 297061032 /nfs/dbraw/zinc/06/10/32/297061032.db2.gz QVJZQIXKBFOZFC-SEBNEYGDSA-N 1 2 316.467 0.892 10 0 DCAELO C[C@@H]1C[NH+]=C(N2CCN(C(=O)[C@H]3CCCCC(=O)N3)CC2)S1 ZINC000194200615 297101470 /nfs/dbraw/zinc/10/14/70/297101470.db2.gz COQBVFJWNJUGKB-VXGBXAGGSA-N 1 2 324.450 0.681 10 0 DCAELO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1S(=O)(=O)[C@H]1CCCOC1 ZINC000329466741 297809168 /nfs/dbraw/zinc/80/91/68/297809168.db2.gz VTTQFWNSIDXJHY-HZSPNIEDSA-N 1 2 318.439 0.290 10 0 DCAELO C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000408041514 298148231 /nfs/dbraw/zinc/14/82/31/298148231.db2.gz HIEQGDFHJIPOKL-HLTSFMKQSA-N 1 2 308.304 0.151 10 0 DCAELO C[C@H](C(=O)NCC(F)(F)F)[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000408041514 298148233 /nfs/dbraw/zinc/14/82/33/298148233.db2.gz HIEQGDFHJIPOKL-HLTSFMKQSA-N 1 2 308.304 0.151 10 0 DCAELO C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1CCCc2nn(C)cc21 ZINC000583643006 336011228 /nfs/dbraw/zinc/01/12/28/336011228.db2.gz DUERDIZWBYOAHY-OCCSQVGLSA-N 1 2 321.425 0.817 10 0 DCAELO C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H]1CCCc2nn(C)cc21 ZINC000583643006 336011230 /nfs/dbraw/zinc/01/12/30/336011230.db2.gz DUERDIZWBYOAHY-OCCSQVGLSA-N 1 2 321.425 0.817 10 0 DCAELO C[C@]1(CO)CCCN1C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000584508392 337351586 /nfs/dbraw/zinc/35/15/86/337351586.db2.gz LQPRQWMPJAJGAL-OAHLLOKOSA-N 1 2 302.334 0.646 10 0 DCAELO O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N1CC(=O)N(C2CC2)C1 ZINC000584570172 337363662 /nfs/dbraw/zinc/36/36/62/337363662.db2.gz HXTXQMIFXTWIQV-UHFFFAOYSA-N 1 2 313.317 0.064 10 0 DCAELO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+](C)[C@@H](C)c2cnn(C)c2)C1 ZINC000246224298 519688565 /nfs/dbraw/zinc/68/85/65/519688565.db2.gz ZIKBRTLHEXVGFL-SWLSCSKDSA-N 1 2 321.425 0.540 10 0 DCAELO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+](C)[C@@H](C)c2cnn(C)c2)C1 ZINC000246224298 519688568 /nfs/dbraw/zinc/68/85/68/519688568.db2.gz ZIKBRTLHEXVGFL-SWLSCSKDSA-N 1 2 321.425 0.540 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C(=O)NC3CC3)cc2)C1 ZINC000161679793 523938491 /nfs/dbraw/zinc/93/84/91/523938491.db2.gz DDOPUZXHKPTSDZ-HNNXBMFYSA-N 1 2 317.389 0.639 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C(=O)NC3CC3)cc2)C1 ZINC000161679793 523938495 /nfs/dbraw/zinc/93/84/95/523938495.db2.gz DDOPUZXHKPTSDZ-HNNXBMFYSA-N 1 2 317.389 0.639 10 0 DCAELO C[C@@H](C(=O)NCC(F)(F)F)[NH+]1CCC(n2cncn2)CC1 ZINC000157758862 524173507 /nfs/dbraw/zinc/17/35/07/524173507.db2.gz CAJOKLUNSDBONW-VIFPVBQESA-N 1 2 305.304 0.982 10 0 DCAELO COc1ccsc1S(=O)(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000157175647 524881859 /nfs/dbraw/zinc/88/18/59/524881859.db2.gz PQCVJNYXAGEBGO-SECBINFHSA-N 1 2 306.409 0.366 10 0 DCAELO COc1ccsc1S(=O)(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000157175647 524881871 /nfs/dbraw/zinc/88/18/71/524881871.db2.gz PQCVJNYXAGEBGO-SECBINFHSA-N 1 2 306.409 0.366 10 0 DCAELO CC(=O)N1CC[NH+](CCNC(=O)[C@@H](C)c2ncccc2F)CC1 ZINC000330941897 526626511 /nfs/dbraw/zinc/62/65/11/526626511.db2.gz DLHIGNQZZHZAIM-LBPRGKRZSA-N 1 2 322.384 0.605 10 0 DCAELO CC[C@H](SC)C(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000328639455 529171251 /nfs/dbraw/zinc/17/12/51/529171251.db2.gz PNEPMKHDHBTKEO-QWRGUYRKSA-N 1 2 303.428 0.822 10 0 DCAELO CC[C@H](SC)C(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000328639455 529171253 /nfs/dbraw/zinc/17/12/53/529171253.db2.gz PNEPMKHDHBTKEO-QWRGUYRKSA-N 1 2 303.428 0.822 10 0 DCAELO CC[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc(N)cc2F)C1 ZINC000165783952 545876528 /nfs/dbraw/zinc/87/65/28/545876528.db2.gz RHUCXFRSAWOOBM-NSHDSACASA-N 1 2 317.386 0.407 10 0 DCAELO CC[N@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc(N)cc2F)C1 ZINC000165783952 545876534 /nfs/dbraw/zinc/87/65/34/545876534.db2.gz RHUCXFRSAWOOBM-NSHDSACASA-N 1 2 317.386 0.407 10 0 DCAELO COc1ccncc1CNC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000333000104 546068386 /nfs/dbraw/zinc/06/83/86/546068386.db2.gz SIYYNYFDNZQKBI-DZGCQCFKSA-N 1 2 320.393 0.705 10 0 DCAELO COc1ccncc1CNC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000333000104 546068388 /nfs/dbraw/zinc/06/83/88/546068388.db2.gz SIYYNYFDNZQKBI-DZGCQCFKSA-N 1 2 320.393 0.705 10 0 DCAELO CO[C@@H]1C[C@@H](c2[nH]c(C)c(C)[nH+]2)N(S(=O)(=O)C2COC2)C1 ZINC000888102887 661182959 /nfs/dbraw/zinc/18/29/59/661182959.db2.gz SRCDUVZLYANIBF-PWSUYJOCSA-N 1 2 315.395 0.517 10 0 DCAELO C[C@H]1C[N@H+](CCNC(=O)Nc2ccc(N(C)C)nc2)CCO1 ZINC000726258863 661654716 /nfs/dbraw/zinc/65/47/16/661654716.db2.gz LDOVWXIADUETFZ-LBPRGKRZSA-N 1 2 307.398 0.990 10 0 DCAELO C[C@H]1C[N@@H+](CCNC(=O)Nc2ccc(N(C)C)nc2)CCO1 ZINC000726258863 661654718 /nfs/dbraw/zinc/65/47/18/661654718.db2.gz LDOVWXIADUETFZ-LBPRGKRZSA-N 1 2 307.398 0.990 10 0 DCAELO C/C(=C\C(=O)N1CC[C@@H](n2ccnn2)C1)C[NH+]1CCOCC1 ZINC000911823587 664112745 /nfs/dbraw/zinc/11/27/45/664112745.db2.gz QZIXBKXCVVEEOE-JWAFFJSPSA-N 1 2 305.382 0.330 10 0 DCAELO CO[C@@H]1C[C@@H](CO)[N@H+](CCS(=O)(=O)C2CCCCC2)C1 ZINC000704088140 667178072 /nfs/dbraw/zinc/17/80/72/667178072.db2.gz XENCWFWTSXVPIO-QWHCGFSZSA-N 1 2 305.440 0.816 10 0 DCAELO CO[C@@H]1C[C@@H](CO)[N@@H+](CCS(=O)(=O)C2CCCCC2)C1 ZINC000704088140 667178074 /nfs/dbraw/zinc/17/80/74/667178074.db2.gz XENCWFWTSXVPIO-QWHCGFSZSA-N 1 2 305.440 0.816 10 0 DCAELO Cc1cnccc1C[NH+]1CCN([C@]2(C(N)=O)CCOC2)CC1 ZINC000886026649 667725239 /nfs/dbraw/zinc/72/52/39/667725239.db2.gz APQFWFRVBWNHCT-MRXNPFEDSA-N 1 2 304.394 0.152 10 0 DCAELO Cc1cc(C[NH+]2CCN([C@@]3(C(N)=O)CCOC3)CC2)ccc1F ZINC000886026658 667725345 /nfs/dbraw/zinc/72/53/45/667725345.db2.gz CDYXBUKRQPRMCK-KRWDZBQOSA-N 1 2 321.396 0.896 10 0 DCAELO CC(C)n1c[nH+]cc1CN1CCN([C@@]2(C(N)=O)CCOC2)CC1 ZINC000886026738 667725428 /nfs/dbraw/zinc/72/54/28/667725428.db2.gz SKAAEACOMRKLCP-INIZCTEOSA-N 1 2 321.425 0.226 10 0 DCAELO COc1ccnc(C[N@@H+]2CCC[C@](O)(c3cn[nH]n3)C2)c1OC ZINC000794044432 669771645 /nfs/dbraw/zinc/77/16/45/669771645.db2.gz NNNNZIHXGVJNJS-OAHLLOKOSA-N 1 2 319.365 0.701 10 0 DCAELO COc1ccnc(C[N@H+]2CCC[C@](O)(c3cn[nH]n3)C2)c1OC ZINC000794044432 669771649 /nfs/dbraw/zinc/77/16/49/669771649.db2.gz NNNNZIHXGVJNJS-OAHLLOKOSA-N 1 2 319.365 0.701 10 0 DCAELO Cn1cc(C[N@@H+]2CCC[C@@](O)(CO)C2)c(Br)n1 ZINC000714080966 670177831 /nfs/dbraw/zinc/17/78/31/670177831.db2.gz GHQPWBZTVTVNOR-NSHDSACASA-N 1 2 304.188 0.502 10 0 DCAELO Cn1cc(C[N@H+]2CCC[C@@](O)(CO)C2)c(Br)n1 ZINC000714080966 670177833 /nfs/dbraw/zinc/17/78/33/670177833.db2.gz GHQPWBZTVTVNOR-NSHDSACASA-N 1 2 304.188 0.502 10 0 DCAELO C[C@H](C(=O)NCc1ncc(Cl)s1)N1CC[NH2+]CC1=O ZINC000719443273 685311145 /nfs/dbraw/zinc/31/11/45/685311145.db2.gz UBKWGNVOFXKNBW-SSDOTTSWSA-N 1 2 302.787 0.233 10 0 DCAELO C[C@@H](CN1CCOCC1)NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000177399112 685147108 /nfs/dbraw/zinc/14/71/08/685147108.db2.gz ARBVQXLHHNCPTB-GJZGRUSLSA-N 1 2 321.425 0.778 10 0 DCAELO CC[N@@H+]1CCC[C@H](NC(=O)CS[C@H]2CCS(=O)(=O)C2)C1 ZINC000249751647 685183686 /nfs/dbraw/zinc/18/36/86/685183686.db2.gz DCJQLNMGUCTUBO-RYUDHWBXSA-N 1 2 320.480 0.507 10 0 DCAELO CC[N@H+]1CCC[C@H](NC(=O)CS[C@H]2CCS(=O)(=O)C2)C1 ZINC000249751647 685183692 /nfs/dbraw/zinc/18/36/92/685183692.db2.gz DCJQLNMGUCTUBO-RYUDHWBXSA-N 1 2 320.480 0.507 10 0 DCAELO Cc1cc(N2CC[C@@H]([N@@H+]3CCCC4(C3)OCCO4)C2=O)n(C)n1 ZINC000090561430 185303472 /nfs/dbraw/zinc/30/34/72/185303472.db2.gz FMUSCZSDRYMZSJ-CYBMUJFWSA-N 1 2 320.393 0.673 10 0 DCAELO Cc1cc(N2CC[C@@H]([N@H+]3CCCC4(C3)OCCO4)C2=O)n(C)n1 ZINC000090561430 185303473 /nfs/dbraw/zinc/30/34/73/185303473.db2.gz FMUSCZSDRYMZSJ-CYBMUJFWSA-N 1 2 320.393 0.673 10 0 DCAELO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)c2ccc(C(N)=O)o2)C1 ZINC000276228354 529788476 /nfs/dbraw/zinc/78/84/76/529788476.db2.gz DVRVNLHUCPZYIX-LBPRGKRZSA-N 1 2 321.377 0.561 10 0 DCAELO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)c2ccc(C(N)=O)o2)C1 ZINC000276228354 529788477 /nfs/dbraw/zinc/78/84/77/529788477.db2.gz DVRVNLHUCPZYIX-LBPRGKRZSA-N 1 2 321.377 0.561 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H](c3cc[nH]n3)C2)C1 ZINC000246713378 529789395 /nfs/dbraw/zinc/78/93/95/529789395.db2.gz FVFCNXFSOBKZHE-CHWSQXEVSA-N 1 2 307.398 0.629 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H](c3cc[nH]n3)C2)C1 ZINC000246713378 529789396 /nfs/dbraw/zinc/78/93/96/529789396.db2.gz FVFCNXFSOBKZHE-CHWSQXEVSA-N 1 2 307.398 0.629 10 0 DCAELO CS(=O)(=O)NCC[N@@H+]1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000253394910 186303941 /nfs/dbraw/zinc/30/39/41/186303941.db2.gz MNBUYJAAKXPWJJ-QWHCGFSZSA-N 1 2 302.371 0.483 10 0 DCAELO CS(=O)(=O)NCC[N@H+]1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000253394910 186303943 /nfs/dbraw/zinc/30/39/43/186303943.db2.gz MNBUYJAAKXPWJJ-QWHCGFSZSA-N 1 2 302.371 0.483 10 0 DCAELO C[C@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CCS1(=O)=O ZINC000172375178 198088076 /nfs/dbraw/zinc/08/80/76/198088076.db2.gz RTFJXIBIVRNRNP-GXTWGEPZSA-N 1 2 310.419 0.935 10 0 DCAELO CCNS(=O)(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1 ZINC000172458867 198099949 /nfs/dbraw/zinc/09/99/49/198099949.db2.gz DYQQRGZEUHKLIL-UHFFFAOYSA-N 1 2 318.468 0.814 10 0 DCAELO CCNS(=O)(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1 ZINC000172458867 198099950 /nfs/dbraw/zinc/09/99/50/198099950.db2.gz DYQQRGZEUHKLIL-UHFFFAOYSA-N 1 2 318.468 0.814 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)NCC(C)(C)O)nc[nH+]1 ZINC000173427641 198213438 /nfs/dbraw/zinc/21/34/38/198213438.db2.gz DGTNMYYMFACQEP-NSHDSACASA-N 1 2 322.413 0.557 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)NCC(C)(C)O)[nH+]cn1 ZINC000173427641 198213440 /nfs/dbraw/zinc/21/34/40/198213440.db2.gz DGTNMYYMFACQEP-NSHDSACASA-N 1 2 322.413 0.557 10 0 DCAELO NC(=O)c1cncc(NCc2cc[nH+]c(N3CCOCC3)c2)n1 ZINC000176773501 237204142 /nfs/dbraw/zinc/20/41/42/237204142.db2.gz PVYSZRQTNQNMDS-UHFFFAOYSA-N 1 2 314.349 0.419 10 0 DCAELO Cc1cc(C)nc(SCC(=O)N2CC[N@H+](CCO)[C@H](C)C2)n1 ZINC000187286359 200088995 /nfs/dbraw/zinc/08/89/95/200088995.db2.gz AHNYXJRPFUSPML-CYBMUJFWSA-N 1 2 324.450 0.711 10 0 DCAELO Cc1cc(C)nc(SCC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)n1 ZINC000187286359 200088997 /nfs/dbraw/zinc/08/89/97/200088997.db2.gz AHNYXJRPFUSPML-CYBMUJFWSA-N 1 2 324.450 0.711 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)c2ccccc2F)CC[N@@H+]1CCO ZINC000188726308 200293990 /nfs/dbraw/zinc/29/39/90/200293990.db2.gz RNPRAHGRSUUHSI-LLVKDONJSA-N 1 2 302.371 0.513 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)c2ccccc2F)CC[N@H+]1CCO ZINC000188726308 200293991 /nfs/dbraw/zinc/29/39/91/200293991.db2.gz RNPRAHGRSUUHSI-LLVKDONJSA-N 1 2 302.371 0.513 10 0 DCAELO CCc1cccc(S(=O)(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1 ZINC000188728349 200295919 /nfs/dbraw/zinc/29/59/19/200295919.db2.gz DSENEQRTKAEFNQ-CYBMUJFWSA-N 1 2 312.435 0.936 10 0 DCAELO CCc1cccc(S(=O)(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1 ZINC000188728349 200295921 /nfs/dbraw/zinc/29/59/21/200295921.db2.gz DSENEQRTKAEFNQ-CYBMUJFWSA-N 1 2 312.435 0.936 10 0 DCAELO COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000408335389 291380887 /nfs/dbraw/zinc/38/08/87/291380887.db2.gz HDRAKBOGOMQQDV-XQHKEYJVSA-N 1 2 318.439 0.682 10 0 DCAELO COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000408335389 291380889 /nfs/dbraw/zinc/38/08/89/291380889.db2.gz HDRAKBOGOMQQDV-XQHKEYJVSA-N 1 2 318.439 0.682 10 0 DCAELO CCc1nn(C)c(Cl)c1C[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000093530788 193264943 /nfs/dbraw/zinc/26/49/43/193264943.db2.gz NLXSWTYMYWJVMY-SECBINFHSA-N 1 2 320.846 0.759 10 0 DCAELO CCc1nn(C)c(Cl)c1C[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000093530788 193264945 /nfs/dbraw/zinc/26/49/45/193264945.db2.gz NLXSWTYMYWJVMY-SECBINFHSA-N 1 2 320.846 0.759 10 0 DCAELO Cc1[nH]c(=O)sc1S(=O)(=O)N1CCC([NH+](C)C)CC1 ZINC000037926498 182937314 /nfs/dbraw/zinc/93/73/14/182937314.db2.gz CZYQHLUZKDPXNM-UHFFFAOYSA-N 1 2 305.425 0.460 10 0 DCAELO C[C@@H]1CN(c2ccc(CNC(=O)NCCO)c[nH+]2)C[C@H](C)O1 ZINC000042874055 183316018 /nfs/dbraw/zinc/31/60/18/183316018.db2.gz VOSSJGBTIPSVSM-TXEJJXNPSA-N 1 2 308.382 0.487 10 0 DCAELO COc1ccccc1CCNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000104776951 194038283 /nfs/dbraw/zinc/03/82/83/194038283.db2.gz QEOLJNBUPGMFBD-AWEZNQCLSA-N 1 2 307.394 0.868 10 0 DCAELO COc1ccccc1CCNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000104776951 194038286 /nfs/dbraw/zinc/03/82/86/194038286.db2.gz QEOLJNBUPGMFBD-AWEZNQCLSA-N 1 2 307.394 0.868 10 0 DCAELO CCOc1ccnc(N2CC[NH+](CC(=O)NC(C)(C)C)CC2)n1 ZINC000105868350 194152136 /nfs/dbraw/zinc/15/21/36/194152136.db2.gz DMNHGXYHQOPLBB-UHFFFAOYSA-N 1 2 321.425 0.912 10 0 DCAELO C[C@@H]1CCCCN1S(=O)(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000329618926 296317414 /nfs/dbraw/zinc/31/74/14/296317414.db2.gz GISFULMQCUYNBF-KGLIPLIRSA-N 1 2 317.455 0.512 10 0 DCAELO CNc1nc(C)cc(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC000286533207 219039497 /nfs/dbraw/zinc/03/94/97/219039497.db2.gz VYWPCACQUIPPHK-QWHCGFSZSA-N 1 2 305.382 0.372 10 0 DCAELO CNc1nc(C)cc(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000286533207 219039498 /nfs/dbraw/zinc/03/94/98/219039498.db2.gz VYWPCACQUIPPHK-QWHCGFSZSA-N 1 2 305.382 0.372 10 0 DCAELO CN(C)C(=O)COC[C@H]1CCOC12C[NH+](Cc1ccccn1)C2 ZINC000248009289 257112389 /nfs/dbraw/zinc/11/23/89/257112389.db2.gz OZKYSDHMZNRRRS-CQSZACIVSA-N 1 2 319.405 0.777 10 0 DCAELO Cn1cc[nH+]c1[C@@H]1CN(C(=O)NCCOCC2CC2)CCN1C ZINC000275703624 130365924 /nfs/dbraw/zinc/36/59/24/130365924.db2.gz ULGPUDJVXCBCOI-AWEZNQCLSA-N 1 2 321.425 0.845 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccc(NC(N)=O)c3)C[C@H]21 ZINC000284230578 131061530 /nfs/dbraw/zinc/06/15/30/131061530.db2.gz VSMQUKGWIDYXHH-ZIAGYGMSSA-N 1 2 318.377 0.722 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccc(NC(N)=O)c3)C[C@H]21 ZINC000284230578 131061532 /nfs/dbraw/zinc/06/15/32/131061532.db2.gz VSMQUKGWIDYXHH-ZIAGYGMSSA-N 1 2 318.377 0.722 10 0 DCAELO CN(C)C(=O)COC[C@H]1CN(Cc2[nH]cc[nH+]2)CC(C)(C)O1 ZINC000284477233 131083954 /nfs/dbraw/zinc/08/39/54/131083954.db2.gz GGRKOEDHPPQEDF-GFCCVEGCSA-N 1 2 310.398 0.494 10 0 DCAELO Cn1ncc(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)c1C1CC1 ZINC000284495608 131086035 /nfs/dbraw/zinc/08/60/35/131086035.db2.gz NELRGFGYHUALTD-ZIAGYGMSSA-N 1 2 304.394 0.843 10 0 DCAELO Cn1ncc(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1C1CC1 ZINC000284495608 131086036 /nfs/dbraw/zinc/08/60/36/131086036.db2.gz NELRGFGYHUALTD-ZIAGYGMSSA-N 1 2 304.394 0.843 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)NCCc3nccs3)C[C@H]21 ZINC000285494497 131174412 /nfs/dbraw/zinc/17/44/12/131174412.db2.gz RJXSDUFKNZBJHM-NEPJUHHUSA-N 1 2 310.423 0.800 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)NCCc3nccs3)C[C@H]21 ZINC000285494497 131174413 /nfs/dbraw/zinc/17/44/13/131174413.db2.gz RJXSDUFKNZBJHM-NEPJUHHUSA-N 1 2 310.423 0.800 10 0 DCAELO Cc1cccc(C)c1NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000118115276 395860562 /nfs/dbraw/zinc/86/05/62/395860562.db2.gz PSEVTEWBKNMHSE-ZDUSSCGKSA-N 1 2 305.378 0.689 10 0 DCAELO Cc1cccc(C)c1NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000118115276 395860564 /nfs/dbraw/zinc/86/05/64/395860564.db2.gz PSEVTEWBKNMHSE-ZDUSSCGKSA-N 1 2 305.378 0.689 10 0 DCAELO Cc1[nH]ncc1CCCNC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000117022212 395850080 /nfs/dbraw/zinc/85/00/80/395850080.db2.gz GZZHDRCSTSANKV-CQSZACIVSA-N 1 2 309.414 0.623 10 0 DCAELO Cc1cnc(CCN(C)C(=O)NC[C@H]2C[N@H+](C)CCO2)s1 ZINC000119166270 395867695 /nfs/dbraw/zinc/86/76/95/395867695.db2.gz ORXPILCBTXPGDI-LBPRGKRZSA-N 1 2 312.439 0.966 10 0 DCAELO Cc1cnc(CCN(C)C(=O)NC[C@H]2C[N@@H+](C)CCO2)s1 ZINC000119166270 395867699 /nfs/dbraw/zinc/86/76/99/395867699.db2.gz ORXPILCBTXPGDI-LBPRGKRZSA-N 1 2 312.439 0.966 10 0 DCAELO CN1CC[N@H+](C[C@H](O)COCc2ccc(Cl)cc2)CC1=O ZINC000119436922 395870610 /nfs/dbraw/zinc/87/06/10/395870610.db2.gz DDSSUJAMTFZINA-AWEZNQCLSA-N 1 2 312.797 0.992 10 0 DCAELO CN1CC[N@@H+](C[C@H](O)COCc2ccc(Cl)cc2)CC1=O ZINC000119436922 395870612 /nfs/dbraw/zinc/87/06/12/395870612.db2.gz DDSSUJAMTFZINA-AWEZNQCLSA-N 1 2 312.797 0.992 10 0 DCAELO C[C@@H]1CN(C(=O)[C@H]2CCCn3ccnc32)C[C@@H]1[NH+]1CCOCC1 ZINC000245415362 395928052 /nfs/dbraw/zinc/92/80/52/395928052.db2.gz GBANHJNCHBZVNP-ILXRZTDVSA-N 1 2 318.421 0.940 10 0 DCAELO CC(C)NC(=O)c1ccc(C(=O)NC[C@H]2C[N@H+](C)CCO2)cc1 ZINC000119854852 395877497 /nfs/dbraw/zinc/87/74/97/395877497.db2.gz KJFQJDYITUJGOX-HNNXBMFYSA-N 1 2 319.405 0.885 10 0 DCAELO CC(C)NC(=O)c1ccc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000119854852 395877500 /nfs/dbraw/zinc/87/75/00/395877500.db2.gz KJFQJDYITUJGOX-HNNXBMFYSA-N 1 2 319.405 0.885 10 0 DCAELO Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000135574636 395941479 /nfs/dbraw/zinc/94/14/79/395941479.db2.gz DACYHCNQMOFLGI-FZMZJTMJSA-N 1 2 324.425 0.329 10 0 DCAELO OC[C@H]1CCCN1c1cc(N2CCO[C@@]3(CCOC3)C2)[nH+]cn1 ZINC000274434500 395947811 /nfs/dbraw/zinc/94/78/11/395947811.db2.gz SNNVDJQLFVQELR-CJNGLKHVSA-N 1 2 320.393 0.433 10 0 DCAELO OC[C@H]1CCCN1c1cc(N2CCO[C@@]3(CCOC3)C2)nc[nH+]1 ZINC000274434500 395947812 /nfs/dbraw/zinc/94/78/12/395947812.db2.gz SNNVDJQLFVQELR-CJNGLKHVSA-N 1 2 320.393 0.433 10 0 DCAELO O=C(N[C@H]1CCS(=O)(=O)C1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246351685 395948096 /nfs/dbraw/zinc/94/80/96/395948096.db2.gz DDMYJOBYMGULCX-RYUDHWBXSA-N 1 2 301.412 0.053 10 0 DCAELO O=C(N[C@H]1CCS(=O)(=O)C1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000246351685 395948098 /nfs/dbraw/zinc/94/80/98/395948098.db2.gz DDMYJOBYMGULCX-RYUDHWBXSA-N 1 2 301.412 0.053 10 0 DCAELO C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)N[C@H]2CCCOC2)C1 ZINC000276469225 396000009 /nfs/dbraw/zinc/00/00/09/396000009.db2.gz NMLJFPQURKWTIG-UONOGXRCSA-N 1 2 319.409 0.871 10 0 DCAELO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)N[C@H]2CCCOC2)C1 ZINC000276469225 396000011 /nfs/dbraw/zinc/00/00/11/396000011.db2.gz NMLJFPQURKWTIG-UONOGXRCSA-N 1 2 319.409 0.871 10 0 DCAELO CC(=O)NC[C@H]1C[N@H+](C[C@@H](O)COc2ccc(C)cc2)CCO1 ZINC000246668204 395955622 /nfs/dbraw/zinc/95/56/22/395955622.db2.gz HPFOFWMEWJCUDE-WBVHZDCISA-N 1 2 322.405 0.572 10 0 DCAELO CC(=O)NC[C@H]1C[N@@H+](C[C@@H](O)COc2ccc(C)cc2)CCO1 ZINC000246668204 395955626 /nfs/dbraw/zinc/95/56/26/395955626.db2.gz HPFOFWMEWJCUDE-WBVHZDCISA-N 1 2 322.405 0.572 10 0 DCAELO C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000247251352 395970991 /nfs/dbraw/zinc/97/09/91/395970991.db2.gz UANCKKPPBGAUCC-NXEZZACHSA-N 1 2 305.304 0.982 10 0 DCAELO C[C@H](C(=O)NCC(F)(F)F)[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000247251352 395970993 /nfs/dbraw/zinc/97/09/93/395970993.db2.gz UANCKKPPBGAUCC-NXEZZACHSA-N 1 2 305.304 0.982 10 0 DCAELO Cc1ccc(N2CCC[C@@H]([N@@H+]3CCO[C@@H](C(N)=O)C3)C2=O)cc1 ZINC000247701129 395977899 /nfs/dbraw/zinc/97/78/99/395977899.db2.gz XWFVHMVPCBQPKM-HUUCEWRRSA-N 1 2 317.389 0.677 10 0 DCAELO Cc1ccc(N2CCC[C@@H]([N@H+]3CCO[C@@H](C(N)=O)C3)C2=O)cc1 ZINC000247701129 395977904 /nfs/dbraw/zinc/97/79/04/395977904.db2.gz XWFVHMVPCBQPKM-HUUCEWRRSA-N 1 2 317.389 0.677 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)C1 ZINC000248281214 395984300 /nfs/dbraw/zinc/98/43/00/395984300.db2.gz VGOXZWUKXFGUHN-SLBVQIDZSA-N 1 2 301.390 0.955 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)C1 ZINC000248281214 395984304 /nfs/dbraw/zinc/98/43/04/395984304.db2.gz VGOXZWUKXFGUHN-SLBVQIDZSA-N 1 2 301.390 0.955 10 0 DCAELO CNC(=O)[C@H]1C[N@H+](C[C@@H](O)COc2ccc(C)cc2)CCO1 ZINC000248440357 395987021 /nfs/dbraw/zinc/98/70/21/395987021.db2.gz JHFSMWQCFVKIJO-UKRRQHHQSA-N 1 2 308.378 0.182 10 0 DCAELO CNC(=O)[C@H]1C[N@@H+](C[C@@H](O)COc2ccc(C)cc2)CCO1 ZINC000248440357 395987025 /nfs/dbraw/zinc/98/70/25/395987025.db2.gz JHFSMWQCFVKIJO-UKRRQHHQSA-N 1 2 308.378 0.182 10 0 DCAELO COC(=O)[C@H](C)CS(=O)(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000151808278 395992888 /nfs/dbraw/zinc/99/28/88/395992888.db2.gz UJLHLGFMWVQCIM-VXGBXAGGSA-N 1 2 304.412 0.295 10 0 DCAELO COC(=O)[C@H](C)CS(=O)(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000151808278 395992893 /nfs/dbraw/zinc/99/28/93/395992893.db2.gz UJLHLGFMWVQCIM-VXGBXAGGSA-N 1 2 304.412 0.295 10 0 DCAELO CCOCC[N@@H+]1CCN(S(=O)(=O)N2CCC[C@H]2C)C[C@@H]1C ZINC000248675738 395993984 /nfs/dbraw/zinc/99/39/84/395993984.db2.gz CVNSPMRGZZRTKT-KGLIPLIRSA-N 1 2 319.471 0.758 10 0 DCAELO CCOCC[N@H+]1CCN(S(=O)(=O)N2CCC[C@H]2C)C[C@@H]1C ZINC000248675738 395993985 /nfs/dbraw/zinc/99/39/85/395993985.db2.gz CVNSPMRGZZRTKT-KGLIPLIRSA-N 1 2 319.471 0.758 10 0 DCAELO O=C(CCC(=O)c1ccccc1)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000154132395 396032379 /nfs/dbraw/zinc/03/23/79/396032379.db2.gz CWEPKJCJJPOXKH-OAHLLOKOSA-N 1 2 320.389 0.459 10 0 DCAELO C[C@@H]1CCN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)CC[S@]1=O ZINC000277231554 396056740 /nfs/dbraw/zinc/05/67/40/396056740.db2.gz SWAOWZFJLPYFPI-GIYNXVAASA-N 1 2 324.450 0.785 10 0 DCAELO C[C@@H]1CCN(c2cc(N3CCC[C@@H]3CO)nc[nH+]2)CC[S@]1=O ZINC000277231554 396056741 /nfs/dbraw/zinc/05/67/41/396056741.db2.gz SWAOWZFJLPYFPI-GIYNXVAASA-N 1 2 324.450 0.785 10 0 DCAELO O=S(=O)(c1cccnc1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261775609 396064913 /nfs/dbraw/zinc/06/49/13/396064913.db2.gz SSMODJZGTHRHQW-CQSZACIVSA-N 1 2 304.375 0.812 10 0 DCAELO Cn1cc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)cn1 ZINC000261817254 396068770 /nfs/dbraw/zinc/06/87/70/396068770.db2.gz XKKCNVPWPJVAAV-CYBMUJFWSA-N 1 2 307.379 0.150 10 0 DCAELO O=C1[C@H]([N@H+]2C[C@@H](O)C[C@@H]2CO)CCN1c1c(F)cccc1F ZINC000249357437 396006291 /nfs/dbraw/zinc/00/62/91/396006291.db2.gz RQLLOGXUPLKGKQ-GBIKHYSHSA-N 1 2 312.316 0.498 10 0 DCAELO O=C1[C@H]([N@@H+]2C[C@@H](O)C[C@@H]2CO)CCN1c1c(F)cccc1F ZINC000249357437 396006294 /nfs/dbraw/zinc/00/62/94/396006294.db2.gz RQLLOGXUPLKGKQ-GBIKHYSHSA-N 1 2 312.316 0.498 10 0 DCAELO c1cnn(-c2cncc(NC[C@H]3C[N@@H+](C4CC4)CCO3)n2)c1 ZINC000066745837 396013771 /nfs/dbraw/zinc/01/37/71/396013771.db2.gz AVZBWHJBUOJHEW-ZDUSSCGKSA-N 1 2 300.366 0.937 10 0 DCAELO c1cnn(-c2cncc(NC[C@H]3C[N@H+](C4CC4)CCO3)n2)c1 ZINC000066745837 396013774 /nfs/dbraw/zinc/01/37/74/396013774.db2.gz AVZBWHJBUOJHEW-ZDUSSCGKSA-N 1 2 300.366 0.937 10 0 DCAELO C[C@@H](CNC(=O)NC[C@@H](CO)c1ccccc1)[NH+]1CCOCC1 ZINC000175772413 396142173 /nfs/dbraw/zinc/14/21/73/396142173.db2.gz ABFXOQAUWDASAM-HOCLYGCPSA-N 1 2 321.421 0.782 10 0 DCAELO CCNS(=O)(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000172458585 396132245 /nfs/dbraw/zinc/13/22/45/396132245.db2.gz MRIVKEFPUVXXFI-UHFFFAOYSA-N 1 2 315.443 0.009 10 0 DCAELO Cc1cc(NC(=O)CN(C)C(=O)[C@H]2CC(F)(F)C[NH2+]2)no1 ZINC000262941337 396193146 /nfs/dbraw/zinc/19/31/46/396193146.db2.gz IVBHCSNJHUXYPE-MRVPVSSYSA-N 1 2 302.281 0.377 10 0 DCAELO O=C(NCCNC(=O)[C@H]1CC(F)(F)C[NH2+]1)c1cccs1 ZINC000263099710 396201243 /nfs/dbraw/zinc/20/12/43/396201243.db2.gz ZGSTWDMEYOCHQM-MRVPVSSYSA-N 1 2 303.334 0.591 10 0 DCAELO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cccc3n[nH]nc32)C[C@@H]1C ZINC000182785410 396254367 /nfs/dbraw/zinc/25/43/67/396254367.db2.gz QITQNSYTGWFPHH-WDEREUQCSA-N 1 2 303.366 0.485 10 0 DCAELO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cccc3n[nH]nc32)C[C@@H]1C ZINC000182785410 396254370 /nfs/dbraw/zinc/25/43/70/396254370.db2.gz QITQNSYTGWFPHH-WDEREUQCSA-N 1 2 303.366 0.485 10 0 DCAELO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cccc3nn[nH]c32)C[C@@H]1C ZINC000182785410 396254372 /nfs/dbraw/zinc/25/43/72/396254372.db2.gz QITQNSYTGWFPHH-WDEREUQCSA-N 1 2 303.366 0.485 10 0 DCAELO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cccc3nn[nH]c32)C[C@@H]1C ZINC000182785410 396254375 /nfs/dbraw/zinc/25/43/75/396254375.db2.gz QITQNSYTGWFPHH-WDEREUQCSA-N 1 2 303.366 0.485 10 0 DCAELO O=C(C[N@H+]1C[C@H](O)C[C@@H]1CO)N1CCSc2ccccc21 ZINC000179177031 396222893 /nfs/dbraw/zinc/22/28/93/396222893.db2.gz XMIDNEDQNNRSQU-VXGBXAGGSA-N 1 2 308.403 0.553 10 0 DCAELO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1CO)N1CCSc2ccccc21 ZINC000179177031 396222898 /nfs/dbraw/zinc/22/28/98/396222898.db2.gz XMIDNEDQNNRSQU-VXGBXAGGSA-N 1 2 308.403 0.553 10 0 DCAELO Cc1ncc(C(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)[nH]1 ZINC000077615404 396227221 /nfs/dbraw/zinc/22/72/21/396227221.db2.gz MEFIATWEJFFYKC-CYBMUJFWSA-N 1 2 305.382 0.097 10 0 DCAELO OC[C@H]1C[C@H](O)C[N@@H+]1Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC000185138108 396318465 /nfs/dbraw/zinc/31/84/65/396318465.db2.gz WETDRQCYIUYUEO-KGLIPLIRSA-N 1 2 308.769 0.848 10 0 DCAELO OC[C@H]1C[C@H](O)C[N@H+]1Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC000185138108 396318469 /nfs/dbraw/zinc/31/84/69/396318469.db2.gz WETDRQCYIUYUEO-KGLIPLIRSA-N 1 2 308.769 0.848 10 0 DCAELO OC[C@H]1C[C@@H](O)C[N@@H+]1Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000185180685 396321102 /nfs/dbraw/zinc/32/11/02/396321102.db2.gz PIEYSBGULZELSK-NXEZZACHSA-N 1 2 311.288 0.942 10 0 DCAELO OC[C@H]1C[C@@H](O)C[N@H+]1Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000185180685 396321104 /nfs/dbraw/zinc/32/11/04/396321104.db2.gz PIEYSBGULZELSK-NXEZZACHSA-N 1 2 311.288 0.942 10 0 DCAELO O=C([C@@H]1CSC(=O)N1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184234298 396288370 /nfs/dbraw/zinc/28/83/70/396288370.db2.gz UCJDHFMUTLZQRX-NSHDSACASA-N 1 2 306.391 0.945 10 0 DCAELO C[C@@H]1OCC[C@H]1S(=O)(=O)NCCc1cn2ccccc2[nH+]1 ZINC000184341064 396291327 /nfs/dbraw/zinc/29/13/27/396291327.db2.gz UEBVBSLVCLJQCU-WCQYABFASA-N 1 2 309.391 0.974 10 0 DCAELO CNC(=O)CC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000185929957 396337690 /nfs/dbraw/zinc/33/76/90/396337690.db2.gz YCDVLXKCZPHDAG-OAHLLOKOSA-N 1 2 319.405 0.182 10 0 DCAELO CCSCc1cc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)no1 ZINC000186614997 396353273 /nfs/dbraw/zinc/35/32/73/396353273.db2.gz KXADQFKSUCIMAZ-LLVKDONJSA-N 1 2 310.423 0.657 10 0 DCAELO CC(C)Cn1cc[nH+]c1CNC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187266775 396365657 /nfs/dbraw/zinc/36/56/57/396365657.db2.gz ACPAQASFTGJEJI-UHFFFAOYSA-N 1 2 319.409 0.959 10 0 DCAELO C[C@@H](C(=O)N1CCCN(c2cccc[nH+]2)CC1)n1cncn1 ZINC000186433214 396350130 /nfs/dbraw/zinc/35/01/30/396350130.db2.gz NOTMAGLMZXVNIQ-ZDUSSCGKSA-N 1 2 300.366 0.973 10 0 DCAELO Cc1ccc(CNC(=O)C[N@@H+]2CCCNC(=O)[C@H]2C)cc1F ZINC000189345102 396394209 /nfs/dbraw/zinc/39/42/09/396394209.db2.gz RYRSSLQILYRFHY-GFCCVEGCSA-N 1 2 307.369 0.961 10 0 DCAELO Cc1ccc(CNC(=O)C[N@H+]2CCCNC(=O)[C@H]2C)cc1F ZINC000189345102 396394210 /nfs/dbraw/zinc/39/42/10/396394210.db2.gz RYRSSLQILYRFHY-GFCCVEGCSA-N 1 2 307.369 0.961 10 0 DCAELO CCc1cnc(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCO2)s1 ZINC000190494436 396407063 /nfs/dbraw/zinc/40/70/63/396407063.db2.gz LPOQHTIGGDEMNT-VIFPVBQESA-N 1 2 312.395 0.091 10 0 DCAELO CCc1cnc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCO2)s1 ZINC000190494436 396407064 /nfs/dbraw/zinc/40/70/64/396407064.db2.gz LPOQHTIGGDEMNT-VIFPVBQESA-N 1 2 312.395 0.091 10 0 DCAELO Cc1noc(-c2cccnc2NC[C@H](O)C[NH+]2CCOCC2)n1 ZINC000269395369 396411356 /nfs/dbraw/zinc/41/13/56/396411356.db2.gz WEWVQYBPDXTVSZ-LBPRGKRZSA-N 1 2 319.365 0.545 10 0 DCAELO COCCN1CCC[N@H+](CC(=O)N2CCCCCC2)CC1=O ZINC000190796505 396411877 /nfs/dbraw/zinc/41/18/77/396411877.db2.gz HXIJBGLYKDUOAV-UHFFFAOYSA-N 1 2 311.426 0.570 10 0 DCAELO COCCN1CCC[N@@H+](CC(=O)N2CCCCCC2)CC1=O ZINC000190796505 396411879 /nfs/dbraw/zinc/41/18/79/396411879.db2.gz HXIJBGLYKDUOAV-UHFFFAOYSA-N 1 2 311.426 0.570 10 0 DCAELO CN1CCCN(C(=O)NCCc2cn3ccccc3[nH+]2)CC1=O ZINC000191930388 396426931 /nfs/dbraw/zinc/42/69/31/396426931.db2.gz LVZSUBZYWOKXGY-UHFFFAOYSA-N 1 2 315.377 0.751 10 0 DCAELO Cc1ccc(CS(=O)(=O)NC[C@H]2C[N@H+](C)CCO2)c(F)c1 ZINC000192018970 396428600 /nfs/dbraw/zinc/42/86/00/396428600.db2.gz NLVPSGUBUQHZBG-ZDUSSCGKSA-N 1 2 316.398 0.884 10 0 DCAELO Cc1ccc(CS(=O)(=O)NC[C@H]2C[N@@H+](C)CCO2)c(F)c1 ZINC000192018970 396428603 /nfs/dbraw/zinc/42/86/03/396428603.db2.gz NLVPSGUBUQHZBG-ZDUSSCGKSA-N 1 2 316.398 0.884 10 0 DCAELO O=S(=O)(CC[N@H+]1C[C@@H](O)C[C@@H]1CO)c1ccc(F)cc1 ZINC000192712391 396436110 /nfs/dbraw/zinc/43/61/10/396436110.db2.gz VJWDORNDIZVZDF-NEPJUHHUSA-N 1 2 303.355 0.027 10 0 DCAELO O=S(=O)(CC[N@@H+]1C[C@@H](O)C[C@@H]1CO)c1ccc(F)cc1 ZINC000192712391 396436112 /nfs/dbraw/zinc/43/61/12/396436112.db2.gz VJWDORNDIZVZDF-NEPJUHHUSA-N 1 2 303.355 0.027 10 0 DCAELO COc1ccnc(NC2CC[NH+](Cc3nnc(C)n3C)CC2)n1 ZINC000192872036 396439309 /nfs/dbraw/zinc/43/93/09/396439309.db2.gz RZQGFNNAIUNKND-UHFFFAOYSA-N 1 2 317.397 0.999 10 0 DCAELO c1ccc2c(c1)[nH+]c(NCC1COC1)nc2NCC1COC1 ZINC000528226237 396550121 /nfs/dbraw/zinc/55/01/21/396550121.db2.gz NVWDGHITANQEGE-UHFFFAOYSA-N 1 2 300.362 0.590 10 0 DCAELO C[C@H]1CCCN(C(=O)C(=O)N2CC[NH2+][C@@H](c3cccnc3)C2)C1 ZINC000374362908 396658481 /nfs/dbraw/zinc/65/84/81/396658481.db2.gz GZNBSBYFBQVPNP-DZGCQCFKSA-N 1 2 316.405 0.813 10 0 DCAELO Cc1nnc2ccc(N3CCN(C)[C@@H](c4[nH+]ccn4C)C3)nn12 ZINC000373679295 396607120 /nfs/dbraw/zinc/60/71/20/396607120.db2.gz FECHSBISHJMYFN-GFCCVEGCSA-N 1 2 312.381 0.659 10 0 DCAELO COC[C@@H]1CN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CCO1 ZINC000561004996 396628249 /nfs/dbraw/zinc/62/82/49/396628249.db2.gz DVJHSKHMYQCOJD-LBPRGKRZSA-N 1 2 318.333 0.147 10 0 DCAELO O=C(NCCOCC1CC1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000584855928 396630828 /nfs/dbraw/zinc/63/08/28/396630828.db2.gz ATHQWAHACHENCF-UHFFFAOYSA-N 1 2 302.334 0.816 10 0 DCAELO Cc1noc(CCNC(=O)NCc2cn3c([nH+]2)CCCC3)n1 ZINC000588920314 396699826 /nfs/dbraw/zinc/69/98/26/396699826.db2.gz VBODLTGMBDXFMX-UHFFFAOYSA-N 1 2 304.354 0.953 10 0 DCAELO O=C(C[N@@H+]1CCN2CCOC[C@H]2C1)N(C1CC1)C1CCCC1 ZINC000375240996 396721058 /nfs/dbraw/zinc/72/10/58/396721058.db2.gz JRWQCMBSOSQZHL-MRXNPFEDSA-N 1 2 307.438 0.936 10 0 DCAELO O=C(C[N@H+]1CCN2CCOC[C@H]2C1)N(C1CC1)C1CCCC1 ZINC000375240996 396721059 /nfs/dbraw/zinc/72/10/59/396721059.db2.gz JRWQCMBSOSQZHL-MRXNPFEDSA-N 1 2 307.438 0.936 10 0 DCAELO NC(=O)[C@@]1(O)CCC[N@H+](Cc2ccc(Br)o2)C1 ZINC000310325975 396759461 /nfs/dbraw/zinc/75/94/61/396759461.db2.gz YSVDZVXVMFGDES-LLVKDONJSA-N 1 2 303.156 0.854 10 0 DCAELO NC(=O)[C@@]1(O)CCC[N@@H+](Cc2ccc(Br)o2)C1 ZINC000310325975 396759465 /nfs/dbraw/zinc/75/94/65/396759465.db2.gz YSVDZVXVMFGDES-LLVKDONJSA-N 1 2 303.156 0.854 10 0 DCAELO Cn1cnnc1[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2)CCO1 ZINC000328625349 396825058 /nfs/dbraw/zinc/82/50/58/396825058.db2.gz DAEGQFOPXLCSTI-ZFWWWQNUSA-N 1 2 318.377 0.628 10 0 DCAELO Cn1cnnc1[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2)CCO1 ZINC000328625349 396825063 /nfs/dbraw/zinc/82/50/63/396825063.db2.gz DAEGQFOPXLCSTI-ZFWWWQNUSA-N 1 2 318.377 0.628 10 0 DCAELO CN1CCN(C(=O)Cn2ccccc2=O)C[C@@H]1c1[nH]cc[nH+]1 ZINC000328633004 396826047 /nfs/dbraw/zinc/82/60/47/396826047.db2.gz SFKPDGFQFQTLMV-GFCCVEGCSA-N 1 2 301.350 0.087 10 0 DCAELO CN1CCN(C(=O)[C@H](O)c2ccccc2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000328639238 396829366 /nfs/dbraw/zinc/82/93/66/396829366.db2.gz WTSCRVMRJMIRHX-ZIAGYGMSSA-N 1 2 300.362 0.958 10 0 DCAELO CCN1CCN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@H]1c1[nH+]ccn1C ZINC000328643395 396829550 /nfs/dbraw/zinc/82/95/50/396829550.db2.gz YWBZIRCYPRLFPZ-STQMWFEESA-N 1 2 319.409 0.104 10 0 DCAELO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC000618754141 397022401 /nfs/dbraw/zinc/02/24/01/397022401.db2.gz DENGGLDKXIKRRW-RYUDHWBXSA-N 1 2 324.381 0.236 10 0 DCAELO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC000618754139 397022795 /nfs/dbraw/zinc/02/27/95/397022795.db2.gz DENGGLDKXIKRRW-NEPJUHHUSA-N 1 2 324.381 0.236 10 0 DCAELO CC(=O)c1ccccc1OCC[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000626083726 397075891 /nfs/dbraw/zinc/07/58/91/397075891.db2.gz AHQSXRLLEBMCFZ-CYBMUJFWSA-N 1 2 306.362 0.844 10 0 DCAELO CC(=O)c1ccccc1OCC[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000626083726 397075894 /nfs/dbraw/zinc/07/58/94/397075894.db2.gz AHQSXRLLEBMCFZ-CYBMUJFWSA-N 1 2 306.362 0.844 10 0 DCAELO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000366134408 397340799 /nfs/dbraw/zinc/34/07/99/397340799.db2.gz GDBVRKYDEQLUGQ-AAVRWANBSA-N 1 2 311.426 0.741 10 0 DCAELO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000366134408 397340802 /nfs/dbraw/zinc/34/08/02/397340802.db2.gz GDBVRKYDEQLUGQ-AAVRWANBSA-N 1 2 311.426 0.741 10 0 DCAELO C[C@@H]1CCO[C@@H]1C(=O)N1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000369173080 397433445 /nfs/dbraw/zinc/43/34/45/397433445.db2.gz DYQFAAYZAATALA-DOMZBBRYSA-N 1 2 309.410 0.176 10 0 DCAELO C[C@@H]1CCO[C@@H]1C(=O)N1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000369173080 397433448 /nfs/dbraw/zinc/43/34/48/397433448.db2.gz DYQFAAYZAATALA-DOMZBBRYSA-N 1 2 309.410 0.176 10 0 DCAELO CO[C@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1(C)C ZINC000578675265 397470825 /nfs/dbraw/zinc/47/08/25/397470825.db2.gz XXPDDMOSKQDKLP-STQMWFEESA-N 1 2 309.410 0.223 10 0 DCAELO O=C(N1CC[NH+]([C@H]2CCCCNC2=O)CC1)C1(O)CCCC1 ZINC000371091391 397543235 /nfs/dbraw/zinc/54/32/35/397543235.db2.gz VLAMOIKQVXRYKA-ZDUSSCGKSA-N 1 2 309.410 0.104 10 0 DCAELO CC(C)NC(=O)CN(C)CC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603881720 397624705 /nfs/dbraw/zinc/62/47/05/397624705.db2.gz GWIPIFJFMSFHEI-UHFFFAOYSA-N 1 2 303.366 0.729 10 0 DCAELO Cc1nnc(CN2CC[NH+](CC(=O)N(C(C)C)C(C)C)CC2)[nH]1 ZINC000605422609 397664332 /nfs/dbraw/zinc/66/43/32/397664332.db2.gz LICIDJWTKUXWQM-UHFFFAOYSA-N 1 2 322.457 0.876 10 0 DCAELO COc1ccc(OC)c2c1C[N@@H+]([C@@H]1CCN(C)C1=O)C[C@@H]2O ZINC000246810043 286345316 /nfs/dbraw/zinc/34/53/16/286345316.db2.gz BKCPEQIDYBPCJI-NEPJUHHUSA-N 1 2 306.362 0.784 10 0 DCAELO COc1ccc(OC)c2c1C[N@H+]([C@@H]1CCN(C)C1=O)C[C@@H]2O ZINC000246810043 286345320 /nfs/dbraw/zinc/34/53/20/286345320.db2.gz BKCPEQIDYBPCJI-NEPJUHHUSA-N 1 2 306.362 0.784 10 0 DCAELO COCCOCCC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000063286025 158030737 /nfs/dbraw/zinc/03/07/37/158030737.db2.gz KFEDVHJKFNQTNT-UHFFFAOYSA-N 1 2 304.350 0.937 10 0 DCAELO C[C@H](CS(C)(=O)=O)NC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000072682178 158052361 /nfs/dbraw/zinc/05/23/61/158052361.db2.gz OLYDMESGSUTGCB-LLVKDONJSA-N 1 2 303.428 0.299 10 0 DCAELO C[C@H](CS(C)(=O)=O)NC(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000072682178 158052365 /nfs/dbraw/zinc/05/23/65/158052365.db2.gz OLYDMESGSUTGCB-LLVKDONJSA-N 1 2 303.428 0.299 10 0 DCAELO CCOC(=O)CN1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC000105915306 158132599 /nfs/dbraw/zinc/13/25/99/158132599.db2.gz GEWSBIKUXAUFOF-HNNXBMFYSA-N 1 2 313.442 0.276 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)N(CCCO)CC(C)(C)C)C1 ZINC000106561329 158134330 /nfs/dbraw/zinc/13/43/30/158134330.db2.gz YFUPIOGWNCOABH-CYBMUJFWSA-N 1 2 301.431 0.757 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)N(CCCO)CC(C)(C)C)C1 ZINC000106561329 158134332 /nfs/dbraw/zinc/13/43/32/158134332.db2.gz YFUPIOGWNCOABH-CYBMUJFWSA-N 1 2 301.431 0.757 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNS(=O)(=O)Cc2cccc(F)c2)C1 ZINC000109341690 158138514 /nfs/dbraw/zinc/13/85/14/158138514.db2.gz BCYNLXOPLNWSBT-ZDUSSCGKSA-N 1 2 302.371 0.576 10 0 DCAELO C[N@H+]1CCO[C@@H](CNS(=O)(=O)Cc2cccc(F)c2)C1 ZINC000109341690 158138515 /nfs/dbraw/zinc/13/85/15/158138515.db2.gz BCYNLXOPLNWSBT-ZDUSSCGKSA-N 1 2 302.371 0.576 10 0 DCAELO C[C@@H](C(=O)NC1CCCCC1)[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116891795 158168325 /nfs/dbraw/zinc/16/83/25/158168325.db2.gz TUWSSFBFYVBXSG-AAEUAGOBSA-N 1 2 317.455 0.447 10 0 DCAELO C[C@@H](C(=O)NC1CCCCC1)[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116891795 158168332 /nfs/dbraw/zinc/16/83/32/158168332.db2.gz TUWSSFBFYVBXSG-AAEUAGOBSA-N 1 2 317.455 0.447 10 0 DCAELO CC(C)CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116892122 158168767 /nfs/dbraw/zinc/16/87/67/158168767.db2.gz KPRFRQJIEYVZMM-NEPJUHHUSA-N 1 2 305.444 0.161 10 0 DCAELO CC(C)CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116892122 158168768 /nfs/dbraw/zinc/16/87/68/158168768.db2.gz KPRFRQJIEYVZMM-NEPJUHHUSA-N 1 2 305.444 0.161 10 0 DCAELO COCC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(C)on2)C[C@H]1C ZINC000117285845 158170763 /nfs/dbraw/zinc/17/07/63/158170763.db2.gz WBBKAFLFZCJXPJ-SNVBAGLBSA-N 1 2 310.354 0.101 10 0 DCAELO COCC[N@H+]1CCN(C(=O)C(=O)Nc2cc(C)on2)C[C@H]1C ZINC000117285845 158170765 /nfs/dbraw/zinc/17/07/65/158170765.db2.gz WBBKAFLFZCJXPJ-SNVBAGLBSA-N 1 2 310.354 0.101 10 0 DCAELO CNC(=O)Cc1nc(C[N@H+](C)C2(C(N)=O)CCCC2)cs1 ZINC000120152239 158194489 /nfs/dbraw/zinc/19/44/89/158194489.db2.gz PJDUFUMLGXATNO-UHFFFAOYSA-N 1 2 310.423 0.662 10 0 DCAELO CNC(=O)Cc1nc(C[N@@H+](C)C2(C(N)=O)CCCC2)cs1 ZINC000120152239 158194492 /nfs/dbraw/zinc/19/44/92/158194492.db2.gz PJDUFUMLGXATNO-UHFFFAOYSA-N 1 2 310.423 0.662 10 0 DCAELO CCN(CC)C(=O)CCC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000120885107 158205269 /nfs/dbraw/zinc/20/52/69/158205269.db2.gz SCNKGGLVEAKTDG-AWEZNQCLSA-N 1 2 311.426 0.568 10 0 DCAELO CCOc1ccc(C[NH+]2CCN(C(=O)CC(=O)NC)CC2)cc1 ZINC000121249044 158209651 /nfs/dbraw/zinc/20/96/51/158209651.db2.gz KZOPSIOVHXINCO-UHFFFAOYSA-N 1 2 319.405 0.866 10 0 DCAELO Cc1noc(COCC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)n1 ZINC000121427767 158210702 /nfs/dbraw/zinc/21/07/02/158210702.db2.gz ZNYPRAPHRHAENC-CYBMUJFWSA-N 1 2 318.333 0.970 10 0 DCAELO C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000122886301 158225059 /nfs/dbraw/zinc/22/50/59/158225059.db2.gz IOHXFZHMJAFHJN-OONHEIRLSA-N 1 2 311.426 0.644 10 0 DCAELO C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000122886301 158225060 /nfs/dbraw/zinc/22/50/60/158225060.db2.gz IOHXFZHMJAFHJN-OONHEIRLSA-N 1 2 311.426 0.644 10 0 DCAELO Cc1cc(C[C@@H](C)NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)[nH]n1 ZINC000124822429 158248296 /nfs/dbraw/zinc/24/82/96/158248296.db2.gz XJUPSPQDIHZUDL-IUODEOHRSA-N 1 2 321.425 0.765 10 0 DCAELO CNC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+]2CCNC(=O)CC2)c1 ZINC000126185590 158263836 /nfs/dbraw/zinc/26/38/36/158263836.db2.gz DDMKAKIENZSHOM-LLVKDONJSA-N 1 2 318.377 0.195 10 0 DCAELO CNC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+]2CCNC(=O)CC2)c1 ZINC000126185590 158263839 /nfs/dbraw/zinc/26/38/39/158263839.db2.gz DDMKAKIENZSHOM-LLVKDONJSA-N 1 2 318.377 0.195 10 0 DCAELO CC(=O)N1CCC[C@H](C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000127407496 158272637 /nfs/dbraw/zinc/27/26/37/158272637.db2.gz UXYVMQHUKVNAQP-DZGCQCFKSA-N 1 2 309.410 0.224 10 0 DCAELO CC(=O)N1CCC[C@H](C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000127407496 158272641 /nfs/dbraw/zinc/27/26/41/158272641.db2.gz UXYVMQHUKVNAQP-DZGCQCFKSA-N 1 2 309.410 0.224 10 0 DCAELO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1cnn2c1CCCC2 ZINC000128175269 158278306 /nfs/dbraw/zinc/27/83/06/158278306.db2.gz JJSIFZUFVPHYEE-CYBMUJFWSA-N 1 2 304.394 0.812 10 0 DCAELO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1cnn2c1CCCC2 ZINC000128175269 158278308 /nfs/dbraw/zinc/27/83/08/158278308.db2.gz JJSIFZUFVPHYEE-CYBMUJFWSA-N 1 2 304.394 0.812 10 0 DCAELO 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ROBHRCQYFLFJFO-UHFFFAOYSA-N 1 2 302.440 0.754 10 0 DCAELO CN(C)c1[nH+]cccc1CNC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000172542078 158395908 /nfs/dbraw/zinc/39/59/08/158395908.db2.gz ZZISAPLVQLNCOL-WCQYABFASA-N 1 2 319.409 0.991 10 0 DCAELO CC(=O)N1CCC[C@@H](C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000172766203 158399965 /nfs/dbraw/zinc/39/99/65/158399965.db2.gz PHQPNFNROLRITD-HUUCEWRRSA-N 1 2 309.410 0.178 10 0 DCAELO C[C@@H](NC(=O)c1ccoc1)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172767612 158399997 /nfs/dbraw/zinc/39/99/97/158399997.db2.gz FHOXAAMGFIHIFY-OCCSQVGLSA-N 1 2 321.377 0.331 10 0 DCAELO C[C@H](NC(=O)c1cnn2ccncc12)[C@H](C)[NH+]1CCOCC1 ZINC000193171205 158580975 /nfs/dbraw/zinc/58/09/75/158580975.db2.gz DDVUOSNXZHCJLF-RYUDHWBXSA-N 1 2 303.366 0.568 10 0 DCAELO Cc1noc([C@@H](C)N2CC[NH+]([C@@H]3CCN(C4CC4)C3=O)CC2)n1 ZINC000328669553 159019485 /nfs/dbraw/zinc/01/94/85/159019485.db2.gz MBUUGFJJMLDBMN-BXUZGUMPSA-N 1 2 319.409 0.820 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cn(C(C)(C)C)nn3)C[C@@H]21 ZINC000328875894 159037252 /nfs/dbraw/zinc/03/72/52/159037252.db2.gz JYDWMVZKDHHWGB-QWHCGFSZSA-N 1 2 307.398 0.578 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cn(C(C)(C)C)nn3)C[C@@H]21 ZINC000328875894 159037254 /nfs/dbraw/zinc/03/72/54/159037254.db2.gz JYDWMVZKDHHWGB-QWHCGFSZSA-N 1 2 307.398 0.578 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)CCOC[C@@H]3CCCO3)C[C@@H]21 ZINC000328914434 159040825 /nfs/dbraw/zinc/04/08/25/159040825.db2.gz QEGMQEKWAWNOMG-SOUVJXGZSA-N 1 2 312.410 0.504 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)CCOC[C@@H]3CCCO3)C[C@@H]21 ZINC000328914434 159040826 /nfs/dbraw/zinc/04/08/26/159040826.db2.gz QEGMQEKWAWNOMG-SOUVJXGZSA-N 1 2 312.410 0.504 10 0 DCAELO CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)[C@@H]2C[C@H](OC)C[N@@H+]2C)C1 ZINC000329003074 159051112 /nfs/dbraw/zinc/05/11/12/159051112.db2.gz HJDNXNXYTWMXIF-RNJOBUHISA-N 1 2 323.397 0.121 10 0 DCAELO CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)[C@@H]2C[C@H](OC)C[N@H+]2C)C1 ZINC000329003074 159051113 /nfs/dbraw/zinc/05/11/13/159051113.db2.gz HJDNXNXYTWMXIF-RNJOBUHISA-N 1 2 323.397 0.121 10 0 DCAELO CC[C@@H]1CN(C(=O)[C@@H]2CCc3[nH]nnc3C2)CC[N@@H+]1CCOC ZINC000329053106 159055646 /nfs/dbraw/zinc/05/56/46/159055646.db2.gz XAGMXLGQMGGANF-CHWSQXEVSA-N 1 2 321.425 0.479 10 0 DCAELO CC[C@@H]1CN(C(=O)[C@@H]2CCc3[nH]nnc3C2)CC[N@H+]1CCOC ZINC000329053106 159055648 /nfs/dbraw/zinc/05/56/48/159055648.db2.gz XAGMXLGQMGGANF-CHWSQXEVSA-N 1 2 321.425 0.479 10 0 DCAELO CC[C@@H]1CN(C(=O)[C@@H]2CCc3nn[nH]c3C2)CC[N@@H+]1CCOC ZINC000329053106 159055650 /nfs/dbraw/zinc/05/56/50/159055650.db2.gz XAGMXLGQMGGANF-CHWSQXEVSA-N 1 2 321.425 0.479 10 0 DCAELO CC[C@@H]1CN(C(=O)[C@@H]2CCc3nn[nH]c3C2)CC[N@H+]1CCOC ZINC000329053106 159055651 /nfs/dbraw/zinc/05/56/51/159055651.db2.gz XAGMXLGQMGGANF-CHWSQXEVSA-N 1 2 321.425 0.479 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnn4ncccc34)C[C@@H]21 ZINC000329205895 159073672 /nfs/dbraw/zinc/07/36/72/159073672.db2.gz XGCIALWGHIECSY-KBPBESRZSA-N 1 2 301.350 0.274 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)c3cnn4ncccc34)C[C@@H]21 ZINC000329205895 159073673 /nfs/dbraw/zinc/07/36/73/159073673.db2.gz XGCIALWGHIECSY-KBPBESRZSA-N 1 2 301.350 0.274 10 0 DCAELO C[C@H](C(=O)N1CC[C@H](Oc2ccccn2)C1)[NH+]1CCOCC1 ZINC000330067507 159139527 /nfs/dbraw/zinc/13/95/27/159139527.db2.gz UMOOKPLERUFRPL-KGLIPLIRSA-N 1 2 305.378 0.782 10 0 DCAELO Cc1cn2c([nH+]1)[C@@H](CNS(=O)(=O)c1cnnn1C)CCC2 ZINC000330162682 159147261 /nfs/dbraw/zinc/14/72/61/159147261.db2.gz SJWVGHITLWOABL-SNVBAGLBSA-N 1 2 310.383 0.176 10 0 DCAELO CNC(=O)[C@H]1CCCN1C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000332727103 159210912 /nfs/dbraw/zinc/21/09/12/159210912.db2.gz RNVQJWKLBXWRDO-VXGBXAGGSA-N 1 2 305.382 0.681 10 0 DCAELO C[C@@H](NC(=O)C[N@@H+]1CCOCC[C@H]1C)C(=O)N1CCCCC1 ZINC000367662228 159349279 /nfs/dbraw/zinc/34/92/79/159349279.db2.gz NRYAWTVPHWJARA-ZIAGYGMSSA-N 1 2 311.426 0.614 10 0 DCAELO C[C@@H](NC(=O)C[N@H+]1CCOCC[C@H]1C)C(=O)N1CCCCC1 ZINC000367662228 159349280 /nfs/dbraw/zinc/34/92/80/159349280.db2.gz NRYAWTVPHWJARA-ZIAGYGMSSA-N 1 2 311.426 0.614 10 0 DCAELO COC(=O)C1(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)CC1 ZINC000408021860 160013574 /nfs/dbraw/zinc/01/35/74/160013574.db2.gz JRCSFFVWTWOAFX-NEPJUHHUSA-N 1 2 311.382 0.054 10 0 DCAELO COC(=O)C1(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)CC1 ZINC000408021860 160013576 /nfs/dbraw/zinc/01/35/76/160013576.db2.gz JRCSFFVWTWOAFX-NEPJUHHUSA-N 1 2 311.382 0.054 10 0 DCAELO CC1CCN(C(=O)C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)CC1 ZINC000408031456 160016313 /nfs/dbraw/zinc/01/63/13/160016313.db2.gz UOVZLIDBLZICHS-KGLIPLIRSA-N 1 2 309.410 0.176 10 0 DCAELO CC1CCN(C(=O)C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)CC1 ZINC000408031456 160016315 /nfs/dbraw/zinc/01/63/15/160016315.db2.gz UOVZLIDBLZICHS-KGLIPLIRSA-N 1 2 309.410 0.176 10 0 DCAELO Cc1noc([C@H]2C[N@H+]([C@H](C)C(=O)NC(C)(C)C)CCN2C)n1 ZINC000408033904 160017316 /nfs/dbraw/zinc/01/73/16/160017316.db2.gz BRYFNSFKYZJFCU-ZYHUDNBSSA-N 1 2 309.414 0.970 10 0 DCAELO Cc1noc([C@H]2C[N@@H+]([C@H](C)C(=O)NC(C)(C)C)CCN2C)n1 ZINC000408033904 160017317 /nfs/dbraw/zinc/01/73/17/160017317.db2.gz BRYFNSFKYZJFCU-ZYHUDNBSSA-N 1 2 309.414 0.970 10 0 DCAELO CN(C)S(=O)(=O)CC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000408185826 160054965 /nfs/dbraw/zinc/05/49/65/160054965.db2.gz MZFQJMQDMRDQCL-UHFFFAOYSA-N 1 2 300.384 0.007 10 0 DCAELO C[C@@H](C(=O)N1CCC[C@@H](Cn2cncn2)C1)[NH+]1CCN(C)CC1 ZINC000408201981 160059116 /nfs/dbraw/zinc/05/91/16/160059116.db2.gz HCTGMESNFYHERY-LSDHHAIUSA-N 1 2 320.441 0.153 10 0 DCAELO O=C(C[N@H+]1CCC[C@@](O)(C(F)(F)F)C1)NC1CCOCC1 ZINC000408215871 160062173 /nfs/dbraw/zinc/06/21/73/160062173.db2.gz AVHDZZYZGDTEDV-LBPRGKRZSA-N 1 2 310.316 0.671 10 0 DCAELO O=C(C[N@@H+]1CCC[C@@](O)(C(F)(F)F)C1)NC1CCOCC1 ZINC000408215871 160062174 /nfs/dbraw/zinc/06/21/74/160062174.db2.gz AVHDZZYZGDTEDV-LBPRGKRZSA-N 1 2 310.316 0.671 10 0 DCAELO C[C@H]1CCCN1S(=O)(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000408291050 160077738 /nfs/dbraw/zinc/07/77/38/160077738.db2.gz VBJBFXBBWOHSEC-LBPRGKRZSA-N 1 2 313.427 0.256 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)N2CCCC[C@@H]2C)C[C@@H]1C ZINC000408433111 160106857 /nfs/dbraw/zinc/10/68/57/160106857.db2.gz KKRYYVQNUWLJKP-IHRRRGAJSA-N 1 2 319.471 0.493 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)N2CCCC[C@@H]2C)C[C@@H]1C ZINC000408433111 160106859 /nfs/dbraw/zinc/10/68/59/160106859.db2.gz KKRYYVQNUWLJKP-IHRRRGAJSA-N 1 2 319.471 0.493 10 0 DCAELO CC[C@@H]1CN(S(=O)(=O)[C@@H]2CCO[C@@H]2C)CC[N@@H+]1CCOC ZINC000135697584 287023865 /nfs/dbraw/zinc/02/38/65/287023865.db2.gz FXQUHZGQYIIMFP-MGPQQGTHSA-N 1 2 320.455 0.536 10 0 DCAELO CC[C@@H]1CN(S(=O)(=O)[C@@H]2CCO[C@@H]2C)CC[N@H+]1CCOC ZINC000135697584 287023867 /nfs/dbraw/zinc/02/38/67/287023867.db2.gz FXQUHZGQYIIMFP-MGPQQGTHSA-N 1 2 320.455 0.536 10 0 DCAELO Cc1nc(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)c(=O)[nH]c1C ZINC000152778132 287044241 /nfs/dbraw/zinc/04/42/41/287044241.db2.gz LLBRPGCIZIRJDF-RYUDHWBXSA-N 1 2 308.382 0.226 10 0 DCAELO C[C@H](CNC(=O)C(=O)NCc1ccc(F)cc1)[NH+]1CCOCC1 ZINC000173067888 287052622 /nfs/dbraw/zinc/05/26/22/287052622.db2.gz BEGJKLYHSKSCBQ-GFCCVEGCSA-N 1 2 323.368 0.279 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)C[C@H]2CCCCO2)C[C@@H]1C ZINC000246092279 287076657 /nfs/dbraw/zinc/07/66/57/287076657.db2.gz KBNWQCSLQXOZAA-MELADBBJSA-N 1 2 320.455 0.272 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)C[C@H]2CCCCO2)C[C@@H]1C ZINC000246092279 287076658 /nfs/dbraw/zinc/07/66/58/287076658.db2.gz KBNWQCSLQXOZAA-MELADBBJSA-N 1 2 320.455 0.272 10 0 DCAELO O[C@@H](Cn1nnnc1/C=C\c1ccccc1)C[NH+]1CCOCC1 ZINC000255593487 287125889 /nfs/dbraw/zinc/12/58/89/287125889.db2.gz RZRNFCVRJABSEF-IDTUSYRASA-N 1 2 315.377 0.537 10 0 DCAELO CN1C(=O)CC[C@@H](Nc2cc(N3CCSCC3)nc[nH+]2)C1=O ZINC000333423696 415647079 /nfs/dbraw/zinc/64/70/79/415647079.db2.gz JQMIUNUHEJTGKR-SNVBAGLBSA-N 1 2 321.406 0.589 10 0 DCAELO CN1C(=O)CC[C@@H](Nc2cc(N3CCSCC3)[nH+]cn2)C1=O ZINC000333423696 415647084 /nfs/dbraw/zinc/64/70/84/415647084.db2.gz JQMIUNUHEJTGKR-SNVBAGLBSA-N 1 2 321.406 0.589 10 0 DCAELO C[N@@H+](CC(N)=O)C[C@@H]1CN([C@@H]2CCc3ccc(F)cc32)CCO1 ZINC000282113958 415578652 /nfs/dbraw/zinc/57/86/52/415578652.db2.gz QCSLYZOUSFYEKG-GDBMZVCRSA-N 1 2 321.396 0.931 10 0 DCAELO C[N@H+](CC(N)=O)C[C@@H]1CN([C@@H]2CCc3ccc(F)cc32)CCO1 ZINC000282113958 415578659 /nfs/dbraw/zinc/57/86/59/415578659.db2.gz QCSLYZOUSFYEKG-GDBMZVCRSA-N 1 2 321.396 0.931 10 0 DCAELO CN(CC(N)=O)C[C@@H]1C[N@@H+]([C@@H]2CCc3ccc(F)cc32)CCO1 ZINC000282113958 415578665 /nfs/dbraw/zinc/57/86/65/415578665.db2.gz QCSLYZOUSFYEKG-GDBMZVCRSA-N 1 2 321.396 0.931 10 0 DCAELO CN(CC(N)=O)C[C@@H]1C[N@H+]([C@@H]2CCc3ccc(F)cc32)CCO1 ZINC000282113958 415578671 /nfs/dbraw/zinc/57/86/71/415578671.db2.gz QCSLYZOUSFYEKG-GDBMZVCRSA-N 1 2 321.396 0.931 10 0 DCAELO C[C@@H](NC(=O)NC[C@@H]1C[N@H+](C)CCO1)C(=O)Nc1ccccc1 ZINC000112111344 415704321 /nfs/dbraw/zinc/70/43/21/415704321.db2.gz SSIBGHQTXDIZQM-TZMCWYRMSA-N 1 2 320.393 0.643 10 0 DCAELO C[C@@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCO1)C(=O)Nc1ccccc1 ZINC000112111344 415704329 /nfs/dbraw/zinc/70/43/29/415704329.db2.gz SSIBGHQTXDIZQM-TZMCWYRMSA-N 1 2 320.393 0.643 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@@H]2CCCO2)nc[nH+]1 ZINC000122705466 415836408 /nfs/dbraw/zinc/83/64/08/415836408.db2.gz YRSGHQPJDGAJAK-NEPJUHHUSA-N 1 2 305.382 0.782 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@@H]2CCCO2)[nH+]cn1 ZINC000122705466 415836414 /nfs/dbraw/zinc/83/64/14/415836414.db2.gz YRSGHQPJDGAJAK-NEPJUHHUSA-N 1 2 305.382 0.782 10 0 DCAELO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)C[C@H]2CCCCO2)CC1 ZINC000123235281 415838955 /nfs/dbraw/zinc/83/89/55/415838955.db2.gz HAEOZTDRBBKJBZ-ZIAGYGMSSA-N 1 2 320.455 0.274 10 0 DCAELO Cn1ncc(C(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c1-n1cccc1 ZINC000124140586 415847960 /nfs/dbraw/zinc/84/79/60/415847960.db2.gz AIZIQSGSAMZXHQ-KBPBESRZSA-N 1 2 315.377 0.366 10 0 DCAELO Cn1ncc(C(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1-n1cccc1 ZINC000124140586 415847966 /nfs/dbraw/zinc/84/79/66/415847966.db2.gz AIZIQSGSAMZXHQ-KBPBESRZSA-N 1 2 315.377 0.366 10 0 DCAELO O=C(Nc1cccc(-n2cc[nH+]c2)c1)C(=O)N1CCC[C@H]1CO ZINC000120926183 415791170 /nfs/dbraw/zinc/79/11/70/415791170.db2.gz PQKOMOQXBYHCJA-AWEZNQCLSA-N 1 2 314.345 0.794 10 0 DCAELO CC(=O)CCC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000337393484 415955904 /nfs/dbraw/zinc/95/59/04/415955904.db2.gz IHHIMJMLXRYYCD-GFCCVEGCSA-N 1 2 306.366 0.397 10 0 DCAELO C[C@H]1OCCN(Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]1C(N)=O ZINC000344864968 415999215 /nfs/dbraw/zinc/99/92/15/415999215.db2.gz MLZXQTSGDOTDNC-IUODEOHRSA-N 1 2 300.362 0.947 10 0 DCAELO CN(C)C(=O)CC(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000174759080 416085707 /nfs/dbraw/zinc/08/57/07/416085707.db2.gz YGIVKZUUEJQYQX-UHFFFAOYSA-N 1 2 318.421 0.851 10 0 DCAELO O=C(C[N@H+]1CC[C@](O)(C(F)(F)F)C1)NC(=O)NC1CCCC1 ZINC000174743817 416086916 /nfs/dbraw/zinc/08/69/16/416086916.db2.gz GMSSYQZHVNWFQT-GFCCVEGCSA-N 1 2 323.315 0.754 10 0 DCAELO O=C(C[N@@H+]1CC[C@](O)(C(F)(F)F)C1)NC(=O)NC1CCCC1 ZINC000174743817 416086919 /nfs/dbraw/zinc/08/69/19/416086919.db2.gz GMSSYQZHVNWFQT-GFCCVEGCSA-N 1 2 323.315 0.754 10 0 DCAELO COC(=O)[C@@H]1CCC[C@@H](C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000174869437 416087194 /nfs/dbraw/zinc/08/71/94/416087194.db2.gz AMILQAXINLSALW-UMVBOHGHSA-N 1 2 324.421 0.945 10 0 DCAELO COC(=O)[C@@H]1CCC[C@@H](C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000174869437 416087199 /nfs/dbraw/zinc/08/71/99/416087199.db2.gz AMILQAXINLSALW-UMVBOHGHSA-N 1 2 324.421 0.945 10 0 DCAELO CCS(=O)(=O)CCNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000176034252 416117782 /nfs/dbraw/zinc/11/77/82/416117782.db2.gz XVZDUTHDCMSMLW-LBPRGKRZSA-N 1 2 301.412 0.077 10 0 DCAELO Cc1cc(NC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)nn1C ZINC000328645935 416125632 /nfs/dbraw/zinc/12/56/32/416125632.db2.gz ZVHINECRNMSAKH-GFCCVEGCSA-N 1 2 317.397 0.983 10 0 DCAELO C[C@](O)(CNC(=O)c1cc(Cl)ccn1)C[NH+]1CCOCC1 ZINC000176904981 416135893 /nfs/dbraw/zinc/13/58/93/416135893.db2.gz YQKLCWCZVOUIKL-AWEZNQCLSA-N 1 2 313.785 0.548 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc4nncn4c3)C[C@H]21 ZINC000328892090 416136955 /nfs/dbraw/zinc/13/69/55/416136955.db2.gz SXRLBISEFXBGFN-OLZOCXBDSA-N 1 2 301.350 0.274 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc4nncn4c3)C[C@H]21 ZINC000328892090 416136956 /nfs/dbraw/zinc/13/69/56/416136956.db2.gz SXRLBISEFXBGFN-OLZOCXBDSA-N 1 2 301.350 0.274 10 0 DCAELO Cc1ccc(NC(=O)C(=O)NC[C@H]2C[NH+]3CCN2CC3)cc1C ZINC000178959090 416178940 /nfs/dbraw/zinc/17/89/40/416178940.db2.gz DWDQUUHDXHJMLU-HNNXBMFYSA-N 1 2 316.405 0.358 10 0 DCAELO Cc1ccccc1NC(=O)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178961911 416179545 /nfs/dbraw/zinc/17/95/45/416179545.db2.gz IGBLXSJSEOPXLK-ZDUSSCGKSA-N 1 2 302.378 0.050 10 0 DCAELO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2c(C)nn(C)c2OC)C1 ZINC000181555270 416209913 /nfs/dbraw/zinc/20/99/13/416209913.db2.gz UXKPISOLECHSKW-LLVKDONJSA-N 1 2 316.427 0.251 10 0 DCAELO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2c(C)nn(C)c2OC)C1 ZINC000181555270 416209916 /nfs/dbraw/zinc/20/99/16/416209916.db2.gz UXKPISOLECHSKW-LLVKDONJSA-N 1 2 316.427 0.251 10 0 DCAELO Cc1cc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2cnn(C)c2)c(C)o1 ZINC000181691860 416211972 /nfs/dbraw/zinc/21/19/72/416211972.db2.gz IEGQZMLWFAPHHN-CYBMUJFWSA-N 1 2 324.406 0.965 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2cnn(CCC(F)(F)F)c2)C1 ZINC000182377385 416220996 /nfs/dbraw/zinc/22/09/96/416220996.db2.gz FVKFUFBWJBBFIU-NSHDSACASA-N 1 2 320.315 0.896 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)c2cnn(CCC(F)(F)F)c2)C1 ZINC000182377385 416220997 /nfs/dbraw/zinc/22/09/97/416220997.db2.gz FVKFUFBWJBBFIU-NSHDSACASA-N 1 2 320.315 0.896 10 0 DCAELO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC000178283752 416161070 /nfs/dbraw/zinc/16/10/70/416161070.db2.gz UCUPHSAVISZIIU-NSHDSACASA-N 1 2 318.377 0.254 10 0 DCAELO CCN(CC(=O)NCc1ccc(F)cc1)C(=O)[C@@H]1COCC[NH2+]1 ZINC000178413085 416162218 /nfs/dbraw/zinc/16/22/18/416162218.db2.gz FZEQHNFCFSVMMQ-AWEZNQCLSA-N 1 2 323.368 0.279 10 0 DCAELO Cn1cnc(-c2ccc(C(=O)NC[C@@H]3C[N@H+](C)CCO3)cc2)n1 ZINC000183521701 416244074 /nfs/dbraw/zinc/24/40/74/416244074.db2.gz XNQBLIKSEATBQJ-CQSZACIVSA-N 1 2 315.377 0.543 10 0 DCAELO Cn1cnc(-c2ccc(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)cc2)n1 ZINC000183521701 416244079 /nfs/dbraw/zinc/24/40/79/416244079.db2.gz XNQBLIKSEATBQJ-CQSZACIVSA-N 1 2 315.377 0.543 10 0 DCAELO C[C@@H]1C[NH+]=C(N2CCN(C(=O)CCc3ccnn3C)CC2)S1 ZINC000187233432 416260624 /nfs/dbraw/zinc/26/06/24/416260624.db2.gz LPNWERNRUYUEEF-GFCCVEGCSA-N 1 2 321.450 0.988 10 0 DCAELO O=C(Nc1ccc(F)cn1)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000193368388 416315680 /nfs/dbraw/zinc/31/56/80/416315680.db2.gz NGLZEZOASYGCAD-LBPRGKRZSA-N 1 2 322.340 0.092 10 0 DCAELO COC(=O)[C@H](C1CC1)[NH+]1CCN(c2ncccc2C(N)=O)CC1 ZINC000359587659 416351719 /nfs/dbraw/zinc/35/17/19/416351719.db2.gz FSPPGZVNSMRSCA-ZDUSSCGKSA-N 1 2 318.377 0.254 10 0 DCAELO CNc1[nH+]cnc2c1cnn2Cc1noc(CCC(=O)OC)n1 ZINC000194420828 416322980 /nfs/dbraw/zinc/32/29/80/416322980.db2.gz YNSIXDKMDDYAIG-UHFFFAOYSA-N 1 2 317.309 0.405 10 0 DCAELO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000151253696 196654960 /nfs/dbraw/zinc/65/49/60/196654960.db2.gz PQTPLSDVVRNAFD-MNOVXSKESA-N 1 2 316.365 0.762 10 0 DCAELO CC1(C)C[C@H](NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)CCO1 ZINC000582187690 416447821 /nfs/dbraw/zinc/44/78/21/416447821.db2.gz KHHSLWUKMNCQGF-GFCCVEGCSA-N 1 2 309.410 0.367 10 0 DCAELO O=c1cc(C[N@@H+]2CCN3CCOC[C@@H]3C2)nc2sccn21 ZINC000368819777 416695470 /nfs/dbraw/zinc/69/54/70/416695470.db2.gz XTMGJSWNPFYYDO-LBPRGKRZSA-N 1 2 306.391 0.272 10 0 DCAELO O=c1cc(C[N@H+]2CCN3CCOC[C@@H]3C2)nc2sccn21 ZINC000368819777 416695473 /nfs/dbraw/zinc/69/54/73/416695473.db2.gz XTMGJSWNPFYYDO-LBPRGKRZSA-N 1 2 306.391 0.272 10 0 DCAELO CNc1ccc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cn1 ZINC000376647833 417034647 /nfs/dbraw/zinc/03/46/47/417034647.db2.gz AUNNVJHGVYDUEI-OAHLLOKOSA-N 1 2 318.421 1.450 10 0 DCAELO CC(=O)N1CCc2nc3cc([C@@H]4CCC[NH2+]C4)[nH]n3c(=O)c2C1 ZINC000616576699 417081686 /nfs/dbraw/zinc/08/16/86/417081686.db2.gz XJVSKBOSOHEUEU-LLVKDONJSA-N 1 2 315.377 0.807 10 0 DCAELO O=S(=O)(c1ccccc1)N1CC[NH2+]C[C@H]1c1cccnn1 ZINC000616603970 417083634 /nfs/dbraw/zinc/08/36/34/417083634.db2.gz JCJKNMMHMDMHMU-AWEZNQCLSA-N 1 2 304.375 0.812 10 0 DCAELO C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCCn3cc[nH+]c32)CCCO1 ZINC000569762422 417293121 /nfs/dbraw/zinc/29/31/21/417293121.db2.gz ODNXKEUFJMEHEL-CHWSQXEVSA-N 1 2 320.393 0.514 10 0 DCAELO CCOC(=O)[C@H]1C[N@H+](Cc2nc(CC)cc(=O)[nH]2)CC12COC2 ZINC000451141680 417307214 /nfs/dbraw/zinc/30/72/14/417307214.db2.gz VRVWIBOREWBXRC-GFCCVEGCSA-N 1 2 321.377 0.756 10 0 DCAELO CCOC(=O)[C@H]1C[N@@H+](Cc2nc(CC)cc(=O)[nH]2)CC12COC2 ZINC000451141680 417307223 /nfs/dbraw/zinc/30/72/23/417307223.db2.gz VRVWIBOREWBXRC-GFCCVEGCSA-N 1 2 321.377 0.756 10 0 DCAELO C[N@H+](Cc1cccnc1)C1CN(S(=O)(=O)c2cccnc2)C1 ZINC000575313045 417526718 /nfs/dbraw/zinc/52/67/18/417526718.db2.gz UNSQQSYKDBGPNM-UHFFFAOYSA-N 1 2 318.402 0.982 10 0 DCAELO C[N@@H+](Cc1cccnc1)C1CN(S(=O)(=O)c2cccnc2)C1 ZINC000575313045 417526721 /nfs/dbraw/zinc/52/67/21/417526721.db2.gz UNSQQSYKDBGPNM-UHFFFAOYSA-N 1 2 318.402 0.982 10 0 DCAELO Cc1nc2c(nccc2C(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)[nH]1 ZINC000299750607 229392618 /nfs/dbraw/zinc/39/26/18/229392618.db2.gz OAVVYJDKVSQQQJ-NWDGAFQWSA-N 1 2 301.350 0.421 10 0 DCAELO Cc1nc2c(nccc2C(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)[nH]1 ZINC000299750607 229392621 /nfs/dbraw/zinc/39/26/21/229392621.db2.gz OAVVYJDKVSQQQJ-NWDGAFQWSA-N 1 2 301.350 0.421 10 0 DCAELO COC(=O)c1cn([C@@H]2CCC[N@@H+]([C@@H](C(=O)OC)C3CC3)C2)nn1 ZINC000358033297 261617227 /nfs/dbraw/zinc/61/72/27/261617227.db2.gz DJFBIMSOWPVLMJ-DGCLKSJQSA-N 1 2 322.365 0.653 10 0 DCAELO COC(=O)c1cn([C@@H]2CCC[N@H+]([C@@H](C(=O)OC)C3CC3)C2)nn1 ZINC000358033297 261617229 /nfs/dbraw/zinc/61/72/29/261617229.db2.gz DJFBIMSOWPVLMJ-DGCLKSJQSA-N 1 2 322.365 0.653 10 0 DCAELO COC(=O)[C@@H]([NH2+]CCNC(=O)c1ccc(OC)cc1)C1CC1 ZINC000358841307 261705426 /nfs/dbraw/zinc/70/54/26/261705426.db2.gz VCBPIZFCBZMFIY-AWEZNQCLSA-N 1 2 306.362 0.966 10 0 DCAELO CN(C)C(=O)COC1C[NH+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000459591500 272002042 /nfs/dbraw/zinc/00/20/42/272002042.db2.gz LEWKFQVDRGOWAE-UHFFFAOYSA-N 1 2 315.377 0.556 10 0 DCAELO CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCN(C(C)(C)C(=O)OC)CC1 ZINC000494449048 272222657 /nfs/dbraw/zinc/22/26/57/272222657.db2.gz XQGDNCNOXPSQJG-OLZOCXBDSA-N 1 2 313.442 0.859 10 0 DCAELO CC(C)(C)NC(=O)C[N@@H+]1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000066893451 278357563 /nfs/dbraw/zinc/35/75/63/278357563.db2.gz FXVDFEVPECYRDB-ZDUSSCGKSA-N 1 2 311.426 0.614 10 0 DCAELO CC(C)(C)NC(=O)C[N@H+]1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000066893451 278357564 /nfs/dbraw/zinc/35/75/64/278357564.db2.gz FXVDFEVPECYRDB-ZDUSSCGKSA-N 1 2 311.426 0.614 10 0 DCAELO Cc1noc(CN2CC[NH+](CCNC(=O)NC(C)C)CC2)n1 ZINC000549917844 288208453 /nfs/dbraw/zinc/20/84/53/288208453.db2.gz UVXWFDBFMHACEJ-UHFFFAOYSA-N 1 2 310.402 0.203 10 0 DCAELO O=C(c1cn2c(n1)CCCC2)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000328696119 280225394 /nfs/dbraw/zinc/22/53/94/280225394.db2.gz GPQFHWZEKNNILD-ZDUSSCGKSA-N 1 2 304.394 0.766 10 0 DCAELO CCCNC(=O)CCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000552711082 288279713 /nfs/dbraw/zinc/27/97/13/288279713.db2.gz IMSGIVRLFXHGKX-UHFFFAOYSA-N 1 2 317.349 0.305 10 0 DCAELO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CCO1 ZINC000552779494 288280441 /nfs/dbraw/zinc/28/04/41/288280441.db2.gz DZNCHVJAKNAEQB-WDEREUQCSA-N 1 2 302.334 0.957 10 0 DCAELO O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N1CCC[C@H](CO)C1 ZINC000557378882 288418509 /nfs/dbraw/zinc/41/85/09/288418509.db2.gz WZABWVBRLUVZSM-NSHDSACASA-N 1 2 302.334 0.504 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000126360301 297050616 /nfs/dbraw/zinc/05/06/16/297050616.db2.gz QOICZCJJMRBYLG-TXEJJXNPSA-N 1 2 303.428 0.120 10 0 DCAELO C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000408020189 299022666 /nfs/dbraw/zinc/02/26/66/299022666.db2.gz BYLCDWNHHIUHDU-XQQFMLRXSA-N 1 2 311.426 0.469 10 0 DCAELO C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000408020189 299022671 /nfs/dbraw/zinc/02/26/71/299022671.db2.gz BYLCDWNHHIUHDU-XQQFMLRXSA-N 1 2 311.426 0.469 10 0 DCAELO C[C@H]1CN(S(=O)(=O)N2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000126360561 300282173 /nfs/dbraw/zinc/28/21/73/300282173.db2.gz QOICZCJJMRBYLG-RYUDHWBXSA-N 1 2 303.428 0.120 10 0 DCAELO CC(C)C[C@@H]1COCC[N@@H+]1CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000247033547 519276860 /nfs/dbraw/zinc/27/68/60/519276860.db2.gz REPDCJHNSKRTGL-ZIAGYGMSSA-N 1 2 311.426 0.457 10 0 DCAELO CC(C)C[C@@H]1COCC[N@H+]1CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000247033547 519276868 /nfs/dbraw/zinc/27/68/68/519276868.db2.gz REPDCJHNSKRTGL-ZIAGYGMSSA-N 1 2 311.426 0.457 10 0 DCAELO COc1cc(S(=O)(=O)N2CC[NH+](CCO)CC2)ccc1F ZINC000190464980 522894969 /nfs/dbraw/zinc/89/49/69/522894969.db2.gz XPKITWRMSIBLBS-UHFFFAOYSA-N 1 2 318.370 0.133 10 0 DCAELO COc1ccc(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)cn1 ZINC000266134631 523674232 /nfs/dbraw/zinc/67/42/32/523674232.db2.gz DRMGOTXKQDKOJC-JSGCOSHPSA-N 1 2 305.378 0.883 10 0 DCAELO CO[C@@H]1CC[C@H]2OCC[N@H+](CC(=O)NCc3cccnc3)[C@@H]2C1 ZINC000158073745 523724619 /nfs/dbraw/zinc/72/46/19/523724619.db2.gz SMWFNOFHARFZIO-BZUAXINKSA-N 1 2 319.405 0.966 10 0 DCAELO CO[C@@H]1CC[C@H]2OCC[N@@H+](CC(=O)NCc3cccnc3)[C@@H]2C1 ZINC000158073745 523724629 /nfs/dbraw/zinc/72/46/29/523724629.db2.gz SMWFNOFHARFZIO-BZUAXINKSA-N 1 2 319.405 0.966 10 0 DCAELO C[C@H]1CCCN(S(=O)(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000246094763 524102136 /nfs/dbraw/zinc/10/21/36/524102136.db2.gz AICWCJVBJYTHGG-JSGCOSHPSA-N 1 2 317.455 0.416 10 0 DCAELO C[C@H]1CCCN(S(=O)(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000246094763 524102146 /nfs/dbraw/zinc/10/21/46/524102146.db2.gz AICWCJVBJYTHGG-JSGCOSHPSA-N 1 2 317.455 0.416 10 0 DCAELO Cc1cccc(F)c1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000156923897 524497321 /nfs/dbraw/zinc/49/73/21/524497321.db2.gz PGWFHUJNQACQDO-GFCCVEGCSA-N 1 2 323.368 0.910 10 0 DCAELO C[C@@H](Cc1cccc(F)c1)C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000132289686 524905507 /nfs/dbraw/zinc/90/55/07/524905507.db2.gz CTEIOFMCOBQCHI-XJKSGUPXSA-N 1 2 324.396 0.814 10 0 DCAELO Cc1ccc(S(=O)(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1F ZINC000249451573 525543472 /nfs/dbraw/zinc/54/34/72/525543472.db2.gz MKGKTTHTUXLLFL-LBPRGKRZSA-N 1 2 316.398 0.821 10 0 DCAELO Cc1ccc(S(=O)(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1F ZINC000249451573 525543486 /nfs/dbraw/zinc/54/34/86/525543486.db2.gz MKGKTTHTUXLLFL-LBPRGKRZSA-N 1 2 316.398 0.821 10 0 DCAELO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@](O)(C(N)=O)C2)c1 ZINC000285254990 534891859 /nfs/dbraw/zinc/89/18/59/534891859.db2.gz ZGUDHQGWOPFQDT-QLJPJBMISA-N 1 2 319.361 0.138 10 0 DCAELO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@](O)(C(N)=O)C2)c1 ZINC000285254990 534891860 /nfs/dbraw/zinc/89/18/60/534891860.db2.gz ZGUDHQGWOPFQDT-QLJPJBMISA-N 1 2 319.361 0.138 10 0 DCAELO Cn1nccc1CCC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000126715961 527600984 /nfs/dbraw/zinc/60/09/84/527600984.db2.gz DQUQNGVXHKOIJT-OAHLLOKOSA-N 1 2 306.410 0.676 10 0 DCAELO CC[N@@H+](CC(=O)OC)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000299321439 527939207 /nfs/dbraw/zinc/93/92/07/527939207.db2.gz IFUYDCWMESIOOO-NSHDSACASA-N 1 2 320.345 0.138 10 0 DCAELO CC[N@H+](CC(=O)OC)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000299321439 527939209 /nfs/dbraw/zinc/93/92/09/527939209.db2.gz IFUYDCWMESIOOO-NSHDSACASA-N 1 2 320.345 0.138 10 0 DCAELO CCC(=O)N1CSC[C@H]1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000332787898 546059783 /nfs/dbraw/zinc/05/97/83/546059783.db2.gz OQBNQDNLFNTJHY-NEPJUHHUSA-N 1 2 315.439 0.135 10 0 DCAELO CCC(=O)N1CSC[C@H]1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000332787898 546059785 /nfs/dbraw/zinc/05/97/85/546059785.db2.gz OQBNQDNLFNTJHY-NEPJUHHUSA-N 1 2 315.439 0.135 10 0 DCAELO C[C@@H]1CN(C(=O)c2ccn(CC(F)F)n2)CC[N@@H+]1CCO ZINC000194550111 659508023 /nfs/dbraw/zinc/50/80/23/659508023.db2.gz HGFHIAACWANTJZ-SNVBAGLBSA-N 1 2 302.325 0.287 10 0 DCAELO C[C@@H]1CN(C(=O)c2ccn(CC(F)F)n2)CC[N@H+]1CCO ZINC000194550111 659508025 /nfs/dbraw/zinc/50/80/25/659508025.db2.gz HGFHIAACWANTJZ-SNVBAGLBSA-N 1 2 302.325 0.287 10 0 DCAELO O=C1[C@@H]([N@@H+]2CCO[C@@]3(CCCOC3)C2)CCN1C1CCOCC1 ZINC000329063916 659808036 /nfs/dbraw/zinc/80/80/36/659808036.db2.gz KKCUPLSZGPVHDZ-RDJZCZTQSA-N 1 2 324.421 0.648 10 0 DCAELO O=C1[C@@H]([N@H+]2CCO[C@@]3(CCCOC3)C2)CCN1C1CCOCC1 ZINC000329063916 659808041 /nfs/dbraw/zinc/80/80/41/659808041.db2.gz KKCUPLSZGPVHDZ-RDJZCZTQSA-N 1 2 324.421 0.648 10 0 DCAELO C[C@H](C(=O)NC[C@H]1C[N@H+](C)CCO1)N1CCc2ccccc21 ZINC000171286098 664606813 /nfs/dbraw/zinc/60/68/13/664606813.db2.gz OANSMECQORRHMF-HIFRSBDPSA-N 1 2 303.406 0.884 10 0 DCAELO C[C@H](C(=O)NC[C@H]1C[N@@H+](C)CCO1)N1CCc2ccccc21 ZINC000171286098 664606814 /nfs/dbraw/zinc/60/68/14/664606814.db2.gz OANSMECQORRHMF-HIFRSBDPSA-N 1 2 303.406 0.884 10 0 DCAELO CC(C)[N@H+](CCc1nccs1)CN1C(=O)C(=O)N(C)C1=O ZINC000151588976 664707958 /nfs/dbraw/zinc/70/79/58/664707958.db2.gz PNSWTUBPYFWAKC-UHFFFAOYSA-N 1 2 310.379 0.774 10 0 DCAELO CC(C)[N@@H+](CCc1nccs1)CN1C(=O)C(=O)N(C)C1=O ZINC000151588976 664707959 /nfs/dbraw/zinc/70/79/59/664707959.db2.gz PNSWTUBPYFWAKC-UHFFFAOYSA-N 1 2 310.379 0.774 10 0 DCAELO O=c1ccc2ccc(OC[C@@H](O)C[NH+]3CCOCC3)cc2o1 ZINC000153022240 664787426 /nfs/dbraw/zinc/78/74/26/664787426.db2.gz DSEVUJLVGDAOEW-ZDUSSCGKSA-N 1 2 305.330 0.865 10 0 DCAELO COC(=O)c1cn(CN2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)nn1 ZINC000246777373 685166268 /nfs/dbraw/zinc/16/62/68/685166268.db2.gz WZBFPAATKNYNGB-WCQYABFASA-N 1 2 304.354 0.802 10 0 DCAELO CC1(C)COCC[N@@H+]1CCNC(=O)Cn1nnc2ccccc21 ZINC000170863998 1183693018 /nfs/dbraw/zinc/69/30/18/1183693018.db2.gz NWNZIWVQDIIBLC-UHFFFAOYSA-N 1 2 317.393 0.658 10 0 DCAELO CC1(C)COCC[N@H+]1CCNC(=O)Cn1nnc2ccccc21 ZINC000170863998 1183693019 /nfs/dbraw/zinc/69/30/19/1183693019.db2.gz NWNZIWVQDIIBLC-UHFFFAOYSA-N 1 2 317.393 0.658 10 0 DCAELO O[C@H](CN1CCOCC1)C[N@@H+]1CCC=C(Br)C1 ZINC000404406466 774131190 /nfs/dbraw/zinc/13/11/90/774131190.db2.gz MERCIXJVVKMDSE-GFCCVEGCSA-N 1 2 305.216 0.664 10 0 DCAELO O[C@H](CN1CCOCC1)C[N@H+]1CCC=C(Br)C1 ZINC000404406466 774131195 /nfs/dbraw/zinc/13/11/95/774131195.db2.gz MERCIXJVVKMDSE-GFCCVEGCSA-N 1 2 305.216 0.664 10 0 DCAELO O[C@@H](CN1CCC=C(Br)C1)C[NH+]1CCOCC1 ZINC000404406466 774131199 /nfs/dbraw/zinc/13/11/99/774131199.db2.gz MERCIXJVVKMDSE-GFCCVEGCSA-N 1 2 305.216 0.664 10 0 DCAELO CC(C)c1nnc2n1C[C@@H](NC(=O)NCCn1cc[nH+]c1)CC2 ZINC000181353109 199284554 /nfs/dbraw/zinc/28/45/54/199284554.db2.gz YBRNCWBHNGLVHG-LBPRGKRZSA-N 1 2 317.397 0.912 10 0 DCAELO CN(CCN1CCCC1=O)c1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000301224846 529908894 /nfs/dbraw/zinc/90/88/94/529908894.db2.gz FEESTBMNKHGHOC-ZDUSSCGKSA-N 1 2 319.409 0.496 10 0 DCAELO CN(CCN1CCCC1=O)c1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000301224846 529908895 /nfs/dbraw/zinc/90/88/95/529908895.db2.gz FEESTBMNKHGHOC-ZDUSSCGKSA-N 1 2 319.409 0.496 10 0 DCAELO O=C1NC[C@]2(CCC[N@H+](Cc3nc4ccccc4[nH]c3=O)C2)O1 ZINC000072163873 191064291 /nfs/dbraw/zinc/06/42/91/191064291.db2.gz YVLGYARLBPHCDC-INIZCTEOSA-N 1 2 314.345 0.998 10 0 DCAELO O=C1NC[C@]2(CCC[N@@H+](Cc3nc4ccccc4[nH]c3=O)C2)O1 ZINC000072163873 191064293 /nfs/dbraw/zinc/06/42/93/191064293.db2.gz YVLGYARLBPHCDC-INIZCTEOSA-N 1 2 314.345 0.998 10 0 DCAELO Cn1cc([C@]2(C)CN(C(=O)[C@H]3CC(F)(F)C[NH2+]3)CCO2)cn1 ZINC000263024374 282683097 /nfs/dbraw/zinc/68/30/97/282683097.db2.gz RFCZDUFEXDJZRS-YPMHNXCESA-N 1 2 314.336 0.491 10 0 DCAELO O=C(c1cc([C@@H]2CCCC[N@H+]2CCO)[nH]n1)N1CCOCC1 ZINC000072380450 191143007 /nfs/dbraw/zinc/14/30/07/191143007.db2.gz FAVYQNAKXJCMNY-AWEZNQCLSA-N 1 2 308.382 0.401 10 0 DCAELO O=C(c1cc([C@@H]2CCCC[N@@H+]2CCO)[nH]n1)N1CCOCC1 ZINC000072380450 191143009 /nfs/dbraw/zinc/14/30/09/191143009.db2.gz FAVYQNAKXJCMNY-AWEZNQCLSA-N 1 2 308.382 0.401 10 0 DCAELO CCn1cc(C[N@@H+]2CCCN(C(=O)Cc3ccn[nH]3)CC2)cn1 ZINC000173156218 198189499 /nfs/dbraw/zinc/18/94/99/198189499.db2.gz VURAOGKCUPFVEL-UHFFFAOYSA-N 1 2 316.409 0.903 10 0 DCAELO CCn1cc(C[N@H+]2CCCN(C(=O)Cc3ccn[nH]3)CC2)cn1 ZINC000173156218 198189501 /nfs/dbraw/zinc/18/95/01/198189501.db2.gz VURAOGKCUPFVEL-UHFFFAOYSA-N 1 2 316.409 0.903 10 0 DCAELO CN1C[C@H](NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCC1=O ZINC000265730659 283236524 /nfs/dbraw/zinc/23/65/24/283236524.db2.gz BKTPBGWERXAERM-VXGBXAGGSA-N 1 2 305.382 0.920 10 0 DCAELO CS[C@H](C(=O)NC[C@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC000179479150 199043289 /nfs/dbraw/zinc/04/32/89/199043289.db2.gz RJFHHZPDAGCGFV-GJZGRUSLSA-N 1 2 324.446 0.900 10 0 DCAELO C[C@H]1CN(C(=O)C(=O)Nc2ccsc2)C[C@@H]1[NH+]1CCOCC1 ZINC000180259341 199137567 /nfs/dbraw/zinc/13/75/67/199137567.db2.gz WBNBBCLFAYMXIM-AAEUAGOBSA-N 1 2 323.418 0.866 10 0 DCAELO C[C@H](c1cnn(C)c1)N(C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000180337734 199147273 /nfs/dbraw/zinc/14/72/73/199147273.db2.gz VJOJVWFCMYMNOW-QWHCGFSZSA-N 1 2 309.414 0.843 10 0 DCAELO CC[C@H](O)C[NH+]1CCN(CC(=O)NOCc2ccccc2)CC1 ZINC000180517787 199169571 /nfs/dbraw/zinc/16/95/71/199169571.db2.gz AMHXXJLQFOSCLI-INIZCTEOSA-N 1 2 321.421 0.623 10 0 DCAELO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@@H]1C[C@@H]1C ZINC000162359887 237108384 /nfs/dbraw/zinc/10/83/84/237108384.db2.gz AJYKENFIDJYQRR-GXFFZTMASA-N 1 2 318.377 0.690 10 0 DCAELO CC(=O)Nc1nc(C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cs1 ZINC000188713873 200292083 /nfs/dbraw/zinc/29/20/83/200292083.db2.gz GCBZMJGKBWCEGR-VIFPVBQESA-N 1 2 312.395 0.240 10 0 DCAELO CC(=O)Nc1nc(C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cs1 ZINC000188713873 200292086 /nfs/dbraw/zinc/29/20/86/200292086.db2.gz GCBZMJGKBWCEGR-VIFPVBQESA-N 1 2 312.395 0.240 10 0 DCAELO CC(C)[N@@H+](CC(=O)OC(C)(C)C)C[C@H](O)CN1CCOCC1 ZINC000153972460 291209724 /nfs/dbraw/zinc/20/97/24/291209724.db2.gz HHHHGNXIZWOEAK-CQSZACIVSA-N 1 2 316.442 0.732 10 0 DCAELO CC(C)[N@H+](CC(=O)OC(C)(C)C)C[C@H](O)CN1CCOCC1 ZINC000153972460 291209725 /nfs/dbraw/zinc/20/97/25/291209725.db2.gz HHHHGNXIZWOEAK-CQSZACIVSA-N 1 2 316.442 0.732 10 0 DCAELO CC(C)N(CC(=O)OC(C)(C)C)C[C@H](O)C[NH+]1CCOCC1 ZINC000153972460 291209726 /nfs/dbraw/zinc/20/97/26/291209726.db2.gz HHHHGNXIZWOEAK-CQSZACIVSA-N 1 2 316.442 0.732 10 0 DCAELO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000246694398 238160412 /nfs/dbraw/zinc/16/04/12/238160412.db2.gz ZTAVCLVCLPIMAN-XVIXHAIJSA-N 1 2 311.426 0.454 10 0 DCAELO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000246694398 238160414 /nfs/dbraw/zinc/16/04/14/238160414.db2.gz ZTAVCLVCLPIMAN-XVIXHAIJSA-N 1 2 311.426 0.454 10 0 DCAELO Cc1ncc(C(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)c(C)n1 ZINC000276855148 238328724 /nfs/dbraw/zinc/32/87/24/238328724.db2.gz ZWGWKZCKMFAYAS-AWEZNQCLSA-N 1 2 314.393 0.956 10 0 DCAELO O=C(NC1CC1)c1noc([C@H]2CCC[N@@H+]2CCn2cccn2)n1 ZINC000328625891 291259633 /nfs/dbraw/zinc/25/96/33/291259633.db2.gz DQSXCJOYZSCOQH-GFCCVEGCSA-N 1 2 316.365 0.995 10 0 DCAELO O=C(NC1CC1)c1noc([C@H]2CCC[N@H+]2CCn2cccn2)n1 ZINC000328625891 291259636 /nfs/dbraw/zinc/25/96/36/291259636.db2.gz DQSXCJOYZSCOQH-GFCCVEGCSA-N 1 2 316.365 0.995 10 0 DCAELO C[C@@H]1C[NH+](C[C@H](O)COC[C@@H]2CCCO2)C[C@@H](C)S1=O ZINC000566772856 291322356 /nfs/dbraw/zinc/32/23/56/291322356.db2.gz JLGHGHNSAULNRG-MQYQWHSLSA-N 1 2 305.440 0.384 10 0 DCAELO COC[C@@H](NC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1)C1CC1 ZINC000275406345 212314133 /nfs/dbraw/zinc/31/41/33/212314133.db2.gz BJEQFHVZCWDYHR-KGLIPLIRSA-N 1 2 321.425 0.843 10 0 DCAELO CN(CC1(O)CCC1)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000568015692 291398024 /nfs/dbraw/zinc/39/80/24/291398024.db2.gz DUHCPAYVPVZEQZ-UHFFFAOYSA-N 1 2 302.334 0.646 10 0 DCAELO COC(=O)[C@@H]1CC[C@@H]1C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000367527223 291443500 /nfs/dbraw/zinc/44/35/00/291443500.db2.gz MUUUSFCQQHDQNY-ZOBORPQBSA-N 1 2 310.394 0.507 10 0 DCAELO CC[NH+]1CCN(S(=O)(=O)[C@H]2CCC[C@@H]2C(=O)OC)CC1 ZINC000233489531 261154057 /nfs/dbraw/zinc/15/40/57/261154057.db2.gz DXTMGYUYVBKKMA-RYUDHWBXSA-N 1 2 304.412 0.295 10 0 DCAELO Cc1cc([C@H]2CCCN(C(=O)NC[C@@H]3C[N@H+](C)CCO3)C2)[nH]n1 ZINC000282554062 217084648 /nfs/dbraw/zinc/08/46/48/217084648.db2.gz XLBHSTQUQXSICQ-UONOGXRCSA-N 1 2 321.425 0.938 10 0 DCAELO Cc1cc([C@H]2CCCN(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)C2)[nH]n1 ZINC000282554062 217084651 /nfs/dbraw/zinc/08/46/51/217084651.db2.gz XLBHSTQUQXSICQ-UONOGXRCSA-N 1 2 321.425 0.938 10 0 DCAELO Cc1cc([C@H]2CCCN(C(=O)NC[C@@H]3C[N@H+](C)CCO3)C2)n[nH]1 ZINC000282554062 217084652 /nfs/dbraw/zinc/08/46/52/217084652.db2.gz XLBHSTQUQXSICQ-UONOGXRCSA-N 1 2 321.425 0.938 10 0 DCAELO Cc1cc([C@H]2CCCN(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)C2)n[nH]1 ZINC000282554062 217084655 /nfs/dbraw/zinc/08/46/55/217084655.db2.gz XLBHSTQUQXSICQ-UONOGXRCSA-N 1 2 321.425 0.938 10 0 DCAELO CCN(C)C(=O)[C@H](C)NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000190065017 284318673 /nfs/dbraw/zinc/31/86/73/284318673.db2.gz WNMAQLJNUDSLJD-NSHDSACASA-N 1 2 307.398 0.814 10 0 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CDESFJDGTHFFFX-NSHDSACASA-N 1 2 313.317 0.843 10 0 DCAELO O=C(C[N@@H+]1CCCN(c2cccnn2)CC1)NCC(F)(F)F ZINC000105798240 194130953 /nfs/dbraw/zinc/13/09/53/194130953.db2.gz WQGAJFPRSDTOTB-UHFFFAOYSA-N 1 2 317.315 0.667 10 0 DCAELO O=C(C[N@H+]1CCCN(c2cccnn2)CC1)NCC(F)(F)F ZINC000105798240 194130956 /nfs/dbraw/zinc/13/09/56/194130956.db2.gz WQGAJFPRSDTOTB-UHFFFAOYSA-N 1 2 317.315 0.667 10 0 DCAELO CN1C(=O)N[C@@H]2CN(C(=O)Cc3cn4ccccc4[nH+]3)CC[C@@H]21 ZINC000286486332 219015146 /nfs/dbraw/zinc/01/51/46/219015146.db2.gz WBVROXLIEJIFCY-OLZOCXBDSA-N 1 2 313.361 0.501 10 0 DCAELO O=C1NC[C@H]2C[N@H+]([C@H]3CCc4ccc(F)cc43)CCN2C1=O ZINC000248182098 296384891 /nfs/dbraw/zinc/38/48/91/296384891.db2.gz WPFNADDYQUZSKF-JSGCOSHPSA-N 1 2 303.337 0.456 10 0 DCAELO O=C1NC[C@H]2C[N@@H+]([C@H]3CCc4ccc(F)cc43)CCN2C1=O ZINC000248182098 296384892 /nfs/dbraw/zinc/38/48/92/296384892.db2.gz WPFNADDYQUZSKF-JSGCOSHPSA-N 1 2 303.337 0.456 10 0 DCAELO Cn1cnc2c1nccc2-c1nc([C@@H]2C[NH+]3CCN2CC3)no1 ZINC000289655474 221132415 /nfs/dbraw/zinc/13/24/15/221132415.db2.gz KBUJLFUJUHJURB-NSHDSACASA-N 1 2 311.349 0.691 10 0 DCAELO COCCNC(=O)[C@@H]1CO[C@H]2C[N@H+](Cc3nccs3)C[C@H]21 ZINC000247907954 257115562 /nfs/dbraw/zinc/11/55/62/257115562.db2.gz XLSLKYJDSFLMHL-TUAOUCFPSA-N 1 2 311.407 0.353 10 0 DCAELO COCCNC(=O)[C@@H]1CO[C@H]2C[N@@H+](Cc3nccs3)C[C@H]21 ZINC000247907954 257115564 /nfs/dbraw/zinc/11/55/64/257115564.db2.gz XLSLKYJDSFLMHL-TUAOUCFPSA-N 1 2 311.407 0.353 10 0 DCAELO O=C([C@H]1CN(c2ncccn2)Cc2c[nH+]cn21)N1CCCO1 ZINC000247841047 257116337 /nfs/dbraw/zinc/11/63/37/257116337.db2.gz FMLYQIDPGHYKTG-GFCCVEGCSA-N 1 2 300.322 0.398 10 0 DCAELO CS(=O)(=O)NCC[C@@H]1CCOC12C[NH+](Cc1ccco1)C2 ZINC000247506177 257119710 /nfs/dbraw/zinc/11/97/10/257119710.db2.gz GZDIFBSAGQOHFT-GFCCVEGCSA-N 1 2 314.407 0.810 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)CCNC(=O)c3ccco3)C[C@@H]21 ZINC000284278618 131066070 /nfs/dbraw/zinc/06/60/70/131066070.db2.gz YRUQUDFBLHBILP-QWHCGFSZSA-N 1 2 321.377 0.331 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)CCNC(=O)c3ccco3)C[C@@H]21 ZINC000284278618 131066072 /nfs/dbraw/zinc/06/60/72/131066072.db2.gz YRUQUDFBLHBILP-QWHCGFSZSA-N 1 2 321.377 0.331 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnn4cccnc34)C[C@@H]21 ZINC000284367747 131074678 /nfs/dbraw/zinc/07/46/78/131074678.db2.gz FDVCDIRURQSULQ-STQMWFEESA-N 1 2 301.350 0.274 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)c3cnn4cccnc34)C[C@@H]21 ZINC000284367747 131074679 /nfs/dbraw/zinc/07/46/79/131074679.db2.gz FDVCDIRURQSULQ-STQMWFEESA-N 1 2 301.350 0.274 10 0 DCAELO O[C@@]1(Cn2ccnn2)CCCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000284665367 131101789 /nfs/dbraw/zinc/10/17/89/131101789.db2.gz HGGNHUDTXGNQGU-HNNXBMFYSA-N 1 2 300.366 0.977 10 0 DCAELO CN(C)S(=O)(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000285207030 131147047 /nfs/dbraw/zinc/14/70/47/131147047.db2.gz WWTRBWHJCSGJMA-LLVKDONJSA-N 1 2 302.400 0.284 10 0 DCAELO C[C@H](NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1)c1cnn(C)c1 ZINC000285524433 131177641 /nfs/dbraw/zinc/17/76/41/131177641.db2.gz TXJOLGDODMOHMA-FPMFFAJLSA-N 1 2 307.398 0.596 10 0 DCAELO C[C@H](NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1)c1cnn(C)c1 ZINC000285524433 131177642 /nfs/dbraw/zinc/17/76/42/131177642.db2.gz TXJOLGDODMOHMA-FPMFFAJLSA-N 1 2 307.398 0.596 10 0 DCAELO Cc1ccc(F)cc1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000041600949 395738461 /nfs/dbraw/zinc/73/84/61/395738461.db2.gz GGOIUYZOROHYLO-GFCCVEGCSA-N 1 2 323.368 0.910 10 0 DCAELO O=C([C@@H]1CCCCC(=O)N1)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000407967745 304315310 /nfs/dbraw/zinc/31/53/10/304315310.db2.gz RGOKWPHVXDZJNU-KBPBESRZSA-N 1 2 302.378 0.613 10 0 DCAELO NC(=O)N1CCC[N@H+](CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000111688387 395812549 /nfs/dbraw/zinc/81/25/49/395812549.db2.gz LAJPMAQWMIPLTR-KBPBESRZSA-N 1 2 324.425 0.243 10 0 DCAELO NC(=O)N1CCC[N@@H+](CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000111688387 395812550 /nfs/dbraw/zinc/81/25/50/395812550.db2.gz LAJPMAQWMIPLTR-KBPBESRZSA-N 1 2 324.425 0.243 10 0 DCAELO C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000195505351 395829656 /nfs/dbraw/zinc/82/96/56/395829656.db2.gz YADFVNVJTLQPCB-JTQLQIEISA-N 1 2 305.382 0.966 10 0 DCAELO CCOCC[N@@H+]1CCN(Cc2cc(=O)n3[nH]ccc3n2)C[C@@H]1C ZINC000108867438 395794387 /nfs/dbraw/zinc/79/43/87/395794387.db2.gz MIYRHWGLGOODFC-ZDUSSCGKSA-N 1 2 319.409 0.565 10 0 DCAELO CCOCC[N@H+]1CCN(Cc2cc(=O)n3[nH]ccc3n2)C[C@@H]1C ZINC000108867438 395794391 /nfs/dbraw/zinc/79/43/91/395794391.db2.gz MIYRHWGLGOODFC-ZDUSSCGKSA-N 1 2 319.409 0.565 10 0 DCAELO Cc1nn(C(F)F)c(C)c1CC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000194602587 395800782 /nfs/dbraw/zinc/80/07/82/395800782.db2.gz PNKPNLQNRHWXBI-NSHDSACASA-N 1 2 316.352 0.884 10 0 DCAELO Cc1nn(C(F)F)c(C)c1CC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000194602587 395800786 /nfs/dbraw/zinc/80/07/86/395800786.db2.gz PNKPNLQNRHWXBI-NSHDSACASA-N 1 2 316.352 0.884 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)nc2)C1 ZINC000126402199 395912329 /nfs/dbraw/zinc/91/23/29/395912329.db2.gz SRUQBLIMOYXRRB-JTQLQIEISA-N 1 2 312.757 0.120 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)nc2)C1 ZINC000126402199 395912334 /nfs/dbraw/zinc/91/23/34/395912334.db2.gz SRUQBLIMOYXRRB-JTQLQIEISA-N 1 2 312.757 0.120 10 0 DCAELO CC(=O)N1CCC[N@H+](CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000052310518 395862826 /nfs/dbraw/zinc/86/28/26/395862826.db2.gz ASPNQGGHICEWHX-HOTGVXAUSA-N 1 2 323.437 0.711 10 0 DCAELO CC(=O)N1CCC[N@@H+](CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000052310518 395862830 /nfs/dbraw/zinc/86/28/30/395862830.db2.gz ASPNQGGHICEWHX-HOTGVXAUSA-N 1 2 323.437 0.711 10 0 DCAELO CCc1nn(C)c(CC)c1CNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000119164663 395867899 /nfs/dbraw/zinc/86/78/99/395867899.db2.gz FWUDGWXMTKJSGQ-LBPRGKRZSA-N 1 2 323.441 0.675 10 0 DCAELO CCc1nn(C)c(CC)c1CNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000119164663 395867902 /nfs/dbraw/zinc/86/79/02/395867902.db2.gz FWUDGWXMTKJSGQ-LBPRGKRZSA-N 1 2 323.441 0.675 10 0 DCAELO CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000119637669 395874038 /nfs/dbraw/zinc/87/40/38/395874038.db2.gz DAZZACBOWXMQHN-TUVASFSCSA-N 1 2 311.426 0.772 10 0 DCAELO CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000119637669 395874041 /nfs/dbraw/zinc/87/40/41/395874041.db2.gz DAZZACBOWXMQHN-TUVASFSCSA-N 1 2 311.426 0.772 10 0 DCAELO O=C1NCC[C@@H]1[N@@H+]1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000245666766 395934466 /nfs/dbraw/zinc/93/44/66/395934466.db2.gz ANVOSSLOWTWZTJ-AWEZNQCLSA-N 1 2 323.418 0.272 10 0 DCAELO O=C1NCC[C@@H]1[N@H+]1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000245666766 395934467 /nfs/dbraw/zinc/93/44/67/395934467.db2.gz ANVOSSLOWTWZTJ-AWEZNQCLSA-N 1 2 323.418 0.272 10 0 DCAELO C[C@H]1CN(Cc2cn3cccnc3n2)C[C@H]1[NH+]1CCOCC1 ZINC000246281340 395946341 /nfs/dbraw/zinc/94/63/41/395946341.db2.gz AJUDANLRIVVWKV-DZGCQCFKSA-N 1 2 301.394 0.882 10 0 DCAELO C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](Oc2cccnc2)C1)C(=O)N(C)C ZINC000246423534 395949953 /nfs/dbraw/zinc/94/99/53/395949953.db2.gz APANJEDDARVOEZ-TZMCWYRMSA-N 1 2 320.393 0.128 10 0 DCAELO C[C@@H](NC(=O)C[N@H+]1CC[C@@H](Oc2cccnc2)C1)C(=O)N(C)C ZINC000246423534 395949956 /nfs/dbraw/zinc/94/99/56/395949956.db2.gz APANJEDDARVOEZ-TZMCWYRMSA-N 1 2 320.393 0.128 10 0 DCAELO CCOCC[N@@H+]1CCN(S(=O)(=O)C[C@H]2CCCO2)C[C@H]1C ZINC000247117903 395966515 /nfs/dbraw/zinc/96/65/15/395966515.db2.gz NUQYHIQWYRYLOQ-ZIAGYGMSSA-N 1 2 320.455 0.538 10 0 DCAELO CCOCC[N@H+]1CCN(S(=O)(=O)C[C@H]2CCCO2)C[C@H]1C ZINC000247117903 395966520 /nfs/dbraw/zinc/96/65/20/395966520.db2.gz NUQYHIQWYRYLOQ-ZIAGYGMSSA-N 1 2 320.455 0.538 10 0 DCAELO C[C@@H](C(=O)Nc1nccs1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000247239838 395969726 /nfs/dbraw/zinc/96/97/26/395969726.db2.gz XTWSXKWBWFVXCG-NWDGAFQWSA-N 1 2 310.423 0.877 10 0 DCAELO C[C@@H](C(=O)Nc1nccs1)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000247239838 395969730 /nfs/dbraw/zinc/96/97/30/395969730.db2.gz XTWSXKWBWFVXCG-NWDGAFQWSA-N 1 2 310.423 0.877 10 0 DCAELO C[C@@H](C(=O)Nc1nccs1)[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000247239838 395969734 /nfs/dbraw/zinc/96/97/34/395969734.db2.gz XTWSXKWBWFVXCG-NWDGAFQWSA-N 1 2 310.423 0.877 10 0 DCAELO NC(=O)[C@H]1CCC[N@@H+]1CC(=O)N1CCC(c2ccccc2)=N1 ZINC000061759263 395970847 /nfs/dbraw/zinc/97/08/47/395970847.db2.gz OMBIWOVKECFKPO-CQSZACIVSA-N 1 2 300.362 0.573 10 0 DCAELO NC(=O)[C@H]1CCC[N@H+]1CC(=O)N1CCC(c2ccccc2)=N1 ZINC000061759263 395970851 /nfs/dbraw/zinc/97/08/51/395970851.db2.gz OMBIWOVKECFKPO-CQSZACIVSA-N 1 2 300.362 0.573 10 0 DCAELO Cc1cc(NC(=O)C[N@@H+]2CCS[C@@H]3COCC[C@H]32)n(C)n1 ZINC000247310571 395971686 /nfs/dbraw/zinc/97/16/86/395971686.db2.gz VJQVQQBSOXBFFO-VXGBXAGGSA-N 1 2 310.423 0.873 10 0 DCAELO Cc1cc(NC(=O)C[N@H+]2CCS[C@@H]3COCC[C@H]32)n(C)n1 ZINC000247310571 395971689 /nfs/dbraw/zinc/97/16/89/395971689.db2.gz VJQVQQBSOXBFFO-VXGBXAGGSA-N 1 2 310.423 0.873 10 0 DCAELO CN1C[C@H](Nc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)CCC1=O ZINC000150878847 395974217 /nfs/dbraw/zinc/97/42/17/395974217.db2.gz UAHWZKKMVRMZDT-QWHCGFSZSA-N 1 2 319.409 0.718 10 0 DCAELO CN1C[C@H](Nc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CCC1=O ZINC000150878847 395974220 /nfs/dbraw/zinc/97/42/20/395974220.db2.gz UAHWZKKMVRMZDT-QWHCGFSZSA-N 1 2 319.409 0.718 10 0 DCAELO CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCn1cc[nH+]c1 ZINC000150966080 395976481 /nfs/dbraw/zinc/97/64/81/395976481.db2.gz FYYIYUMXUWJTLR-NSHDSACASA-N 1 2 303.370 0.871 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2ccncc2Br)C1 ZINC000151131980 395979879 /nfs/dbraw/zinc/97/98/79/395979879.db2.gz XNOLXFNIUFCHNZ-VIFPVBQESA-N 1 2 314.183 0.905 10 0 DCAELO CCC(=O)N1CC[C@H](C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000151228629 395981790 /nfs/dbraw/zinc/98/17/90/395981790.db2.gz FUZLWXWOMOVEBK-UONOGXRCSA-N 1 2 309.410 0.178 10 0 DCAELO CCOC(=O)[C@@H]1CCCN(C(=O)C[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000248317513 395984544 /nfs/dbraw/zinc/98/45/44/395984544.db2.gz NACDQXRZUREXKC-MELADBBJSA-N 1 2 312.410 0.897 10 0 DCAELO COCCCCS(=O)(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000248465796 395989213 /nfs/dbraw/zinc/98/92/13/395989213.db2.gz CTYTVWWSUKGRMR-ZIAGYGMSSA-N 1 2 320.455 0.395 10 0 DCAELO O=C(c1cn2c(n1)COCC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000065231606 395991554 /nfs/dbraw/zinc/99/15/54/395991554.db2.gz MJRYRXOSICWWAM-UHFFFAOYSA-N 1 2 313.361 0.771 10 0 DCAELO Cc1cc(=O)[nH]c(-c2ccc(NC(=O)[C@@H]3COCC[NH2+]3)cc2)n1 ZINC000153411662 396023834 /nfs/dbraw/zinc/02/38/34/396023834.db2.gz JNWFCVJVOBTMSI-ZDUSSCGKSA-N 1 2 314.345 0.672 10 0 DCAELO O=C(NCc1ccccc1Cn1cncn1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000261601762 396047760 /nfs/dbraw/zinc/04/77/60/396047760.db2.gz AIFBZLAVAIEDRN-CYBMUJFWSA-N 1 2 321.331 0.940 10 0 DCAELO C[S@@](=O)CCC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000155835366 396058341 /nfs/dbraw/zinc/05/83/41/396058341.db2.gz NVQDYMCAEAVPKG-RBZFPXEDSA-N 1 2 302.440 0.326 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC(=O)Nc3ccccc32)C1 ZINC000250526827 396015220 /nfs/dbraw/zinc/01/52/20/396015220.db2.gz QWJJUDXEUQDNMD-YPMHNXCESA-N 1 2 303.362 0.559 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC(=O)Nc3ccccc32)C1 ZINC000250526827 396015222 /nfs/dbraw/zinc/01/52/22/396015222.db2.gz QWJJUDXEUQDNMD-YPMHNXCESA-N 1 2 303.362 0.559 10 0 DCAELO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)C[C@@H](C)O1 ZINC000252443485 396019085 /nfs/dbraw/zinc/01/90/85/396019085.db2.gz ZKEDNKPKUYYANQ-MBNYWOFBSA-N 1 2 311.426 0.611 10 0 DCAELO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)C[C@@H](C)O1 ZINC000252443485 396019088 /nfs/dbraw/zinc/01/90/88/396019088.db2.gz ZKEDNKPKUYYANQ-MBNYWOFBSA-N 1 2 311.426 0.611 10 0 DCAELO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)CC(=O)NC2CC2)C[C@@H](C)O1 ZINC000252443487 396019133 /nfs/dbraw/zinc/01/91/33/396019133.db2.gz ZKEDNKPKUYYANQ-YRGRVCCFSA-N 1 2 311.426 0.611 10 0 DCAELO CC[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)CC(=O)NC2CC2)C[C@@H](C)O1 ZINC000252443487 396019137 /nfs/dbraw/zinc/01/91/37/396019137.db2.gz ZKEDNKPKUYYANQ-YRGRVCCFSA-N 1 2 311.426 0.611 10 0 DCAELO Cn1cc(CN2C[C@@H](F)C[C@H]2C[N@H+](C)[C@H]2CCOC2=O)cn1 ZINC000276677508 396021268 /nfs/dbraw/zinc/02/12/68/396021268.db2.gz ZNJDAWQQWHALBT-IHRRRGAJSA-N 1 2 310.373 0.580 10 0 DCAELO Cn1cc(CN2C[C@@H](F)C[C@H]2C[N@@H+](C)[C@H]2CCOC2=O)cn1 ZINC000276677508 396021270 /nfs/dbraw/zinc/02/12/70/396021270.db2.gz ZNJDAWQQWHALBT-IHRRRGAJSA-N 1 2 310.373 0.580 10 0 DCAELO C[C@@H](CNC(=O)NC[C@@H](O)C1CCCCC1)[NH+]1CCOCC1 ZINC000170839123 396098687 /nfs/dbraw/zinc/09/86/87/396098687.db2.gz WHQSZWURVBKIFN-DZGCQCFKSA-N 1 2 313.442 0.948 10 0 DCAELO O=C([C@H]1CNC(=O)C1)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000171020381 396104062 /nfs/dbraw/zinc/10/40/62/396104062.db2.gz OKWSNPGCHMOJAQ-LLVKDONJSA-N 1 2 308.407 0.314 10 0 DCAELO O=C([C@H]1CNC(=O)C1)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000171020381 396104064 /nfs/dbraw/zinc/10/40/64/396104064.db2.gz OKWSNPGCHMOJAQ-LLVKDONJSA-N 1 2 308.407 0.314 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(-c3ccco3)[nH]c2=O)C1 ZINC000171286965 396112379 /nfs/dbraw/zinc/11/23/79/396112379.db2.gz HXSXFMHXHVOCTN-LLVKDONJSA-N 1 2 317.345 0.695 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)c2ccc(-c3ccco3)[nH]c2=O)C1 ZINC000171286965 396112381 /nfs/dbraw/zinc/11/23/81/396112381.db2.gz HXSXFMHXHVOCTN-LLVKDONJSA-N 1 2 317.345 0.695 10 0 DCAELO Cc1nc(CN2CCN(C(=O)[C@@H]3CC(F)(F)C[NH2+]3)CC2)no1 ZINC000263184127 396205441 /nfs/dbraw/zinc/20/54/41/396205441.db2.gz HBYDGYWQLAGKSQ-JTQLQIEISA-N 1 2 315.324 0.019 10 0 DCAELO CN(C)C(=O)COc1ccc(NC(=O)[C@H]2COCC[NH2+]2)cc1 ZINC000262604423 396160453 /nfs/dbraw/zinc/16/04/53/396160453.db2.gz FJGHPUZKEUHSDJ-CYBMUJFWSA-N 1 2 307.350 0.081 10 0 DCAELO Cc1cc(NC(=O)CN2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)on1 ZINC000177241654 396170209 /nfs/dbraw/zinc/17/02/09/396170209.db2.gz JSACFHDYYHAXPK-WCQYABFASA-N 1 2 308.382 0.574 10 0 DCAELO Cc1cc(NC(=O)C[N@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)on1 ZINC000177241654 396170210 /nfs/dbraw/zinc/17/02/10/396170210.db2.gz JSACFHDYYHAXPK-WCQYABFASA-N 1 2 308.382 0.574 10 0 DCAELO Cc1cc(NC(=O)C[N@@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)on1 ZINC000177241654 396170212 /nfs/dbraw/zinc/17/02/12/396170212.db2.gz JSACFHDYYHAXPK-WCQYABFASA-N 1 2 308.382 0.574 10 0 DCAELO CCc1[nH+]c2ccccc2n1CC(=O)N[C@H]1CCC(=O)NC1=O ZINC000178564251 396199339 /nfs/dbraw/zinc/19/93/39/396199339.db2.gz ROUNLTZWPXVWIV-NSHDSACASA-N 1 2 314.345 0.520 10 0 DCAELO O=C(NCCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)c1ccc(F)cc1 ZINC000263102601 396201401 /nfs/dbraw/zinc/20/14/01/396201401.db2.gz ZQAHOPMMZDFWJJ-NSHDSACASA-N 1 2 315.295 0.669 10 0 DCAELO Cc1cc2c(cc1F)ncn(C[C@H](O)C[NH+]1CCOCC1)c2=O ZINC000182318286 396249374 /nfs/dbraw/zinc/24/93/74/396249374.db2.gz NGBVXEGNXMEMFP-GFCCVEGCSA-N 1 2 321.352 0.537 10 0 DCAELO Cc1ccn2cc(CNC(=O)N3CCNC(=O)CC3)[nH+]c2c1 ZINC000264298171 396268548 /nfs/dbraw/zinc/26/85/48/396268548.db2.gz NKTVJMNYUWUHSP-UHFFFAOYSA-N 1 2 301.350 0.674 10 0 DCAELO Cc1nc(C[N@H+](C)C[C@H]2CCCN(S(C)(=O)=O)C2)no1 ZINC000183715796 396273877 /nfs/dbraw/zinc/27/38/77/396273877.db2.gz STOXGHIGVXNCNI-LLVKDONJSA-N 1 2 302.400 0.481 10 0 DCAELO Cc1nc(C[N@@H+](C)C[C@H]2CCCN(S(C)(=O)=O)C2)no1 ZINC000183715796 396273879 /nfs/dbraw/zinc/27/38/79/396273879.db2.gz STOXGHIGVXNCNI-LLVKDONJSA-N 1 2 302.400 0.481 10 0 DCAELO Nc1nc(N)nc(C[N@@H+]2CCCN(c3ccccn3)CC2)n1 ZINC000183831532 396276129 /nfs/dbraw/zinc/27/61/29/396276129.db2.gz HHYIALWBCSSSGO-UHFFFAOYSA-N 1 2 300.370 0.143 10 0 DCAELO Nc1nc(N)nc(C[N@H+]2CCCN(c3ccccn3)CC2)n1 ZINC000183831532 396276130 /nfs/dbraw/zinc/27/61/30/396276130.db2.gz HHYIALWBCSSSGO-UHFFFAOYSA-N 1 2 300.370 0.143 10 0 DCAELO CCN(CC1CC1)S(=O)(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000183905516 396277392 /nfs/dbraw/zinc/27/73/92/396277392.db2.gz WFIQXRSMQZWYFB-AWEZNQCLSA-N 1 2 317.455 0.416 10 0 DCAELO CCN(CC1CC1)S(=O)(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000183905516 396277393 /nfs/dbraw/zinc/27/73/93/396277393.db2.gz WFIQXRSMQZWYFB-AWEZNQCLSA-N 1 2 317.455 0.416 10 0 DCAELO CC(C)[C@H](NC[C@H](O)C[NH+]1CCOCC1)c1nc(C2CC2)no1 ZINC000179813711 396229863 /nfs/dbraw/zinc/22/98/63/396229863.db2.gz DUUIIVDFJPSUFR-KBPBESRZSA-N 1 2 324.425 0.927 10 0 DCAELO CCOCC[N@@H+]1CCN(S(=O)(=O)N2CCC[C@@H]2C)C[C@@H]1C ZINC000184998280 396313662 /nfs/dbraw/zinc/31/36/62/396313662.db2.gz CVNSPMRGZZRTKT-KBPBESRZSA-N 1 2 319.471 0.758 10 0 DCAELO CCOCC[N@H+]1CCN(S(=O)(=O)N2CCC[C@@H]2C)C[C@@H]1C ZINC000184998280 396313663 /nfs/dbraw/zinc/31/36/63/396313663.db2.gz CVNSPMRGZZRTKT-KBPBESRZSA-N 1 2 319.471 0.758 10 0 DCAELO COc1cc(N2CC[NH+](CC(=O)NC(C)(C)C)CC2)ncn1 ZINC000184081885 396284764 /nfs/dbraw/zinc/28/47/64/396284764.db2.gz ZMTHDXFAPKPYEM-UHFFFAOYSA-N 1 2 307.398 0.522 10 0 DCAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC(CC(N)=O)CC1 ZINC000184276929 396289523 /nfs/dbraw/zinc/28/95/23/396289523.db2.gz XKHAYYNEIYZYLX-CQSZACIVSA-N 1 2 311.426 0.601 10 0 DCAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CCC(CC(N)=O)CC1 ZINC000184276929 396289525 /nfs/dbraw/zinc/28/95/25/396289525.db2.gz XKHAYYNEIYZYLX-CQSZACIVSA-N 1 2 311.426 0.601 10 0 DCAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)NCCCc1cnn(C)c1 ZINC000184363439 396291942 /nfs/dbraw/zinc/29/19/42/396291942.db2.gz BCSZWPXZXHXCNO-HNNXBMFYSA-N 1 2 308.426 0.970 10 0 DCAELO CCCC[N@H+]1CCOC[C@H]1C(=O)NCCCc1cnn(C)c1 ZINC000184363439 396291944 /nfs/dbraw/zinc/29/19/44/396291944.db2.gz BCSZWPXZXHXCNO-HNNXBMFYSA-N 1 2 308.426 0.970 10 0 DCAELO Cc1ccc(S(=O)(=O)CCC[N@@H+]2C[C@@H](O)C[C@@H]2CO)cc1 ZINC000185187653 396321152 /nfs/dbraw/zinc/32/11/52/396321152.db2.gz VODRVXSSBGVUNI-KGLIPLIRSA-N 1 2 313.419 0.586 10 0 DCAELO Cc1ccc(S(=O)(=O)CCC[N@H+]2C[C@@H](O)C[C@@H]2CO)cc1 ZINC000185187653 396321155 /nfs/dbraw/zinc/32/11/55/396321155.db2.gz VODRVXSSBGVUNI-KGLIPLIRSA-N 1 2 313.419 0.586 10 0 DCAELO Cn1nnc2ccc(C(=O)NCC[N@@H+]3CCOC(C)(C)C3)cc21 ZINC000185163084 396320173 /nfs/dbraw/zinc/32/01/73/396320173.db2.gz RFNFNSHWMNZBGM-UHFFFAOYSA-N 1 2 317.393 0.809 10 0 DCAELO Cn1nnc2ccc(C(=O)NCC[N@H+]3CCOC(C)(C)C3)cc21 ZINC000185163084 396320175 /nfs/dbraw/zinc/32/01/75/396320175.db2.gz RFNFNSHWMNZBGM-UHFFFAOYSA-N 1 2 317.393 0.809 10 0 DCAELO COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000184734965 396303340 /nfs/dbraw/zinc/30/33/40/396303340.db2.gz AFARDZKXYYYARV-YNEHKIRRSA-N 1 2 308.378 0.758 10 0 DCAELO COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000184734965 396303345 /nfs/dbraw/zinc/30/33/45/396303345.db2.gz AFARDZKXYYYARV-YNEHKIRRSA-N 1 2 308.378 0.758 10 0 DCAELO COCCn1c(C)cc(C(=O)C[N@@H+]2C[C@H](O)C[C@@H]2CO)c1C ZINC000184729598 396303892 /nfs/dbraw/zinc/30/38/92/396303892.db2.gz ZRGQJGIZYISZQN-ZIAGYGMSSA-N 1 2 310.394 0.362 10 0 DCAELO COCCn1c(C)cc(C(=O)C[N@H+]2C[C@H](O)C[C@@H]2CO)c1C ZINC000184729598 396303895 /nfs/dbraw/zinc/30/38/95/396303895.db2.gz ZRGQJGIZYISZQN-ZIAGYGMSSA-N 1 2 310.394 0.362 10 0 DCAELO O=C(N1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C1(O)CCC1 ZINC000184756480 396305176 /nfs/dbraw/zinc/30/51/76/396305176.db2.gz COKJAVQOQAJCFU-OAHLLOKOSA-N 1 2 304.390 0.779 10 0 DCAELO CN(C)c1noc(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)n1 ZINC000185239227 396322431 /nfs/dbraw/zinc/32/24/31/396322431.db2.gz JUYWIUKXKNYCAJ-GFCCVEGCSA-N 1 2 323.397 0.206 10 0 DCAELO CN(C)c1noc(C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)n1 ZINC000185239227 396322434 /nfs/dbraw/zinc/32/24/34/396322434.db2.gz JUYWIUKXKNYCAJ-GFCCVEGCSA-N 1 2 323.397 0.206 10 0 DCAELO O=C(N[C@H]1CCc2ncnn2C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000265753859 396341463 /nfs/dbraw/zinc/34/14/63/396341463.db2.gz PTGRFTRJKKGGES-RYUDHWBXSA-N 1 2 315.381 0.905 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)NCC[C@@](C)(O)c2ccccc2)C1 ZINC000186565664 396352812 /nfs/dbraw/zinc/35/28/12/396352812.db2.gz GURXGARRYZUZIP-DOTOQJQBSA-N 1 2 321.421 0.914 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)NCC[C@@](C)(O)c2ccccc2)C1 ZINC000186565664 396352816 /nfs/dbraw/zinc/35/28/16/396352816.db2.gz GURXGARRYZUZIP-DOTOQJQBSA-N 1 2 321.421 0.914 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3ccc(C(N)=O)nc3)C[C@H]21 ZINC000285778540 396353169 /nfs/dbraw/zinc/35/31/69/396353169.db2.gz MWPGMSYUFMZNMS-CHWSQXEVSA-N 1 2 319.365 0.117 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3ccc(C(N)=O)nc3)C[C@H]21 ZINC000285778540 396353173 /nfs/dbraw/zinc/35/31/73/396353173.db2.gz MWPGMSYUFMZNMS-CHWSQXEVSA-N 1 2 319.365 0.117 10 0 DCAELO CNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189708058 396397536 /nfs/dbraw/zinc/39/75/36/396397536.db2.gz DVCOETLNJRTMIH-JTQLQIEISA-N 1 2 320.397 0.253 10 0 DCAELO CC[C@H](CO)[NH+]1CCN(CCCCCS(=O)(=O)CC)CC1 ZINC000190606429 396408673 /nfs/dbraw/zinc/40/86/73/396408673.db2.gz ZLFIXVRNWALDRL-OAHLLOKOSA-N 1 2 320.499 0.980 10 0 DCAELO CCc1nnc(C2CC[NH+]([C@@H](C)C(=O)NC(=O)NC)CC2)[nH]1 ZINC000190670920 396409460 /nfs/dbraw/zinc/40/94/60/396409460.db2.gz AXKDMUJQPDKYKF-VIFPVBQESA-N 1 2 308.386 0.391 10 0 DCAELO CCc1n[nH]c(C2CC[NH+]([C@@H](C)C(=O)NC(=O)NC)CC2)n1 ZINC000190670920 396409462 /nfs/dbraw/zinc/40/94/62/396409462.db2.gz AXKDMUJQPDKYKF-VIFPVBQESA-N 1 2 308.386 0.391 10 0 DCAELO CCc1nc(C2CC[NH+]([C@@H](C)C(=O)NC(=O)NC)CC2)n[nH]1 ZINC000190670920 396409465 /nfs/dbraw/zinc/40/94/65/396409465.db2.gz AXKDMUJQPDKYKF-VIFPVBQESA-N 1 2 308.386 0.391 10 0 DCAELO CCn1cc([C@H]2C[N@@H+]([C@@H](C)CN3CCOCC3)CCO2)cn1 ZINC000190820337 396411552 /nfs/dbraw/zinc/41/15/52/396411552.db2.gz QUVKJTLENPMUMG-GOEBONIOSA-N 1 2 308.426 0.997 10 0 DCAELO CCn1cc([C@H]2C[N@H+]([C@@H](C)CN3CCOCC3)CCO2)cn1 ZINC000190820337 396411555 /nfs/dbraw/zinc/41/15/55/396411555.db2.gz QUVKJTLENPMUMG-GOEBONIOSA-N 1 2 308.426 0.997 10 0 DCAELO CN1CCC[N@H+](CC(=O)NCCOc2cccc(F)c2)CC1=O ZINC000191079746 396415187 /nfs/dbraw/zinc/41/51/87/396415187.db2.gz BNYPCYPWMTYOAE-UHFFFAOYSA-N 1 2 323.368 0.485 10 0 DCAELO CN1CCC[N@@H+](CC(=O)NCCOc2cccc(F)c2)CC1=O ZINC000191079746 396415189 /nfs/dbraw/zinc/41/51/89/396415189.db2.gz BNYPCYPWMTYOAE-UHFFFAOYSA-N 1 2 323.368 0.485 10 0 DCAELO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CC(=O)NC1CCOCC1 ZINC000191201623 396416690 /nfs/dbraw/zinc/41/66/90/396416690.db2.gz YJHWSQAXUZAOQK-ZLDLUXBVSA-N 1 2 310.394 0.555 10 0 DCAELO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CC(=O)NC1CCOCC1 ZINC000191201623 396416693 /nfs/dbraw/zinc/41/66/93/396416693.db2.gz YJHWSQAXUZAOQK-ZLDLUXBVSA-N 1 2 310.394 0.555 10 0 DCAELO Cc1cnn(C[C@H]2C[N@H+](CCN3CCO[C@H](C)C3)CCO2)c1 ZINC000191486658 396420281 /nfs/dbraw/zinc/42/02/81/396420281.db2.gz XHTOEYKDQHNUBR-HZPDHXFCSA-N 1 2 308.426 0.613 10 0 DCAELO Cc1cnn(C[C@H]2C[N@@H+](CCN3CCO[C@H](C)C3)CCO2)c1 ZINC000191486658 396420282 /nfs/dbraw/zinc/42/02/82/396420282.db2.gz XHTOEYKDQHNUBR-HZPDHXFCSA-N 1 2 308.426 0.613 10 0 DCAELO CC(C)Cn1cc[nH+]c1CNS(=O)(=O)[C@H](C)C(=O)N(C)C ZINC000192027600 396428773 /nfs/dbraw/zinc/42/87/73/396428773.db2.gz SSIGTZQGLPASCD-LLVKDONJSA-N 1 2 316.427 0.435 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)c2ncsc2Br)C1 ZINC000581567403 396566347 /nfs/dbraw/zinc/56/63/47/396566347.db2.gz ADLAOOBUOGLCSQ-SSDOTTSWSA-N 1 2 320.212 0.966 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)c2ncsc2Br)C1 ZINC000581567403 396566349 /nfs/dbraw/zinc/56/63/49/396566349.db2.gz ADLAOOBUOGLCSQ-SSDOTTSWSA-N 1 2 320.212 0.966 10 0 DCAELO COC(=O)[C@H](CC(C)C)[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000586762482 396663133 /nfs/dbraw/zinc/66/31/33/396663133.db2.gz ZUOSCVSLZKVWOD-NEPJUHHUSA-N 1 2 306.428 0.588 10 0 DCAELO COC(=O)[C@H](CC(C)C)[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000586762482 396663135 /nfs/dbraw/zinc/66/31/35/396663135.db2.gz ZUOSCVSLZKVWOD-NEPJUHHUSA-N 1 2 306.428 0.588 10 0 DCAELO Cc1nn(C[C@@H](O)C[NH+]2CCOCC2)c(C)c1Br ZINC000305355438 396744406 /nfs/dbraw/zinc/74/44/06/396744406.db2.gz XLUVMTBGHQWZKW-NSHDSACASA-N 1 2 318.215 0.956 10 0 DCAELO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NN1CC(=O)N(C)C1=O ZINC000375464007 396752531 /nfs/dbraw/zinc/75/25/31/396752531.db2.gz HEFYLQKZFJYZLK-GHMZBOCLSA-N 1 2 317.349 0.079 10 0 DCAELO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1c1ccc(F)cc1)NC(=O)NC1CC1 ZINC000611137878 396822146 /nfs/dbraw/zinc/82/21/46/396822146.db2.gz CWHHQLFGFXRLGE-ZIAGYGMSSA-N 1 2 321.352 0.922 10 0 DCAELO O=C(C[N@H+]1C[C@H](O)C[C@@H]1c1ccc(F)cc1)NC(=O)NC1CC1 ZINC000611137878 396822156 /nfs/dbraw/zinc/82/21/56/396822156.db2.gz CWHHQLFGFXRLGE-ZIAGYGMSSA-N 1 2 321.352 0.922 10 0 DCAELO Cc1nc(CN2C[C@@H](F)C[C@H]2C[N@@H+](C)[C@H]2CCOC2=O)no1 ZINC000328629434 396827148 /nfs/dbraw/zinc/82/71/48/396827148.db2.gz IFIDXYPNAMTUEP-SRVKXCTJSA-N 1 2 312.345 0.538 10 0 DCAELO Cc1nc(CN2C[C@@H](F)C[C@H]2C[N@H+](C)[C@H]2CCOC2=O)no1 ZINC000328629434 396827150 /nfs/dbraw/zinc/82/71/50/396827150.db2.gz IFIDXYPNAMTUEP-SRVKXCTJSA-N 1 2 312.345 0.538 10 0 DCAELO Cc1nc([C@@H]2CCCCN2C(=O)[C@H](C)N2CC[NH+](C)CC2)n[nH]1 ZINC000328705606 396831542 /nfs/dbraw/zinc/83/15/42/396831542.db2.gz YTQDTNBCYGLELK-JSGCOSHPSA-N 1 2 320.441 0.803 10 0 DCAELO Cc1cnn(CCN2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)c1 ZINC000592418900 397171085 /nfs/dbraw/zinc/17/10/85/397171085.db2.gz FAKYOBWOFKMLJK-CQSZACIVSA-N 1 2 305.426 0.476 10 0 DCAELO Cc1nnc(CN2CC[NH+]([C@@H](C)C(=O)NCC(C)C)CC2)[nH]1 ZINC000605422320 397664154 /nfs/dbraw/zinc/66/41/54/397664154.db2.gz VLZQZBAKYHYVPD-LBPRGKRZSA-N 1 2 308.430 0.391 10 0 DCAELO CCC(C)(C)[C@H](O)C(=O)N[C@@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC000606444867 397681400 /nfs/dbraw/zinc/68/14/00/397681400.db2.gz BYVZHASKCADMFI-IUODEOHRSA-N 1 2 323.437 0.954 10 0 DCAELO C[C@@H]([NH2+]Cc1cn(C)nn1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000608055612 397714977 /nfs/dbraw/zinc/71/49/77/397714977.db2.gz WXVRTHRTEQOGAQ-LLVKDONJSA-N 1 2 323.422 0.916 10 0 DCAELO COC(=O)CN(CC[NH+]1CCOCC1)C(=O)c1cc(C)[nH]c1C ZINC000609523576 397778865 /nfs/dbraw/zinc/77/88/65/397778865.db2.gz YNMAWMFJIAFKAE-UHFFFAOYSA-N 1 2 323.393 0.579 10 0 DCAELO c1[nH]nc([C@@H]2CCOC2)c1-c1nc([C@@H]2C[NH+]3CCN2CC3)no1 ZINC000329579496 296598186 /nfs/dbraw/zinc/59/81/86/296598186.db2.gz KTZHKOPGBRJAIA-PWSUYJOCSA-N 1 2 316.365 0.636 10 0 DCAELO CCOCCO[C@H](C)C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000246878586 286112529 /nfs/dbraw/zinc/11/25/29/286112529.db2.gz GKQMSRSTEXTENJ-KFWWJZLASA-N 1 2 314.426 0.607 10 0 DCAELO Cc1nnc(CN2CC[NH+](CC(=O)N3CCCCC3)CC2)n1C ZINC000047541337 158003151 /nfs/dbraw/zinc/00/31/51/158003151.db2.gz UYTWVSASBHFTBF-UHFFFAOYSA-N 1 2 320.441 0.254 10 0 DCAELO CN(CCOc1ccccc1F)C(=O)C[N@@H+]1CCNC(=O)CC1 ZINC000065954655 158035016 /nfs/dbraw/zinc/03/50/16/158035016.db2.gz XOCAKWQNQHRXOD-UHFFFAOYSA-N 1 2 323.368 0.485 10 0 DCAELO CN(CCOc1ccccc1F)C(=O)C[N@H+]1CCNC(=O)CC1 ZINC000065954655 158035017 /nfs/dbraw/zinc/03/50/17/158035017.db2.gz XOCAKWQNQHRXOD-UHFFFAOYSA-N 1 2 323.368 0.485 10 0 DCAELO CN(C)C(=O)C[N@H+](C)CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000079871810 158080177 /nfs/dbraw/zinc/08/01/77/158080177.db2.gz GGDXUJZPSCXWJW-SNVBAGLBSA-N 1 2 309.332 0.807 10 0 DCAELO CN(C)C(=O)C[N@@H+](C)CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000079871810 158080181 /nfs/dbraw/zinc/08/01/81/158080181.db2.gz GGDXUJZPSCXWJW-SNVBAGLBSA-N 1 2 309.332 0.807 10 0 DCAELO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)CC2CC2)CC1 ZINC000110817737 158138475 /nfs/dbraw/zinc/13/84/75/158138475.db2.gz XKUACNYBTGDQHD-CYBMUJFWSA-N 1 2 309.410 0.178 10 0 DCAELO CS(=O)(=O)N[C@H]1CC[N@H+](CC(=O)NCC2CCCCC2)C1 ZINC000116892421 158168946 /nfs/dbraw/zinc/16/89/46/158168946.db2.gz ZAEBXRMPJRHTOP-ZDUSSCGKSA-N 1 2 317.455 0.306 10 0 DCAELO CS(=O)(=O)N[C@H]1CC[N@@H+](CC(=O)NCC2CCCCC2)C1 ZINC000116892421 158168948 /nfs/dbraw/zinc/16/89/48/158168948.db2.gz ZAEBXRMPJRHTOP-ZDUSSCGKSA-N 1 2 317.455 0.306 10 0 DCAELO CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116890362 158168956 /nfs/dbraw/zinc/16/89/56/158168956.db2.gz DRANWLHVVHBVOZ-QWRGUYRKSA-N 1 2 305.444 0.303 10 0 DCAELO CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116890362 158168959 /nfs/dbraw/zinc/16/89/59/158168959.db2.gz DRANWLHVVHBVOZ-QWRGUYRKSA-N 1 2 305.444 0.303 10 0 DCAELO Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCO2)c(C)c1 ZINC000118115468 158175808 /nfs/dbraw/zinc/17/58/08/158175808.db2.gz ADOPCYPCGCUWGH-CYBMUJFWSA-N 1 2 305.378 0.689 10 0 DCAELO Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c(C)c1 ZINC000118115468 158175811 /nfs/dbraw/zinc/17/58/11/158175811.db2.gz ADOPCYPCGCUWGH-CYBMUJFWSA-N 1 2 305.378 0.689 10 0 DCAELO CCCCS[C@@H](C)C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000119574842 158189388 /nfs/dbraw/zinc/18/93/88/158189388.db2.gz USOJIMXEGYULAD-QWHCGFSZSA-N 1 2 304.456 0.718 10 0 DCAELO CC(C)S(=O)(=O)CCCN1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000120016536 158192594 /nfs/dbraw/zinc/19/25/94/158192594.db2.gz YWWSTERDMHAUPW-UONOGXRCSA-N 1 2 306.472 0.587 10 0 DCAELO CC(C)S(=O)(=O)CCCN1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000120016536 158192596 /nfs/dbraw/zinc/19/25/96/158192596.db2.gz YWWSTERDMHAUPW-UONOGXRCSA-N 1 2 306.472 0.587 10 0 DCAELO Cc1ccc(CCC(=O)NC[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000120200313 158195045 /nfs/dbraw/zinc/19/50/45/158195045.db2.gz UMFWCKRPTZVPKQ-MRXNPFEDSA-N 1 2 306.406 0.737 10 0 DCAELO CNc1ncc(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)s1 ZINC000122661540 158222660 /nfs/dbraw/zinc/22/26/60/158222660.db2.gz QUJCFROPRSSCEF-WDEREUQCSA-N 1 2 310.423 0.978 10 0 DCAELO O=S(=O)(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccccc1F ZINC000123614922 158232071 /nfs/dbraw/zinc/23/20/71/158232071.db2.gz FVTWYVKRRUGBGX-LBPRGKRZSA-N 1 2 314.382 0.967 10 0 DCAELO O=S(=O)(NC[C@H]1C[N@H+](C2CC2)CCO1)c1ccccc1F ZINC000123614922 158232073 /nfs/dbraw/zinc/23/20/73/158232073.db2.gz FVTWYVKRRUGBGX-LBPRGKRZSA-N 1 2 314.382 0.967 10 0 DCAELO O=C(NCC[NH+]1CCOCC1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000123890054 158235520 /nfs/dbraw/zinc/23/55/20/158235520.db2.gz LKYFIORFAPGGMQ-OAHLLOKOSA-N 1 2 320.393 0.577 10 0 DCAELO C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+]1CCNC(=O)CC1 ZINC000126147445 158262209 /nfs/dbraw/zinc/26/22/09/158262209.db2.gz YWGFFEBNURITMG-KGLIPLIRSA-N 1 2 311.426 0.520 10 0 DCAELO C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+]1CCNC(=O)CC1 ZINC000126147445 158262211 /nfs/dbraw/zinc/26/22/11/158262211.db2.gz YWGFFEBNURITMG-KGLIPLIRSA-N 1 2 311.426 0.520 10 0 DCAELO C[C@@H](Oc1cccnc1)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000127423092 158272729 /nfs/dbraw/zinc/27/27/29/158272729.db2.gz DPJNGNSVPZWQNG-IUODEOHRSA-N 1 2 305.378 0.828 10 0 DCAELO C[C@@H](Oc1cccnc1)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000127423092 158272735 /nfs/dbraw/zinc/27/27/35/158272735.db2.gz DPJNGNSVPZWQNG-IUODEOHRSA-N 1 2 305.378 0.828 10 0 DCAELO C[C@@H](Oc1cccnc1)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000127423568 158273040 /nfs/dbraw/zinc/27/30/40/158273040.db2.gz DPJNGNSVPZWQNG-DOMZBBRYSA-N 1 2 305.378 0.828 10 0 DCAELO C[C@@H](Oc1cccnc1)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000127423568 158273042 /nfs/dbraw/zinc/27/30/42/158273042.db2.gz DPJNGNSVPZWQNG-DOMZBBRYSA-N 1 2 305.378 0.828 10 0 DCAELO CCc1nc(CN2CC[NH+]([C@@H]3CCCCNC3=O)CC2)no1 ZINC000131913574 158306953 /nfs/dbraw/zinc/30/69/53/158306953.db2.gz LPESWBZGNALOPX-GFCCVEGCSA-N 1 2 307.398 0.418 10 0 DCAELO C[C@@H](Cc1ccccc1)C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000132276624 158309493 /nfs/dbraw/zinc/30/94/93/158309493.db2.gz VDTMEVHADGWBHK-HOCLYGCPSA-N 1 2 306.406 0.675 10 0 DCAELO C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)N(C)CCCn1cc[nH+]c1 ZINC000134537249 158326827 /nfs/dbraw/zinc/32/68/27/158326827.db2.gz GDDXMXIRVOLPJB-OLZOCXBDSA-N 1 2 316.427 0.559 10 0 DCAELO CC(C)CNC(=O)C[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135743786 158339934 /nfs/dbraw/zinc/33/99/34/158339934.db2.gz OBGVIHYNKOJLFN-ZDUSSCGKSA-N 1 2 317.455 0.259 10 0 DCAELO CC(C)CNC(=O)C[N@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135743786 158339937 /nfs/dbraw/zinc/33/99/37/158339937.db2.gz OBGVIHYNKOJLFN-ZDUSSCGKSA-N 1 2 317.455 0.259 10 0 DCAELO CC(C)(C)NC(=O)C[N@@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000135757771 158340324 /nfs/dbraw/zinc/34/03/24/158340324.db2.gz PCQXLEBAAVUNBD-GFCCVEGCSA-N 1 2 317.455 0.401 10 0 DCAELO CC(C)(C)NC(=O)C[N@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000135757771 158340326 /nfs/dbraw/zinc/34/03/26/158340326.db2.gz PCQXLEBAAVUNBD-GFCCVEGCSA-N 1 2 317.455 0.401 10 0 DCAELO Cc1nn(C)c(C)c1CCNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000170921398 158378376 /nfs/dbraw/zinc/37/83/76/158378376.db2.gz BBQQOBHLAVOCFY-CYBMUJFWSA-N 1 2 309.414 0.209 10 0 DCAELO Cc1nn(C)c(C)c1CCNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000170921398 158378379 /nfs/dbraw/zinc/37/83/79/158378379.db2.gz BBQQOBHLAVOCFY-CYBMUJFWSA-N 1 2 309.414 0.209 10 0 DCAELO CC(=O)NC1(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CCCCC1 ZINC000172747195 158398824 /nfs/dbraw/zinc/39/88/24/158398824.db2.gz QTFUOGINUARFCC-HNNXBMFYSA-N 1 2 323.437 0.759 10 0 DCAELO C[C@H](NC(=O)N1CCCNC(=O)[C@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000248809555 158698026 /nfs/dbraw/zinc/69/80/26/158698026.db2.gz WZLHOAMKZVESEC-RWMBFGLXSA-N 1 2 312.414 0.016 10 0 DCAELO C[C@H](C(=O)N1CCC[C@H](Cn2ccnn2)C1)[NH+]1CCOCC1 ZINC000328689141 159021511 /nfs/dbraw/zinc/02/15/11/159021511.db2.gz CXDOIAIGPWQWFE-KGLIPLIRSA-N 1 2 307.398 0.237 10 0 DCAELO CCc1nnc([C@H](C)[N@@H+]2CCC[C@](O)(Cn3ccnn3)C2)o1 ZINC000328985442 159050053 /nfs/dbraw/zinc/05/00/53/159050053.db2.gz ZRURFMPGGXGVSE-SMDDNHRTSA-N 1 2 306.370 0.812 10 0 DCAELO CCc1nnc([C@H](C)[N@H+]2CCC[C@](O)(Cn3ccnn3)C2)o1 ZINC000328985442 159050055 /nfs/dbraw/zinc/05/00/55/159050055.db2.gz ZRURFMPGGXGVSE-SMDDNHRTSA-N 1 2 306.370 0.812 10 0 DCAELO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(C(F)(F)F)[nH]n3)[C@H]2C1 ZINC000329155543 159068234 /nfs/dbraw/zinc/06/82/34/159068234.db2.gz BQRUMBCGSAPOEZ-VHSXEESVSA-N 1 2 318.299 0.974 10 0 DCAELO C[N@H+]1CC[C@H]2OCCN(C(=O)c3cc(C(F)(F)F)[nH]n3)[C@H]2C1 ZINC000329155543 159068236 /nfs/dbraw/zinc/06/82/36/159068236.db2.gz BQRUMBCGSAPOEZ-VHSXEESVSA-N 1 2 318.299 0.974 10 0 DCAELO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cc(C(F)(F)F)[nH]n3)[C@@H]2C1 ZINC000329155545 159068466 /nfs/dbraw/zinc/06/84/66/159068466.db2.gz BQRUMBCGSAPOEZ-ZJUUUORDSA-N 1 2 318.299 0.974 10 0 DCAELO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3cc(C(F)(F)F)[nH]n3)[C@@H]2C1 ZINC000329155545 159068467 /nfs/dbraw/zinc/06/84/67/159068467.db2.gz BQRUMBCGSAPOEZ-ZJUUUORDSA-N 1 2 318.299 0.974 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnn4ccncc34)C[C@H]21 ZINC000329156767 159068474 /nfs/dbraw/zinc/06/84/74/159068474.db2.gz CBJSRMBVWSMVLO-KGLIPLIRSA-N 1 2 301.350 0.274 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)c3cnn4ccncc34)C[C@H]21 ZINC000329156767 159068477 /nfs/dbraw/zinc/06/84/77/159068477.db2.gz CBJSRMBVWSMVLO-KGLIPLIRSA-N 1 2 301.350 0.274 10 0 DCAELO COc1ccc(CC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)nc1 ZINC000329169930 159069729 /nfs/dbraw/zinc/06/97/29/159069729.db2.gz JKTMOFGJTUKRNG-HUUCEWRRSA-N 1 2 305.378 0.564 10 0 DCAELO COc1ccc(CC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)nc1 ZINC000329169930 159069730 /nfs/dbraw/zinc/06/97/30/159069730.db2.gz JKTMOFGJTUKRNG-HUUCEWRRSA-N 1 2 305.378 0.564 10 0 DCAELO CC[C@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329190747 159071670 /nfs/dbraw/zinc/07/16/70/159071670.db2.gz REDJIWFCEOGAEG-MELADBBJSA-N 1 2 314.451 0.896 10 0 DCAELO CC[C@H]1CCCCN1C(=O)C[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329190747 159071672 /nfs/dbraw/zinc/07/16/72/159071672.db2.gz REDJIWFCEOGAEG-MELADBBJSA-N 1 2 314.451 0.896 10 0 DCAELO O=C(N1CCC(OCCO)CC1)C1([NH+]2CCOCC2)CCC1 ZINC000329346095 159083773 /nfs/dbraw/zinc/08/37/73/159083773.db2.gz UYZRIOAWHKLHMF-UHFFFAOYSA-N 1 2 312.410 0.241 10 0 DCAELO O=C(C[N@H+]1CCSC[C@@H]1CO)N1CCO[C@H]2CCCC[C@H]21 ZINC000329672736 159111138 /nfs/dbraw/zinc/11/11/38/159111138.db2.gz URTYUYGFKOXIPM-MJBXVCDLSA-N 1 2 314.451 0.566 10 0 DCAELO O=C(C[N@@H+]1CCSC[C@@H]1CO)N1CCO[C@H]2CCCC[C@H]21 ZINC000329672736 159111141 /nfs/dbraw/zinc/11/11/41/159111141.db2.gz URTYUYGFKOXIPM-MJBXVCDLSA-N 1 2 314.451 0.566 10 0 DCAELO CC(=O)N1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000329710110 159113586 /nfs/dbraw/zinc/11/35/86/159113586.db2.gz NMGLDTRHVMOLMH-HZPDHXFCSA-N 1 2 323.437 0.711 10 0 DCAELO CC[C@H]1CN(C(=O)c2cc(C)n(C)n2)C[C@H]1[NH+]1CCOCC1 ZINC000329755583 159117160 /nfs/dbraw/zinc/11/71/60/159117160.db2.gz YCXBGILNEDWYNT-DZGCQCFKSA-N 1 2 306.410 0.911 10 0 DCAELO C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000332778884 159213795 /nfs/dbraw/zinc/21/37/95/159213795.db2.gz NCZNMGNBABCZDB-FMKPAKJESA-N 1 2 312.410 0.552 10 0 DCAELO C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000332778884 159213796 /nfs/dbraw/zinc/21/37/96/159213796.db2.gz NCZNMGNBABCZDB-FMKPAKJESA-N 1 2 312.410 0.552 10 0 DCAELO C[C@@H]1CCCN(C(=O)C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)C1 ZINC000367083969 159311899 /nfs/dbraw/zinc/31/18/99/159311899.db2.gz KCMUQPZIXIHBOV-UKRRQHHQSA-N 1 2 316.405 0.813 10 0 DCAELO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)N2CCC(C)CC2)CC1 ZINC000407991169 160005209 /nfs/dbraw/zinc/00/52/09/160005209.db2.gz SRXZBHBQMOJEOW-CQSZACIVSA-N 1 2 319.471 0.352 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)CCNC(=O)C(C)(C)C)C[C@@H]21 ZINC000408024015 160015174 /nfs/dbraw/zinc/01/51/74/160015174.db2.gz WYQIADXTDKFQQI-STQMWFEESA-N 1 2 311.426 0.470 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)CCNC(=O)C(C)(C)C)C[C@@H]21 ZINC000408024015 160015175 /nfs/dbraw/zinc/01/51/75/160015175.db2.gz WYQIADXTDKFQQI-STQMWFEESA-N 1 2 311.426 0.470 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)NCc2cn3ccccc3[nH+]2)[C@@H](C)CO1 ZINC000408142881 160046551 /nfs/dbraw/zinc/04/65/51/160046551.db2.gz RYEJCPYGFRHOGQ-NWDGAFQWSA-N 1 2 324.406 0.778 10 0 DCAELO C[N@@H+](CC(=O)N1CCCCCC1)C[C@@H]1CCS(=O)(=O)C1 ZINC000408220818 160063225 /nfs/dbraw/zinc/06/32/25/160063225.db2.gz ZTKWFORPMHWFBK-ZDUSSCGKSA-N 1 2 302.440 0.756 10 0 DCAELO C[N@H+](CC(=O)N1CCCCCC1)C[C@@H]1CCS(=O)(=O)C1 ZINC000408220818 160063226 /nfs/dbraw/zinc/06/32/26/160063226.db2.gz ZTKWFORPMHWFBK-ZDUSSCGKSA-N 1 2 302.440 0.756 10 0 DCAELO CCn1nc(C)c(S(=O)(=O)N2CCn3cc[nH+]c3C2)c1C ZINC000408235012 160066456 /nfs/dbraw/zinc/06/64/56/160066456.db2.gz GSEFRTKOGRBGRG-UHFFFAOYSA-N 1 2 309.395 0.921 10 0 DCAELO CNS(=O)(=O)NC1CC[NH+](Cc2nc(C)sc2C)CC1 ZINC000408241221 160067575 /nfs/dbraw/zinc/06/75/75/160067575.db2.gz IHRSAJGGGRRJNN-UHFFFAOYSA-N 1 2 318.468 0.778 10 0 DCAELO Cc1cc[nH+]cc1N1CCN(C(=O)[C@@H]2CCCN2C(N)=O)CC1 ZINC000408261635 160071448 /nfs/dbraw/zinc/07/14/48/160071448.db2.gz RYASREKJMHATFV-ZDUSSCGKSA-N 1 2 317.393 0.582 10 0 DCAELO CN(C)C(=O)C1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000408395315 160099767 /nfs/dbraw/zinc/09/97/67/160099767.db2.gz UDUSHKDNLZKLNR-UHFFFAOYSA-N 1 2 319.409 0.618 10 0 DCAELO CN(C)C(=O)C1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000408395315 160099770 /nfs/dbraw/zinc/09/97/70/160099770.db2.gz UDUSHKDNLZKLNR-UHFFFAOYSA-N 1 2 319.409 0.618 10 0 DCAELO C[C@@H](C[NH+]1CCOCC1)N(C)S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000408395882 160099861 /nfs/dbraw/zinc/09/98/61/160099861.db2.gz RMNNDVGXOIZSCJ-KGLIPLIRSA-N 1 2 319.471 0.616 10 0 DCAELO CCN1CN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1=O ZINC000408473648 160116523 /nfs/dbraw/zinc/11/65/23/160116523.db2.gz FYUCUJRXWQZZHC-CHWSQXEVSA-N 1 2 302.378 0.802 10 0 DCAELO CC(C)Cn1cc[nH+]c1CNC(=O)c1cc(C(N)=O)cn1C ZINC000120417571 286951684 /nfs/dbraw/zinc/95/16/84/286951684.db2.gz GQKCBLCDDPLKMN-UHFFFAOYSA-N 1 2 303.366 0.907 10 0 DCAELO CCCCSCCC(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000128052335 286980693 /nfs/dbraw/zinc/98/06/93/286980693.db2.gz AHRNNMKUQLKQGN-ZDUSSCGKSA-N 1 2 304.456 0.719 10 0 DCAELO CCOCC[NH+]1CCN(S(=O)(=O)[C@H]2CCO[C@H]2C)CC1 ZINC000135610030 287023846 /nfs/dbraw/zinc/02/38/46/287023846.db2.gz OPZVHAQEALSGPB-STQMWFEESA-N 1 2 306.428 0.148 10 0 DCAELO C[C@H](CNC(=O)N[C@@H](CCO)c1ccco1)[NH+]1CCOCC1 ZINC000187122235 287058658 /nfs/dbraw/zinc/05/86/58/287058658.db2.gz MKXXPSWPHDPACH-OLZOCXBDSA-N 1 2 311.382 0.723 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)C[C@@H]2CCCCO2)C[C@@H]1C ZINC000246092262 287076648 /nfs/dbraw/zinc/07/66/48/287076648.db2.gz KBNWQCSLQXOZAA-IHRRRGAJSA-N 1 2 320.455 0.272 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)C[C@@H]2CCCCO2)C[C@@H]1C ZINC000246092262 287076652 /nfs/dbraw/zinc/07/66/52/287076652.db2.gz KBNWQCSLQXOZAA-IHRRRGAJSA-N 1 2 320.455 0.272 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)N2CCC[C@@H](C)C2)C[C@@H]1C ZINC000246204955 287079182 /nfs/dbraw/zinc/07/91/82/287079182.db2.gz QQBNSKASRNYLCL-RDBSUJKOSA-N 1 2 319.471 0.350 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)N2CCC[C@@H](C)C2)C[C@@H]1C ZINC000246204955 287079184 /nfs/dbraw/zinc/07/91/84/287079184.db2.gz QQBNSKASRNYLCL-RDBSUJKOSA-N 1 2 319.471 0.350 10 0 DCAELO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CCN(CCO)[C@@H](C)C1 ZINC000249576272 287114434 /nfs/dbraw/zinc/11/44/34/287114434.db2.gz PPWNRGPDKJCYRY-FZKCQIBNSA-N 1 2 311.470 0.878 10 0 DCAELO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CCN(CCO)[C@@H](C)C1 ZINC000249576272 287114435 /nfs/dbraw/zinc/11/44/35/287114435.db2.gz PPWNRGPDKJCYRY-FZKCQIBNSA-N 1 2 311.470 0.878 10 0 DCAELO CC[C@@H]1CN(Cc2cc(=O)n3[nH]ccc3n2)CC[N@@H+]1CCOC ZINC000108867454 287200395 /nfs/dbraw/zinc/20/03/95/287200395.db2.gz RIWXXDUGBQBNAW-CQSZACIVSA-N 1 2 319.409 0.565 10 0 DCAELO CC[C@@H]1CN(Cc2cc(=O)n3[nH]ccc3n2)CC[N@H+]1CCOC ZINC000108867454 287200397 /nfs/dbraw/zinc/20/03/97/287200397.db2.gz RIWXXDUGBQBNAW-CQSZACIVSA-N 1 2 319.409 0.565 10 0 DCAELO Cc1nc(N2CCN(C(=O)N[C@H]3CCO[C@H]3C)CC2)cc[nH+]1 ZINC000274176789 415331417 /nfs/dbraw/zinc/33/14/17/415331417.db2.gz JCCWKIDZZYDUBI-AAEUAGOBSA-N 1 2 305.382 0.794 10 0 DCAELO COc1cc(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)nn1C ZINC000274708511 415362111 /nfs/dbraw/zinc/36/21/11/415362111.db2.gz SQUWAXCBGLDZCP-DGCLKSJQSA-N 1 2 308.382 0.221 10 0 DCAELO COC(=O)CC1(CS(=O)(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000083988082 415493611 /nfs/dbraw/zinc/49/36/11/415493611.db2.gz SKGBXRDXPMRORM-UHFFFAOYSA-N 1 2 316.423 0.440 10 0 DCAELO Cc1cc(C(=O)N(CC2CC2)C[C@H]2C[N@H+](C)CCO2)n(C)n1 ZINC000276252296 415459292 /nfs/dbraw/zinc/45/92/92/415459292.db2.gz FVQXTYQMNSUHHV-CQSZACIVSA-N 1 2 306.410 0.911 10 0 DCAELO Cc1cc(C(=O)N(CC2CC2)C[C@H]2C[N@@H+](C)CCO2)n(C)n1 ZINC000276252296 415459297 /nfs/dbraw/zinc/45/92/97/415459297.db2.gz FVQXTYQMNSUHHV-CQSZACIVSA-N 1 2 306.410 0.911 10 0 DCAELO CC(C)N1C[C@H](NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)CC1=O ZINC000332754375 415464879 /nfs/dbraw/zinc/46/48/79/415464879.db2.gz JPEXFKQLDIUSCY-MGPQQGTHSA-N 1 2 324.425 0.110 10 0 DCAELO CC(C)N1C[C@H](NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)CC1=O ZINC000332754375 415464885 /nfs/dbraw/zinc/46/48/85/415464885.db2.gz JPEXFKQLDIUSCY-MGPQQGTHSA-N 1 2 324.425 0.110 10 0 DCAELO CC(=O)N1CC[C@]2(O)CCN(c3cc(CO)[nH+]cc3F)C[C@@H]2C1 ZINC000095356208 415551704 /nfs/dbraw/zinc/55/17/04/415551704.db2.gz SLXAKEXISWEMCS-LRDDRELGSA-N 1 2 323.368 0.523 10 0 DCAELO Cc1cc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCOCC2)ccc1F ZINC000103322900 415617529 /nfs/dbraw/zinc/61/75/29/415617529.db2.gz JSURBLWESNMYHK-GFCCVEGCSA-N 1 2 323.368 0.910 10 0 DCAELO CN(C)c1ncccc1CNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000104783081 415625317 /nfs/dbraw/zinc/62/53/17/415625317.db2.gz BLZYLCQQERNZIG-ZDUSSCGKSA-N 1 2 307.398 0.277 10 0 DCAELO CN(C)c1ncccc1CNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000104783081 415625325 /nfs/dbraw/zinc/62/53/25/415625325.db2.gz BLZYLCQQERNZIG-ZDUSSCGKSA-N 1 2 307.398 0.277 10 0 DCAELO C[C@@H](C[NH+]1CCOCC1)N(C)S(=O)(=O)[C@H]1CCO[C@H](C)C1 ZINC000333443872 415651597 /nfs/dbraw/zinc/65/15/97/415651597.db2.gz QEQHBJCPTRJNJS-MJBXVCDLSA-N 1 2 320.455 0.536 10 0 DCAELO C[C@H]1C[C@H](NC(=O)N[C@H]2COC[C@H]2n2ccnn2)c2[nH+]ccn21 ZINC000333620806 415699119 /nfs/dbraw/zinc/69/91/19/415699119.db2.gz UEMDAQOKOFOIBP-FIQHERPVSA-N 1 2 317.353 0.420 10 0 DCAELO COCCOc1cccc(CC(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000121392858 415805080 /nfs/dbraw/zinc/80/50/80/415805080.db2.gz SDRLBVFSNGMASS-INIZCTEOSA-N 1 2 322.405 0.701 10 0 DCAELO COCCOc1cccc(CC(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000121392858 415805087 /nfs/dbraw/zinc/80/50/87/415805087.db2.gz SDRLBVFSNGMASS-INIZCTEOSA-N 1 2 322.405 0.701 10 0 DCAELO C[C@@H]1CCN(C(=O)NC[C@@H]2CN(C)CCO2)C[C@H]1n1cc[nH+]c1 ZINC000153283966 415978432 /nfs/dbraw/zinc/97/84/32/415978432.db2.gz LRBQRXNNDDUQCB-RBSFLKMASA-N 1 2 321.425 0.806 10 0 DCAELO Cn1cc(N2CCC[C@@H]([N@H+](C)CC(=O)NC(C)(C)C)C2=O)cn1 ZINC000158578064 415998916 /nfs/dbraw/zinc/99/89/16/415998916.db2.gz OBGDJIXFMIRUAO-CYBMUJFWSA-N 1 2 321.425 0.762 10 0 DCAELO Cn1cc(N2CCC[C@@H]([N@@H+](C)CC(=O)NC(C)(C)C)C2=O)cn1 ZINC000158578064 415998920 /nfs/dbraw/zinc/99/89/20/415998920.db2.gz OBGDJIXFMIRUAO-CYBMUJFWSA-N 1 2 321.425 0.762 10 0 DCAELO O=S(=O)(CC1CCOCC1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000173173742 416054213 /nfs/dbraw/zinc/05/42/13/416054213.db2.gz LDQDHQNRMDREHX-AWEZNQCLSA-N 1 2 318.439 0.196 10 0 DCAELO O=S(=O)(CC1CCOCC1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000173173742 416054216 /nfs/dbraw/zinc/05/42/16/416054216.db2.gz LDQDHQNRMDREHX-AWEZNQCLSA-N 1 2 318.439 0.196 10 0 DCAELO Cc1nc(SCC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)n[nH]1 ZINC000173291866 416056355 /nfs/dbraw/zinc/05/63/55/416056355.db2.gz WVVZXLXXYKDVCL-VHSXEESVSA-N 1 2 313.427 0.119 10 0 DCAELO Cc1nc(SCC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)n[nH]1 ZINC000173291866 416056360 /nfs/dbraw/zinc/05/63/60/416056360.db2.gz WVVZXLXXYKDVCL-VHSXEESVSA-N 1 2 313.427 0.119 10 0 DCAELO Cc1nnc(SCC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)[nH]1 ZINC000173291866 416056364 /nfs/dbraw/zinc/05/63/64/416056364.db2.gz WVVZXLXXYKDVCL-VHSXEESVSA-N 1 2 313.427 0.119 10 0 DCAELO Cc1nnc(SCC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)[nH]1 ZINC000173291866 416056367 /nfs/dbraw/zinc/05/63/67/416056367.db2.gz WVVZXLXXYKDVCL-VHSXEESVSA-N 1 2 313.427 0.119 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@H](C)CO)nc[nH+]1 ZINC000173418336 416059305 /nfs/dbraw/zinc/05/93/05/416059305.db2.gz XRIBONYLBXURSZ-GHMZBOCLSA-N 1 2 308.386 0.167 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@H](C)CO)[nH+]cn1 ZINC000173418336 416059308 /nfs/dbraw/zinc/05/93/08/416059308.db2.gz XRIBONYLBXURSZ-GHMZBOCLSA-N 1 2 308.386 0.167 10 0 DCAELO NC(=O)c1cccc(NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000173786396 416065076 /nfs/dbraw/zinc/06/50/76/416065076.db2.gz DCHPSLZETFNFMD-AWEZNQCLSA-N 1 2 318.377 0.724 10 0 DCAELO C[C@H](C(=O)N1CCCC1)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000174790323 416087669 /nfs/dbraw/zinc/08/76/69/416087669.db2.gz JEXVZDBAHCDGSZ-CABCVRRESA-N 1 2 322.453 0.284 10 0 DCAELO C[C@H](C(=O)N1CCCC1)[NH+]1CCN([C@H]2CCCCNC2=O)CC1 ZINC000174790323 416087670 /nfs/dbraw/zinc/08/76/70/416087670.db2.gz JEXVZDBAHCDGSZ-CABCVRRESA-N 1 2 322.453 0.284 10 0 DCAELO COC(=O)Cn1ncc2c1nc[nH+]c2NCc1cnn(C)c1C ZINC000301832093 416094725 /nfs/dbraw/zinc/09/47/25/416094725.db2.gz IYHNKASHHHJYCB-UHFFFAOYSA-N 1 2 315.337 0.653 10 0 DCAELO Cc1[nH+]c2ccccc2n1CCC(=O)N1CCOC[C@@H]1C(N)=O ZINC000357588124 416100846 /nfs/dbraw/zinc/10/08/46/416100846.db2.gz XTCDXLJBKCGBNT-CQSZACIVSA-N 1 2 316.361 0.448 10 0 DCAELO O=S(=O)(CC1CCOCC1)NC[C@H]1CCn2cc[nH+]c2C1 ZINC000328614587 416123221 /nfs/dbraw/zinc/12/32/21/416123221.db2.gz ALBVFQDPLJKOCK-ZDUSSCGKSA-N 1 2 313.423 0.792 10 0 DCAELO CC[C@H](C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1)N1CCCC1=O ZINC000328874474 416135541 /nfs/dbraw/zinc/13/55/41/416135541.db2.gz JLISTNGKJJABKS-MCIONIFRSA-N 1 2 309.410 0.319 10 0 DCAELO CC[C@H](C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1)N1CCCC1=O ZINC000328874474 416135544 /nfs/dbraw/zinc/13/55/44/416135544.db2.gz JLISTNGKJJABKS-MCIONIFRSA-N 1 2 309.410 0.319 10 0 DCAELO CC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000328856933 416136477 /nfs/dbraw/zinc/13/64/77/416136477.db2.gz DBVKEACYQJVDGB-RBSFLKMASA-N 1 2 309.410 0.319 10 0 DCAELO CC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000328856933 416136479 /nfs/dbraw/zinc/13/64/79/416136479.db2.gz DBVKEACYQJVDGB-RBSFLKMASA-N 1 2 309.410 0.319 10 0 DCAELO CC[C@H]1CN(C(=O)[C@@H](C)CS(C)(=O)=O)CC[N@@H+]1CCOC ZINC000176860288 416137007 /nfs/dbraw/zinc/13/70/07/416137007.db2.gz IATPAOCHWMNVRL-STQMWFEESA-N 1 2 320.455 0.236 10 0 DCAELO CC[C@H]1CN(C(=O)[C@@H](C)CS(C)(=O)=O)CC[N@H+]1CCOC ZINC000176860288 416137011 /nfs/dbraw/zinc/13/70/11/416137011.db2.gz IATPAOCHWMNVRL-STQMWFEESA-N 1 2 320.455 0.236 10 0 DCAELO CCC(=O)N1CCC[C@H](C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)C1 ZINC000328902155 416138159 /nfs/dbraw/zinc/13/81/59/416138159.db2.gz GGXHQUAXBIVESS-ZNMIVQPWSA-N 1 2 323.437 0.567 10 0 DCAELO CCC(=O)N1CCC[C@H](C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)C1 ZINC000328902155 416138162 /nfs/dbraw/zinc/13/81/62/416138162.db2.gz GGXHQUAXBIVESS-ZNMIVQPWSA-N 1 2 323.437 0.567 10 0 DCAELO O=C(NC[C@H]1C[NH+]2CCN1CC2)C(=O)Nc1ccc(F)c(F)c1 ZINC000178957420 416180080 /nfs/dbraw/zinc/18/00/80/416180080.db2.gz WVWVITHVVNZBOC-NSHDSACASA-N 1 2 324.331 0.019 10 0 DCAELO C[C@@H](O)C[NH+]1CCN(C(=O)c2c(O)cc(F)cc2F)CC1 ZINC000186820056 416259049 /nfs/dbraw/zinc/25/90/49/416259049.db2.gz HWLWSAIJTOPVOM-SECBINFHSA-N 1 2 300.305 0.809 10 0 DCAELO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2F)CC[N@@H+]1CCO ZINC000190035834 416273204 /nfs/dbraw/zinc/27/32/04/416273204.db2.gz VLQVGRVECWRHBO-LLVKDONJSA-N 1 2 309.341 0.289 10 0 DCAELO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2F)CC[N@H+]1CCO ZINC000190035834 416273207 /nfs/dbraw/zinc/27/32/07/416273207.db2.gz VLQVGRVECWRHBO-LLVKDONJSA-N 1 2 309.341 0.289 10 0 DCAELO Cc1ccc(F)c(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1 ZINC000190051756 416273791 /nfs/dbraw/zinc/27/37/91/416273791.db2.gz IPBSYHSXTALRNV-LBPRGKRZSA-N 1 2 323.368 0.598 10 0 DCAELO Cc1ccc(F)c(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1 ZINC000190051756 416273793 /nfs/dbraw/zinc/27/37/93/416273793.db2.gz IPBSYHSXTALRNV-LBPRGKRZSA-N 1 2 323.368 0.598 10 0 DCAELO COC(=O)[C@H](C1CC1)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000359587685 416351969 /nfs/dbraw/zinc/35/19/69/416351969.db2.gz FUZCROLFFWTEHF-FZMZJTMJSA-N 1 2 309.410 0.223 10 0 DCAELO CCCNC(=O)C[C@H](C(N)=O)[N@H+](CCC)Cc1ccnc(C)n1 ZINC000361316378 416429511 /nfs/dbraw/zinc/42/95/11/416429511.db2.gz PPHZSSASARJGHW-CQSZACIVSA-N 1 2 321.425 0.767 10 0 DCAELO CCCNC(=O)C[C@H](C(N)=O)[N@@H+](CCC)Cc1ccnc(C)n1 ZINC000361316378 416429512 /nfs/dbraw/zinc/42/95/12/416429512.db2.gz PPHZSSASARJGHW-CQSZACIVSA-N 1 2 321.425 0.767 10 0 DCAELO CC(=O)N[C@@H](C(=O)NCc1c[nH+]c(C)nc1N)C1CCCC1 ZINC000584193933 416508048 /nfs/dbraw/zinc/50/80/48/416508048.db2.gz MLOYZYRFUMVGOS-CYBMUJFWSA-N 1 2 305.382 0.678 10 0 DCAELO Cc1nc(N2CCN(C(=O)[C@@H]3CCC[C@@H](O)C3)CC2)cc[nH+]1 ZINC000439724497 416621142 /nfs/dbraw/zinc/62/11/42/416621142.db2.gz ZEFFCQGCRSURSR-ZIAGYGMSSA-N 1 2 304.394 0.985 10 0 DCAELO CCn1nccc1NC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000446749153 416945192 /nfs/dbraw/zinc/94/51/92/416945192.db2.gz XVEMYLRPZOMLJN-UHFFFAOYSA-N 1 2 316.365 0.971 10 0 DCAELO COC(=O)[C@]1(C)CN(C(=O)[C@H](C)[NH+]2CCN(C)CC2)C[C@H]1C ZINC000374465043 416984122 /nfs/dbraw/zinc/98/41/22/416984122.db2.gz BCBDZMNVMHWSRI-DVOMOZLQSA-N 1 2 311.426 0.280 10 0 DCAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000375938700 417013581 /nfs/dbraw/zinc/01/35/81/417013581.db2.gz UTIXAFFUWDVXGT-IIAWOOMASA-N 1 2 323.437 0.661 10 0 DCAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000375938700 417013588 /nfs/dbraw/zinc/01/35/88/417013588.db2.gz UTIXAFFUWDVXGT-IIAWOOMASA-N 1 2 323.437 0.661 10 0 DCAELO Nc1cccc([C@H]2C[NH2+]CCN2S(=O)(=O)c2ccccc2)n1 ZINC000616639422 417088253 /nfs/dbraw/zinc/08/82/53/417088253.db2.gz MOBFEZUGARRVBG-CQSZACIVSA-N 1 2 318.402 0.999 10 0 DCAELO C[N@@H+]1CCO[C@H](CS(=O)(=O)N2CC[C@@H](O)CC23CCC3)C1 ZINC000632476133 417114426 /nfs/dbraw/zinc/11/44/26/417114426.db2.gz TWRYJJJVTYVDLH-OLZOCXBDSA-N 1 2 318.439 0.026 10 0 DCAELO C[N@H+]1CCO[C@H](CS(=O)(=O)N2CC[C@@H](O)CC23CCC3)C1 ZINC000632476133 417114432 /nfs/dbraw/zinc/11/44/32/417114432.db2.gz TWRYJJJVTYVDLH-OLZOCXBDSA-N 1 2 318.439 0.026 10 0 DCAELO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000525808621 417153903 /nfs/dbraw/zinc/15/39/03/417153903.db2.gz RNWZCDQZZSRZKJ-XJKSGUPXSA-N 1 2 324.425 0.019 10 0 DCAELO CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(CCS(=O)(=O)N(C)C)C1 ZINC000643855534 417400341 /nfs/dbraw/zinc/40/03/41/417400341.db2.gz DBMMLMWDZHUAHF-MNOVXSKESA-N 1 2 302.400 0.063 10 0 DCAELO CC(=O)N1CCC[C@H]1C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000633642643 417469916 /nfs/dbraw/zinc/46/99/16/417469916.db2.gz PVLAOVJTZLDUCI-INIZCTEOSA-N 1 2 323.437 0.568 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCO[C@H](CO)C1)C2 ZINC000530288611 417562291 /nfs/dbraw/zinc/56/22/91/417562291.db2.gz SPYOKNRWTBNULI-NEPJUHHUSA-N 1 2 307.394 0.858 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCO[C@H](CO)C1)CC2 ZINC000530288611 417562296 /nfs/dbraw/zinc/56/22/96/417562296.db2.gz SPYOKNRWTBNULI-NEPJUHHUSA-N 1 2 307.394 0.858 10 0 DCAELO CO[C@H]1CC[C@@H](NC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000530358858 417572093 /nfs/dbraw/zinc/57/20/93/417572093.db2.gz QZWJMMVYYIZMPP-OLZOCXBDSA-N 1 2 307.398 0.804 10 0 DCAELO COC1(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)CCC1 ZINC000628575022 417655971 /nfs/dbraw/zinc/65/59/71/417655971.db2.gz AAOOXORWMLTRLN-HNNXBMFYSA-N 1 2 312.410 0.288 10 0 DCAELO COC1(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)CCC1 ZINC000628575022 417655976 /nfs/dbraw/zinc/65/59/76/417655976.db2.gz AAOOXORWMLTRLN-HNNXBMFYSA-N 1 2 312.410 0.288 10 0 DCAELO NC(=O)[C@@H]1CN(c2nc[nH+]c(N)c2Cl)C[C@H]1C(F)(F)F ZINC000299745485 229387323 /nfs/dbraw/zinc/38/73/23/229387323.db2.gz ZMOGWGRBOROWMJ-RFZPGFLSSA-N 1 2 309.679 0.812 10 0 DCAELO NC(=O)[C@@H]1CN(c2[nH+]cnc(N)c2Cl)C[C@H]1C(F)(F)F ZINC000299745485 229387327 /nfs/dbraw/zinc/38/73/27/229387327.db2.gz ZMOGWGRBOROWMJ-RFZPGFLSSA-N 1 2 309.679 0.812 10 0 DCAELO Cc1nc(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)c(=O)[nH]c1C ZINC000179155480 261111996 /nfs/dbraw/zinc/11/19/96/261111996.db2.gz UGXUAUSLJCFKFE-UHFFFAOYSA-N 1 2 308.382 0.227 10 0 DCAELO Cc1nc(C(=O)NCC[N@H+]2CCOC(C)(C)C2)c(=O)[nH]c1C ZINC000179155480 261111998 /nfs/dbraw/zinc/11/19/98/261111998.db2.gz UGXUAUSLJCFKFE-UHFFFAOYSA-N 1 2 308.382 0.227 10 0 DCAELO CC(=O)c1cccc(OC[C@H](O)C[N@@H+]2CCO[C@H]([C@H](C)O)C2)c1 ZINC000412070149 262180373 /nfs/dbraw/zinc/18/03/73/262180373.db2.gz JPJZBCRURZNABV-LXZKKBNFSA-N 1 2 323.389 0.711 10 0 DCAELO CC(=O)c1cccc(OC[C@H](O)C[N@H+]2CCO[C@H]([C@H](C)O)C2)c1 ZINC000412070149 262180374 /nfs/dbraw/zinc/18/03/74/262180374.db2.gz JPJZBCRURZNABV-LXZKKBNFSA-N 1 2 323.389 0.711 10 0 DCAELO CC(=O)c1ncc(C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)s1 ZINC000412378576 262187730 /nfs/dbraw/zinc/18/77/30/262187730.db2.gz UOTUFBMGDVVERC-NSHDSACASA-N 1 2 311.407 0.922 10 0 DCAELO CC(=O)c1ncc(C(=O)NC[C@@H]2CCCC[N@H+]2CCO)s1 ZINC000412378576 262187731 /nfs/dbraw/zinc/18/77/31/262187731.db2.gz UOTUFBMGDVVERC-NSHDSACASA-N 1 2 311.407 0.922 10 0 DCAELO CCS(=O)(=O)N(C)C1CC[NH+]([C@H](C(=O)OC)C2CC2)CC1 ZINC000359601943 271129836 /nfs/dbraw/zinc/12/98/36/271129836.db2.gz UFNMLHYNQFYRRL-ZDUSSCGKSA-N 1 2 318.439 0.684 10 0 DCAELO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](S(C)(=O)=O)C1 ZINC000359613164 271133215 /nfs/dbraw/zinc/13/32/15/271133215.db2.gz ZCJYLHIIVKSGCW-QWHCGFSZSA-N 1 2 302.440 0.896 10 0 DCAELO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](S(C)(=O)=O)C1 ZINC000359613164 271133219 /nfs/dbraw/zinc/13/32/19/271133219.db2.gz ZCJYLHIIVKSGCW-QWHCGFSZSA-N 1 2 302.440 0.896 10 0 DCAELO COC(=O)[C@@](C)(O)C[N@@H+]1CCN(C)[C@@H](c2nc(C3CC3)no2)C1 ZINC000517054091 272458077 /nfs/dbraw/zinc/45/80/77/272458077.db2.gz SFUSVWOPPNEWRQ-ABAIWWIYSA-N 1 2 324.381 0.160 10 0 DCAELO COC(=O)[C@@](C)(O)C[N@H+]1CCN(C)[C@@H](c2nc(C3CC3)no2)C1 ZINC000517054091 272458079 /nfs/dbraw/zinc/45/80/79/272458079.db2.gz SFUSVWOPPNEWRQ-ABAIWWIYSA-N 1 2 324.381 0.160 10 0 DCAELO CC(=O)NCC(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000347450891 278092120 /nfs/dbraw/zinc/09/21/20/278092120.db2.gz PCXNPEFHZIZVMZ-DOTOQJQBSA-N 1 2 319.405 0.653 10 0 DCAELO CC(=O)NCC(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000347450891 278092121 /nfs/dbraw/zinc/09/21/21/278092121.db2.gz PCXNPEFHZIZVMZ-DOTOQJQBSA-N 1 2 319.405 0.653 10 0 DCAELO C[C@@H]1C[N@H+](Cc2cc(=O)n3[nH]ccc3n2)C[C@H]1N1CCOCC1 ZINC000371923135 288208974 /nfs/dbraw/zinc/20/89/74/288208974.db2.gz CGVJJUDUZYUURO-TZMCWYRMSA-N 1 2 317.393 0.175 10 0 DCAELO C[C@@H]1C[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)C[C@H]1N1CCOCC1 ZINC000371923135 288208975 /nfs/dbraw/zinc/20/89/75/288208975.db2.gz CGVJJUDUZYUURO-TZMCWYRMSA-N 1 2 317.393 0.175 10 0 DCAELO Cc1cc(CCNC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)on1 ZINC000553926424 288310905 /nfs/dbraw/zinc/31/09/05/288310905.db2.gz PXHWNWVZXPKZLI-STQMWFEESA-N 1 2 310.398 0.934 10 0 DCAELO Cc1ncc(CNC(=O)C(=O)NCCCCn2cc[nH+]c2)s1 ZINC000556654335 288380884 /nfs/dbraw/zinc/38/08/84/288380884.db2.gz GTYCIAACFDLURJ-UHFFFAOYSA-N 1 2 321.406 0.861 10 0 DCAELO NC(=O)[C@@H]1C[C@@H](F)C[N@@H+]1Cc1ccccc1N1CCOCC1 ZINC000284781193 303312586 /nfs/dbraw/zinc/31/25/86/303312586.db2.gz YEDRDXOLBDHTBW-HIFRSBDPSA-N 1 2 307.369 0.921 10 0 DCAELO NC(=O)[C@@H]1C[C@@H](F)C[N@H+]1Cc1ccccc1N1CCOCC1 ZINC000284781193 303312587 /nfs/dbraw/zinc/31/25/87/303312587.db2.gz YEDRDXOLBDHTBW-HIFRSBDPSA-N 1 2 307.369 0.921 10 0 DCAELO COC(=O)c1cnc(N2CCCC[C@H]2C[NH+]2CCOCC2)nc1 ZINC000584305374 332235159 /nfs/dbraw/zinc/23/51/59/332235159.db2.gz OASZAJNBWPYYBL-AWEZNQCLSA-N 1 2 320.393 0.954 10 0 DCAELO CO[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000570220250 332726420 /nfs/dbraw/zinc/72/64/20/332726420.db2.gz LKBJONJXUGGBAD-JQWIXIFHSA-N 1 2 302.334 0.957 10 0 DCAELO Cc1cnn(Cc2cc(C(=O)NCCc3[nH]cc[nH+]3)no2)c1 ZINC000178902276 341970293 /nfs/dbraw/zinc/97/02/93/341970293.db2.gz QGORYMVMNIFRCF-UHFFFAOYSA-N 1 2 300.322 0.923 10 0 DCAELO COC(=O)[C@](C)(O)CNC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000360183216 518016821 /nfs/dbraw/zinc/01/68/21/518016821.db2.gz ZAVNUMXLJFNISN-QLJPJBMISA-N 1 2 323.393 0.678 10 0 DCAELO COC(=O)[C@](C)(O)CNC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000360183216 518016836 /nfs/dbraw/zinc/01/68/36/518016836.db2.gz ZAVNUMXLJFNISN-QLJPJBMISA-N 1 2 323.393 0.678 10 0 DCAELO CCN(CC)c1ccc(CNC(=O)N2CC(NC(C)=O)C2)c[nH+]1 ZINC000189793612 520898123 /nfs/dbraw/zinc/89/81/23/520898123.db2.gz BGJSXLSEWGCJTB-UHFFFAOYSA-N 1 2 319.409 0.958 10 0 DCAELO CN(CC(F)(F)F)C(=O)C[NH+]1CCC(n2cncn2)CC1 ZINC000156628595 522561787 /nfs/dbraw/zinc/56/17/87/522561787.db2.gz JXJZILWUTMPTNW-UHFFFAOYSA-N 1 2 305.304 0.936 10 0 DCAELO COC(=O)CNC(=O)c1ccc(NCc2[nH+]ccn2C)cc1 ZINC000162645972 523204606 /nfs/dbraw/zinc/20/46/06/523204606.db2.gz GKNJJPZQDMOUMZ-UHFFFAOYSA-N 1 2 302.334 0.935 10 0 DCAELO CCn1cc([C@H]2C[N@H+](CCC(=O)NC(=O)NC)CCO2)cn1 ZINC000190738986 523482037 /nfs/dbraw/zinc/48/20/37/523482037.db2.gz SUUSBDCXDDUKNY-GFCCVEGCSA-N 1 2 309.370 0.122 10 0 DCAELO CCn1cc([C@H]2C[N@@H+](CCC(=O)NC(=O)NC)CCO2)cn1 ZINC000190738986 523482042 /nfs/dbraw/zinc/48/20/42/523482042.db2.gz SUUSBDCXDDUKNY-GFCCVEGCSA-N 1 2 309.370 0.122 10 0 DCAELO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CC(=O)NCc1cccnc1 ZINC000191167610 523812617 /nfs/dbraw/zinc/81/26/17/523812617.db2.gz RXSFSLLTNZOVFM-YCPHGPKFSA-N 1 2 317.389 0.971 10 0 DCAELO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CC(=O)NCc1cccnc1 ZINC000191167610 523812625 /nfs/dbraw/zinc/81/26/25/523812625.db2.gz RXSFSLLTNZOVFM-YCPHGPKFSA-N 1 2 317.389 0.971 10 0 DCAELO C[C@@H](Cc1cccc(F)c1)C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000132289363 524905770 /nfs/dbraw/zinc/90/57/70/524905770.db2.gz CTEIOFMCOBQCHI-BBRMVZONSA-N 1 2 324.396 0.814 10 0 DCAELO C[C@H](c1cccnc1)[N@H+](C)CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000245545486 526132602 /nfs/dbraw/zinc/13/26/02/526132602.db2.gz VNDNWSWYVFZGGD-TZMCWYRMSA-N 1 2 304.394 0.798 10 0 DCAELO C[C@H](c1cccnc1)[N@@H+](C)CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000245545486 526132608 /nfs/dbraw/zinc/13/26/08/526132608.db2.gz VNDNWSWYVFZGGD-TZMCWYRMSA-N 1 2 304.394 0.798 10 0 DCAELO Cc1nc(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)c(=O)[nH]c1C ZINC000156535512 526645008 /nfs/dbraw/zinc/64/50/08/526645008.db2.gz NTCVXCYSWNJKRO-GXFFZTMASA-N 1 2 320.393 0.179 10 0 DCAELO O=C(C[NH+]1CCN(Cc2cncnc2)CC1)N1CCCCC1 ZINC000121839943 545750477 /nfs/dbraw/zinc/75/04/77/545750477.db2.gz UFNAJRZSPXJHJR-UHFFFAOYSA-N 1 2 303.410 0.607 10 0 DCAELO COCCCNC(=O)[C@H](C)[NH+]1CCN(Cc2cncnc2)CC1 ZINC000131487723 545791677 /nfs/dbraw/zinc/79/16/77/545791677.db2.gz FTSSAZNTQJFBHC-AWEZNQCLSA-N 1 2 321.425 0.135 10 0 DCAELO Cc1cc(N2CC[NH+](Cc3cncnc3)CC2)n2ncnc2n1 ZINC000133894789 545800192 /nfs/dbraw/zinc/80/01/92/545800192.db2.gz SJBCCCOUGPZRGR-UHFFFAOYSA-N 1 2 310.365 0.545 10 0 DCAELO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1cnc(N(C)C)nc1 ZINC000154432705 545837558 /nfs/dbraw/zinc/83/75/58/545837558.db2.gz XZYSCKQNEHHWCK-GFCCVEGCSA-N 1 2 321.429 0.300 10 0 DCAELO CCc1cc(NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)n(C)n1 ZINC000173903535 545884811 /nfs/dbraw/zinc/88/48/11/545884811.db2.gz YXAHPHWLJUWBRV-ZDUSSCGKSA-N 1 2 307.398 0.921 10 0 DCAELO C[C@@H]1OCC[C@@H]1NC(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000333137273 546072411 /nfs/dbraw/zinc/07/24/11/546072411.db2.gz JPKXHWBQHFXNEM-QEJZJMRPSA-N 1 2 311.426 0.916 10 0 DCAELO C[C@@H]1OCC[C@@H]1NC(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000333137273 546072415 /nfs/dbraw/zinc/07/24/15/546072415.db2.gz JPKXHWBQHFXNEM-QEJZJMRPSA-N 1 2 311.426 0.916 10 0 DCAELO CC(=O)c1cccc(S(=O)(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000405212350 546227608 /nfs/dbraw/zinc/22/76/08/546227608.db2.gz DJDGHMCBYAXRIS-UONOGXRCSA-N 1 2 324.402 0.329 10 0 DCAELO CC(=O)c1cccc(S(=O)(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000405212350 546227613 /nfs/dbraw/zinc/22/76/13/546227613.db2.gz DJDGHMCBYAXRIS-UONOGXRCSA-N 1 2 324.402 0.329 10 0 DCAELO O[C@]1(Cn2ccnn2)CC[N@H+](Cc2nc(C3CCCC3)no2)C1 ZINC000671553145 547248543 /nfs/dbraw/zinc/24/85/43/547248543.db2.gz JRDWLMRXHFJDKP-OAHLLOKOSA-N 1 2 318.381 0.956 10 0 DCAELO O[C@]1(Cn2ccnn2)CC[N@@H+](Cc2nc(C3CCCC3)no2)C1 ZINC000671553145 547248548 /nfs/dbraw/zinc/24/85/48/547248548.db2.gz JRDWLMRXHFJDKP-OAHLLOKOSA-N 1 2 318.381 0.956 10 0 DCAELO CCNS(=O)(=O)CCNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000738947281 661158078 /nfs/dbraw/zinc/15/80/78/661158078.db2.gz ACQCGYDUJHDTMR-UHFFFAOYSA-N 1 2 311.367 0.395 10 0 DCAELO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000255093391 657467196 /nfs/dbraw/zinc/46/71/96/657467196.db2.gz OJCPKFGUFPHMJU-YRBHFNIASA-N 1 2 310.419 0.986 10 0 DCAELO CC(=O)N1CSC[C@H]1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000725729298 657849352 /nfs/dbraw/zinc/84/93/52/657849352.db2.gz QXYONAZVBZTTGA-LBPRGKRZSA-N 1 2 315.439 0.135 10 0 DCAELO CC(=O)N1CSC[C@H]1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000725729298 657849365 /nfs/dbraw/zinc/84/93/65/657849365.db2.gz QXYONAZVBZTTGA-LBPRGKRZSA-N 1 2 315.439 0.135 10 0 DCAELO COC(=O)[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)C1 ZINC000181369247 665560809 /nfs/dbraw/zinc/56/08/09/665560809.db2.gz YAEOWTFONRBBOV-DGCLKSJQSA-N 1 2 306.366 0.536 10 0 DCAELO COC(=O)[C@@H]1CC(=O)N(C[N@H+]2CCC[C@@H]2c2cnn(C)c2)C1 ZINC000181369247 665560810 /nfs/dbraw/zinc/56/08/10/665560810.db2.gz YAEOWTFONRBBOV-DGCLKSJQSA-N 1 2 306.366 0.536 10 0 DCAELO CCCc1noc(C[N@@H+]2CCC[C@@](O)(Cc3nncn3C)C2)n1 ZINC000888076883 658718025 /nfs/dbraw/zinc/71/80/25/658718025.db2.gz RTKJFDWFLOJZHD-OAHLLOKOSA-N 1 2 320.397 0.720 10 0 DCAELO CCCc1noc(C[N@H+]2CCC[C@@](O)(Cc3nncn3C)C2)n1 ZINC000888076883 658718030 /nfs/dbraw/zinc/71/80/30/658718030.db2.gz RTKJFDWFLOJZHD-OAHLLOKOSA-N 1 2 320.397 0.720 10 0 DCAELO CC(C)c1noc(C[N@@H+]2CCC[C@@](O)(Cc3nncn3C)C2)n1 ZINC000888076846 658718479 /nfs/dbraw/zinc/71/84/79/658718479.db2.gz LRKVTLWPOIAXLV-OAHLLOKOSA-N 1 2 320.397 0.891 10 0 DCAELO CC(C)c1noc(C[N@H+]2CCC[C@@](O)(Cc3nncn3C)C2)n1 ZINC000888076846 658718483 /nfs/dbraw/zinc/71/84/83/658718483.db2.gz LRKVTLWPOIAXLV-OAHLLOKOSA-N 1 2 320.397 0.891 10 0 DCAELO O=C1[C@@H]([N@@H+]2CCO[C@]3(CCOC3)C2)CCN1C1CCOCC1 ZINC000329916566 659414462 /nfs/dbraw/zinc/41/44/62/659414462.db2.gz YXKTYQIRNRVQAD-GOEBONIOSA-N 1 2 310.394 0.258 10 0 DCAELO O=C1[C@@H]([N@H+]2CCO[C@]3(CCOC3)C2)CCN1C1CCOCC1 ZINC000329916566 659414464 /nfs/dbraw/zinc/41/44/64/659414464.db2.gz YXKTYQIRNRVQAD-GOEBONIOSA-N 1 2 310.394 0.258 10 0 DCAELO CCN(CC)C(=O)N1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000262914377 662597749 /nfs/dbraw/zinc/59/77/49/662597749.db2.gz GCWCQTUONGUVTE-NSHDSACASA-N 1 2 318.368 0.590 10 0 DCAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)C(F)(F)c1ccccc1 ZINC000192455383 662876827 /nfs/dbraw/zinc/87/68/27/662876827.db2.gz UPJJFSJHHMCGKG-ZDUSSCGKSA-N 1 2 314.332 0.588 10 0 DCAELO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCN=S2(=O)CCCC2)O1 ZINC000898433256 663090622 /nfs/dbraw/zinc/09/06/22/663090622.db2.gz PSWAZPDKHYIROL-VXGBXAGGSA-N 1 2 303.428 0.084 10 0 DCAELO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCN=S2(=O)CCCC2)O1 ZINC000898433256 663090623 /nfs/dbraw/zinc/09/06/23/663090623.db2.gz PSWAZPDKHYIROL-VXGBXAGGSA-N 1 2 303.428 0.084 10 0 DCAELO O=C(N[C@H]1CCc2[nH+]ccn2C1)c1cccc2[nH]c(CO)nc21 ZINC000906434568 663615346 /nfs/dbraw/zinc/61/53/46/663615346.db2.gz RZHNIJWGHAXCOG-JTQLQIEISA-N 1 2 311.345 0.997 10 0 DCAELO CC(C)[C@]1(C)CC(=O)N(C[N@@H+]2CC[C@H](N3CCOCC3)C2)C1=O ZINC000172959079 664625934 /nfs/dbraw/zinc/62/59/34/664625934.db2.gz ALSJXUNKLLCNPD-YOEHRIQHSA-N 1 2 323.437 0.772 10 0 DCAELO CC(C)[C@]1(C)CC(=O)N(C[N@H+]2CC[C@H](N3CCOCC3)C2)C1=O ZINC000172959079 664625935 /nfs/dbraw/zinc/62/59/35/664625935.db2.gz ALSJXUNKLLCNPD-YOEHRIQHSA-N 1 2 323.437 0.772 10 0 DCAELO CC(C)[C@]1(C)CC(=O)N(CN2CC[C@H]([NH+]3CCOCC3)C2)C1=O ZINC000172959079 664625936 /nfs/dbraw/zinc/62/59/36/664625936.db2.gz ALSJXUNKLLCNPD-YOEHRIQHSA-N 1 2 323.437 0.772 10 0 DCAELO CC(=O)N1CSC[C@H]1C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000730832235 664817828 /nfs/dbraw/zinc/81/78/28/664817828.db2.gz HEXIZKKGQXTYDW-ZDUSSCGKSA-N 1 2 307.375 0.593 10 0 DCAELO CN([C@H]1C[NH+]2CCC1CC2)S(=O)(=O)C1CCC(=O)CC1 ZINC000708201792 667442338 /nfs/dbraw/zinc/44/23/38/667442338.db2.gz JCCHIPFTLKWPFE-AWEZNQCLSA-N 1 2 300.424 0.854 10 0 DCAELO CO[C@@H]1CC(=O)N(C[NH+]2CCC(Nc3cccnn3)CC2)C1 ZINC000189151141 670093301 /nfs/dbraw/zinc/09/33/01/670093301.db2.gz SCLMJVQWNKIYDY-CYBMUJFWSA-N 1 2 305.382 0.558 10 0 DCAELO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@@H+]1CCO ZINC000189996247 670187755 /nfs/dbraw/zinc/18/77/55/670187755.db2.gz VIKQIZYDSLXIQI-JTQLQIEISA-N 1 2 308.338 0.316 10 0 DCAELO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@H+]1CCO ZINC000189996247 670187759 /nfs/dbraw/zinc/18/77/59/670187759.db2.gz VIKQIZYDSLXIQI-JTQLQIEISA-N 1 2 308.338 0.316 10 0 DCAELO C[C@H](NC(=O)CNC(=O)c1ccccn1)[C@H](C)[NH+]1CCOCC1 ZINC000172541601 198112900 /nfs/dbraw/zinc/11/29/00/198112900.db2.gz KCCUMGDHIUNHPL-STQMWFEESA-N 1 2 320.393 0.037 10 0 DCAELO C[C@@H]1CN(C(=O)c2cc(N(C)C)ccn2)C[C@H]1[NH+]1CCOCC1 ZINC000173979700 198276264 /nfs/dbraw/zinc/27/62/64/198276264.db2.gz FEFAYASBNHMTBE-CZUORRHYSA-N 1 2 318.421 0.940 10 0 DCAELO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nccn(C)c2=O)CC1 ZINC000174740337 198378063 /nfs/dbraw/zinc/37/80/63/198378063.db2.gz JLFWPQOKTNDGLT-UHFFFAOYSA-N 1 2 316.409 0.453 10 0 DCAELO CCn1cc(C[N@@H+]2CCCN(C(=O)c3cn(C)cn3)CC2)cn1 ZINC000179341080 199018136 /nfs/dbraw/zinc/01/81/36/199018136.db2.gz DMGVIGATFUNVEV-UHFFFAOYSA-N 1 2 316.409 0.985 10 0 DCAELO CCn1cc(C[N@H+]2CCCN(C(=O)c3cn(C)cn3)CC2)cn1 ZINC000179341080 199018139 /nfs/dbraw/zinc/01/81/39/199018139.db2.gz DMGVIGATFUNVEV-UHFFFAOYSA-N 1 2 316.409 0.985 10 0 DCAELO Cc1ccc2oc(C(=O)NC[C@@H](O)C[NH+]3CCOCC3)cc2n1 ZINC000179475635 199042102 /nfs/dbraw/zinc/04/21/02/199042102.db2.gz ANXWYPHJULGEHK-GFCCVEGCSA-N 1 2 319.361 0.559 10 0 DCAELO Cc1oc(S(N)(=O)=O)cc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000281075222 216062950 /nfs/dbraw/zinc/06/29/50/216062950.db2.gz FMYHNAHHMKCTAA-UHFFFAOYSA-N 1 2 313.379 0.156 10 0 DCAELO CN(C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C)C(=O)[C@@H]1CCOC1 ZINC000281128087 216097224 /nfs/dbraw/zinc/09/72/24/216097224.db2.gz GPAAXNLUJFGSPG-RDBSUJKOSA-N 1 2 324.400 0.827 10 0 DCAELO CC[C@H]1C[N@H+](CC(=O)N2CCNC2=O)CCN1CC(F)F ZINC000153664143 291207519 /nfs/dbraw/zinc/20/75/19/291207519.db2.gz XNFLAITWUDRXPS-JTQLQIEISA-N 1 2 304.341 0.200 10 0 DCAELO CC[C@H]1C[N@@H+](CC(=O)N2CCNC2=O)CCN1CC(F)F ZINC000153664143 291207522 /nfs/dbraw/zinc/20/75/22/291207522.db2.gz XNFLAITWUDRXPS-JTQLQIEISA-N 1 2 304.341 0.200 10 0 DCAELO Cc1cc(F)ccc1S(=O)(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000188732679 200295831 /nfs/dbraw/zinc/29/58/31/200295831.db2.gz XNQBTCJQWQWWLV-GFCCVEGCSA-N 1 2 316.398 0.821 10 0 DCAELO Cc1cc(F)ccc1S(=O)(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000188732679 200295834 /nfs/dbraw/zinc/29/58/34/200295834.db2.gz XNQBTCJQWQWWLV-GFCCVEGCSA-N 1 2 316.398 0.821 10 0 DCAELO Cc1cnc(CC[N@@H+](C)CC(=O)N[C@H](C)C(=O)N(C)C)s1 ZINC000157731087 291229759 /nfs/dbraw/zinc/22/97/59/291229759.db2.gz CMGUQIZXZDRDLJ-LLVKDONJSA-N 1 2 312.439 0.519 10 0 DCAELO Cc1cnc(CC[N@H+](C)CC(=O)N[C@H](C)C(=O)N(C)C)s1 ZINC000157731087 291229760 /nfs/dbraw/zinc/22/97/60/291229760.db2.gz CMGUQIZXZDRDLJ-LLVKDONJSA-N 1 2 312.439 0.519 10 0 DCAELO COC(=O)[C@@H]1CC[C@@H]1C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000367527221 291443539 /nfs/dbraw/zinc/44/35/39/291443539.db2.gz MUUUSFCQQHDQNY-XDQVBPFNSA-N 1 2 310.394 0.507 10 0 DCAELO CNC(=O)[C@H]1CCCC[N@@H+]1CC(=O)NCc1ccc(OC)cc1 ZINC000104672446 194024332 /nfs/dbraw/zinc/02/43/32/194024332.db2.gz OULXDPVVARBKMT-OAHLLOKOSA-N 1 2 319.405 0.912 10 0 DCAELO CNC(=O)[C@H]1CCCC[N@H+]1CC(=O)NCc1ccc(OC)cc1 ZINC000104672446 194024336 /nfs/dbraw/zinc/02/43/36/194024336.db2.gz OULXDPVVARBKMT-OAHLLOKOSA-N 1 2 319.405 0.912 10 0 DCAELO Cc1cc(C)n(CCCNC(=O)NC[C@H]2C[N@H+](C)CCO2)n1 ZINC000104799312 194041867 /nfs/dbraw/zinc/04/18/67/194041867.db2.gz XHGUDDLWZLNOBH-AWEZNQCLSA-N 1 2 309.414 0.520 10 0 DCAELO Cc1cc(C)n(CCCNC(=O)NC[C@H]2C[N@@H+](C)CCO2)n1 ZINC000104799312 194041869 /nfs/dbraw/zinc/04/18/69/194041869.db2.gz XHGUDDLWZLNOBH-AWEZNQCLSA-N 1 2 309.414 0.520 10 0 DCAELO CNC(=O)NC(=O)C[N@H+](C)[C@H]1CCN(c2ccccc2)C1=O ZINC000109814824 194289308 /nfs/dbraw/zinc/28/93/08/194289308.db2.gz ZAQJDZLYVBQMMV-LBPRGKRZSA-N 1 2 304.350 0.179 10 0 DCAELO CNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCN(c2ccccc2)C1=O ZINC000109814824 194289310 /nfs/dbraw/zinc/28/93/10/194289310.db2.gz ZAQJDZLYVBQMMV-LBPRGKRZSA-N 1 2 304.350 0.179 10 0 DCAELO O=C1NC[C@H]2C[N@H+]([C@H]3CCCc4ccc(F)cc43)CCN2C1=O ZINC000245517297 296384877 /nfs/dbraw/zinc/38/48/77/296384877.db2.gz RHTLTKNDGURHQQ-ZFWWWQNUSA-N 1 2 317.364 0.846 10 0 DCAELO O=C1NC[C@H]2C[N@@H+]([C@H]3CCCc4ccc(F)cc43)CCN2C1=O ZINC000245517297 296384878 /nfs/dbraw/zinc/38/48/78/296384878.db2.gz RHTLTKNDGURHQQ-ZFWWWQNUSA-N 1 2 317.364 0.846 10 0 DCAELO CC(=O)[C@@H](C)CCCCC(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000351484109 254338514 /nfs/dbraw/zinc/33/85/14/254338514.db2.gz QOMBMPCCOWIRSF-DZGCQCFKSA-N 1 2 314.426 0.581 10 0 DCAELO CCc1nnc(C)cc1C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000283858324 131029850 /nfs/dbraw/zinc/02/98/50/131029850.db2.gz BOIZREOELCMICE-LSDHHAIUSA-N 1 2 304.394 0.893 10 0 DCAELO CCc1nnc(C)cc1C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000283858324 131029851 /nfs/dbraw/zinc/02/98/51/131029851.db2.gz BOIZREOELCMICE-LSDHHAIUSA-N 1 2 304.394 0.893 10 0 DCAELO C[C@H](Cn1cccn1)NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000284043084 131043809 /nfs/dbraw/zinc/04/38/09/131043809.db2.gz OXOZASYNSIZPKG-MCIONIFRSA-N 1 2 307.398 0.386 10 0 DCAELO C[C@H](Cn1cccn1)NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000284043084 131043811 /nfs/dbraw/zinc/04/38/11/131043811.db2.gz OXOZASYNSIZPKG-MCIONIFRSA-N 1 2 307.398 0.386 10 0 DCAELO Cn1ncc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)c1C1CC1 ZINC000284495597 131086263 /nfs/dbraw/zinc/08/62/63/131086263.db2.gz NELRGFGYHUALTD-KGLIPLIRSA-N 1 2 304.394 0.843 10 0 DCAELO Cn1ncc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)c1C1CC1 ZINC000284495597 131086264 /nfs/dbraw/zinc/08/62/64/131086264.db2.gz NELRGFGYHUALTD-KGLIPLIRSA-N 1 2 304.394 0.843 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCCc3nccs3)C[C@@H]21 ZINC000285494504 131174524 /nfs/dbraw/zinc/17/45/24/131174524.db2.gz RJXSDUFKNZBJHM-NWDGAFQWSA-N 1 2 310.423 0.800 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCCc3nccs3)C[C@@H]21 ZINC000285494504 131174525 /nfs/dbraw/zinc/17/45/25/131174525.db2.gz RJXSDUFKNZBJHM-NWDGAFQWSA-N 1 2 310.423 0.800 10 0 DCAELO COc1cccc([C@@H](O)C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000164221430 132132285 /nfs/dbraw/zinc/13/22/85/132132285.db2.gz OQSWSYSSBCLSHG-JKSUJKDBSA-N 1 2 320.389 0.708 10 0 DCAELO COc1cccc([C@@H](O)C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000164221430 132132286 /nfs/dbraw/zinc/13/22/86/132132286.db2.gz OQSWSYSSBCLSHG-JKSUJKDBSA-N 1 2 320.389 0.708 10 0 DCAELO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1nnc2n1CCCC2 ZINC000173626228 285555183 /nfs/dbraw/zinc/55/51/83/285555183.db2.gz LOIMWNOVQMQAHR-UWVGGRQHSA-N 1 2 308.386 0.499 10 0 DCAELO Cc1ccc(C(=O)NCC(=O)NCC[NH+]2CCOCC2)cc1C ZINC000036105685 395722502 /nfs/dbraw/zinc/72/25/02/395722502.db2.gz FAIDXZHSNFVCSU-UHFFFAOYSA-N 1 2 319.405 0.482 10 0 DCAELO NC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC000028174032 395695770 /nfs/dbraw/zinc/69/57/70/395695770.db2.gz SASMOSFNBCTOHH-LBPRGKRZSA-N 1 2 307.419 0.830 10 0 DCAELO NC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC000028174032 395695771 /nfs/dbraw/zinc/69/57/71/395695771.db2.gz SASMOSFNBCTOHH-LBPRGKRZSA-N 1 2 307.419 0.830 10 0 DCAELO CC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc([S@@](C)=O)cc2)CC1 ZINC000106398009 395782528 /nfs/dbraw/zinc/78/25/28/395782528.db2.gz ZKIBEQJUPIJFHZ-PEBXRYMYSA-N 1 2 324.446 0.953 10 0 DCAELO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CNC(=O)C1 ZINC000194826963 395809261 /nfs/dbraw/zinc/80/92/61/395809261.db2.gz SNXAFUFZSUISDL-NSHDSACASA-N 1 2 302.309 0.764 10 0 DCAELO O=C(NCCC[NH+]1CCOCC1)c1cc(=O)c2ccccc2[nH]1 ZINC000048533998 395816412 /nfs/dbraw/zinc/81/64/12/395816412.db2.gz IUPZTNJSTFDRAR-UHFFFAOYSA-N 1 2 315.373 0.980 10 0 DCAELO COCCN(C[C@@H](O)C[NH+]1CCOCC1)CC(F)(F)F ZINC000112408589 395818269 /nfs/dbraw/zinc/81/82/69/395818269.db2.gz YYFZQJGCLZISRJ-NSHDSACASA-N 1 2 300.321 0.190 10 0 DCAELO Cc1cccc([C@H](O)CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000119624219 395873295 /nfs/dbraw/zinc/87/32/95/395873295.db2.gz OCGULNUQYFDWGA-HUUCEWRRSA-N 1 2 307.394 0.658 10 0 DCAELO Cc1cccc([C@H](O)CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000119624219 395873299 /nfs/dbraw/zinc/87/32/99/395873299.db2.gz OCGULNUQYFDWGA-HUUCEWRRSA-N 1 2 307.394 0.658 10 0 DCAELO CC(C)Cn1cc[nH+]c1CNC(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000152040732 395998570 /nfs/dbraw/zinc/99/85/70/395998570.db2.gz FCMCXCRUJUMASD-GFCCVEGCSA-N 1 2 320.397 0.458 10 0 DCAELO COC(=O)c1ncsc1S(=O)(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000134693113 395933659 /nfs/dbraw/zinc/93/36/59/395933659.db2.gz OLVTYUMBKPYTQT-MRVPVSSYSA-N 1 2 319.408 0.302 10 0 DCAELO COC(=O)c1ncsc1S(=O)(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000134693113 395933662 /nfs/dbraw/zinc/93/36/62/395933662.db2.gz OLVTYUMBKPYTQT-MRVPVSSYSA-N 1 2 319.408 0.302 10 0 DCAELO CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247096727 395966924 /nfs/dbraw/zinc/96/69/24/395966924.db2.gz MGLXXLFFISMYOK-SDDRHHMPSA-N 1 2 305.444 0.303 10 0 DCAELO CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247096727 395966928 /nfs/dbraw/zinc/96/69/28/395966928.db2.gz MGLXXLFFISMYOK-SDDRHHMPSA-N 1 2 305.444 0.303 10 0 DCAELO COCCCCS(=O)(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000248463439 395988927 /nfs/dbraw/zinc/98/89/27/395988927.db2.gz AOTXOVIWGXXBII-OLZOCXBDSA-N 1 2 308.444 0.130 10 0 DCAELO COCCCCS(=O)(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000248463439 395988930 /nfs/dbraw/zinc/98/89/30/395988930.db2.gz AOTXOVIWGXXBII-OLZOCXBDSA-N 1 2 308.444 0.130 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(N)cc2)C[C@@H]1C ZINC000248667214 395993578 /nfs/dbraw/zinc/99/35/78/395993578.db2.gz WYOHYKWYLRFNLO-RYUDHWBXSA-N 1 2 313.423 0.344 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(N)cc2)C[C@@H]1C ZINC000248667214 395993580 /nfs/dbraw/zinc/99/35/80/395993580.db2.gz WYOHYKWYLRFNLO-RYUDHWBXSA-N 1 2 313.423 0.344 10 0 DCAELO C[C@@H]1CCN(C(=O)NC[C@@H]2CN(C)CCO2)C[C@@H]1n1cc[nH+]c1 ZINC000153283775 396023061 /nfs/dbraw/zinc/02/30/61/396023061.db2.gz LRBQRXNNDDUQCB-KFWWJZLASA-N 1 2 321.425 0.806 10 0 DCAELO C[C@H](NC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1)[C@H]1CCOC1 ZINC000276844102 396032044 /nfs/dbraw/zinc/03/20/44/396032044.db2.gz YZQOEJYBQFLUIR-MELADBBJSA-N 1 2 321.425 0.843 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)NCCNC(=O)c2ccccc2)C1 ZINC000170921146 396101527 /nfs/dbraw/zinc/10/15/27/396101527.db2.gz LXIVWPAMDCTXPI-AWEZNQCLSA-N 1 2 320.393 0.046 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)NCCNC(=O)c2ccccc2)C1 ZINC000170921146 396101530 /nfs/dbraw/zinc/10/15/30/396101530.db2.gz LXIVWPAMDCTXPI-AWEZNQCLSA-N 1 2 320.393 0.046 10 0 DCAELO CCCc1cc(=O)n2nc(NC[C@@H]3C[N@H+](C)CCO3)sc2n1 ZINC000170999729 396103041 /nfs/dbraw/zinc/10/30/41/396103041.db2.gz YFEHUPWQZDVDOM-LLVKDONJSA-N 1 2 323.422 0.846 10 0 DCAELO CCCc1cc(=O)n2nc(NC[C@@H]3C[N@@H+](C)CCO3)sc2n1 ZINC000170999729 396103042 /nfs/dbraw/zinc/10/30/42/396103042.db2.gz YFEHUPWQZDVDOM-LLVKDONJSA-N 1 2 323.422 0.846 10 0 DCAELO COC(=O)[C@H]1C[C@@H]1C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000171401233 396116108 /nfs/dbraw/zinc/11/61/08/396116108.db2.gz IEGUBMGJXHMCHN-RYUDHWBXSA-N 1 2 300.318 0.693 10 0 DCAELO Cn1cc([C@@H]2CCCN2C(=O)NCC[NH+]2CCOCC2)cn1 ZINC000171530961 396117891 /nfs/dbraw/zinc/11/78/91/396117891.db2.gz OBTREHAEMRCPKG-AWEZNQCLSA-N 1 2 307.398 0.599 10 0 DCAELO C[C@@H](C(=O)NCC(F)(F)F)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173941943 396136997 /nfs/dbraw/zinc/13/69/97/396136997.db2.gz UZTAUMJQGHALPV-QWRGUYRKSA-N 1 2 309.332 0.460 10 0 DCAELO C[C@@H](C(=O)NCC(F)(F)F)[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173941943 396136998 /nfs/dbraw/zinc/13/69/98/396136998.db2.gz UZTAUMJQGHALPV-QWRGUYRKSA-N 1 2 309.332 0.460 10 0 DCAELO C[C@@H](C(=O)NCC(F)(F)F)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173941943 396137001 /nfs/dbraw/zinc/13/70/01/396137001.db2.gz UZTAUMJQGHALPV-QWRGUYRKSA-N 1 2 309.332 0.460 10 0 DCAELO O=C(Nc1ccc(F)nc1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000162017994 396077912 /nfs/dbraw/zinc/07/79/12/396077912.db2.gz YGZJXWCSJKFXND-GFCCVEGCSA-N 1 2 322.340 0.092 10 0 DCAELO CN(CC(=O)NCc1ccccc1)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263219934 396206758 /nfs/dbraw/zinc/20/67/58/396206758.db2.gz LRYJATNGCVFPDH-LBPRGKRZSA-N 1 2 311.332 0.758 10 0 DCAELO COc1ccccc1CCC(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000176442683 396155512 /nfs/dbraw/zinc/15/55/12/396155512.db2.gz ZYWYKMHTIRYGIJ-HNNXBMFYSA-N 1 2 322.405 0.437 10 0 DCAELO C[C@@H](NC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1)[C@H](C)CO ZINC000177800992 396183654 /nfs/dbraw/zinc/18/36/54/396183654.db2.gz NNARCWMGTMNMEN-VXGBXAGGSA-N 1 2 316.361 0.944 10 0 DCAELO CN(Cc1ccccc1)C(=O)CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262987441 396196078 /nfs/dbraw/zinc/19/60/78/396196078.db2.gz NHWVFKVSPBPGMM-GFCCVEGCSA-N 1 2 311.332 0.758 10 0 DCAELO Cn1c2ccc(NC(=O)[C@@H]3CC(F)(F)C[NH2+]3)cc2n(C)c1=O ZINC000263024444 396198486 /nfs/dbraw/zinc/19/84/86/396198486.db2.gz RGRKEQOHYJVBRS-VIFPVBQESA-N 1 2 310.304 0.813 10 0 DCAELO COc1ccccc1[C@@H](O)CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263082848 396200821 /nfs/dbraw/zinc/20/08/21/396200821.db2.gz XQXGYSCZGNSUHV-QWRGUYRKSA-N 1 2 300.305 0.842 10 0 DCAELO O=C(c1ccccn1)N1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263097279 396201421 /nfs/dbraw/zinc/20/14/21/396201421.db2.gz ZBPHRYQBFYEFGI-GFCCVEGCSA-N 1 2 324.331 0.363 10 0 DCAELO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C[C@H](O)C(F)(F)F)CC1 ZINC000181740887 396241547 /nfs/dbraw/zinc/24/15/47/396241547.db2.gz NBYXFFOJEJSDOK-NEPJUHHUSA-N 1 2 323.359 0.538 10 0 DCAELO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cccc3n[nH]nc32)C[C@H]1C ZINC000182785390 396254479 /nfs/dbraw/zinc/25/44/79/396254479.db2.gz QITQNSYTGWFPHH-GHMZBOCLSA-N 1 2 303.366 0.485 10 0 DCAELO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cccc3n[nH]nc32)C[C@H]1C ZINC000182785390 396254481 /nfs/dbraw/zinc/25/44/81/396254481.db2.gz QITQNSYTGWFPHH-GHMZBOCLSA-N 1 2 303.366 0.485 10 0 DCAELO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cccc3nn[nH]c32)C[C@H]1C ZINC000182785390 396254484 /nfs/dbraw/zinc/25/44/84/396254484.db2.gz QITQNSYTGWFPHH-GHMZBOCLSA-N 1 2 303.366 0.485 10 0 DCAELO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cccc3nn[nH]c32)C[C@H]1C ZINC000182785390 396254486 /nfs/dbraw/zinc/25/44/86/396254486.db2.gz QITQNSYTGWFPHH-GHMZBOCLSA-N 1 2 303.366 0.485 10 0 DCAELO COc1cccc([C@@H](O)CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)c1 ZINC000263318476 396213589 /nfs/dbraw/zinc/21/35/89/396213589.db2.gz ZVHLEYWLZZUUOA-RYUDHWBXSA-N 1 2 300.305 0.842 10 0 DCAELO CCN(CC)C(=O)[C@H](C)[NH+]1CCN(c2cc(OC)ncn2)CC1 ZINC000184076539 396284468 /nfs/dbraw/zinc/28/44/68/396284468.db2.gz FQOJDOKQTYKQJX-ZDUSSCGKSA-N 1 2 321.425 0.864 10 0 DCAELO C[C@@H](CNC(=O)N1CC(NC(=O)C2CCC2)C1)[NH+]1CCOCC1 ZINC000188794538 396386600 /nfs/dbraw/zinc/38/66/00/396386600.db2.gz OXKHGRXWSCDNGP-LBPRGKRZSA-N 1 2 324.425 0.017 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)[nH+]cn1 ZINC000188925897 396388719 /nfs/dbraw/zinc/38/87/19/396388719.db2.gz GKSHWXSDEBPWRC-QJPTWQEYSA-N 1 2 322.388 0.303 10 0 DCAELO COCCn1ccc(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)n1 ZINC000189811078 396399991 /nfs/dbraw/zinc/39/99/91/396399991.db2.gz RKQYTOLXSYSCOW-ZDUSSCGKSA-N 1 2 308.382 0.123 10 0 DCAELO COCCn1ccc(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)n1 ZINC000189811078 396399994 /nfs/dbraw/zinc/39/99/94/396399994.db2.gz RKQYTOLXSYSCOW-ZDUSSCGKSA-N 1 2 308.382 0.123 10 0 DCAELO C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CCCN(C)C(=O)C1 ZINC000191149798 396416090 /nfs/dbraw/zinc/41/60/90/396416090.db2.gz GBSCKLDXPYXZDH-LBPRGKRZSA-N 1 2 324.425 0.698 10 0 DCAELO C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CCCN(C)C(=O)C1 ZINC000191149798 396416092 /nfs/dbraw/zinc/41/60/92/396416092.db2.gz GBSCKLDXPYXZDH-LBPRGKRZSA-N 1 2 324.425 0.698 10 0 DCAELO CC(C)Cn1cc[nH+]c1CNC(=O)N1CCCNC(=O)[C@@H]1C ZINC000191425516 396418742 /nfs/dbraw/zinc/41/87/42/396418742.db2.gz RGKBKTWJEPOJLA-LBPRGKRZSA-N 1 2 307.398 0.959 10 0 DCAELO CNC(=O)[C@H]1C[N@H+](Cc2ccc3c(c2)sc(=O)n3C)CCO1 ZINC000192638118 396433858 /nfs/dbraw/zinc/43/38/58/396433858.db2.gz WBKKJKRVCIEWPL-GFCCVEGCSA-N 1 2 321.402 0.547 10 0 DCAELO CNC(=O)[C@H]1C[N@@H+](Cc2ccc3c(c2)sc(=O)n3C)CCO1 ZINC000192638118 396433859 /nfs/dbraw/zinc/43/38/59/396433859.db2.gz WBKKJKRVCIEWPL-GFCCVEGCSA-N 1 2 321.402 0.547 10 0 DCAELO O=C(NCCOC(F)(F)F)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000580808631 396500477 /nfs/dbraw/zinc/50/04/77/396500477.db2.gz XKCUWJHCWWAPQB-UHFFFAOYSA-N 1 2 316.239 0.925 10 0 DCAELO Cc1nn2c(C[N@@H+]3CCN4CCOC[C@H]4C3)c(C)nc2s1 ZINC000371889275 396479606 /nfs/dbraw/zinc/47/96/06/396479606.db2.gz WWFMUUDZSXWHIR-GFCCVEGCSA-N 1 2 307.423 0.924 10 0 DCAELO Cc1nn2c(C[N@H+]3CCN4CCOC[C@H]4C3)c(C)nc2s1 ZINC000371889275 396479607 /nfs/dbraw/zinc/47/96/07/396479607.db2.gz WWFMUUDZSXWHIR-GFCCVEGCSA-N 1 2 307.423 0.924 10 0 DCAELO CN(C[C@H]1CCC[C@H]1O)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000561016954 396628368 /nfs/dbraw/zinc/62/83/68/396628368.db2.gz ZIDCVVGIPNESDZ-DGCLKSJQSA-N 1 2 316.361 0.892 10 0 DCAELO Cc1[nH+]c2ccccc2n1CC(=O)N1CCN2CCOC[C@H]2C1 ZINC000374968783 396702318 /nfs/dbraw/zinc/70/23/18/396702318.db2.gz JKCRPEXWRZKCGF-CQSZACIVSA-N 1 2 314.389 0.888 10 0 DCAELO C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](C)C2)C[C@H]1[NH+]1CCOCC1 ZINC000375076650 396709910 /nfs/dbraw/zinc/70/99/10/396709910.db2.gz FJYSFWCAQIMCFD-QLFBSQMISA-N 1 2 323.437 0.424 10 0 DCAELO CNc1nc(N2C[C@@H](O)C[C@H]2CO)[nH+]cc1Br ZINC000302532263 396720375 /nfs/dbraw/zinc/72/03/75/396720375.db2.gz LNKOEAKIBOHNJO-BQBZGAKWSA-N 1 2 303.160 0.213 10 0 DCAELO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@@H]1CNC(=O)C1 ZINC000312037239 396763644 /nfs/dbraw/zinc/76/36/44/396763644.db2.gz PJWVQALNBHDTIC-LSDHHAIUSA-N 1 2 317.389 0.140 10 0 DCAELO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@H]1CNC(=O)C1 ZINC000312037239 396763653 /nfs/dbraw/zinc/76/36/53/396763653.db2.gz PJWVQALNBHDTIC-LSDHHAIUSA-N 1 2 317.389 0.140 10 0 DCAELO Cc1cc(C(=O)N2CCN(C)[C@@H](c3[nH]cc[nH+]3)C2)cc(=O)[nH]1 ZINC000328630048 396826358 /nfs/dbraw/zinc/82/63/58/396826358.db2.gz PLAKDOPUWIQTTJ-GFCCVEGCSA-N 1 2 301.350 0.948 10 0 DCAELO C[N@@H+]1CCO[C@@H](CN(CC(N)=O)C(=O)C[C@@H]2CCCCO2)C1 ZINC000328641646 396828230 /nfs/dbraw/zinc/82/82/30/396828230.db2.gz QRJBFCYBMILOPS-QWHCGFSZSA-N 1 2 313.398 0.640 10 0 DCAELO C[N@H+]1CCO[C@@H](CN(CC(N)=O)C(=O)C[C@@H]2CCCCO2)C1 ZINC000328641646 396828239 /nfs/dbraw/zinc/82/82/39/396828239.db2.gz QRJBFCYBMILOPS-QWHCGFSZSA-N 1 2 313.398 0.640 10 0 DCAELO C[C@H]1OCC[C@H]1S(=O)(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000329408284 396844627 /nfs/dbraw/zinc/84/46/27/396844627.db2.gz DDXQVZAPUYZASA-AAVRWANBSA-N 1 2 318.439 0.289 10 0 DCAELO C[C@H](c1nnnn1C1CC1)[N@@H+]1CC[C@@H](N2CCOCC2)[C@H]1C ZINC000329779796 396849654 /nfs/dbraw/zinc/84/96/54/396849654.db2.gz MDSKHXGLCILSPP-YRGRVCCFSA-N 1 2 306.414 0.864 10 0 DCAELO C[C@H](c1nnnn1C1CC1)[N@H+]1CC[C@@H](N2CCOCC2)[C@H]1C ZINC000329779796 396849659 /nfs/dbraw/zinc/84/96/59/396849659.db2.gz MDSKHXGLCILSPP-YRGRVCCFSA-N 1 2 306.414 0.864 10 0 DCAELO CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccn[nH]2)[C@@H]1c1cnn(C)c1 ZINC000618144024 396912138 /nfs/dbraw/zinc/91/21/38/396912138.db2.gz LMAGDCRNJPUVKC-KBPBESRZSA-N 1 2 318.381 0.335 10 0 DCAELO CC[N@H+]1CCO[C@@H](CNC(=O)c2ccn[nH]2)[C@@H]1c1cnn(C)c1 ZINC000618144024 396912143 /nfs/dbraw/zinc/91/21/43/396912143.db2.gz LMAGDCRNJPUVKC-KBPBESRZSA-N 1 2 318.381 0.335 10 0 DCAELO CO[C@@]1(C)C[C@H](NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1(C)C ZINC000571362442 396943444 /nfs/dbraw/zinc/94/34/44/396943444.db2.gz QVFFNFHLKRPURD-GUYCJALGSA-N 1 2 323.437 0.613 10 0 DCAELO CC(=O)N1CCN(C(=O)[C@@H]2CCn3cc(C)[nH+]c3C2)[C@H](C)C1 ZINC000626138519 397088372 /nfs/dbraw/zinc/08/83/72/397088372.db2.gz YXBRTHJHBHUKQU-TZMCWYRMSA-N 1 2 304.394 0.833 10 0 DCAELO c1c(C[NH2+]C2CN(c3ccncn3)C2)nnn1Cc1cccnc1 ZINC000631256166 397193814 /nfs/dbraw/zinc/19/38/14/397193814.db2.gz CQJFIIJYCDSIDU-UHFFFAOYSA-N 1 2 322.376 0.490 10 0 DCAELO c1c(C[NH2+]C2CN(c3ccncn3)C2)nnn1C[C@H]1CCOC1 ZINC000631256949 397194365 /nfs/dbraw/zinc/19/43/65/397194365.db2.gz UOCASNANVFWXHH-GFCCVEGCSA-N 1 2 315.381 0.083 10 0 DCAELO COCc1cncc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)OC)c1 ZINC000613237281 397226101 /nfs/dbraw/zinc/22/61/01/397226101.db2.gz KIESYDGEWALZDM-ZDUSSCGKSA-N 1 2 318.333 0.465 10 0 DCAELO COCc1cncc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)OC)c1 ZINC000613237281 397226103 /nfs/dbraw/zinc/22/61/03/397226103.db2.gz KIESYDGEWALZDM-ZDUSSCGKSA-N 1 2 318.333 0.465 10 0 DCAELO O=C([C@@H]1CCCCS1(=O)=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000407965929 397340023 /nfs/dbraw/zinc/34/00/23/397340023.db2.gz MJNJEEPSQSVWLL-KBPBESRZSA-N 1 2 323.418 0.522 10 0 DCAELO CCS(=O)(=O)NCC[N@@H+]1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000408046537 397345235 /nfs/dbraw/zinc/34/52/35/397345235.db2.gz XDXPLBZHKGEIGT-MCIONIFRSA-N 1 2 320.455 0.178 10 0 DCAELO CCS(=O)(=O)NCC[N@H+]1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000408046537 397345243 /nfs/dbraw/zinc/34/52/43/397345243.db2.gz XDXPLBZHKGEIGT-MCIONIFRSA-N 1 2 320.455 0.178 10 0 DCAELO CN(CCCO)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000369123172 397432780 /nfs/dbraw/zinc/43/27/80/397432780.db2.gz YMKISUSPUGCEDB-AWEZNQCLSA-N 1 2 317.455 0.218 10 0 DCAELO O=C(NCCCC1CC1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605561767 397667757 /nfs/dbraw/zinc/66/77/57/397667757.db2.gz LAVLHIGLLDYYPE-HNNXBMFYSA-N 1 2 323.437 0.474 10 0 DCAELO COc1cc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)cc(C)n1 ZINC000408022676 286197339 /nfs/dbraw/zinc/19/73/39/286197339.db2.gz NDWJQHWJPCIPAA-KGLIPLIRSA-N 1 2 305.378 0.944 10 0 DCAELO COc1cc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)cc(C)n1 ZINC000408022676 286197341 /nfs/dbraw/zinc/19/73/41/286197341.db2.gz NDWJQHWJPCIPAA-KGLIPLIRSA-N 1 2 305.378 0.944 10 0 DCAELO C[C@H]1CCCCN1S(=O)(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000329618925 299765841 /nfs/dbraw/zinc/76/58/41/299765841.db2.gz GISFULMQCUYNBF-KBPBESRZSA-N 1 2 317.455 0.512 10 0 DCAELO CC(C)c1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000051581882 158015425 /nfs/dbraw/zinc/01/54/25/158015425.db2.gz GKHQWPSMKZHZLF-CJNGLKHVSA-N 1 2 322.405 0.736 10 0 DCAELO CC(C)c1ccccc1OC[C@H](O)C[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000051581882 158015427 /nfs/dbraw/zinc/01/54/27/158015427.db2.gz GKHQWPSMKZHZLF-CJNGLKHVSA-N 1 2 322.405 0.736 10 0 DCAELO C[C@@H](CNC(=O)C[C@@H]1c2ccccc2NC1=O)[NH+]1CCOCC1 ZINC000063862945 158032492 /nfs/dbraw/zinc/03/24/92/158032492.db2.gz KGWAUWVULZEAHN-GXTWGEPZSA-N 1 2 317.389 0.949 10 0 DCAELO CCCOc1cccc(CNC(=O)C[N@@H+]2CCNC(=O)CC2)c1 ZINC000065954712 158034408 /nfs/dbraw/zinc/03/44/08/158034408.db2.gz UKSFHAUFTATLRY-UHFFFAOYSA-N 1 2 319.405 0.914 10 0 DCAELO CCCOc1cccc(CNC(=O)C[N@H+]2CCNC(=O)CC2)c1 ZINC000065954712 158034411 /nfs/dbraw/zinc/03/44/11/158034411.db2.gz UKSFHAUFTATLRY-UHFFFAOYSA-N 1 2 319.405 0.914 10 0 DCAELO COCC[N@H+]1CCN(c2ncc(C(N)=O)cc2Cl)C[C@H]1C ZINC000109320179 158135977 /nfs/dbraw/zinc/13/59/77/158135977.db2.gz SKSAIVAOSBNUPY-SNVBAGLBSA-N 1 2 312.801 0.991 10 0 DCAELO COCCc1noc(CN2CCCC[C@@H]2C[NH+]2CCOCC2)n1 ZINC000109819364 158138348 /nfs/dbraw/zinc/13/83/48/158138348.db2.gz DNMAYWIRIHAAEN-CQSZACIVSA-N 1 2 324.425 0.945 10 0 DCAELO COCCc1noc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)n1 ZINC000109819364 158138350 /nfs/dbraw/zinc/13/83/50/158138350.db2.gz DNMAYWIRIHAAEN-CQSZACIVSA-N 1 2 324.425 0.945 10 0 DCAELO COCCc1noc(C[N@H+]2CCCC[C@@H]2CN2CCOCC2)n1 ZINC000109819364 158138352 /nfs/dbraw/zinc/13/83/52/158138352.db2.gz DNMAYWIRIHAAEN-CQSZACIVSA-N 1 2 324.425 0.945 10 0 DCAELO COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114482881 158154891 /nfs/dbraw/zinc/15/48/91/158154891.db2.gz UZYWYCMBGJCNKF-WCQYABFASA-N 1 2 323.397 0.797 10 0 DCAELO COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114482881 158154893 /nfs/dbraw/zinc/15/48/93/158154893.db2.gz UZYWYCMBGJCNKF-WCQYABFASA-N 1 2 323.397 0.797 10 0 DCAELO CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116892298 158168623 /nfs/dbraw/zinc/16/86/23/158168623.db2.gz VKUSAAXOKMRALP-QWHCGFSZSA-N 1 2 317.455 0.401 10 0 DCAELO CC[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116892298 158168625 /nfs/dbraw/zinc/16/86/25/158168625.db2.gz VKUSAAXOKMRALP-QWHCGFSZSA-N 1 2 317.455 0.401 10 0 DCAELO CCCN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000121071655 158206428 /nfs/dbraw/zinc/20/64/28/158206428.db2.gz GXCPFNDVNROUGT-CQSZACIVSA-N 1 2 319.471 0.760 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)N2CCO[C@H](c3ccco3)C2)C1 ZINC000124908522 158249154 /nfs/dbraw/zinc/24/91/54/158249154.db2.gz ZGSUMHWPXXIIBB-OCCSQVGLSA-N 1 2 309.366 0.693 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)N2CCO[C@H](c3ccco3)C2)C1 ZINC000124908522 158249156 /nfs/dbraw/zinc/24/91/56/158249156.db2.gz ZGSUMHWPXXIIBB-OCCSQVGLSA-N 1 2 309.366 0.693 10 0 DCAELO O=C1CCN(C[C@@H](O)C[NH+]2CCOCC2)c2ccc(F)cc2N1 ZINC000126895293 158269027 /nfs/dbraw/zinc/26/90/27/158269027.db2.gz NGKQRCKMPYDFPL-ZDUSSCGKSA-N 1 2 323.368 0.667 10 0 DCAELO COc1cccc(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)c1O ZINC000127224922 158271444 /nfs/dbraw/zinc/27/14/44/158271444.db2.gz VYCTUEJDQTXDOL-GFCCVEGCSA-N 1 2 306.362 0.994 10 0 DCAELO Cc1[nH]nc2ncc(C(=O)NC[C@@H]3C[N@@H+](C4CC4)CCO3)cc12 ZINC000127390970 158272362 /nfs/dbraw/zinc/27/23/62/158272362.db2.gz DYSOTRHTQYLTBI-CYBMUJFWSA-N 1 2 315.377 0.859 10 0 DCAELO Cc1[nH]nc2ncc(C(=O)NC[C@@H]3C[N@H+](C4CC4)CCO3)cc12 ZINC000127390970 158272364 /nfs/dbraw/zinc/27/23/64/158272364.db2.gz DYSOTRHTQYLTBI-CYBMUJFWSA-N 1 2 315.377 0.859 10 0 DCAELO CCc1nsc(N2CC[NH+]([C@@H]3CCCCNC3=O)CC2)n1 ZINC000128737176 158282734 /nfs/dbraw/zinc/28/27/34/158282734.db2.gz HUBKMALFIXUGBD-LLVKDONJSA-N 1 2 309.439 0.891 10 0 DCAELO COc1cc(C)cc(C(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c1O ZINC000134390321 158327768 /nfs/dbraw/zinc/32/77/68/158327768.db2.gz RXLJRMCXZMBRKJ-GXTWGEPZSA-N 1 2 306.362 0.864 10 0 DCAELO COc1cc(C)cc(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c1O ZINC000134390321 158327769 /nfs/dbraw/zinc/32/77/69/158327769.db2.gz RXLJRMCXZMBRKJ-GXTWGEPZSA-N 1 2 306.362 0.864 10 0 DCAELO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)[C@H]1CCCc2n[nH]cc21 ZINC000135574084 158339234 /nfs/dbraw/zinc/33/92/34/158339234.db2.gz MMKXEVFBASNJKK-OLZOCXBDSA-N 1 2 304.394 0.809 10 0 DCAELO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)[C@H]1CCCc2n[nH]cc21 ZINC000135574084 158339236 /nfs/dbraw/zinc/33/92/36/158339236.db2.gz MMKXEVFBASNJKK-OLZOCXBDSA-N 1 2 304.394 0.809 10 0 DCAELO CN(C(=O)C[N@@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1)C1CC1 ZINC000135744469 158340333 /nfs/dbraw/zinc/34/03/33/158340333.db2.gz UUUAHGRQRGEUBX-CYBMUJFWSA-N 1 2 315.439 0.107 10 0 DCAELO CN(C(=O)C[N@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1)C1CC1 ZINC000135744469 158340336 /nfs/dbraw/zinc/34/03/36/158340336.db2.gz UUUAHGRQRGEUBX-CYBMUJFWSA-N 1 2 315.439 0.107 10 0 DCAELO Cc1noc(CCNC(=O)NCC[N@@H+]2CCOCC2(C)C)n1 ZINC000170834303 158376863 /nfs/dbraw/zinc/37/68/63/158376863.db2.gz URWUSHKNLVFZJO-UHFFFAOYSA-N 1 2 311.386 0.331 10 0 DCAELO Cc1noc(CCNC(=O)NCC[N@H+]2CCOCC2(C)C)n1 ZINC000170834303 158376865 /nfs/dbraw/zinc/37/68/65/158376865.db2.gz URWUSHKNLVFZJO-UHFFFAOYSA-N 1 2 311.386 0.331 10 0 DCAELO CCNC(=O)CN(CC)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000171735250 158386852 /nfs/dbraw/zinc/38/68/52/158386852.db2.gz ULBZZQMRJMUJHI-UHFFFAOYSA-N 1 2 307.398 0.815 10 0 DCAELO C[C@@H](CNC(=O)N1CCC[C@@H](n2cncn2)C1)[NH+]1CCOCC1 ZINC000173827300 158410724 /nfs/dbraw/zinc/41/07/24/158410724.db2.gz JIEXDWWWGUOGLZ-UONOGXRCSA-N 1 2 322.413 0.345 10 0 DCAELO COc1ccccc1/C=C/C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178653265 158461635 /nfs/dbraw/zinc/46/16/35/158461635.db2.gz GNSWNAVEEGDTOJ-LFAOLKIESA-N 1 2 301.390 0.824 10 0 DCAELO CC(C)C(=O)N1CCCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263306783 158871297 /nfs/dbraw/zinc/87/12/97/158871297.db2.gz XZFCLQHTAMMLHF-LLVKDONJSA-N 1 2 303.353 0.701 10 0 DCAELO Cn1ncc2c1C[C@@H](C(=O)N1CC[C@H]3OCC[N@H+](C)[C@H]3C1)CC2 ZINC000328860197 159035409 /nfs/dbraw/zinc/03/54/09/159035409.db2.gz AHSJASWRBSBCDH-VBNZEHGJSA-N 1 2 318.421 0.457 10 0 DCAELO Cn1ncc2c1C[C@@H](C(=O)N1CC[C@H]3OCC[N@@H+](C)[C@H]3C1)CC2 ZINC000328860197 159035411 /nfs/dbraw/zinc/03/54/11/159035411.db2.gz AHSJASWRBSBCDH-VBNZEHGJSA-N 1 2 318.421 0.457 10 0 DCAELO CC[C@H](C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1)N1CCCC1=O ZINC000328874461 159037190 /nfs/dbraw/zinc/03/71/90/159037190.db2.gz JLISTNGKJJABKS-HZSPNIEDSA-N 1 2 309.410 0.319 10 0 DCAELO CC[C@H](C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1)N1CCCC1=O ZINC000328874461 159037192 /nfs/dbraw/zinc/03/71/92/159037192.db2.gz JLISTNGKJJABKS-HZSPNIEDSA-N 1 2 309.410 0.319 10 0 DCAELO COCc1nc(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)cs1 ZINC000328902464 159039273 /nfs/dbraw/zinc/03/92/73/159039273.db2.gz GQIFVEJKGNZPGX-NWDGAFQWSA-N 1 2 311.407 0.835 10 0 DCAELO COCc1nc(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)cs1 ZINC000328902464 159039275 /nfs/dbraw/zinc/03/92/75/159039275.db2.gz GQIFVEJKGNZPGX-NWDGAFQWSA-N 1 2 311.407 0.835 10 0 DCAELO NS(=O)(=O)C1CC[NH+](Cc2nc3cccnc3s2)CC1 ZINC000328906950 159039526 /nfs/dbraw/zinc/03/95/26/159039526.db2.gz LDSJTLVAZCZEBL-UHFFFAOYSA-N 1 2 312.420 0.944 10 0 DCAELO Cc1cnc(COCC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)o1 ZINC000329117067 159064333 /nfs/dbraw/zinc/06/43/33/159064333.db2.gz UHQDVYADXLAYBI-QWHCGFSZSA-N 1 2 309.366 0.431 10 0 DCAELO Cc1cnc(COCC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)o1 ZINC000329117067 159064335 /nfs/dbraw/zinc/06/43/35/159064335.db2.gz UHQDVYADXLAYBI-QWHCGFSZSA-N 1 2 309.366 0.431 10 0 DCAELO CCN1C[C@@H](C(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)CC1=O ZINC000329721238 159113931 /nfs/dbraw/zinc/11/39/31/159113931.db2.gz NAHJBQXVIAUBRM-HZSPNIEDSA-N 1 2 309.410 0.176 10 0 DCAELO CC(C)C(=O)N1CC[NH+]([C@@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000330033505 159137358 /nfs/dbraw/zinc/13/73/58/159137358.db2.gz VOJSNXWVKZSZAU-OAHLLOKOSA-N 1 2 323.437 0.567 10 0 DCAELO C[C@H](C(=O)N1CCC(Oc2cnccn2)CC1)[NH+]1CCOCC1 ZINC000330298939 159157662 /nfs/dbraw/zinc/15/76/62/159157662.db2.gz HSLKWCAMPMSRBK-CYBMUJFWSA-N 1 2 320.393 0.567 10 0 DCAELO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000332964337 159218189 /nfs/dbraw/zinc/21/81/89/159218189.db2.gz KDQBBXGPAPXHBQ-FZMZJTMJSA-N 1 2 309.410 0.223 10 0 DCAELO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCO[C@H](C2CC2)C1 ZINC000332964337 159218191 /nfs/dbraw/zinc/21/81/91/159218191.db2.gz KDQBBXGPAPXHBQ-FZMZJTMJSA-N 1 2 309.410 0.223 10 0 DCAELO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCc3ncccc3C2)C1 ZINC000367858846 159361057 /nfs/dbraw/zinc/36/10/57/159361057.db2.gz MLZUCPSFAIGERS-OAHLLOKOSA-N 1 2 316.405 0.567 10 0 DCAELO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCc3ncccc3C2)C1 ZINC000367858846 159361060 /nfs/dbraw/zinc/36/10/60/159361060.db2.gz MLZUCPSFAIGERS-OAHLLOKOSA-N 1 2 316.405 0.567 10 0 DCAELO Cc1ccccc1CNC(=O)C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000368211248 159382269 /nfs/dbraw/zinc/38/22/69/159382269.db2.gz CRQQWBXOOPXPSS-INIZCTEOSA-N 1 2 303.406 0.628 10 0 DCAELO Cc1ccccc1CNC(=O)C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000368211248 159382271 /nfs/dbraw/zinc/38/22/71/159382271.db2.gz CRQQWBXOOPXPSS-INIZCTEOSA-N 1 2 303.406 0.628 10 0 DCAELO CC[C@H]1CN(C(=O)c2cncc(O)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000408004151 160008799 /nfs/dbraw/zinc/00/87/99/160008799.db2.gz KOSNLSLUIBWYMW-WFASDCNBSA-N 1 2 305.378 0.970 10 0 DCAELO COc1ccc(CNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)cn1 ZINC000408015096 160011009 /nfs/dbraw/zinc/01/10/09/160011009.db2.gz ABEMLRNKWLXIDD-ZIAGYGMSSA-N 1 2 320.393 0.705 10 0 DCAELO COc1ccc(CNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)cn1 ZINC000408015096 160011011 /nfs/dbraw/zinc/01/10/11/160011011.db2.gz ABEMLRNKWLXIDD-ZIAGYGMSSA-N 1 2 320.393 0.705 10 0 DCAELO C[C@@H](C[N@@H+]1CCN(C(=O)N(C)C)CC1(C)C)CS(C)(=O)=O ZINC000408131149 160043656 /nfs/dbraw/zinc/04/36/56/160043656.db2.gz GMWZJDIDJLDEPL-LBPRGKRZSA-N 1 2 319.471 0.745 10 0 DCAELO C[C@@H](C[N@H+]1CCN(C(=O)N(C)C)CC1(C)C)CS(C)(=O)=O ZINC000408131149 160043658 /nfs/dbraw/zinc/04/36/58/160043658.db2.gz GMWZJDIDJLDEPL-LBPRGKRZSA-N 1 2 319.471 0.745 10 0 DCAELO CC[C@H]1CN(C(=O)c2c[nH]cc(C)c2=O)C[C@@H]1[NH+]1CCOCC1 ZINC000408169595 160051816 /nfs/dbraw/zinc/05/18/16/160051816.db2.gz RJXFMJQAHPRCQC-ZFWWWQNUSA-N 1 2 319.405 0.866 10 0 DCAELO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)CC(F)(F)F)CC1 ZINC000408316662 160083045 /nfs/dbraw/zinc/08/30/45/160083045.db2.gz CUEMUWAKCYSSEV-VIFPVBQESA-N 1 2 304.334 0.267 10 0 DCAELO C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CC[N@H+](CCO)[C@@H](C)C2)C1 ZINC000408367814 160093356 /nfs/dbraw/zinc/09/33/56/160093356.db2.gz YIIQOFZNBSDEIB-MJBXVCDLSA-N 1 2 319.471 0.208 10 0 DCAELO C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)C1 ZINC000408367814 160093358 /nfs/dbraw/zinc/09/33/58/160093358.db2.gz YIIQOFZNBSDEIB-MJBXVCDLSA-N 1 2 319.471 0.208 10 0 DCAELO CNS(=O)(=O)c1cc(C(=O)N2CC[N@H+](C)C[C@H]2C)c(C)o1 ZINC000408396091 160099652 /nfs/dbraw/zinc/09/96/52/160099652.db2.gz OJNHRCIECUAJRO-SECBINFHSA-N 1 2 315.395 0.272 10 0 DCAELO CNS(=O)(=O)c1cc(C(=O)N2CC[N@@H+](C)C[C@H]2C)c(C)o1 ZINC000408396091 160099654 /nfs/dbraw/zinc/09/96/54/160099654.db2.gz OJNHRCIECUAJRO-SECBINFHSA-N 1 2 315.395 0.272 10 0 DCAELO C[C@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@@H]1[NH+]1CCOCC1 ZINC000408417098 160103348 /nfs/dbraw/zinc/10/33/48/160103348.db2.gz XNXZORJDJWZZIG-QWRGUYRKSA-N 1 2 307.350 0.171 10 0 DCAELO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)cn1 ZINC000408448811 160110043 /nfs/dbraw/zinc/11/00/43/160110043.db2.gz BBOMZDCUMYUVPN-QWHCGFSZSA-N 1 2 313.423 0.466 10 0 DCAELO Cc1ccc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)cn1 ZINC000408448811 160110047 /nfs/dbraw/zinc/11/00/47/160110047.db2.gz BBOMZDCUMYUVPN-QWHCGFSZSA-N 1 2 313.423 0.466 10 0 DCAELO C[C@@H](CN1CCCC1=O)NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000056399547 286898497 /nfs/dbraw/zinc/89/84/97/286898497.db2.gz JATQSRIYFJFEEB-LBPRGKRZSA-N 1 2 319.409 0.958 10 0 DCAELO Cc1cc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c(C)o1 ZINC000245842407 287073350 /nfs/dbraw/zinc/07/33/50/287073350.db2.gz DTHUEXFEQIRSRH-WDEREUQCSA-N 1 2 316.423 0.972 10 0 DCAELO Cc1cc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c(C)o1 ZINC000245842407 287073354 /nfs/dbraw/zinc/07/33/54/287073354.db2.gz DTHUEXFEQIRSRH-WDEREUQCSA-N 1 2 316.423 0.972 10 0 DCAELO CC[C@@H]1CN(S(=O)(=O)[C@@H]2CCO[C@H]2C)CC[N@@H+]1CCOC ZINC000248891859 287103180 /nfs/dbraw/zinc/10/31/80/287103180.db2.gz FXQUHZGQYIIMFP-BFHYXJOUSA-N 1 2 320.455 0.536 10 0 DCAELO CC[C@@H]1CN(S(=O)(=O)[C@@H]2CCO[C@H]2C)CC[N@H+]1CCOC ZINC000248891859 287103183 /nfs/dbraw/zinc/10/31/83/287103183.db2.gz FXQUHZGQYIIMFP-BFHYXJOUSA-N 1 2 320.455 0.536 10 0 DCAELO Cc1ccc(S(=O)(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1C ZINC000249470358 287111465 /nfs/dbraw/zinc/11/14/65/287111465.db2.gz RVIOKGGLKBFKKG-AWEZNQCLSA-N 1 2 312.435 0.991 10 0 DCAELO Cc1ccc(S(=O)(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1C ZINC000249470358 287111467 /nfs/dbraw/zinc/11/14/67/287111467.db2.gz RVIOKGGLKBFKKG-AWEZNQCLSA-N 1 2 312.435 0.991 10 0 DCAELO COc1ccc(CNC(=O)C[N@H+](C)CC(=O)NC2CC2)cc1 ZINC000007925919 415143262 /nfs/dbraw/zinc/14/32/62/415143262.db2.gz SOQOFIWBCGCMOS-UHFFFAOYSA-N 1 2 305.378 0.522 10 0 DCAELO COc1ccc(CNC(=O)C[N@@H+](C)CC(=O)NC2CC2)cc1 ZINC000007925919 415143272 /nfs/dbraw/zinc/14/32/72/415143272.db2.gz SOQOFIWBCGCMOS-UHFFFAOYSA-N 1 2 305.378 0.522 10 0 DCAELO C[C@@H](CNC(=O)c1ccc(CNC(N)=O)cc1)[NH+]1CCOCC1 ZINC000029957759 415177138 /nfs/dbraw/zinc/17/71/38/415177138.db2.gz RTORUIOCOMRFPX-LBPRGKRZSA-N 1 2 320.393 0.305 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@H]3CCCn4ncnc43)C[C@@H]21 ZINC000332760267 415464799 /nfs/dbraw/zinc/46/47/99/415464799.db2.gz QEFJKWHWPQUVEG-RWMBFGLXSA-N 1 2 320.397 0.228 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@H]3CCCn4ncnc43)C[C@@H]21 ZINC000332760267 415464803 /nfs/dbraw/zinc/46/48/03/415464803.db2.gz QEFJKWHWPQUVEG-RWMBFGLXSA-N 1 2 320.397 0.228 10 0 DCAELO Cc1nn(C)c(C)c1CCCNC(=O)NCC[NH+]1CCOCC1 ZINC000091532826 415537229 /nfs/dbraw/zinc/53/72/29/415537229.db2.gz GKPNHFPUWFCTMT-UHFFFAOYSA-N 1 2 323.441 0.601 10 0 DCAELO C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)CN2CCCC2=O)C1 ZINC000333077228 415549685 /nfs/dbraw/zinc/54/96/85/415549685.db2.gz WFSJDHWUVXKYDQ-CQSZACIVSA-N 1 2 309.410 0.178 10 0 DCAELO C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)CN2CCCC2=O)C1 ZINC000333077228 415549692 /nfs/dbraw/zinc/54/96/92/415549692.db2.gz WFSJDHWUVXKYDQ-CQSZACIVSA-N 1 2 309.410 0.178 10 0 DCAELO CCN(CC)C(=O)CCCNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000104790074 415626417 /nfs/dbraw/zinc/62/64/17/415626417.db2.gz WBDUHMYYWFPTLJ-CYBMUJFWSA-N 1 2 314.430 0.265 10 0 DCAELO CCN(CC)C(=O)CCCNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000104790074 415626424 /nfs/dbraw/zinc/62/64/24/415626424.db2.gz WBDUHMYYWFPTLJ-CYBMUJFWSA-N 1 2 314.430 0.265 10 0 DCAELO CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000333192568 415579597 /nfs/dbraw/zinc/57/95/97/415579597.db2.gz SLZSCTXFXRUQCL-RQJABVFESA-N 1 2 301.456 0.340 10 0 DCAELO CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000333192568 415579605 /nfs/dbraw/zinc/57/96/05/415579605.db2.gz SLZSCTXFXRUQCL-RQJABVFESA-N 1 2 301.456 0.340 10 0 DCAELO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(C(=O)OC)o2)C1 ZINC000107699813 415672946 /nfs/dbraw/zinc/67/29/46/415672946.db2.gz NQYVOAGTNHGVBT-SNVBAGLBSA-N 1 2 316.379 0.829 10 0 DCAELO CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(C(=O)OC)o2)C1 ZINC000107699813 415672953 /nfs/dbraw/zinc/67/29/53/415672953.db2.gz NQYVOAGTNHGVBT-SNVBAGLBSA-N 1 2 316.379 0.829 10 0 DCAELO CNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000109814821 415683195 /nfs/dbraw/zinc/68/31/95/415683195.db2.gz ZAQJDZLYVBQMMV-GFCCVEGCSA-N 1 2 304.350 0.179 10 0 DCAELO CNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000109814821 415683200 /nfs/dbraw/zinc/68/32/00/415683200.db2.gz ZAQJDZLYVBQMMV-GFCCVEGCSA-N 1 2 304.350 0.179 10 0 DCAELO Cc1noc(CCNc2cc(N3CCC[C@H]3CO)nc[nH+]2)n1 ZINC000112077866 415705479 /nfs/dbraw/zinc/70/54/79/415705479.db2.gz VRBXKKXOFXZLEA-NSHDSACASA-N 1 2 304.354 0.784 10 0 DCAELO Cc1noc(CCNc2cc(N3CCC[C@H]3CO)[nH+]cn2)n1 ZINC000112077866 415705485 /nfs/dbraw/zinc/70/54/85/415705485.db2.gz VRBXKKXOFXZLEA-NSHDSACASA-N 1 2 304.354 0.784 10 0 DCAELO Cn1cc(C(N)=O)cc1C(=O)NCCCNc1cccc[nH+]1 ZINC000119290318 415739063 /nfs/dbraw/zinc/73/90/63/415739063.db2.gz KYRXBWZEHDDAHN-UHFFFAOYSA-N 1 2 301.350 0.751 10 0 DCAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1ccc(Cl)c(F)c1 ZINC000122652741 415835800 /nfs/dbraw/zinc/83/58/00/415835800.db2.gz OHCGJBHIVFTLEO-LLVKDONJSA-N 1 2 316.760 0.902 10 0 DCAELO CN(C)S(=O)(=O)C[C@@H](NCc1[nH+]ccn1C)C(F)(F)F ZINC000336834308 415826054 /nfs/dbraw/zinc/82/60/54/415826054.db2.gz HUCMUVCADKDGHK-MRVPVSSYSA-N 1 2 314.333 0.332 10 0 DCAELO CC(=O)CCC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000337393488 415955846 /nfs/dbraw/zinc/95/58/46/415955846.db2.gz IHHIMJMLXRYYCD-LBPRGKRZSA-N 1 2 306.366 0.397 10 0 DCAELO CC(=O)[C@@H](C)CCCCC(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000344655193 415966126 /nfs/dbraw/zinc/96/61/26/415966126.db2.gz KGGCYSMUMYXJDD-ZDUSSCGKSA-N 1 2 311.426 0.710 10 0 DCAELO CC(=O)[C@@H](C)CCCCC(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000344655193 415966128 /nfs/dbraw/zinc/96/61/28/415966128.db2.gz KGGCYSMUMYXJDD-ZDUSSCGKSA-N 1 2 311.426 0.710 10 0 DCAELO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CCCS1(=O)=O ZINC000153556473 415982019 /nfs/dbraw/zinc/98/20/19/415982019.db2.gz WCYKQCGHTPCOBN-GJZGRUSLSA-N 1 2 324.446 0.853 10 0 DCAELO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@H]2CCCOC2)CC1 ZINC000172352600 416045132 /nfs/dbraw/zinc/04/51/32/416045132.db2.gz LAUUJJWZCMRVTH-JSGCOSHPSA-N 1 2 324.425 0.160 10 0 DCAELO Cc1noc(C)c1CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173792937 416065286 /nfs/dbraw/zinc/06/52/86/416065286.db2.gz SPZNQDHURHUVOR-CYBMUJFWSA-N 1 2 308.382 0.908 10 0 DCAELO COc1ccnc(N2CC[NH+]([C@@H](C)C(=O)N(C)C(C)C)CC2)n1 ZINC000175184056 416099886 /nfs/dbraw/zinc/09/98/86/416099886.db2.gz DRFGZVCDYOBTOG-ZDUSSCGKSA-N 1 2 321.425 0.863 10 0 DCAELO Cc1[nH+]c2ccccc2n1CCC(=O)N1CCOC[C@H]1C(N)=O ZINC000357588119 416100900 /nfs/dbraw/zinc/10/09/00/416100900.db2.gz XTCDXLJBKCGBNT-AWEZNQCLSA-N 1 2 316.361 0.448 10 0 DCAELO CC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@](O)(CO)C1 ZINC000313620593 416108138 /nfs/dbraw/zinc/10/81/38/416108138.db2.gz FBTPRSGHNQXNLR-MRXNPFEDSA-N 1 2 306.362 0.647 10 0 DCAELO CC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@](O)(CO)C1 ZINC000313620593 416108140 /nfs/dbraw/zinc/10/81/40/416108140.db2.gz FBTPRSGHNQXNLR-MRXNPFEDSA-N 1 2 306.362 0.647 10 0 DCAELO Cc1cccc(CNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)n1 ZINC000175699031 416112904 /nfs/dbraw/zinc/11/29/04/416112904.db2.gz BIGIWKVOJZDCDK-HNNXBMFYSA-N 1 2 322.409 0.225 10 0 DCAELO CN(C)C(=O)CC(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000176147581 416120646 /nfs/dbraw/zinc/12/06/46/416120646.db2.gz CMZHSMCREXEADF-UHFFFAOYSA-N 1 2 305.378 0.515 10 0 DCAELO CN(C[C@@H]1CCn2cc[nH+]c2C1)C(=O)Cn1ccccc1=O ZINC000328617634 416123800 /nfs/dbraw/zinc/12/38/00/416123800.db2.gz CYDFZIBIHYELPW-CYBMUJFWSA-N 1 2 300.362 0.766 10 0 DCAELO O=C([C@H]1CCCn2ccnc21)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000176459464 416125282 /nfs/dbraw/zinc/12/52/82/416125282.db2.gz SLGQMWDZEFLNGB-KGLIPLIRSA-N 1 2 304.394 0.694 10 0 DCAELO Cc1ccc(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c(C)n1 ZINC000176572694 416130175 /nfs/dbraw/zinc/13/01/75/416130175.db2.gz LFRHLDCOKINSIC-AWEZNQCLSA-N 1 2 307.394 0.464 10 0 DCAELO C[C@@H]1CCCN1S(=O)(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000328889127 416137796 /nfs/dbraw/zinc/13/77/96/416137796.db2.gz QPVDWPSMEVRGBZ-AGIUHOORSA-N 1 2 303.428 0.120 10 0 DCAELO C[C@@H]1CCCN1S(=O)(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000328889127 416137801 /nfs/dbraw/zinc/13/78/01/416137801.db2.gz QPVDWPSMEVRGBZ-AGIUHOORSA-N 1 2 303.428 0.120 10 0 DCAELO C[C@H]1C[N@H+](Cc2cc(=O)n3[nH]ccc3n2)C[C@@H]1N1CCOCC1 ZINC000177267462 416144111 /nfs/dbraw/zinc/14/41/11/416144111.db2.gz CGVJJUDUZYUURO-JSGCOSHPSA-N 1 2 317.393 0.175 10 0 DCAELO C[C@H]1C[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)C[C@@H]1N1CCOCC1 ZINC000177267462 416144114 /nfs/dbraw/zinc/14/41/14/416144114.db2.gz CGVJJUDUZYUURO-JSGCOSHPSA-N 1 2 317.393 0.175 10 0 DCAELO C[C@@H]1CN(CC(=O)NCc2ccco2)C[C@@H]1[NH+]1CCOCC1 ZINC000177274526 416144777 /nfs/dbraw/zinc/14/47/77/416144777.db2.gz VDDDHQAZAZUPLC-HIFRSBDPSA-N 1 2 307.394 0.548 10 0 DCAELO CO[C@@H](C)c1nc(C)c(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)s1 ZINC000178732232 416170990 /nfs/dbraw/zinc/17/09/90/416170990.db2.gz CXZFVAVOSLIGJU-NWDGAFQWSA-N 1 2 324.450 0.889 10 0 DCAELO O=C(NC[C@@H]1C[NH+]2CCN1CC2)C(=O)Nc1ccc(F)cc1F ZINC000178959124 416179294 /nfs/dbraw/zinc/17/92/94/416179294.db2.gz WREDGRHVRPPAST-LLVKDONJSA-N 1 2 324.331 0.019 10 0 DCAELO O=C(NC[C@@H]1C[NH+]2CCN1CC2)C(=O)Nc1c(F)cccc1F ZINC000178965850 416179816 /nfs/dbraw/zinc/17/98/16/416179816.db2.gz OLCBPIXCAUXXOG-SNVBAGLBSA-N 1 2 324.331 0.019 10 0 DCAELO Cc1cc(C)nc(SCC(=O)NC[C@@H]2C[NH+]3CCN2CC3)n1 ZINC000178969039 416179939 /nfs/dbraw/zinc/17/99/39/416179939.db2.gz SQJIGGOYLLECCL-CYBMUJFWSA-N 1 2 321.450 0.302 10 0 DCAELO O=c1nc(C[N@H+]2C[C@@H](O)C[C@@H]2CO)[nH]c2sc3c(c21)CCC3 ZINC000179169516 416182153 /nfs/dbraw/zinc/18/21/53/416182153.db2.gz CGNXZEAFTBSPLQ-BDAKNGLRSA-N 1 2 321.402 0.401 10 0 DCAELO O=c1nc(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)[nH]c2sc3c(c21)CCC3 ZINC000179169516 416182155 /nfs/dbraw/zinc/18/21/55/416182155.db2.gz CGNXZEAFTBSPLQ-BDAKNGLRSA-N 1 2 321.402 0.401 10 0 DCAELO COCCCOCC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000181126278 416204828 /nfs/dbraw/zinc/20/48/28/416204828.db2.gz LPFBNXULGJLKOU-UONOGXRCSA-N 1 2 300.399 0.219 10 0 DCAELO CCS(=O)(=O)C[C@H](C)NC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000358186445 416207606 /nfs/dbraw/zinc/20/76/06/416207606.db2.gz JCFVIMSNNTYYAH-ZDUSSCGKSA-N 1 2 317.455 0.761 10 0 DCAELO CCS(=O)(=O)C[C@H](C)NC(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000358186445 416207609 /nfs/dbraw/zinc/20/76/09/416207609.db2.gz JCFVIMSNNTYYAH-ZDUSSCGKSA-N 1 2 317.455 0.761 10 0 DCAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)N[C@@H](C)C(=O)NC(C)(C)C ZINC000184319382 416252030 /nfs/dbraw/zinc/25/20/30/416252030.db2.gz YQOHVBHCVZVWPK-STQMWFEESA-N 1 2 313.442 0.907 10 0 DCAELO CCCC[N@H+]1CCOC[C@H]1C(=O)N[C@@H](C)C(=O)NC(C)(C)C ZINC000184319382 416252032 /nfs/dbraw/zinc/25/20/32/416252032.db2.gz YQOHVBHCVZVWPK-STQMWFEESA-N 1 2 313.442 0.907 10 0 DCAELO Cc1cc(N2CC[NH+]([C@@H](C)C(=O)NC(=O)NC3CC3)CC2)n[nH]1 ZINC000187169151 416260085 /nfs/dbraw/zinc/26/00/85/416260085.db2.gz IVJDGXZOKHUQDU-NSHDSACASA-N 1 2 320.397 0.217 10 0 DCAELO Cc1ccc(F)cc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000190036157 416273223 /nfs/dbraw/zinc/27/32/23/416273223.db2.gz ZBXUKGIUSUBXSH-GFCCVEGCSA-N 1 2 323.368 0.598 10 0 DCAELO Cc1ccc(F)cc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000190036157 416273226 /nfs/dbraw/zinc/27/32/26/416273226.db2.gz ZBXUKGIUSUBXSH-GFCCVEGCSA-N 1 2 323.368 0.598 10 0 DCAELO Cc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c(F)c1 ZINC000190033109 416273446 /nfs/dbraw/zinc/27/34/46/416273446.db2.gz FPIABEAEUOJJHE-LBPRGKRZSA-N 1 2 323.368 0.598 10 0 DCAELO Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c(F)c1 ZINC000190033109 416273449 /nfs/dbraw/zinc/27/34/49/416273449.db2.gz FPIABEAEUOJJHE-LBPRGKRZSA-N 1 2 323.368 0.598 10 0 DCAELO C[C@H]1CN(C(=O)C(=O)Nc2cccc(F)c2)CC[N@@H+]1CCO ZINC000190043201 416273746 /nfs/dbraw/zinc/27/37/46/416273746.db2.gz SAWCKEPXWMQNDZ-NSHDSACASA-N 1 2 309.341 0.289 10 0 DCAELO C[C@H]1CN(C(=O)C(=O)Nc2cccc(F)c2)CC[N@H+]1CCO ZINC000190043201 416273750 /nfs/dbraw/zinc/27/37/50/416273750.db2.gz SAWCKEPXWMQNDZ-NSHDSACASA-N 1 2 309.341 0.289 10 0 DCAELO CCS(=O)(=O)N1CC[NH+](C[C@H](O)CC2CCCC2)CC1 ZINC000190492385 416279462 /nfs/dbraw/zinc/27/94/62/416279462.db2.gz JXBUMGKEBCPUOK-CQSZACIVSA-N 1 2 304.456 0.895 10 0 DCAELO CC(=O)[C@](C)(O)C[NH+]1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000331239701 416293631 /nfs/dbraw/zinc/29/36/31/416293631.db2.gz OADHOSQRVCCPFW-MRXNPFEDSA-N 1 2 306.362 0.490 10 0 DCAELO C[C@@H](C1CC1)n1nccc1NC(=O)C(=O)N1CC[NH+](C)CC1 ZINC000191982410 416293863 /nfs/dbraw/zinc/29/38/63/416293863.db2.gz HAMKDCYSHKUEGH-NSHDSACASA-N 1 2 305.382 0.567 10 0 DCAELO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCS1(=O)=O ZINC000247236786 416332574 /nfs/dbraw/zinc/33/25/74/416332574.db2.gz XHGUCYAIFWRYQR-CHWSQXEVSA-N 1 2 302.440 0.943 10 0 DCAELO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCS1(=O)=O ZINC000247236786 416332575 /nfs/dbraw/zinc/33/25/75/416332575.db2.gz XHGUCYAIFWRYQR-CHWSQXEVSA-N 1 2 302.440 0.943 10 0 DCAELO C[C@@H](CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)S(C)(=O)=O ZINC000533130078 416478364 /nfs/dbraw/zinc/47/83/64/416478364.db2.gz ITGBVOGDUFCEMG-JTQLQIEISA-N 1 2 314.411 0.732 10 0 DCAELO CN1CCN(C(=O)NCC[C@H]2CCCO2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000583615095 416479106 /nfs/dbraw/zinc/47/91/06/416479106.db2.gz PVXICSCHWCELEX-CHWSQXEVSA-N 1 2 307.398 0.977 10 0 DCAELO COc1cc2nc(NC[C@@H](O)C(F)F)[nH+]c(N)c2cc1OC ZINC000435598833 416526142 /nfs/dbraw/zinc/52/61/42/416526142.db2.gz TUKAVRCSJGUFSZ-MRVPVSSYSA-N 1 2 314.292 0.689 10 0 DCAELO CC1=CC[N@H+](CCNC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000545130439 416661917 /nfs/dbraw/zinc/66/19/17/416661917.db2.gz YGRYVZDYLFILOC-LBPRGKRZSA-N 1 2 301.412 0.125 10 0 DCAELO CC1=CC[N@@H+](CCNC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000545130439 416661921 /nfs/dbraw/zinc/66/19/21/416661921.db2.gz YGRYVZDYLFILOC-LBPRGKRZSA-N 1 2 301.412 0.125 10 0 DCAELO COC(=O)[C@](C)(O)C[N@@H+]1CCN(C)[C@@H](c2nc(C3CC3)no2)C1 ZINC000517054092 416776042 /nfs/dbraw/zinc/77/60/42/416776042.db2.gz SFUSVWOPPNEWRQ-IAQYHMDHSA-N 1 2 324.381 0.160 10 0 DCAELO COC(=O)[C@](C)(O)C[N@H+]1CCN(C)[C@@H](c2nc(C3CC3)no2)C1 ZINC000517054092 416776046 /nfs/dbraw/zinc/77/60/46/416776046.db2.gz SFUSVWOPPNEWRQ-IAQYHMDHSA-N 1 2 324.381 0.160 10 0 DCAELO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N2CCC[C@@H]2C2CCC2)C1 ZINC000631897293 416781958 /nfs/dbraw/zinc/78/19/58/416781958.db2.gz SNPQXMYZTZGHLW-ZIAGYGMSSA-N 1 2 302.440 0.911 10 0 DCAELO C[N@H+]1CCO[C@@H](CS(=O)(=O)N2CCC[C@@H]2C2CCC2)C1 ZINC000631897293 416781967 /nfs/dbraw/zinc/78/19/67/416781967.db2.gz SNPQXMYZTZGHLW-ZIAGYGMSSA-N 1 2 302.440 0.911 10 0 DCAELO CO[C@@H]1CN(C(=O)C2([NH+]3CCOCC3)CCCC2)C[C@@H]1OC ZINC000370518688 416896499 /nfs/dbraw/zinc/89/64/99/416896499.db2.gz RCLGVVRHYGZTRY-OKILXGFUSA-N 1 2 312.410 0.504 10 0 DCAELO CCN(C)C(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000521717870 417025651 /nfs/dbraw/zinc/02/56/51/417025651.db2.gz JNXCXBWESDJLAC-SNVBAGLBSA-N 1 2 317.349 0.256 10 0 DCAELO CC(=O)N1CCc2nc3cc([C@H]4CCC[NH2+]C4)[nH]n3c(=O)c2C1 ZINC000616576702 417080012 /nfs/dbraw/zinc/08/00/12/417080012.db2.gz XJVSKBOSOHEUEU-NSHDSACASA-N 1 2 315.377 0.807 10 0 DCAELO O=S(=O)(c1ccccc1)N1CC[NH2+]C[C@H]1c1ccncn1 ZINC000616604820 417083404 /nfs/dbraw/zinc/08/34/04/417083404.db2.gz OVYBYXWKWMHPFJ-AWEZNQCLSA-N 1 2 304.375 0.812 10 0 DCAELO Nc1ccc([C@H]2c3ccccc3CCN2S(N)(=O)=O)c[nH+]1 ZINC000616679617 417093491 /nfs/dbraw/zinc/09/34/91/417093491.db2.gz FWRQUCAMKDWLEH-AWEZNQCLSA-N 1 2 304.375 0.815 10 0 DCAELO COc1cc2c(cc1OC)C[N@H+](CC(=O)N(C)CC(N)=O)CC2 ZINC000448703539 417093953 /nfs/dbraw/zinc/09/39/53/417093953.db2.gz BRVWFFPOUHMLAI-UHFFFAOYSA-N 1 2 321.377 0.006 10 0 DCAELO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N(C)CC(N)=O)CC2 ZINC000448703539 417093962 /nfs/dbraw/zinc/09/39/62/417093962.db2.gz BRVWFFPOUHMLAI-UHFFFAOYSA-N 1 2 321.377 0.006 10 0 DCAELO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccnn1CC(F)(F)F ZINC000448905826 417107058 /nfs/dbraw/zinc/10/70/58/417107058.db2.gz CVKQKLAJWYSCTA-SNVBAGLBSA-N 1 2 320.315 0.896 10 0 DCAELO C[C@@H]1COCC[N@H+]1CCNC(=O)c1ccnn1CC(F)(F)F ZINC000448905826 417107066 /nfs/dbraw/zinc/10/70/66/417107066.db2.gz CVKQKLAJWYSCTA-SNVBAGLBSA-N 1 2 320.315 0.896 10 0 DCAELO COC(=O)C1(CNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000576565354 417618891 /nfs/dbraw/zinc/61/88/91/417618891.db2.gz HOGZDIVBNDBZOW-UHFFFAOYSA-N 1 2 316.317 0.342 10 0 DCAELO CC(=O)CCCC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000628579575 417657346 /nfs/dbraw/zinc/65/73/46/417657346.db2.gz YNDGAJPOVBVFGZ-MRXNPFEDSA-N 1 2 312.410 0.478 10 0 DCAELO CC(=O)CCCC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000628579575 417657351 /nfs/dbraw/zinc/65/73/51/417657351.db2.gz YNDGAJPOVBVFGZ-MRXNPFEDSA-N 1 2 312.410 0.478 10 0 DCAELO COCCN1CCCN(C(=O)NCCCn2cc[nH+]c2)CC1=O ZINC000188408011 261126935 /nfs/dbraw/zinc/12/69/35/261126935.db2.gz IWFFJFVEETUAKV-UHFFFAOYSA-N 1 2 323.397 0.164 10 0 DCAELO COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)N1CCn2cc[nH+]c2C1 ZINC000234609746 261154785 /nfs/dbraw/zinc/15/47/85/261154785.db2.gz SNODNBKQSNZXIS-WDEREUQCSA-N 1 2 313.379 0.370 10 0 DCAELO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000374103293 262157783 /nfs/dbraw/zinc/15/77/83/262157783.db2.gz ABEZBCXJNNQODN-MJBXVCDLSA-N 1 2 310.394 0.794 10 0 DCAELO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000374103293 262157785 /nfs/dbraw/zinc/15/77/85/262157785.db2.gz ABEZBCXJNNQODN-MJBXVCDLSA-N 1 2 310.394 0.794 10 0 DCAELO COC(=O)C(C)(C)N1CC[NH+]([C@@H](C)C(=O)N(C)C(C)C)CC1 ZINC000494395050 272221100 /nfs/dbraw/zinc/22/11/00/272221100.db2.gz TVJSIKRRGCCQSO-ZDUSSCGKSA-N 1 2 313.442 0.811 10 0 DCAELO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1CCN1CCCS1(=O)=O ZINC000532704335 272793260 /nfs/dbraw/zinc/79/32/60/272793260.db2.gz MKSIFUNIGHKZCS-LBPRGKRZSA-N 1 2 304.412 0.438 10 0 DCAELO CC(C)OC(=O)[C@@H]1CCC[N@H+]1CCN1CCCS1(=O)=O ZINC000532704335 272793262 /nfs/dbraw/zinc/79/32/62/272793262.db2.gz MKSIFUNIGHKZCS-LBPRGKRZSA-N 1 2 304.412 0.438 10 0 DCAELO C[C@@H]1C[N@@H+]([C@@H]2CCc3ccccc3NC2=O)CCN1CCO ZINC000364588043 274358962 /nfs/dbraw/zinc/35/89/62/274358962.db2.gz OLMKZJCWGGOELO-CZUORRHYSA-N 1 2 303.406 0.938 10 0 DCAELO C[C@@H]1C[N@H+]([C@@H]2CCc3ccccc3NC2=O)CCN1CCO ZINC000364588043 274358963 /nfs/dbraw/zinc/35/89/63/274358963.db2.gz OLMKZJCWGGOELO-CZUORRHYSA-N 1 2 303.406 0.938 10 0 DCAELO COC[C@](C)(O)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000531019862 287764748 /nfs/dbraw/zinc/76/47/48/287764748.db2.gz ASTOIJAIUPUYRL-INIZCTEOSA-N 1 2 303.362 0.945 10 0 DCAELO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCO[C@H]3CCCC[C@H]32)C1 ZINC000364744750 277043995 /nfs/dbraw/zinc/04/39/95/277043995.db2.gz KTBBSDYTZDDPFL-OAGGEKHMSA-N 1 2 323.437 0.757 10 0 DCAELO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCO[C@H]3CCCC[C@H]32)C1 ZINC000364744750 277043997 /nfs/dbraw/zinc/04/39/97/277043997.db2.gz KTBBSDYTZDDPFL-OAGGEKHMSA-N 1 2 323.437 0.757 10 0 DCAELO CC(=O)N1CCC[C@H](C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)C1 ZINC000247243908 278019538 /nfs/dbraw/zinc/01/95/38/278019538.db2.gz YFVCMFRXGYYCDH-VNQPRFMTSA-N 1 2 323.437 0.424 10 0 DCAELO O=C(CNC(=O)N[C@H]1CCn2cc[nH+]c2C1)NC1CCCCC1 ZINC000547630092 288063524 /nfs/dbraw/zinc/06/35/24/288063524.db2.gz JZPOTIQWSSNERE-ZDUSSCGKSA-N 1 2 319.409 0.946 10 0 DCAELO CCO[C@H]1C[C@@](NC(=O)Cc2c[nH+]cn2C)(C(=O)OC)C1(C)C ZINC000547728972 288073240 /nfs/dbraw/zinc/07/32/40/288073240.db2.gz MICVPVXPTLALSS-BLLLJJGKSA-N 1 2 323.393 0.826 10 0 DCAELO CN(C)C(=O)C1(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000548089065 288110340 /nfs/dbraw/zinc/11/03/40/288110340.db2.gz SKBQUEXVVBUGEN-LBPRGKRZSA-N 1 2 302.378 0.645 10 0 DCAELO Cn1cc2c(n1)CCC[C@@H]2NC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000548892245 288185258 /nfs/dbraw/zinc/18/52/58/288185258.db2.gz ZCCXNEQTPLESJS-NWANDNLSSA-N 1 2 319.409 0.522 10 0 DCAELO Cn1cc2c(n1)CCC[C@@H]2NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000548892245 288185262 /nfs/dbraw/zinc/18/52/62/288185262.db2.gz ZCCXNEQTPLESJS-NWANDNLSSA-N 1 2 319.409 0.522 10 0 DCAELO O=C(c1cnc2[nH]c(=O)[nH]c2c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000377625876 280228527 /nfs/dbraw/zinc/22/85/27/280228527.db2.gz JRUWDIXATJBYQT-LLVKDONJSA-N 1 2 317.349 0.210 10 0 DCAELO Cc1cc(CCNC(=O)NCC2([NH+]3CCOCC3)CC2)on1 ZINC000553750830 288306583 /nfs/dbraw/zinc/30/65/83/288306583.db2.gz IGSIKLRZOHNOMO-UHFFFAOYSA-N 1 2 308.382 0.690 10 0 DCAELO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC000329588812 289047290 /nfs/dbraw/zinc/04/72/90/289047290.db2.gz SKGOMNIVKXOCPK-DVOMOZLQSA-N 1 2 318.421 0.836 10 0 DCAELO C[N@@H+]1CCN(C(=O)[C@H]2CC23CCS(=O)(=O)CC3)C(C)(C)C1 ZINC000375113779 290024575 /nfs/dbraw/zinc/02/45/75/290024575.db2.gz LGZDJFULYPUEOL-GFCCVEGCSA-N 1 2 314.451 0.754 10 0 DCAELO C[N@H+]1CCN(C(=O)[C@H]2CC23CCS(=O)(=O)CC3)C(C)(C)C1 ZINC000375113779 290024576 /nfs/dbraw/zinc/02/45/76/290024576.db2.gz LGZDJFULYPUEOL-GFCCVEGCSA-N 1 2 314.451 0.754 10 0 DCAELO C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)c2cccc(=O)[nH]2)C1 ZINC000283680024 290076749 /nfs/dbraw/zinc/07/67/49/290076749.db2.gz RYXVVSAMDRBGNG-CYBMUJFWSA-N 1 2 305.378 0.970 10 0 DCAELO C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)c2cccc(=O)[nH]2)C1 ZINC000283680024 290076750 /nfs/dbraw/zinc/07/67/50/290076750.db2.gz RYXVVSAMDRBGNG-CYBMUJFWSA-N 1 2 305.378 0.970 10 0 DCAELO CN1C[C@H](C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CC1=O ZINC000110953133 290298614 /nfs/dbraw/zinc/29/86/14/290298614.db2.gz TTZIUSKVKVREGM-KGLIPLIRSA-N 1 2 309.410 0.178 10 0 DCAELO CNC(=O)[C@@H](NC(=O)NCc1ccc[nH+]c1N(C)C)C(C)C ZINC000178441813 290540068 /nfs/dbraw/zinc/54/00/68/290540068.db2.gz VUDDFTZELSHCFT-LBPRGKRZSA-N 1 2 307.398 0.717 10 0 DCAELO C[C@H](C(=O)N1CCSc2ccccc21)[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000408440585 298072951 /nfs/dbraw/zinc/07/29/51/298072951.db2.gz DHRPOYBDEYZVSC-WXHSDQCUSA-N 1 2 308.403 0.551 10 0 DCAELO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000352093690 298121468 /nfs/dbraw/zinc/12/14/68/298121468.db2.gz SQLBGRWZNCWUQO-UTUOFQBUSA-N 1 2 312.414 0.014 10 0 DCAELO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000352093690 298121469 /nfs/dbraw/zinc/12/14/69/298121469.db2.gz SQLBGRWZNCWUQO-UTUOFQBUSA-N 1 2 312.414 0.014 10 0 DCAELO NC(=O)N[C@H]1CC[N@@H+]([C@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000408024689 303281336 /nfs/dbraw/zinc/28/13/36/303281336.db2.gz FZWOIDMYARNXQI-IUCAKERBSA-N 1 2 308.304 0.282 10 0 DCAELO NC(=O)N[C@H]1CC[N@H+]([C@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000408024689 303281338 /nfs/dbraw/zinc/28/13/38/303281338.db2.gz FZWOIDMYARNXQI-IUCAKERBSA-N 1 2 308.304 0.282 10 0 DCAELO CS[C@H](C)CC(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000328634102 534028506 /nfs/dbraw/zinc/02/85/06/534028506.db2.gz MMUZOHSBGXOAMP-GHMZBOCLSA-N 1 2 303.428 0.822 10 0 DCAELO CS[C@H](C)CC(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000328634102 534028512 /nfs/dbraw/zinc/02/85/12/534028512.db2.gz MMUZOHSBGXOAMP-GHMZBOCLSA-N 1 2 303.428 0.822 10 0 DCAELO CCC(CC)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000246985711 521587015 /nfs/dbraw/zinc/58/70/15/521587015.db2.gz FUXWFSWFIISZBZ-ZYHUDNBSSA-N 1 2 305.444 0.303 10 0 DCAELO CCC(CC)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000246985711 521587020 /nfs/dbraw/zinc/58/70/20/521587020.db2.gz FUXWFSWFIISZBZ-ZYHUDNBSSA-N 1 2 305.444 0.303 10 0 DCAELO COc1ccc(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)cn1 ZINC000266134632 523669495 /nfs/dbraw/zinc/66/94/95/523669495.db2.gz DRMGOTXKQDKOJC-OCCSQVGLSA-N 1 2 305.378 0.883 10 0 DCAELO CCc1cc(=O)n2nc(N[C@H](C)[C@H]3C[N@H+](C)CCO3)sc2n1 ZINC000154811437 523743107 /nfs/dbraw/zinc/74/31/07/523743107.db2.gz LVVKNCJVMOZLBX-MWLCHTKSSA-N 1 2 323.422 0.844 10 0 DCAELO CCc1cc(=O)n2nc(N[C@H](C)[C@H]3C[N@@H+](C)CCO3)sc2n1 ZINC000154811437 523743115 /nfs/dbraw/zinc/74/31/15/523743115.db2.gz LVVKNCJVMOZLBX-MWLCHTKSSA-N 1 2 323.422 0.844 10 0 DCAELO CN1C[C@@H](NC(=O)NCCCNc2cccc[nH+]2)CCC1=O ZINC000126990438 524010412 /nfs/dbraw/zinc/01/04/12/524010412.db2.gz KANTVBHHDZJPRL-LBPRGKRZSA-N 1 2 305.382 0.804 10 0 DCAELO C[C@H](CNC(=O)N[C@H]1CCC[C@@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC000247329791 524428396 /nfs/dbraw/zinc/42/83/96/524428396.db2.gz JBOKRPHOCHNKCS-UPJWGTAASA-N 1 2 312.414 0.050 10 0 DCAELO C[C@@H]1CN(C(=O)c2cc(C(N)=O)cs2)C[C@H]1[NH+]1CCOCC1 ZINC000266264489 524852294 /nfs/dbraw/zinc/85/22/94/524852294.db2.gz YNGDOGPULLTEMW-ZYHUDNBSSA-N 1 2 323.418 0.640 10 0 DCAELO COc1cccc(CS(=O)(=O)N2CC[NH+](CCO)CC2)c1 ZINC000156212857 526064488 /nfs/dbraw/zinc/06/44/88/526064488.db2.gz SMGCIMALAYEURJ-UHFFFAOYSA-N 1 2 314.407 0.135 10 0 DCAELO CC[NH2+][C@@H](Cn1cc(I)cn1)C(=O)OC ZINC000070678576 545661514 /nfs/dbraw/zinc/66/15/14/545661514.db2.gz LKETUPSIYFEOPD-QMMMGPOBSA-N 1 2 323.134 0.639 10 0 DCAELO COc1c(C[N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)c(C)nn1C ZINC000154106312 545836086 /nfs/dbraw/zinc/83/60/86/545836086.db2.gz JVNORXNFMAHTDC-NSHDSACASA-N 1 2 316.427 0.251 10 0 DCAELO COc1c(C[N@H+]2CCC[C@H](NS(C)(=O)=O)C2)c(C)nn1C ZINC000154106312 545836091 /nfs/dbraw/zinc/83/60/91/545836091.db2.gz JVNORXNFMAHTDC-NSHDSACASA-N 1 2 316.427 0.251 10 0 DCAELO C[C@@H]1CC[C@@H](CCC(=O)NC[C@@H](O)C[NH+]2CCOCC2)O1 ZINC000245631559 545962061 /nfs/dbraw/zinc/96/20/61/545962061.db2.gz QEGAMNILBPMPBQ-MCIONIFRSA-N 1 2 300.399 0.143 10 0 DCAELO O=C(c1cn2ccccc2n1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000329756610 546055028 /nfs/dbraw/zinc/05/50/28/546055028.db2.gz YTBBDHMVDOBQOM-CYBMUJFWSA-N 1 2 300.362 0.881 10 0 DCAELO C[C@H]1CN(C(=O)c2ncnc3[nH]ccc32)C[C@@H]1[NH+]1CCOCC1 ZINC000669321489 546956117 /nfs/dbraw/zinc/95/61/17/546956117.db2.gz PYCMMWZOAOZPEB-AAEUAGOBSA-N 1 2 315.377 0.702 10 0 DCAELO C[C@H]1CN(Cc2cnc(NS(C)(=O)=O)s2)CC[C@H]1[NH3+] ZINC000725272289 548749911 /nfs/dbraw/zinc/74/99/11/548749911.db2.gz OOGLQWZBYBTIHF-WCBMZHEXSA-N 1 2 304.441 0.684 10 0 DCAELO C[C@@H](C(=O)NCCC1SCCS1)N1CC[NH2+]CC1=O ZINC000705736034 667370352 /nfs/dbraw/zinc/37/03/52/667370352.db2.gz JRWFYKOWNAMPQW-VIFPVBQESA-N 1 2 303.453 0.119 10 0 DCAELO C[C@@H](O)[C@H](O)C[NH2+]Cc1c(Cl)cccc1S(C)(=O)=O ZINC000717319367 667556458 /nfs/dbraw/zinc/55/64/58/667556458.db2.gz CMYQZBCIVSBEDL-LDYMZIIASA-N 1 2 307.799 0.575 10 0 DCAELO CC[S@](=O)CCNC(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000741074437 667758220 /nfs/dbraw/zinc/75/82/20/667758220.db2.gz MATRYJWVFDDZAT-YBTHPKLGSA-N 1 2 301.412 0.950 10 0 DCAELO CC[C@H]1CN(C(=O)c2cn(CC)nn2)C[C@@H]1[NH+]1CCOCC1 ZINC000933756115 669532843 /nfs/dbraw/zinc/53/28/43/669532843.db2.gz NPYXLMOPACLXFR-JSGCOSHPSA-N 1 2 307.398 0.481 10 0 DCAELO CCCN1C(=O)C(=O)N(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)C1=O ZINC000116258763 671029929 /nfs/dbraw/zinc/02/99/29/671029929.db2.gz NFOFJETUORRUSC-NSHDSACASA-N 1 2 319.365 0.368 10 0 DCAELO CCCN1C(=O)C(=O)N(C[N@H+]2CC[C@H](c3cnn(C)c3)C2)C1=O ZINC000116258763 671029932 /nfs/dbraw/zinc/02/99/32/671029932.db2.gz NFOFJETUORRUSC-NSHDSACASA-N 1 2 319.365 0.368 10 0 DCAELO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)CC2CCOCC2)CC1 ZINC000173861545 529510493 /nfs/dbraw/zinc/51/04/93/529510493.db2.gz YHTNXLQKOHVKHU-AWEZNQCLSA-N 1 2 320.455 0.131 10 0 DCAELO CN(C)c1noc(C[N@@H+]2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)n1 ZINC000299744409 282333499 /nfs/dbraw/zinc/33/34/99/282333499.db2.gz OQFBHZLZWPLAGM-RNFRBKRXSA-N 1 2 307.276 0.231 10 0 DCAELO CN(C)c1noc(C[N@H+]2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)n1 ZINC000299744409 282333502 /nfs/dbraw/zinc/33/35/02/282333502.db2.gz OQFBHZLZWPLAGM-RNFRBKRXSA-N 1 2 307.276 0.231 10 0 DCAELO Cc1cnn([C@H]2CCCN(C(=O)NC[C@@H]3C[N@H+](C)CCO3)C2)c1 ZINC000171907378 198005800 /nfs/dbraw/zinc/00/58/00/198005800.db2.gz ULUNYDMBDRVHBI-LSDHHAIUSA-N 1 2 321.425 0.869 10 0 DCAELO Cc1cnn([C@H]2CCCN(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)C2)c1 ZINC000171907378 198005802 /nfs/dbraw/zinc/00/58/02/198005802.db2.gz ULUNYDMBDRVHBI-LSDHHAIUSA-N 1 2 321.425 0.869 10 0 DCAELO C[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CCS1(=O)=O ZINC000172373742 198087512 /nfs/dbraw/zinc/08/75/12/198087512.db2.gz UPXYIWNPYZLIFF-UKRRQHHQSA-N 1 2 324.446 0.805 10 0 DCAELO Cc1cc(NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)no1 ZINC000173963172 198273997 /nfs/dbraw/zinc/27/39/97/198273997.db2.gz UXTMAKKZCLDQTM-ZYHUDNBSSA-N 1 2 322.365 0.101 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnn4c3CCCC4)C[C@H]21 ZINC000328871515 283029073 /nfs/dbraw/zinc/02/90/73/283029073.db2.gz DNIJWVXNQPPSNB-CABCVRRESA-N 1 2 304.394 0.765 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)c3cnn4c3CCCC4)C[C@H]21 ZINC000328871515 283029074 /nfs/dbraw/zinc/02/90/74/283029074.db2.gz DNIJWVXNQPPSNB-CABCVRRESA-N 1 2 304.394 0.765 10 0 DCAELO C[N@@H+]1CCc2nc(NC(=O)[C@H]3CCc4n[nH]nc4C3)sc2C1 ZINC000170240905 283176031 /nfs/dbraw/zinc/17/60/31/283176031.db2.gz JRCUHXRBSWPVSX-QMMMGPOBSA-N 1 2 318.406 0.993 10 0 DCAELO C[N@H+]1CCc2nc(NC(=O)[C@H]3CCc4n[nH]nc4C3)sc2C1 ZINC000170240905 283176036 /nfs/dbraw/zinc/17/60/36/283176036.db2.gz JRCUHXRBSWPVSX-QMMMGPOBSA-N 1 2 318.406 0.993 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccnn2C(C)(C)C)C1 ZINC000180684660 199196762 /nfs/dbraw/zinc/19/67/62/199196762.db2.gz APQDTIJLHHDMMB-NSHDSACASA-N 1 2 323.397 0.023 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccnn2C(C)(C)C)C1 ZINC000180684660 199196765 /nfs/dbraw/zinc/19/67/65/199196765.db2.gz APQDTIJLHHDMMB-NSHDSACASA-N 1 2 323.397 0.023 10 0 DCAELO CCCNC(=O)NC(=O)C[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000369542492 283376403 /nfs/dbraw/zinc/37/64/03/283376403.db2.gz UMXKLVJTCYULAQ-OAHLLOKOSA-N 1 2 313.398 0.492 10 0 DCAELO CCCNC(=O)NC(=O)C[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000369542492 283376406 /nfs/dbraw/zinc/37/64/06/283376406.db2.gz UMXKLVJTCYULAQ-OAHLLOKOSA-N 1 2 313.398 0.492 10 0 DCAELO CNC(=O)[C@H](NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1)C(C)C ZINC000187658857 200140607 /nfs/dbraw/zinc/14/06/07/200140607.db2.gz DSZFPJRETLOEJG-ZIAGYGMSSA-N 1 2 311.426 0.374 10 0 DCAELO CNC(=O)[C@H](NC(=O)[C@H]1COCC[N@H+]1CC1CCC1)C(C)C ZINC000187658857 200140609 /nfs/dbraw/zinc/14/06/09/200140609.db2.gz DSZFPJRETLOEJG-ZIAGYGMSSA-N 1 2 311.426 0.374 10 0 DCAELO COCCCCS(=O)(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000188099876 237367654 /nfs/dbraw/zinc/36/76/54/237367654.db2.gz PWIKSGCJIQJHSF-UHFFFAOYSA-N 1 2 308.444 0.443 10 0 DCAELO COCCCCS(=O)(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000188099876 237367663 /nfs/dbraw/zinc/36/76/63/237367663.db2.gz PWIKSGCJIQJHSF-UHFFFAOYSA-N 1 2 308.444 0.443 10 0 DCAELO C[C@]1(C(=O)N2CC[NH+](Cc3ccco3)CC2)CCC(=O)NC1 ZINC000281164178 216125080 /nfs/dbraw/zinc/12/50/80/216125080.db2.gz HGPONVWXAYKNQC-INIZCTEOSA-N 1 2 305.378 0.840 10 0 DCAELO Cn1cc(CNC(=O)N(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)cn1 ZINC000276422055 238321482 /nfs/dbraw/zinc/32/14/82/238321482.db2.gz LKFCMMYMRBDAMJ-HNNXBMFYSA-N 1 2 321.425 0.672 10 0 DCAELO Cn1cc(CNC(=O)N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)cn1 ZINC000276422055 238321485 /nfs/dbraw/zinc/32/14/85/238321485.db2.gz LKFCMMYMRBDAMJ-HNNXBMFYSA-N 1 2 321.425 0.672 10 0 DCAELO Cc1n[nH]cc1CNC(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000276571101 238325812 /nfs/dbraw/zinc/32/58/12/238325812.db2.gz TUOWVZYSAXLEQG-HNNXBMFYSA-N 1 2 321.425 0.970 10 0 DCAELO Cc1n[nH]cc1CNC(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000276571101 238325818 /nfs/dbraw/zinc/32/58/18/238325818.db2.gz TUOWVZYSAXLEQG-HNNXBMFYSA-N 1 2 321.425 0.970 10 0 DCAELO O=C(C[N@@H+]1CCc2n[nH]cc2C1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000270557868 291250725 /nfs/dbraw/zinc/25/07/25/291250725.db2.gz RNMYFRGRSFNRKS-HUUCEWRRSA-N 1 2 304.394 0.938 10 0 DCAELO O=C(C[N@H+]1CCc2n[nH]cc2C1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000270557868 291250726 /nfs/dbraw/zinc/25/07/26/291250726.db2.gz RNMYFRGRSFNRKS-HUUCEWRRSA-N 1 2 304.394 0.938 10 0 DCAELO COC[C@H](NC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1)C1CC1 ZINC000275406340 212314621 /nfs/dbraw/zinc/31/46/21/212314621.db2.gz BJEQFHVZCWDYHR-KBPBESRZSA-N 1 2 321.425 0.843 10 0 DCAELO O=C(NC[C@@H]1CCC(F)(F)C1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000572871450 291595074 /nfs/dbraw/zinc/59/50/74/291595074.db2.gz ABPCPOUFJXTMHG-LLVKDONJSA-N 1 2 315.364 0.845 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)NCCc2nc3ccccc3[nH]2)C1 ZINC000104778987 194038459 /nfs/dbraw/zinc/03/84/59/194038459.db2.gz MTRHNJOPOJZZDO-LBPRGKRZSA-N 1 2 317.393 0.735 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)NCCc2nc3ccccc3[nH]2)C1 ZINC000104778987 194038460 /nfs/dbraw/zinc/03/84/60/194038460.db2.gz MTRHNJOPOJZZDO-LBPRGKRZSA-N 1 2 317.393 0.735 10 0 DCAELO CC(=O)Nc1cccc(CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000104787026 194039981 /nfs/dbraw/zinc/03/99/81/194039981.db2.gz QUWMXIJHSAUBSU-OAHLLOKOSA-N 1 2 320.393 0.775 10 0 DCAELO CC(=O)Nc1cccc(CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000104787026 194039983 /nfs/dbraw/zinc/03/99/83/194039983.db2.gz QUWMXIJHSAUBSU-OAHLLOKOSA-N 1 2 320.393 0.775 10 0 DCAELO CN(C)C(=O)CCNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046943507 183574243 /nfs/dbraw/zinc/57/42/43/183574243.db2.gz NYSLLDFIYGDQIY-UHFFFAOYSA-N 1 2 319.409 0.828 10 0 DCAELO C[C@@H](NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)C1CCCC1 ZINC000175784714 533105655 /nfs/dbraw/zinc/10/56/55/533105655.db2.gz YDGBIEBFTFZJEM-HIFRSBDPSA-N 1 2 313.442 0.900 10 0 DCAELO CNC(=O)[C@@H]1C[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@H]2[N@@H+]1C ZINC000248026848 257112029 /nfs/dbraw/zinc/11/20/29/257112029.db2.gz JVIQYBVHPLCVFC-FPMFFAJLSA-N 1 2 323.418 0.126 10 0 DCAELO CNC(=O)[C@@H]1C[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@H]2[N@H+]1C ZINC000248026848 257112031 /nfs/dbraw/zinc/11/20/31/257112031.db2.gz JVIQYBVHPLCVFC-FPMFFAJLSA-N 1 2 323.418 0.126 10 0 DCAELO Cc1cc(C[N@@H+]2C[C@@H]3OC[C@@H](C(=O)N4CCCO4)[C@@H]3C2)no1 ZINC000247933996 257114533 /nfs/dbraw/zinc/11/45/33/257114533.db2.gz RLEGISILUIYSNW-MJBXVCDLSA-N 1 2 307.350 0.594 10 0 DCAELO Cc1cc(C[N@H+]2C[C@@H]3OC[C@@H](C(=O)N4CCCO4)[C@@H]3C2)no1 ZINC000247933996 257114535 /nfs/dbraw/zinc/11/45/35/257114535.db2.gz RLEGISILUIYSNW-MJBXVCDLSA-N 1 2 307.350 0.594 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc4c(c3)OCO4)C[C@@H]21 ZINC000283936591 131034725 /nfs/dbraw/zinc/03/47/25/131034725.db2.gz FLKBRMANVVIJRD-QWHCGFSZSA-N 1 2 304.346 0.960 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc4c(c3)OCO4)C[C@@H]21 ZINC000283936591 131034726 /nfs/dbraw/zinc/03/47/26/131034726.db2.gz FLKBRMANVVIJRD-QWHCGFSZSA-N 1 2 304.346 0.960 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)CNC(=O)c3cccs3)C[C@@H]21 ZINC000283958028 131036570 /nfs/dbraw/zinc/03/65/70/131036570.db2.gz GIHKTYVWNFEMRD-RYUDHWBXSA-N 1 2 323.418 0.409 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)CNC(=O)c3cccs3)C[C@@H]21 ZINC000283958028 131036571 /nfs/dbraw/zinc/03/65/71/131036571.db2.gz GIHKTYVWNFEMRD-RYUDHWBXSA-N 1 2 323.418 0.409 10 0 DCAELO C[C@H](NC(=O)c1ccco1)C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000284167689 131055610 /nfs/dbraw/zinc/05/56/10/131055610.db2.gz RJCVDRUYYSTJCF-AVGNSLFASA-N 1 2 321.377 0.329 10 0 DCAELO C[C@H](NC(=O)c1ccco1)C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000284167689 131055611 /nfs/dbraw/zinc/05/56/11/131055611.db2.gz RJCVDRUYYSTJCF-AVGNSLFASA-N 1 2 321.377 0.329 10 0 DCAELO COC[C@@H]1CN(c2nc3c(cnn3C)c(N)[nH+]2)CC(C)(C)O1 ZINC000285090734 131137729 /nfs/dbraw/zinc/13/77/29/131137729.db2.gz QEGWISTWIWSMOK-VIFPVBQESA-N 1 2 306.370 0.576 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCCc3ccncc3)C[C@@H]21 ZINC000285450419 131169696 /nfs/dbraw/zinc/16/96/96/131169696.db2.gz JLEFFANPBSXLLS-LSDHHAIUSA-N 1 2 304.394 0.739 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCCc3ccncc3)C[C@@H]21 ZINC000285450419 131169697 /nfs/dbraw/zinc/16/96/97/131169697.db2.gz JLEFFANPBSXLLS-LSDHHAIUSA-N 1 2 304.394 0.739 10 0 DCAELO COc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1N ZINC000020506054 395691324 /nfs/dbraw/zinc/69/13/24/395691324.db2.gz NDOOUDPAUAOKGO-UHFFFAOYSA-N 1 2 310.379 0.843 10 0 DCAELO NC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC000028174027 395695736 /nfs/dbraw/zinc/69/57/36/395695736.db2.gz SASMOSFNBCTOHH-GFCCVEGCSA-N 1 2 307.419 0.830 10 0 DCAELO NC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC000028174027 395695737 /nfs/dbraw/zinc/69/57/37/395695737.db2.gz SASMOSFNBCTOHH-GFCCVEGCSA-N 1 2 307.419 0.830 10 0 DCAELO C[C@H](CNC(=O)NC[C@H](O)Cc1ccccc1)[NH+]1CCOCC1 ZINC000103853779 395775445 /nfs/dbraw/zinc/77/54/45/395775445.db2.gz QUKBHRDNSFDYTA-GDBMZVCRSA-N 1 2 321.421 0.610 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(-n3ccnc3)nc2)C1 ZINC000194723728 395805548 /nfs/dbraw/zinc/80/55/48/395805548.db2.gz SBHSPGBOGBJPKI-CYBMUJFWSA-N 1 2 301.350 0.328 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)c2ccc(-n3ccnc3)nc2)C1 ZINC000194723728 395805552 /nfs/dbraw/zinc/80/55/52/395805552.db2.gz SBHSPGBOGBJPKI-CYBMUJFWSA-N 1 2 301.350 0.328 10 0 DCAELO CCc1cccc(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000118115418 395860376 /nfs/dbraw/zinc/86/03/76/395860376.db2.gz ZJBBVBRPKKBHHT-AWEZNQCLSA-N 1 2 305.378 0.634 10 0 DCAELO CCc1cccc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000118115418 395860378 /nfs/dbraw/zinc/86/03/78/395860378.db2.gz ZJBBVBRPKKBHHT-AWEZNQCLSA-N 1 2 305.378 0.634 10 0 DCAELO CC(C)[C@@H](NC(N)=O)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000194558846 395799494 /nfs/dbraw/zinc/79/94/94/395799494.db2.gz IJCUXLKCDXZOGR-GFCCVEGCSA-N 1 2 316.365 0.576 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC(=O)Nc3ccccc32)C1 ZINC000194613674 395801238 /nfs/dbraw/zinc/80/12/38/395801238.db2.gz QWJJUDXEUQDNMD-WCQYABFASA-N 1 2 303.362 0.559 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC(=O)Nc3ccccc32)C1 ZINC000194613674 395801241 /nfs/dbraw/zinc/80/12/41/395801241.db2.gz QWJJUDXEUQDNMD-WCQYABFASA-N 1 2 303.362 0.559 10 0 DCAELO C=C1c2ccccc2C(=O)N1CC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000194614754 395801456 /nfs/dbraw/zinc/80/14/56/395801456.db2.gz GSPLHWUOSPWTEQ-CYBMUJFWSA-N 1 2 315.373 0.560 10 0 DCAELO C=C1c2ccccc2C(=O)N1CC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000194614754 395801460 /nfs/dbraw/zinc/80/14/60/395801460.db2.gz GSPLHWUOSPWTEQ-CYBMUJFWSA-N 1 2 315.373 0.560 10 0 DCAELO COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)NCCn1cc[nH+]c1 ZINC000234582156 395889568 /nfs/dbraw/zinc/88/95/68/395889568.db2.gz ZIZYLYJIWFHPIB-QWRGUYRKSA-N 1 2 301.368 0.144 10 0 DCAELO C[N@@H+]1CCc2ncnc(N3CC[C@H](NC(=O)NC4CC4)C3)c2C1 ZINC000273572098 395931146 /nfs/dbraw/zinc/93/11/46/395931146.db2.gz AISWECYEKSANDI-LBPRGKRZSA-N 1 2 316.409 0.505 10 0 DCAELO C[N@H+]1CCc2ncnc(N3CC[C@H](NC(=O)NC4CC4)C3)c2C1 ZINC000273572098 395931149 /nfs/dbraw/zinc/93/11/49/395931149.db2.gz AISWECYEKSANDI-LBPRGKRZSA-N 1 2 316.409 0.505 10 0 DCAELO CN1CC[N@H+](C[C@@H](O)COCc2ccc(Cl)cc2)CC1=O ZINC000119437075 395870766 /nfs/dbraw/zinc/87/07/66/395870766.db2.gz DDSSUJAMTFZINA-CQSZACIVSA-N 1 2 312.797 0.992 10 0 DCAELO CN1CC[N@@H+](C[C@@H](O)COCc2ccc(Cl)cc2)CC1=O ZINC000119437075 395870769 /nfs/dbraw/zinc/87/07/69/395870769.db2.gz DDSSUJAMTFZINA-CQSZACIVSA-N 1 2 312.797 0.992 10 0 DCAELO CCc1ccc(C[NH+]2CCN(CC(=O)N3CCOCC3)CC2)o1 ZINC000119966595 395880100 /nfs/dbraw/zinc/88/01/00/395880100.db2.gz NMAKOORPWZLMLX-UHFFFAOYSA-N 1 2 321.421 0.818 10 0 DCAELO COC(=O)[C@@H](C)CN(C)c1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000245605663 395933563 /nfs/dbraw/zinc/93/35/63/395933563.db2.gz MGMXVORZAVXGTI-RYUDHWBXSA-N 1 2 308.382 0.683 10 0 DCAELO COC(=O)[C@@H](C)CN(C)c1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000245605663 395933565 /nfs/dbraw/zinc/93/35/65/395933565.db2.gz MGMXVORZAVXGTI-RYUDHWBXSA-N 1 2 308.382 0.683 10 0 DCAELO C[C@@H](NS(=O)(=O)N1CCC[C@@H](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000245931755 395938091 /nfs/dbraw/zinc/93/80/91/395938091.db2.gz ZFZIRIKLYTUCHD-MCIONIFRSA-N 1 2 319.471 0.662 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCCC[C@H]2c2cn[nH]c2)C1 ZINC000245942069 395939073 /nfs/dbraw/zinc/93/90/73/395939073.db2.gz JXYCFUBGSSPIDR-KBPBESRZSA-N 1 2 307.398 0.977 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)N2CCCC[C@H]2c2cn[nH]c2)C1 ZINC000245942069 395939075 /nfs/dbraw/zinc/93/90/75/395939075.db2.gz JXYCFUBGSSPIDR-KBPBESRZSA-N 1 2 307.398 0.977 10 0 DCAELO CCS(=O)(=O)NCC[N@@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC ZINC000246043445 395940414 /nfs/dbraw/zinc/94/04/14/395940414.db2.gz SEAWOEMSBVFWRZ-UPJWGTAASA-N 1 2 318.439 0.732 10 0 DCAELO CCS(=O)(=O)NCC[N@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC ZINC000246043445 395940417 /nfs/dbraw/zinc/94/04/17/395940417.db2.gz SEAWOEMSBVFWRZ-UPJWGTAASA-N 1 2 318.439 0.732 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2CCCc3[nH]ncc32)C[C@H]1C ZINC000246085184 395940882 /nfs/dbraw/zinc/94/08/82/395940882.db2.gz IGGCJJURGPMFDL-AGIUHOORSA-N 1 2 306.410 0.743 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2CCCc3[nH]ncc32)C[C@H]1C ZINC000246085184 395940885 /nfs/dbraw/zinc/94/08/85/395940885.db2.gz IGGCJJURGPMFDL-AGIUHOORSA-N 1 2 306.410 0.743 10 0 DCAELO CC(C)OCCS(=O)(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000246609912 395954065 /nfs/dbraw/zinc/95/40/65/395954065.db2.gz WSRRWTULHJAHDE-UONOGXRCSA-N 1 2 320.455 0.394 10 0 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SDAGVPGSXKJNBQ-UHFFFAOYSA-N 1 2 301.354 0.336 10 0 DCAELO CCc1ncc2c(n1)CN(c1cc(NCCO)nc(N)[nH+]1)C2 ZINC000067774471 396033463 /nfs/dbraw/zinc/03/34/63/396033463.db2.gz SDAGVPGSXKJNBQ-UHFFFAOYSA-N 1 2 301.354 0.336 10 0 DCAELO COc1ccccc1NCC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000068396222 396054404 /nfs/dbraw/zinc/05/44/04/396054404.db2.gz ZOVJIVLBFFGRCX-ZDUSSCGKSA-N 1 2 307.394 0.944 10 0 DCAELO C[C@@H]1CCN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)CC[S@]1=O ZINC000277231552 396056928 /nfs/dbraw/zinc/05/69/28/396056928.db2.gz SWAOWZFJLPYFPI-GPAUDHNESA-N 1 2 324.450 0.785 10 0 DCAELO C[C@@H]1CCN(c2cc(N3CCC[C@H]3CO)nc[nH+]2)CC[S@]1=O ZINC000277231552 396056929 /nfs/dbraw/zinc/05/69/29/396056929.db2.gz SWAOWZFJLPYFPI-GPAUDHNESA-N 1 2 324.450 0.785 10 0 DCAELO CC[C@H](C)NC(=O)[C@H](C)NC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000068629824 396060910 /nfs/dbraw/zinc/06/09/10/396060910.db2.gz NQFBMVRSQFKCJM-XQQFMLRXSA-N 1 2 314.430 0.310 10 0 DCAELO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)C1 ZINC000070694035 396103202 /nfs/dbraw/zinc/10/32/02/396103202.db2.gz KTBBSDYTZDDPFL-PMPSAXMXSA-N 1 2 323.437 0.757 10 0 DCAELO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCO[C@H]3CCCC[C@@H]32)C1 ZINC000070694035 396103207 /nfs/dbraw/zinc/10/32/07/396103207.db2.gz KTBBSDYTZDDPFL-PMPSAXMXSA-N 1 2 323.437 0.757 10 0 DCAELO O=C(NCCCn1cc[nH+]c1)N1CCN(c2cccnn2)CC1 ZINC000171002280 396103376 /nfs/dbraw/zinc/10/33/76/396103376.db2.gz CVLXLGZADRCIHR-UHFFFAOYSA-N 1 2 315.381 0.595 10 0 DCAELO C[C@H](CNC(=O)NCCCc1cnn(C)c1)[NH+]1CCOCC1 ZINC000171331316 396114489 /nfs/dbraw/zinc/11/44/89/396114489.db2.gz ZNCFBWIRXLCLDS-CYBMUJFWSA-N 1 2 309.414 0.373 10 0 DCAELO Cc1ncc(C[NH+]2CCN(C(=O)[C@@H]3COCCO3)CC2)s1 ZINC000171863095 396126732 /nfs/dbraw/zinc/12/67/32/396126732.db2.gz BNGCQGNJDUPTMR-ZDUSSCGKSA-N 1 2 311.407 0.511 10 0 DCAELO CCOCCS(=O)(=O)N1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC000172263973 396130459 /nfs/dbraw/zinc/13/04/59/396130459.db2.gz UPCITEHTCRQPRG-ZDUSSCGKSA-N 1 2 308.444 0.395 10 0 DCAELO CCOCCS(=O)(=O)N1CC[N@@H+](CCOC)[C@@H](CC)C1 ZINC000172263973 396130462 /nfs/dbraw/zinc/13/04/62/396130462.db2.gz UPCITEHTCRQPRG-ZDUSSCGKSA-N 1 2 308.444 0.395 10 0 DCAELO O=C(Nc1ccc(F)nc1)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000162017884 396078121 /nfs/dbraw/zinc/07/81/21/396078121.db2.gz YGZJXWCSJKFXND-LBPRGKRZSA-N 1 2 322.340 0.092 10 0 DCAELO Cc1cc(=O)n(C)cc1NC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000176332689 396153624 /nfs/dbraw/zinc/15/36/24/396153624.db2.gz XSBFVBOTLLBNBR-LBPRGKRZSA-N 1 2 308.382 0.536 10 0 DCAELO Cc1ccc(NC(=O)N2CC[C@H](NS(C)(=O)=O)C2)c(C)[nH+]1 ZINC000176763546 396160996 /nfs/dbraw/zinc/16/09/96/396160996.db2.gz ZQNAKTKLKGHOHT-NSHDSACASA-N 1 2 312.395 0.854 10 0 DCAELO C[C@H]1CN(Cc2cn3cccnc3n2)C[C@@H]1[NH+]1CCOCC1 ZINC000177230609 396169865 /nfs/dbraw/zinc/16/98/65/396169865.db2.gz AJUDANLRIVVWKV-ZFWWWQNUSA-N 1 2 301.394 0.882 10 0 DCAELO C[C@@H]1CN(CC(=O)N(C)c2nccs2)C[C@@H]1[NH+]1CCOCC1 ZINC000177235270 396170226 /nfs/dbraw/zinc/17/02/26/396170226.db2.gz 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ZINC000080067977 396274533 /nfs/dbraw/zinc/27/45/33/396274533.db2.gz NDXSYHZNHWIRLM-UHFFFAOYSA-N 1 2 306.414 0.650 10 0 DCAELO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1CO)Nc1nc(-c2ccco2)cs1 ZINC000185183250 396320964 /nfs/dbraw/zinc/32/09/64/396320964.db2.gz AILAUZVSZUHMEY-ZJUUUORDSA-N 1 2 323.374 0.769 10 0 DCAELO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1CO)Nc1nc(-c2ccco2)cs1 ZINC000185183250 396320968 /nfs/dbraw/zinc/32/09/68/396320968.db2.gz AILAUZVSZUHMEY-ZJUUUORDSA-N 1 2 323.374 0.769 10 0 DCAELO C[C@H](NC(N)=O)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000283194274 396317864 /nfs/dbraw/zinc/31/78/64/396317864.db2.gz FZVLIEMVMSAYMI-RYUDHWBXSA-N 1 2 319.409 0.982 10 0 DCAELO COc1cc(N2CC[NH+]([C@@H](C)C(=O)NC(C)(C)C)CC2)ncn1 ZINC000184068804 396283784 /nfs/dbraw/zinc/28/37/84/396283784.db2.gz WJUWSNJMKQLERB-LBPRGKRZSA-N 1 2 321.425 0.910 10 0 DCAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)NCc1cccc(C(N)=O)c1 ZINC000184241659 396289291 /nfs/dbraw/zinc/28/92/91/396289291.db2.gz ZZQUMTPPZFEWNW-HNNXBMFYSA-N 1 2 319.405 0.903 10 0 DCAELO CCCC[N@H+]1CCOC[C@H]1C(=O)NCc1cccc(C(N)=O)c1 ZINC000184241659 396289294 /nfs/dbraw/zinc/28/92/94/396289294.db2.gz ZZQUMTPPZFEWNW-HNNXBMFYSA-N 1 2 319.405 0.903 10 0 DCAELO C[C@H]1CN(C(=O)CCCCc2c[nH]nn2)C[C@@H]1[NH+]1CCOCC1 ZINC000184829605 396308043 /nfs/dbraw/zinc/30/80/43/396308043.db2.gz DXMLXQZKDGHKAI-ZFWWWQNUSA-N 1 2 321.425 0.697 10 0 DCAELO C[C@H]1CN(C(=O)CCCCc2cn[nH]n2)C[C@@H]1[NH+]1CCOCC1 ZINC000184829605 396308047 /nfs/dbraw/zinc/30/80/47/396308047.db2.gz DXMLXQZKDGHKAI-ZFWWWQNUSA-N 1 2 321.425 0.697 10 0 DCAELO O=C(CC[N@@H+]1CCN(c2cccs2)C(=O)C1)N1CCOCC1 ZINC000186110276 396341277 /nfs/dbraw/zinc/34/12/77/396341277.db2.gz QDJQHHSQRVZFCE-UHFFFAOYSA-N 1 2 323.418 0.646 10 0 DCAELO O=C(CC[N@H+]1CCN(c2cccs2)C(=O)C1)N1CCOCC1 ZINC000186110276 396341278 /nfs/dbraw/zinc/34/12/78/396341278.db2.gz QDJQHHSQRVZFCE-UHFFFAOYSA-N 1 2 323.418 0.646 10 0 DCAELO O=C([C@@H]1CCNC(=O)C1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186400442 396349324 /nfs/dbraw/zinc/34/93/24/396349324.db2.gz AHUXKPWHPFTMBH-CYBMUJFWSA-N 1 2 302.378 0.647 10 0 DCAELO CC(=O)N1CC(C(=O)N2CCCN(c3cccc[nH+]3)CC2)C1 ZINC000188660410 396384389 /nfs/dbraw/zinc/38/43/89/396384389.db2.gz FLAOEWQGQRXXLL-UHFFFAOYSA-N 1 2 302.378 0.599 10 0 DCAELO C[C@H]1CN(C(=O)c2cccc(C[S@](C)=O)c2)CC[N@@H+]1CCO ZINC000188794761 396386646 /nfs/dbraw/zinc/38/66/46/396386646.db2.gz DNFMGKLJFBGEBU-XMHCIUCPSA-N 1 2 324.446 0.704 10 0 DCAELO C[C@H]1CN(C(=O)c2cccc(C[S@](C)=O)c2)CC[N@H+]1CCO ZINC000188794761 396386648 /nfs/dbraw/zinc/38/66/48/396386648.db2.gz DNFMGKLJFBGEBU-XMHCIUCPSA-N 1 2 324.446 0.704 10 0 DCAELO COc1cccc(CN(C)C(=O)C[N@@H+]2CCCNC(=O)[C@H]2C)c1 ZINC000189331592 396394499 /nfs/dbraw/zinc/39/44/99/396394499.db2.gz LAGWPJJJOYLULK-CYBMUJFWSA-N 1 2 319.405 0.864 10 0 DCAELO COc1cccc(CN(C)C(=O)C[N@H+]2CCCNC(=O)[C@H]2C)c1 ZINC000189331592 396394502 /nfs/dbraw/zinc/39/45/02/396394502.db2.gz LAGWPJJJOYLULK-CYBMUJFWSA-N 1 2 319.405 0.864 10 0 DCAELO COc1cc(N2CC[NH+](C[C@H](O)CC(F)(F)F)CC2)ncn1 ZINC000189977272 396401275 /nfs/dbraw/zinc/40/12/75/396401275.db2.gz CHMPAHQGBKYMAG-SNVBAGLBSA-N 1 2 320.315 0.921 10 0 DCAELO COc1ccc(CN(C)C(=O)C[N@@H+]2CCCN(C)C(=O)C2)cc1 ZINC000191100812 396415940 /nfs/dbraw/zinc/41/59/40/396415940.db2.gz FHQWFQNHWSHDRA-UHFFFAOYSA-N 1 2 319.405 0.818 10 0 DCAELO COc1ccc(CN(C)C(=O)C[N@H+]2CCCN(C)C(=O)C2)cc1 ZINC000191100812 396415941 /nfs/dbraw/zinc/41/59/41/396415941.db2.gz FHQWFQNHWSHDRA-UHFFFAOYSA-N 1 2 319.405 0.818 10 0 DCAELO CN(C)c1[nH+]cccc1CNC(=O)N1CCCN(C)C(=O)C1 ZINC000191942478 396427633 /nfs/dbraw/zinc/42/76/33/396427633.db2.gz YAIPGTLVIOJIBQ-UHFFFAOYSA-N 1 2 305.382 0.521 10 0 DCAELO CCOC1CC(CNC(=O)N[C@H]2C[C@H]2C)([NH+]2CCOCC2)C1 ZINC000192476153 396431540 /nfs/dbraw/zinc/43/15/40/396431540.db2.gz UPMUAODAOGDJGZ-RXFTYZNJSA-N 1 2 311.426 0.964 10 0 DCAELO O=S(=O)(CC[N@H+]1C[C@H](O)C[C@@H]1CO)c1ccc(F)cc1 ZINC000192712378 396435590 /nfs/dbraw/zinc/43/55/90/396435590.db2.gz VJWDORNDIZVZDF-VXGBXAGGSA-N 1 2 303.355 0.027 10 0 DCAELO O=S(=O)(CC[N@@H+]1C[C@H](O)C[C@@H]1CO)c1ccc(F)cc1 ZINC000192712378 396435592 /nfs/dbraw/zinc/43/55/92/396435592.db2.gz VJWDORNDIZVZDF-VXGBXAGGSA-N 1 2 303.355 0.027 10 0 DCAELO Cc1cc(C)nc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000193283756 396448193 /nfs/dbraw/zinc/44/81/93/396448193.db2.gz DNPCDHUKIYVUMD-GFCCVEGCSA-N 1 2 306.366 0.084 10 0 DCAELO Cc1cc(C)nc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000193283756 396448196 /nfs/dbraw/zinc/44/81/96/396448196.db2.gz DNPCDHUKIYVUMD-GFCCVEGCSA-N 1 2 306.366 0.084 10 0 DCAELO CCn1ncnc1C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000193299861 396449046 /nfs/dbraw/zinc/44/90/46/396449046.db2.gz UQKLZPQJBMQUHW-CYBMUJFWSA-N 1 2 307.398 0.369 10 0 DCAELO CCn1ncnc1C[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000193299861 396449047 /nfs/dbraw/zinc/44/90/47/396449047.db2.gz UQKLZPQJBMQUHW-CYBMUJFWSA-N 1 2 307.398 0.369 10 0 DCAELO Cn1nnc(CN2CC[NH+](Cc3cnn(C(C)(C)C)c3)CC2)n1 ZINC000193355442 396449551 /nfs/dbraw/zinc/44/95/51/396449551.db2.gz ZKTHZCFQBBXNRY-UHFFFAOYSA-N 1 2 318.429 0.479 10 0 DCAELO O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CC(n2ccnn2)C1 ZINC000373593655 396602251 /nfs/dbraw/zinc/60/22/51/396602251.db2.gz MSEZTZKCWNMXON-AWEZNQCLSA-N 1 2 305.382 0.305 10 0 DCAELO O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CC(n2ccnn2)C1 ZINC000373593655 396602255 /nfs/dbraw/zinc/60/22/55/396602255.db2.gz MSEZTZKCWNMXON-AWEZNQCLSA-N 1 2 305.382 0.305 10 0 DCAELO COC[C@@H]1CN(c2cc(N3CCC[C@H]3CO)nc[nH+]2)C[C@H](C)O1 ZINC000302546563 396720765 /nfs/dbraw/zinc/72/07/65/396720765.db2.gz IZDVOGFYRILCQA-IHRRRGAJSA-N 1 2 322.409 0.678 10 0 DCAELO COC[C@@H]1CN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)C[C@H](C)O1 ZINC000302546563 396720766 /nfs/dbraw/zinc/72/07/66/396720766.db2.gz IZDVOGFYRILCQA-IHRRRGAJSA-N 1 2 322.409 0.678 10 0 DCAELO CN(C[C@@H]1CCn2cc[nH+]c2C1)C(=O)CN1CCCCC1=O ZINC000328643243 396828736 /nfs/dbraw/zinc/82/87/36/396828736.db2.gz YRCRZFTZRNNFAA-CYBMUJFWSA-N 1 2 304.394 0.916 10 0 DCAELO C[C@@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329170175 396840581 /nfs/dbraw/zinc/84/05/81/396840581.db2.gz JZIARGNAFOQMQS-RWMBFGLXSA-N 1 2 300.424 0.506 10 0 DCAELO C[C@@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329170175 396840588 /nfs/dbraw/zinc/84/05/88/396840588.db2.gz JZIARGNAFOQMQS-RWMBFGLXSA-N 1 2 300.424 0.506 10 0 DCAELO C[C@@]12CC[N@H+](CC(=O)NCC(=O)N3CCCC3)C[C@@H]1C2(F)F ZINC000333032793 396916257 /nfs/dbraw/zinc/91/62/57/396916257.db2.gz QOPIAGOJZLVOKC-SMDDNHRTSA-N 1 2 315.364 0.702 10 0 DCAELO C[C@@]12CC[N@@H+](CC(=O)NCC(=O)N3CCCC3)C[C@@H]1C2(F)F ZINC000333032793 396916264 /nfs/dbraw/zinc/91/62/64/396916264.db2.gz QOPIAGOJZLVOKC-SMDDNHRTSA-N 1 2 315.364 0.702 10 0 DCAELO COCCN1CC(=O)N([C@H]2CCCN(c3cccc[nH+]3)C2)C1=O ZINC000378515631 397250534 /nfs/dbraw/zinc/25/05/34/397250534.db2.gz GWZINZFMDAIUBB-ZDUSSCGKSA-N 1 2 318.377 0.961 10 0 DCAELO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC000364902206 397247083 /nfs/dbraw/zinc/24/70/83/397247083.db2.gz NUFVAEKODGDULR-LPWJVIDDSA-N 1 2 301.408 0.695 10 0 DCAELO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC000364902206 397247086 /nfs/dbraw/zinc/24/70/86/397247086.db2.gz NUFVAEKODGDULR-LPWJVIDDSA-N 1 2 301.408 0.695 10 0 DCAELO Cc1cc[nH+]cc1N1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)CC1 ZINC000407961586 397337711 /nfs/dbraw/zinc/33/77/11/397337711.db2.gz ILRLRYYKBGZHID-CYBMUJFWSA-N 1 2 302.378 0.517 10 0 DCAELO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000408189818 397349185 /nfs/dbraw/zinc/34/91/85/397349185.db2.gz QJSRJCCTJHHFMK-KCJUWKMLSA-N 1 2 311.304 0.610 10 0 DCAELO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000408189818 397349188 /nfs/dbraw/zinc/34/91/88/397349188.db2.gz QJSRJCCTJHHFMK-KCJUWKMLSA-N 1 2 311.304 0.610 10 0 DCAELO CCOC(=O)c1ncc(C[NH+]2CCC(O)(CO)CC2)s1 ZINC000602889542 397514036 /nfs/dbraw/zinc/51/40/36/397514036.db2.gz SMNPGRAAICGOGT-UHFFFAOYSA-N 1 2 300.380 0.639 10 0 DCAELO COc1cccc(CNC(=O)[C@@H](C)[N@@H+]2CCNC(=O)CC2)c1 ZINC000068334228 158041755 /nfs/dbraw/zinc/04/17/55/158041755.db2.gz QQLHHXUPUUVUDK-GFCCVEGCSA-N 1 2 305.378 0.522 10 0 DCAELO COc1cccc(CNC(=O)[C@@H](C)[N@H+]2CCNC(=O)CC2)c1 ZINC000068334228 158041757 /nfs/dbraw/zinc/04/17/57/158041757.db2.gz QQLHHXUPUUVUDK-GFCCVEGCSA-N 1 2 305.378 0.522 10 0 DCAELO CCCC[C@H](NC(N)=O)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000068521453 158043611 /nfs/dbraw/zinc/04/36/11/158043611.db2.gz GYRXJZRRNXVFEH-NEPJUHHUSA-N 1 2 300.403 0.050 10 0 DCAELO Cc1cc(N)nc(SCCn2nc3ccccn3c2=O)[nH+]1 ZINC000074233117 158058034 /nfs/dbraw/zinc/05/80/34/158058034.db2.gz IZNAKEJWAVCYIP-UHFFFAOYSA-N 1 2 302.363 0.969 10 0 DCAELO C[C@H](C(=O)Nc1ncccn1)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000105898594 158132628 /nfs/dbraw/zinc/13/26/28/158132628.db2.gz BEIQXDZCGYTNBN-NEPJUHHUSA-N 1 2 301.354 0.732 10 0 DCAELO C[C@H](C(=O)Nc1ncccn1)[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000105898594 158132629 /nfs/dbraw/zinc/13/26/29/158132629.db2.gz BEIQXDZCGYTNBN-NEPJUHHUSA-N 1 2 301.354 0.732 10 0 DCAELO CCOC(=O)CN(C)C(=O)C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000111212584 158139746 /nfs/dbraw/zinc/13/97/46/158139746.db2.gz KHEDFJGPYAVYQF-UHFFFAOYSA-N 1 2 308.382 0.611 10 0 DCAELO CCN1C[C@@H](C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CC1=O ZINC000110956120 158139786 /nfs/dbraw/zinc/13/97/86/158139786.db2.gz PBEZDXHWKDEONL-GJZGRUSLSA-N 1 2 323.437 0.568 10 0 DCAELO C[C@@H](NC(=O)C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1)C(=O)N(C)C ZINC000114482421 158154172 /nfs/dbraw/zinc/15/41/72/158154172.db2.gz GHXLSBLUXPHMJA-DGCLKSJQSA-N 1 2 307.398 0.530 10 0 DCAELO C[C@@H](NC(=O)C[N@H+]1CCCC[C@@H]1c1cn[nH]c1)C(=O)N(C)C ZINC000114482421 158154175 /nfs/dbraw/zinc/15/41/75/158154175.db2.gz GHXLSBLUXPHMJA-DGCLKSJQSA-N 1 2 307.398 0.530 10 0 DCAELO CC(C)(C)CCNC(=O)C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116889637 158167019 /nfs/dbraw/zinc/16/70/19/158167019.db2.gz FLKRTGVUPOPFQW-NSHDSACASA-N 1 2 305.444 0.162 10 0 DCAELO CC(C)(C)CCNC(=O)C[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116889637 158167021 /nfs/dbraw/zinc/16/70/21/158167021.db2.gz FLKRTGVUPOPFQW-NSHDSACASA-N 1 2 305.444 0.162 10 0 DCAELO CCOCC[N@@H+]1CCN(S(=O)(=O)N(CC)CC)C[C@H]1C ZINC000117368698 158172197 /nfs/dbraw/zinc/17/21/97/158172197.db2.gz NXRGTBMIBYWOKD-CYBMUJFWSA-N 1 2 307.460 0.616 10 0 DCAELO CCOCC[N@H+]1CCN(S(=O)(=O)N(CC)CC)C[C@H]1C ZINC000117368698 158172199 /nfs/dbraw/zinc/17/21/99/158172199.db2.gz NXRGTBMIBYWOKD-CYBMUJFWSA-N 1 2 307.460 0.616 10 0 DCAELO COCC[N@@H+]1CCN(CCCS(=O)(=O)C(C)C)C[C@H]1C ZINC000120024408 158192279 /nfs/dbraw/zinc/19/22/79/158192279.db2.gz VFWSQVNDMVTXMO-CQSZACIVSA-N 1 2 306.472 0.852 10 0 DCAELO COCC[N@H+]1CCN(CCCS(=O)(=O)C(C)C)C[C@H]1C ZINC000120024408 158192281 /nfs/dbraw/zinc/19/22/81/158192281.db2.gz VFWSQVNDMVTXMO-CQSZACIVSA-N 1 2 306.472 0.852 10 0 DCAELO CC(C)C[C@H](NC(N)=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000120119861 158193142 /nfs/dbraw/zinc/19/31/42/158193142.db2.gz HWMXHBKQGWVKEZ-OLZOCXBDSA-N 1 2 319.409 0.860 10 0 DCAELO C[C@@H](CNC(=O)NCCNC(=O)C(C)(C)C)[NH+]1CCOCC1 ZINC000120869468 158205553 /nfs/dbraw/zinc/20/55/53/158205553.db2.gz MRDZJIIMMRHHCT-LBPRGKRZSA-N 1 2 314.430 0.169 10 0 DCAELO Cn1cc(C(N)=O)cc1C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000121027573 158206902 /nfs/dbraw/zinc/20/69/02/158206902.db2.gz HTRGNLLLSJFASW-CYBMUJFWSA-N 1 2 320.393 0.061 10 0 DCAELO C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+]1CCNC(=O)CC1 ZINC000126165311 158262067 /nfs/dbraw/zinc/26/20/67/158262067.db2.gz NSIZCQNFOCJASR-JTQLQIEISA-N 1 2 322.340 0.684 10 0 DCAELO C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+]1CCNC(=O)CC1 ZINC000126165311 158262068 /nfs/dbraw/zinc/26/20/68/158262068.db2.gz NSIZCQNFOCJASR-JTQLQIEISA-N 1 2 322.340 0.684 10 0 DCAELO CC(=O)Nc1nc(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cs1 ZINC000127531397 158274629 /nfs/dbraw/zinc/27/46/29/158274629.db2.gz GBWYRGMBTBGBIB-LLVKDONJSA-N 1 2 324.406 0.695 10 0 DCAELO CC(=O)Nc1nc(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cs1 ZINC000127531397 158274632 /nfs/dbraw/zinc/27/46/32/158274632.db2.gz GBWYRGMBTBGBIB-LLVKDONJSA-N 1 2 324.406 0.695 10 0 DCAELO CN1CC[C@H](NC(=O)N2CCCN(c3cccc[nH+]3)CC2)C1=O ZINC000129235978 158285745 /nfs/dbraw/zinc/28/57/45/158285745.db2.gz GGLDWFPSUGDUGD-ZDUSSCGKSA-N 1 2 317.393 0.534 10 0 DCAELO CC(C)Cn1cc[nH+]c1CNC(=O)CN(C)S(C)(=O)=O ZINC000131224355 158301192 /nfs/dbraw/zinc/30/11/92/158301192.db2.gz KBNVMNXYNMORIM-UHFFFAOYSA-N 1 2 302.400 0.047 10 0 DCAELO Cc1c(CCC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cnn1C ZINC000134813450 158331176 /nfs/dbraw/zinc/33/11/76/158331176.db2.gz LHEYGDWPWYEEJG-HNNXBMFYSA-N 1 2 306.410 0.641 10 0 DCAELO Cc1c(CCC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cnn1C ZINC000134813450 158331177 /nfs/dbraw/zinc/33/11/77/158331177.db2.gz LHEYGDWPWYEEJG-HNNXBMFYSA-N 1 2 306.410 0.641 10 0 DCAELO C[C@@H]([NH2+]CC(=O)N1CCOCC1)c1cn(-c2ccccc2)nn1 ZINC000183357984 158498618 /nfs/dbraw/zinc/49/86/18/158498618.db2.gz KGRUUWIGHNHVCP-CYBMUJFWSA-N 1 2 315.377 0.777 10 0 DCAELO O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCC(N2CCCCC2=O)CC1 ZINC000263079053 158855678 /nfs/dbraw/zinc/85/56/78/158855678.db2.gz XHRJSLXNXWDJAI-LBPRGKRZSA-N 1 2 315.364 0.987 10 0 DCAELO O=C(CN1CCCCCC1=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000328648620 159017818 /nfs/dbraw/zinc/01/78/18/159017818.db2.gz AJYUJEOOCOMPQF-HNNXBMFYSA-N 1 2 316.405 0.957 10 0 DCAELO CO[C@@H](C(=O)N1CC[NH2+][C@H](c2cccnc2)C1)c1cnn(C)c1 ZINC000328660928 159017885 /nfs/dbraw/zinc/01/78/85/159017885.db2.gz WEWBMZKEAZHDQC-LSDHHAIUSA-N 1 2 315.377 0.676 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)CSc3nncs3)C[C@@H]21 ZINC000328915036 159040909 /nfs/dbraw/zinc/04/09/09/159040909.db2.gz QOUFYDRYHDLTGT-VHSXEESVSA-N 1 2 314.436 0.562 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)CSc3nncs3)C[C@@H]21 ZINC000328915036 159040911 /nfs/dbraw/zinc/04/09/11/159040911.db2.gz QOUFYDRYHDLTGT-VHSXEESVSA-N 1 2 314.436 0.562 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)COc3ccc(O)cc3)C[C@H]21 ZINC000328932288 159042697 /nfs/dbraw/zinc/04/26/97/159042697.db2.gz DHXKFUZBFZUAFT-CABCVRRESA-N 1 2 306.362 0.703 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)COc3ccc(O)cc3)C[C@H]21 ZINC000328932288 159042700 /nfs/dbraw/zinc/04/27/00/159042700.db2.gz DHXKFUZBFZUAFT-CABCVRRESA-N 1 2 306.362 0.703 10 0 DCAELO Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000328990882 159050243 /nfs/dbraw/zinc/05/02/43/159050243.db2.gz VHSUCOIBCKADER-AAVRWANBSA-N 1 2 320.393 0.039 10 0 DCAELO Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000328990882 159050244 /nfs/dbraw/zinc/05/02/44/159050244.db2.gz VHSUCOIBCKADER-AAVRWANBSA-N 1 2 320.393 0.039 10 0 DCAELO C[C@@H]1CCCN(C(=O)C[N@@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)C1 ZINC000329159059 159068847 /nfs/dbraw/zinc/06/88/47/159068847.db2.gz DQXZDQUPKRLOEM-FRRDWIJNSA-N 1 2 300.424 0.364 10 0 DCAELO C[C@@H]1CCCN(C(=O)C[N@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)C1 ZINC000329159059 159068848 /nfs/dbraw/zinc/06/88/48/159068848.db2.gz DQXZDQUPKRLOEM-FRRDWIJNSA-N 1 2 300.424 0.364 10 0 DCAELO O=C(c1cnn2ccncc12)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000329307676 159081397 /nfs/dbraw/zinc/08/13/97/159081397.db2.gz ZFIJNNLPZJVTJK-UHFFFAOYSA-N 1 2 311.349 0.410 10 0 DCAELO CO[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C[C@H]1OC ZINC000329526092 159100320 /nfs/dbraw/zinc/10/03/20/159100320.db2.gz SXOLPEWBPHMBTG-RBSFLKMASA-N 1 2 312.410 0.360 10 0 DCAELO CO[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C[C@H]1OC ZINC000329526092 159100323 /nfs/dbraw/zinc/10/03/23/159100323.db2.gz SXOLPEWBPHMBTG-RBSFLKMASA-N 1 2 312.410 0.360 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CN(C(=O)[C@H]3CCO[C@@H]3c3cccnc3)C[C@@H]21 ZINC000329591437 159105843 /nfs/dbraw/zinc/10/58/43/159105843.db2.gz UDGDQZRBVWQDOK-CAOSSQGBSA-N 1 2 317.389 0.701 10 0 DCAELO C[N@H+]1CCO[C@@H]2CN(C(=O)[C@H]3CCO[C@@H]3c3cccnc3)C[C@@H]21 ZINC000329591437 159105844 /nfs/dbraw/zinc/10/58/44/159105844.db2.gz UDGDQZRBVWQDOK-CAOSSQGBSA-N 1 2 317.389 0.701 10 0 DCAELO CC(=O)N1CCC[C@@H]1C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000329618802 159107429 /nfs/dbraw/zinc/10/74/29/159107429.db2.gz GHANPIMNTYKAFI-CFVMTHIKSA-N 1 2 309.410 0.176 10 0 DCAELO CC(C)n1nnnc1C[N@@H+]1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000329646571 159109417 /nfs/dbraw/zinc/10/94/17/159109417.db2.gz IZKMVDOEKXGKEO-SNVBAGLBSA-N 1 2 318.385 0.456 10 0 DCAELO CC(C)n1nnnc1C[N@H+]1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000329646571 159109419 /nfs/dbraw/zinc/10/94/19/159109419.db2.gz IZKMVDOEKXGKEO-SNVBAGLBSA-N 1 2 318.385 0.456 10 0 DCAELO C[C@@H](CC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)N1CCCCC1=O ZINC000329935276 159130498 /nfs/dbraw/zinc/13/04/98/159130498.db2.gz QXBDBVLPYMRSIS-LSDHHAIUSA-N 1 2 323.437 0.711 10 0 DCAELO O=C(N[C@@H]1CCO[C@H]1C1CC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000332759523 159213549 /nfs/dbraw/zinc/21/35/49/159213549.db2.gz UYCZHTWPWWVJMK-ZNMIVQPWSA-N 1 2 309.410 0.670 10 0 DCAELO CC(C)NC(=O)CCNC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000408016662 160011812 /nfs/dbraw/zinc/01/18/12/160011812.db2.gz MGFXTPMQSKKTGR-CHWSQXEVSA-N 1 2 312.414 0.016 10 0 DCAELO CC(C)NC(=O)CCNC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000408016662 160011815 /nfs/dbraw/zinc/01/18/15/160011815.db2.gz MGFXTPMQSKKTGR-CHWSQXEVSA-N 1 2 312.414 0.016 10 0 DCAELO COC[C@H]1C[N@H+](CCN2CCCS2(=O)=O)CC(C)(C)O1 ZINC000408027709 160015635 /nfs/dbraw/zinc/01/56/35/160015635.db2.gz AYNUJYQCCHAFCR-GFCCVEGCSA-N 1 2 306.428 0.148 10 0 DCAELO COC[C@H]1C[N@@H+](CCN2CCCS2(=O)=O)CC(C)(C)O1 ZINC000408027709 160015636 /nfs/dbraw/zinc/01/56/36/160015636.db2.gz AYNUJYQCCHAFCR-GFCCVEGCSA-N 1 2 306.428 0.148 10 0 DCAELO O=C(C[N@H+]1CCOC[C@@H]1[C@H]1CCCC[C@H]1O)N1CCOCC1 ZINC000408043029 160020879 /nfs/dbraw/zinc/02/08/79/160020879.db2.gz IYRXTPOUTNFOPB-RBSFLKMASA-N 1 2 312.410 0.097 10 0 DCAELO O=C(C[N@@H+]1CCOC[C@@H]1[C@H]1CCCC[C@H]1O)N1CCOCC1 ZINC000408043029 160020883 /nfs/dbraw/zinc/02/08/83/160020883.db2.gz IYRXTPOUTNFOPB-RBSFLKMASA-N 1 2 312.410 0.097 10 0 DCAELO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CCO[C@@H](CO)C1 ZINC000408041105 160020958 /nfs/dbraw/zinc/02/09/58/160020958.db2.gz FJPBKLIXUCGUPC-MGPQQGTHSA-N 1 2 305.378 0.374 10 0 DCAELO C[C@H]1C[N@H+](C)CCN1C(=O)CCS(=O)(=O)C1CCCC1 ZINC000408113167 160038622 /nfs/dbraw/zinc/03/86/22/160038622.db2.gz QNVBLXCAYDOMKW-LBPRGKRZSA-N 1 2 302.440 0.896 10 0 DCAELO C[C@H]1C[N@@H+](C)CCN1C(=O)CCS(=O)(=O)C1CCCC1 ZINC000408113167 160038625 /nfs/dbraw/zinc/03/86/25/160038625.db2.gz QNVBLXCAYDOMKW-LBPRGKRZSA-N 1 2 302.440 0.896 10 0 DCAELO C[C@@H](Sc1nnnn1C1CC1)C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000408113705 160038705 /nfs/dbraw/zinc/03/87/05/160038705.db2.gz UOCYIOMXLNKVSE-NXEZZACHSA-N 1 2 310.427 0.651 10 0 DCAELO C[C@@H](Sc1nnnn1C1CC1)C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000408113705 160038707 /nfs/dbraw/zinc/03/87/07/160038707.db2.gz UOCYIOMXLNKVSE-NXEZZACHSA-N 1 2 310.427 0.651 10 0 DCAELO CC(=O)N1CCC[C@@H](C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000408150949 160048312 /nfs/dbraw/zinc/04/83/12/160048312.db2.gz NRDWHCFOUANLNR-CQSZACIVSA-N 1 2 319.409 0.312 10 0 DCAELO CCC(=O)N[C@@H]1CCC[N@H+](CC(=O)N2C[C@H](C)O[C@@H](C)C2)C1 ZINC000408152276 160049162 /nfs/dbraw/zinc/04/91/62/160049162.db2.gz YOTUHKJXDWIWRW-MELADBBJSA-N 1 2 311.426 0.613 10 0 DCAELO CCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N2C[C@H](C)O[C@@H](C)C2)C1 ZINC000408152276 160049164 /nfs/dbraw/zinc/04/91/64/160049164.db2.gz YOTUHKJXDWIWRW-MELADBBJSA-N 1 2 311.426 0.613 10 0 DCAELO O=C([C@@H]1CC(=O)N(CC(F)(F)F)C1)N1CCn2cc[nH+]c2C1 ZINC000408163132 160050159 /nfs/dbraw/zinc/05/01/59/160050159.db2.gz BPJCVDHVCOZIBQ-SECBINFHSA-N 1 2 316.283 0.636 10 0 DCAELO CS(=O)(=O)N[C@@H]1CC[N@H+](CC(=O)NC2CCCCCC2)C1 ZINC000408184767 160055422 /nfs/dbraw/zinc/05/54/22/160055422.db2.gz ZQZRBXKGLRWVSO-CYBMUJFWSA-N 1 2 317.455 0.449 10 0 DCAELO CS(=O)(=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CCCCCC2)C1 ZINC000408184767 160055424 /nfs/dbraw/zinc/05/54/24/160055424.db2.gz ZQZRBXKGLRWVSO-CYBMUJFWSA-N 1 2 317.455 0.449 10 0 DCAELO CCCNS(=O)(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000408363022 160092556 /nfs/dbraw/zinc/09/25/56/160092556.db2.gz SXCSRJINRGOUJD-CYBMUJFWSA-N 1 2 305.444 0.418 10 0 DCAELO CC(C)(C)[C@@H]1C[N@H+](CC(=O)N2CCC[C@@H](C(N)=O)C2)CCO1 ZINC000408453366 160111568 /nfs/dbraw/zinc/11/15/68/160111568.db2.gz UCIIAZAPMMEKPD-OLZOCXBDSA-N 1 2 311.426 0.457 10 0 DCAELO CC(C)(C)[C@@H]1C[N@@H+](CC(=O)N2CCC[C@@H](C(N)=O)C2)CCO1 ZINC000408453366 160111570 /nfs/dbraw/zinc/11/15/70/160111570.db2.gz UCIIAZAPMMEKPD-OLZOCXBDSA-N 1 2 311.426 0.457 10 0 DCAELO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)[C@@H]2CCO[C@H](C)C2)CC1 ZINC000408459561 160112516 /nfs/dbraw/zinc/11/25/16/160112516.db2.gz IXNFRVUVZWUBCS-MGPQQGTHSA-N 1 2 320.455 0.272 10 0 DCAELO C[C@H](NC(=O)C[N@@H+]1C[C@@H]2C[C@H]1CS2)C(=O)N1CCCCC1 ZINC000408467682 160114834 /nfs/dbraw/zinc/11/48/34/160114834.db2.gz OEUXVRBXZAIPRR-AVGNSLFASA-N 1 2 311.451 0.693 10 0 DCAELO C[C@H](NC(=O)C[N@H+]1C[C@@H]2C[C@H]1CS2)C(=O)N1CCCCC1 ZINC000408467682 160114837 /nfs/dbraw/zinc/11/48/37/160114837.db2.gz OEUXVRBXZAIPRR-AVGNSLFASA-N 1 2 311.451 0.693 10 0 DCAELO CC(=O)CCC(C)(C)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000133206764 287009639 /nfs/dbraw/zinc/00/96/39/287009639.db2.gz XSFTYBNEJHPPBS-CQSZACIVSA-N 1 2 314.426 0.533 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)CC2CCOCC2)C[C@@H]1C ZINC000246034716 287075381 /nfs/dbraw/zinc/07/53/81/287075381.db2.gz AQUXLGOIYLKZLK-STQMWFEESA-N 1 2 320.455 0.130 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)CC2CCOCC2)C[C@@H]1C ZINC000246034716 287075382 /nfs/dbraw/zinc/07/53/82/287075382.db2.gz AQUXLGOIYLKZLK-STQMWFEESA-N 1 2 320.455 0.130 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)N[C@H]2CCOC2)nc[nH+]1 ZINC000246515252 287084896 /nfs/dbraw/zinc/08/48/96/287084896.db2.gz IOCLEDOJNZQUDH-RYUDHWBXSA-N 1 2 320.397 0.575 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)N[C@H]2CCOC2)[nH+]cn1 ZINC000246515252 287084898 /nfs/dbraw/zinc/08/48/98/287084898.db2.gz IOCLEDOJNZQUDH-RYUDHWBXSA-N 1 2 320.397 0.575 10 0 DCAELO CC(=O)N[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(CC(F)(F)F)C2=O)C1 ZINC000248831374 287102023 /nfs/dbraw/zinc/10/20/23/287102023.db2.gz HMWVLNAIFCKXOW-UWVGGRQHSA-N 1 2 321.299 0.277 10 0 DCAELO CC(=O)N[C@H]1CCC[N@H+]([C@H]2CC(=O)N(CC(F)(F)F)C2=O)C1 ZINC000248831374 287102028 /nfs/dbraw/zinc/10/20/28/287102028.db2.gz HMWVLNAIFCKXOW-UWVGGRQHSA-N 1 2 321.299 0.277 10 0 DCAELO CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000375116621 287227171 /nfs/dbraw/zinc/22/71/71/287227171.db2.gz WHHQQBDAQGAWNK-SWLSCSKDSA-N 1 2 313.398 0.348 10 0 DCAELO CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000375116621 287227173 /nfs/dbraw/zinc/22/71/73/287227173.db2.gz WHHQQBDAQGAWNK-SWLSCSKDSA-N 1 2 313.398 0.348 10 0 DCAELO Cn1ccc(NC(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)n1 ZINC000490917854 412472752 /nfs/dbraw/zinc/47/27/52/412472752.db2.gz IOEFEZRSGUICKL-UHFFFAOYSA-N 1 2 302.338 0.488 10 0 DCAELO CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(=O)NC(=O)NC1CCCC1 ZINC000027566339 415175059 /nfs/dbraw/zinc/17/50/59/415175059.db2.gz BIKMKWVNLWEEIV-GFCCVEGCSA-N 1 2 310.398 0.307 10 0 DCAELO CN(C)C(=O)[C@H]1CCC[N@H+]1CC(=O)NC(=O)NC1CCCC1 ZINC000027566339 415175066 /nfs/dbraw/zinc/17/50/66/415175066.db2.gz BIKMKWVNLWEEIV-GFCCVEGCSA-N 1 2 310.398 0.307 10 0 DCAELO CC[C@@H](CO)N1CC[NH+](C[C@@H](O)COCc2ccco2)CC1 ZINC000075963007 415452274 /nfs/dbraw/zinc/45/22/74/415452274.db2.gz FPRXCESYAHZHIT-LSDHHAIUSA-N 1 2 312.410 0.546 10 0 DCAELO CCc1nc(CCNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)no1 ZINC000332750971 415462960 /nfs/dbraw/zinc/46/29/60/415462960.db2.gz AFVAGKJRDKGIBC-VXGBXAGGSA-N 1 2 323.397 0.289 10 0 DCAELO CCc1nc(CCNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)no1 ZINC000332750971 415462961 /nfs/dbraw/zinc/46/29/61/415462961.db2.gz AFVAGKJRDKGIBC-VXGBXAGGSA-N 1 2 323.397 0.289 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH]nc4C3)C[C@@H]21 ZINC000284838797 415603233 /nfs/dbraw/zinc/60/32/33/415603233.db2.gz ZDOXBXZORXBCMJ-BYCMXARLSA-N 1 2 304.394 0.446 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH]nc4C3)C[C@@H]21 ZINC000284838797 415603241 /nfs/dbraw/zinc/60/32/41/415603241.db2.gz ZDOXBXZORXBCMJ-BYCMXARLSA-N 1 2 304.394 0.446 10 0 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/nfs/dbraw/zinc/64/54/53/415645453.db2.gz UJEWGWQUILIDSG-OLZOCXBDSA-N 1 2 315.377 0.513 10 0 DCAELO CCCN1C[C@H](C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)CC1=O ZINC000333206715 415582472 /nfs/dbraw/zinc/58/24/72/415582472.db2.gz YZNNOLSAWANZMQ-MCIONIFRSA-N 1 2 309.410 0.176 10 0 DCAELO CCCN1C[C@H](C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)CC1=O ZINC000333206715 415582478 /nfs/dbraw/zinc/58/24/78/415582478.db2.gz YZNNOLSAWANZMQ-MCIONIFRSA-N 1 2 309.410 0.176 10 0 DCAELO CC(C)(C)c1nc(CNC(=O)N2CC[NH2+]C[C@](C)(F)C2)n[nH]1 ZINC000333524793 415673195 /nfs/dbraw/zinc/67/31/95/415673195.db2.gz HCLTYLHMIYEVIW-AWEZNQCLSA-N 1 2 312.393 0.945 10 0 DCAELO COC(=O)CCCc1nc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)no1 ZINC000111220861 415689278 /nfs/dbraw/zinc/68/92/78/415689278.db2.gz LGUQWERAPFJWFZ-QWRGUYRKSA-N 1 2 324.381 0.651 10 0 DCAELO COC(=O)CCCc1nc(C[N@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)no1 ZINC000111220861 415689282 /nfs/dbraw/zinc/68/92/82/415689282.db2.gz LGUQWERAPFJWFZ-QWRGUYRKSA-N 1 2 324.381 0.651 10 0 DCAELO C[C@H]1C[C@H](S(=O)(=O)NC(C)(C)C[NH+]2CCOCC2)CCO1 ZINC000333923431 415765290 /nfs/dbraw/zinc/76/52/90/415765290.db2.gz SDXPOLPNDPYGQS-QWHCGFSZSA-N 1 2 320.455 0.584 10 0 DCAELO C[C@H](CNC(=O)c1cnc(C(F)(F)F)nc1)[NH+]1CCOCC1 ZINC000122936377 415835136 /nfs/dbraw/zinc/83/51/36/415835136.db2.gz CWZBNRZMZCBWFF-SECBINFHSA-N 1 2 318.299 0.946 10 0 DCAELO Cc1cc(N2CC[C@@H]([N@H+](C)CC(=O)NC3CC3)C2=O)n(C)n1 ZINC000152875951 415971521 /nfs/dbraw/zinc/97/15/21/415971521.db2.gz HLTJEUXIUNWNBL-GFCCVEGCSA-N 1 2 305.382 0.044 10 0 DCAELO Cc1cc(N2CC[C@@H]([N@@H+](C)CC(=O)NC3CC3)C2=O)n(C)n1 ZINC000152875951 415971526 /nfs/dbraw/zinc/97/15/26/415971526.db2.gz HLTJEUXIUNWNBL-GFCCVEGCSA-N 1 2 305.382 0.044 10 0 DCAELO Cn1cc(N2CCC[C@H]([N@H+](C)CC(=O)NC(C)(C)C)C2=O)cn1 ZINC000158578218 415999517 /nfs/dbraw/zinc/99/95/17/415999517.db2.gz OBGDJIXFMIRUAO-ZDUSSCGKSA-N 1 2 321.425 0.762 10 0 DCAELO Cn1cc(N2CCC[C@H]([N@@H+](C)CC(=O)NC(C)(C)C)C2=O)cn1 ZINC000158578218 415999520 /nfs/dbraw/zinc/99/95/20/415999520.db2.gz OBGDJIXFMIRUAO-ZDUSSCGKSA-N 1 2 321.425 0.762 10 0 DCAELO COc1ccc(CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cn1 ZINC000173767944 416063560 /nfs/dbraw/zinc/06/35/60/416063560.db2.gz VNWPMXZCUZLICO-AWEZNQCLSA-N 1 2 320.393 0.706 10 0 DCAELO O=C(NCCc1ccccn1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173781470 416065544 /nfs/dbraw/zinc/06/55/44/416065544.db2.gz PPTLDMSLZQIRSD-OAHLLOKOSA-N 1 2 304.394 0.740 10 0 DCAELO O=c1cc(CN2CC[C@@H]([NH+]3CCOCC3)C2)nc2sccn21 ZINC000173994221 416069887 /nfs/dbraw/zinc/06/98/87/416069887.db2.gz IAJDHLGNJJDFQU-CYBMUJFWSA-N 1 2 320.418 0.663 10 0 DCAELO O=C(Nc1cccc(F)c1)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000174008889 416071400 /nfs/dbraw/zinc/07/14/00/416071400.db2.gz FBJVKEAKHSDAJL-AWEZNQCLSA-N 1 2 321.352 0.697 10 0 DCAELO C[C@H](CS(C)(=O)=O)NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174901172 416090217 /nfs/dbraw/zinc/09/02/17/416090217.db2.gz PMEQGSVICZUFJH-NEPJUHHUSA-N 1 2 301.412 0.075 10 0 DCAELO CN(C)c1[nH+]cccc1CNC(=O)NC[C@@]1(O)CCSC1 ZINC000176208681 416120035 /nfs/dbraw/zinc/12/00/35/416120035.db2.gz JDDGEFQCYYPCAD-AWEZNQCLSA-N 1 2 310.423 0.815 10 0 DCAELO COC(=O)c1cn([C@H]2CCC[N@@H+]([C@H](C(=O)OC)C3CC3)C2)nn1 ZINC000358033296 416172980 /nfs/dbraw/zinc/17/29/80/416172980.db2.gz DJFBIMSOWPVLMJ-AAEUAGOBSA-N 1 2 322.365 0.653 10 0 DCAELO COC(=O)c1cn([C@H]2CCC[N@H+]([C@H](C(=O)OC)C3CC3)C2)nn1 ZINC000358033296 416172984 /nfs/dbraw/zinc/17/29/84/416172984.db2.gz DJFBIMSOWPVLMJ-AAEUAGOBSA-N 1 2 322.365 0.653 10 0 DCAELO Cc1ccc(C)c(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1 ZINC000190042527 416273408 /nfs/dbraw/zinc/27/34/08/416273408.db2.gz CMKOLFGNLXNZGV-AWEZNQCLSA-N 1 2 319.405 0.767 10 0 DCAELO Cc1ccc(C)c(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1 ZINC000190042527 416273413 /nfs/dbraw/zinc/27/34/13/416273413.db2.gz CMKOLFGNLXNZGV-AWEZNQCLSA-N 1 2 319.405 0.767 10 0 DCAELO CCc1onc(C)c1NC(=O)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000190050681 416274370 /nfs/dbraw/zinc/27/43/70/416274370.db2.gz VNRHQXSWMZYEOW-SNVBAGLBSA-N 1 2 324.381 0.009 10 0 DCAELO CCc1onc(C)c1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000190050681 416274372 /nfs/dbraw/zinc/27/43/72/416274372.db2.gz VNRHQXSWMZYEOW-SNVBAGLBSA-N 1 2 324.381 0.009 10 0 DCAELO COC(=O)CC[N@@H+](Cc1nc(N(C)C)no1)C[C@H]1CCCO1 ZINC000192721300 416310555 /nfs/dbraw/zinc/31/05/55/416310555.db2.gz PNTVQARSWOZSSX-LLVKDONJSA-N 1 2 312.370 0.680 10 0 DCAELO COC(=O)CC[N@H+](Cc1nc(N(C)C)no1)C[C@H]1CCCO1 ZINC000192721300 416310557 /nfs/dbraw/zinc/31/05/57/416310557.db2.gz PNTVQARSWOZSSX-LLVKDONJSA-N 1 2 312.370 0.680 10 0 DCAELO CN(Cc1nnnn1C)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000359478131 416347475 /nfs/dbraw/zinc/34/74/75/416347475.db2.gz XDLLIJZUJNFXLA-UHFFFAOYSA-N 1 2 300.326 0.199 10 0 DCAELO CCN1C[C@H](C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)CC1=O ZINC000194653930 416324309 /nfs/dbraw/zinc/32/43/09/416324309.db2.gz XGKRREDCXBKPKX-CYBMUJFWSA-N 1 2 313.361 0.752 10 0 DCAELO CC1CCN(C(=O)C[N@@H+]2CCC[C@](O)(c3cn[nH]n3)C2)CC1 ZINC000583617899 416477533 /nfs/dbraw/zinc/47/75/33/416477533.db2.gz HDACNJFLVCLIQT-OAHLLOKOSA-N 1 2 307.398 0.347 10 0 DCAELO CC1CCN(C(=O)C[N@H+]2CCC[C@](O)(c3cn[nH]n3)C2)CC1 ZINC000583617899 416477538 /nfs/dbraw/zinc/47/75/38/416477538.db2.gz HDACNJFLVCLIQT-OAHLLOKOSA-N 1 2 307.398 0.347 10 0 DCAELO CC1CCN(C(=O)C[N@@H+]2CCC[C@](O)(c3c[nH]nn3)C2)CC1 ZINC000583617899 416477542 /nfs/dbraw/zinc/47/75/42/416477542.db2.gz HDACNJFLVCLIQT-OAHLLOKOSA-N 1 2 307.398 0.347 10 0 DCAELO CC1CCN(C(=O)C[N@H+]2CCC[C@](O)(c3c[nH]nn3)C2)CC1 ZINC000583617899 416477548 /nfs/dbraw/zinc/47/75/48/416477548.db2.gz HDACNJFLVCLIQT-OAHLLOKOSA-N 1 2 307.398 0.347 10 0 DCAELO CC1CCN(C(=O)C[N@@H+]2CCC[C@@](O)(c3cn[nH]n3)C2)CC1 ZINC000583617898 416478153 /nfs/dbraw/zinc/47/81/53/416478153.db2.gz HDACNJFLVCLIQT-HNNXBMFYSA-N 1 2 307.398 0.347 10 0 DCAELO CC1CCN(C(=O)C[N@H+]2CCC[C@@](O)(c3cn[nH]n3)C2)CC1 ZINC000583617898 416478160 /nfs/dbraw/zinc/47/81/60/416478160.db2.gz HDACNJFLVCLIQT-HNNXBMFYSA-N 1 2 307.398 0.347 10 0 DCAELO CC1CCN(C(=O)C[N@@H+]2CCC[C@@](O)(c3c[nH]nn3)C2)CC1 ZINC000583617898 416478165 /nfs/dbraw/zinc/47/81/65/416478165.db2.gz HDACNJFLVCLIQT-HNNXBMFYSA-N 1 2 307.398 0.347 10 0 DCAELO CC1CCN(C(=O)C[N@H+]2CCC[C@@](O)(c3c[nH]nn3)C2)CC1 ZINC000583617898 416478171 /nfs/dbraw/zinc/47/81/71/416478171.db2.gz HDACNJFLVCLIQT-HNNXBMFYSA-N 1 2 307.398 0.347 10 0 DCAELO CC(C)(C)CCNC(=O)C[N@@H+]1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000583618035 416478581 /nfs/dbraw/zinc/47/85/81/416478581.db2.gz WLXHISBOFDFCSC-OAHLLOKOSA-N 1 2 309.414 0.641 10 0 DCAELO CC(C)(C)CCNC(=O)C[N@H+]1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000583618035 416478586 /nfs/dbraw/zinc/47/85/86/416478586.db2.gz WLXHISBOFDFCSC-OAHLLOKOSA-N 1 2 309.414 0.641 10 0 DCAELO CC(C)(C)CCNC(=O)C[N@@H+]1CCC[C@](O)(c2c[nH]nn2)C1 ZINC000583618035 416478590 /nfs/dbraw/zinc/47/85/90/416478590.db2.gz WLXHISBOFDFCSC-OAHLLOKOSA-N 1 2 309.414 0.641 10 0 DCAELO CC(C)(C)CCNC(=O)C[N@H+]1CCC[C@](O)(c2c[nH]nn2)C1 ZINC000583618035 416478595 /nfs/dbraw/zinc/47/85/95/416478595.db2.gz WLXHISBOFDFCSC-OAHLLOKOSA-N 1 2 309.414 0.641 10 0 DCAELO CC1(C)C[C@@H](NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)CCO1 ZINC000582187691 416448344 /nfs/dbraw/zinc/44/83/44/416448344.db2.gz KHHSLWUKMNCQGF-LBPRGKRZSA-N 1 2 309.410 0.367 10 0 DCAELO O=C(c1cccc2ncnn21)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000542503630 416625321 /nfs/dbraw/zinc/62/53/21/416625321.db2.gz JKZCXOINQRLFMX-CYBMUJFWSA-N 1 2 315.377 0.666 10 0 DCAELO CC[C@H]1CN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CCO1 ZINC000557350139 416732227 /nfs/dbraw/zinc/73/22/27/416732227.db2.gz OPYZSBDAALEHMJ-LBPRGKRZSA-N 1 2 302.334 0.910 10 0 DCAELO COC(=O)[C@](C)(O)C[N@@H+]1CCN(C)[C@H](c2nc(C3CC3)no2)C1 ZINC000517054094 416776879 /nfs/dbraw/zinc/77/68/79/416776879.db2.gz SFUSVWOPPNEWRQ-XHDPSFHLSA-N 1 2 324.381 0.160 10 0 DCAELO COC(=O)[C@](C)(O)C[N@H+]1CCN(C)[C@H](c2nc(C3CC3)no2)C1 ZINC000517054094 416776885 /nfs/dbraw/zinc/77/68/85/416776885.db2.gz SFUSVWOPPNEWRQ-XHDPSFHLSA-N 1 2 324.381 0.160 10 0 DCAELO CC(=O)N1CCC(NC(=O)C[N@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)CC1 ZINC000446071091 416910939 /nfs/dbraw/zinc/91/09/39/416910939.db2.gz OJLNCAJVHJZTBD-AVGNSLFASA-N 1 2 311.426 0.611 10 0 DCAELO CC(=O)N1CCC(NC(=O)C[N@@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)CC1 ZINC000446071091 416910945 /nfs/dbraw/zinc/91/09/45/416910945.db2.gz OJLNCAJVHJZTBD-AVGNSLFASA-N 1 2 311.426 0.611 10 0 DCAELO CC(=O)N1CCC(NC(=O)C[N@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)CC1 ZINC000446071093 416911348 /nfs/dbraw/zinc/91/13/48/416911348.db2.gz OJLNCAJVHJZTBD-XQQFMLRXSA-N 1 2 311.426 0.611 10 0 DCAELO CC(=O)N1CCC(NC(=O)C[N@@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)CC1 ZINC000446071093 416911353 /nfs/dbraw/zinc/91/13/53/416911353.db2.gz OJLNCAJVHJZTBD-XQQFMLRXSA-N 1 2 311.426 0.611 10 0 DCAELO CC(=O)CCCCCNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632416139 417074709 /nfs/dbraw/zinc/07/47/09/417074709.db2.gz LLPZQWWVGGMEQP-ZDUSSCGKSA-N 1 2 306.428 0.386 10 0 DCAELO CC(=O)CCCCCNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632416139 417074714 /nfs/dbraw/zinc/07/47/14/417074714.db2.gz LLPZQWWVGGMEQP-ZDUSSCGKSA-N 1 2 306.428 0.386 10 0 DCAELO CCOC(=O)c1cccc([C@@H]2C[NH2+]CCN2S(C)(=O)=O)c1 ZINC000616603975 417084279 /nfs/dbraw/zinc/08/42/79/417084279.db2.gz JFKLYWIDCHPOQV-ZDUSSCGKSA-N 1 2 312.391 0.769 10 0 DCAELO CC(=O)N[C@H]1COCC[N@H+](CCNC(=O)OC(C)(C)C)C1 ZINC000616662527 417089366 /nfs/dbraw/zinc/08/93/66/417089366.db2.gz CELWQVLLMFRWTO-GFCCVEGCSA-N 1 2 301.387 0.348 10 0 DCAELO CC(=O)N[C@H]1COCC[N@@H+](CCNC(=O)OC(C)(C)C)C1 ZINC000616662527 417089371 /nfs/dbraw/zinc/08/93/71/417089371.db2.gz CELWQVLLMFRWTO-GFCCVEGCSA-N 1 2 301.387 0.348 10 0 DCAELO CC(C)CN(C)S(=O)(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000408132088 417144352 /nfs/dbraw/zinc/14/43/52/417144352.db2.gz JGOMYVYBSNKTGP-KGLIPLIRSA-N 1 2 319.471 0.472 10 0 DCAELO C[C@@H]1CC[S@@](=O)CC[N@@H+]1CCN1C(=O)NC(C)(C)C1=O ZINC000408397793 417158827 /nfs/dbraw/zinc/15/88/27/417158827.db2.gz ZIKQFGZTPTZJJK-CFMSYZGJSA-N 1 2 301.412 0.160 10 0 DCAELO C[C@@H]1CC[S@@](=O)CC[N@H+]1CCN1C(=O)NC(C)(C)C1=O ZINC000408397793 417158834 /nfs/dbraw/zinc/15/88/34/417158834.db2.gz ZIKQFGZTPTZJJK-CFMSYZGJSA-N 1 2 301.412 0.160 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCCn1ncnn1)C2 ZINC000526021539 417174232 /nfs/dbraw/zinc/17/42/32/417174232.db2.gz VBVUITGMSJMPRD-SNVBAGLBSA-N 1 2 303.370 0.441 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCCn1ncnn1)CC2 ZINC000526021539 417174242 /nfs/dbraw/zinc/17/42/42/417174242.db2.gz VBVUITGMSJMPRD-SNVBAGLBSA-N 1 2 303.370 0.441 10 0 DCAELO COC[C@]1(CO)CCN(c2nc(C(C)C)[nH+]c(N(C)C)n2)C1 ZINC000450891690 417279486 /nfs/dbraw/zinc/27/94/86/417279486.db2.gz BCPDGUNQFZKDAW-OAHLLOKOSA-N 1 2 309.414 0.896 10 0 DCAELO COC[C@]1(CO)CCN(c2nc(N(C)C)nc(C(C)C)[nH+]2)C1 ZINC000450891690 417279494 /nfs/dbraw/zinc/27/94/94/417279494.db2.gz BCPDGUNQFZKDAW-OAHLLOKOSA-N 1 2 309.414 0.896 10 0 DCAELO CCOC(=O)[C@H]1C[N@H+](CC(=O)Nc2cc(C)no2)CC12COC2 ZINC000451145856 417306185 /nfs/dbraw/zinc/30/61/85/417306185.db2.gz ZNQFHKIGBSTRQP-LLVKDONJSA-N 1 2 323.349 0.433 10 0 DCAELO CCOC(=O)[C@H]1C[N@@H+](CC(=O)Nc2cc(C)no2)CC12COC2 ZINC000451145856 417306191 /nfs/dbraw/zinc/30/61/91/417306191.db2.gz ZNQFHKIGBSTRQP-LLVKDONJSA-N 1 2 323.349 0.433 10 0 DCAELO CNc1nc(C)cc(C(=O)N2C[C@H](OC)C[C@H]2c2[nH]cc[nH+]2)n1 ZINC000644121784 417477284 /nfs/dbraw/zinc/47/72/84/417477284.db2.gz ZYHRQQBEPYPVOE-PWSUYJOCSA-N 1 2 316.365 1.152 10 0 DCAELO CO[C@H]1CC[C@H](NC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000530358860 417573098 /nfs/dbraw/zinc/57/30/98/417573098.db2.gz QZWJMMVYYIZMPP-STQMWFEESA-N 1 2 307.398 0.804 10 0 DCAELO c1snnc1C[NH2+]C[C@H]1CN(Cc2ccncc2)CCO1 ZINC000628476955 417622866 /nfs/dbraw/zinc/62/28/66/417622866.db2.gz YVCJYMLOINTESK-AWEZNQCLSA-N 1 2 305.407 0.924 10 0 DCAELO O=C(c1ccnnc1)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000478899758 287524010 /nfs/dbraw/zinc/52/40/10/287524010.db2.gz KGQBINRYFKFYET-AWEZNQCLSA-N 1 2 306.366 0.040 10 0 DCAELO O=C(NCc1ccccc1C[NH+]1CCOCC1)[C@H]1CNC(=O)C1 ZINC000194859710 261148863 /nfs/dbraw/zinc/14/88/63/261148863.db2.gz QDVSCNZDZLAJFW-OAHLLOKOSA-N 1 2 317.389 0.271 10 0 DCAELO COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)N1CC[NH+](C(C)C)CC1 ZINC000234570029 261154901 /nfs/dbraw/zinc/15/49/01/261154901.db2.gz IIHFENALDYENLC-STQMWFEESA-N 1 2 318.439 0.684 10 0 DCAELO COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CC[NH+](C(C)C)CC1 ZINC000234559544 261155169 /nfs/dbraw/zinc/15/51/69/261155169.db2.gz IIHFENALDYENLC-OLZOCXBDSA-N 1 2 318.439 0.684 10 0 DCAELO NC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)C1 ZINC000363018103 262094338 /nfs/dbraw/zinc/09/43/38/262094338.db2.gz XOHLNKOSXGYAAE-MGPQQGTHSA-N 1 2 309.410 0.354 10 0 DCAELO NC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CCO[C@@H]3CCCC[C@H]32)C1 ZINC000363018103 262094339 /nfs/dbraw/zinc/09/43/39/262094339.db2.gz XOHLNKOSXGYAAE-MGPQQGTHSA-N 1 2 309.410 0.354 10 0 DCAELO COc1ccccc1CNC(=O)C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000363796597 262131290 /nfs/dbraw/zinc/13/12/90/262131290.db2.gz RVAAUBWULNPEFK-OAHLLOKOSA-N 1 2 319.405 0.328 10 0 DCAELO COc1ccccc1CNC(=O)C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000363796597 262131292 /nfs/dbraw/zinc/13/12/92/262131292.db2.gz RVAAUBWULNPEFK-OAHLLOKOSA-N 1 2 319.405 0.328 10 0 DCAELO COc1ccc(/C=C\C(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1O ZINC000492521921 272132710 /nfs/dbraw/zinc/13/27/10/272132710.db2.gz NPCSLWSZUQJEOL-RYWCDNDXSA-N 1 2 306.362 0.861 10 0 DCAELO COc1ccc(/C=C\C(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1O ZINC000492521921 272132713 /nfs/dbraw/zinc/13/27/13/272132713.db2.gz NPCSLWSZUQJEOL-RYWCDNDXSA-N 1 2 306.362 0.861 10 0 DCAELO COC(=O)C(C)(C)N1CC[NH+](CC(=O)NCC2CCC2)CC1 ZINC000494395022 272220534 /nfs/dbraw/zinc/22/05/34/272220534.db2.gz HDJNYVTXABMAMR-UHFFFAOYSA-N 1 2 311.426 0.472 10 0 DCAELO Cn1nnnc1C[N@H+](C)CCC(=O)N1CCc2sccc2C1 ZINC000532326464 272785191 /nfs/dbraw/zinc/78/51/91/272785191.db2.gz BWUIQXJMPXFKOR-UHFFFAOYSA-N 1 2 320.422 0.678 10 0 DCAELO Cn1nnnc1C[N@@H+](C)CCC(=O)N1CCc2sccc2C1 ZINC000532326464 272785193 /nfs/dbraw/zinc/78/51/93/272785193.db2.gz BWUIQXJMPXFKOR-UHFFFAOYSA-N 1 2 320.422 0.678 10 0 DCAELO CC(=O)N1CCC[C@H](C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)C1 ZINC000374380002 276979626 /nfs/dbraw/zinc/97/96/26/276979626.db2.gz YYVIEVOXPIZTET-HOTGVXAUSA-N 1 2 316.405 0.813 10 0 DCAELO COC(=O)[C@H]1CC[C@H](C(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000378040964 277132730 /nfs/dbraw/zinc/13/27/30/277132730.db2.gz MFIURNYDIYJZCX-XDQVBPFNSA-N 1 2 310.394 0.507 10 0 DCAELO COC(=O)[C@H]1CC[C@H](C(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000378040964 277132731 /nfs/dbraw/zinc/13/27/31/277132731.db2.gz MFIURNYDIYJZCX-XDQVBPFNSA-N 1 2 310.394 0.507 10 0 DCAELO CC(=O)NCC(=O)N(C)C[C@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000347450901 278092165 /nfs/dbraw/zinc/09/21/65/278092165.db2.gz PCXNPEFHZIZVMZ-WBVHZDCISA-N 1 2 319.405 0.653 10 0 DCAELO CC(=O)NCC(=O)N(C)C[C@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000347450901 278092166 /nfs/dbraw/zinc/09/21/66/278092166.db2.gz PCXNPEFHZIZVMZ-WBVHZDCISA-N 1 2 319.405 0.653 10 0 DCAELO COc1nccc(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC000285229506 278093213 /nfs/dbraw/zinc/09/32/13/278093213.db2.gz PTHCBWMZZWHTEW-WDEREUQCSA-N 1 2 307.354 0.422 10 0 DCAELO COc1nccc(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000285229506 278093214 /nfs/dbraw/zinc/09/32/14/278093214.db2.gz PTHCBWMZZWHTEW-WDEREUQCSA-N 1 2 307.354 0.422 10 0 DCAELO Cc1nc(N2CCN(CC(C)C)C(=O)[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000547958698 288095849 /nfs/dbraw/zinc/09/58/49/288095849.db2.gz JMEZVCOIHGBYKR-NSHDSACASA-N 1 2 306.414 0.939 10 0 DCAELO Cc1nc(N(C)C)nc(N2CCN(CC(C)C)C(=O)[C@@H]2C)[nH+]1 ZINC000547958698 288095851 /nfs/dbraw/zinc/09/58/51/288095851.db2.gz JMEZVCOIHGBYKR-NSHDSACASA-N 1 2 306.414 0.939 10 0 DCAELO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)N(C)CC(C)C)CC1 ZINC000408154600 288111307 /nfs/dbraw/zinc/11/13/07/288111307.db2.gz LDLSIKNWWBUWDB-ZDUSSCGKSA-N 1 2 307.460 0.208 10 0 DCAELO CC[C@H]1C(=O)N(CC)CC[N@H+]1CC1CCS(=O)(=O)CC1 ZINC000548299792 288129885 /nfs/dbraw/zinc/12/98/85/288129885.db2.gz XTTXBLXAWZNVEI-ZDUSSCGKSA-N 1 2 302.440 0.754 10 0 DCAELO CC[C@H]1C(=O)N(CC)CC[N@@H+]1CC1CCS(=O)(=O)CC1 ZINC000548299792 288129887 /nfs/dbraw/zinc/12/98/87/288129887.db2.gz XTTXBLXAWZNVEI-ZDUSSCGKSA-N 1 2 302.440 0.754 10 0 DCAELO CC(=O)N1CCN(C(=O)C[N@@H+]2CCOC[C@@H]2CC2CCC2)CC1 ZINC000550503132 288216532 /nfs/dbraw/zinc/21/65/32/288216532.db2.gz XHDZGRJBZVHXCR-INIZCTEOSA-N 1 2 323.437 0.568 10 0 DCAELO CC(=O)N1CCN(C(=O)C[N@H+]2CCOC[C@@H]2CC2CCC2)CC1 ZINC000550503132 288216534 /nfs/dbraw/zinc/21/65/34/288216534.db2.gz XHDZGRJBZVHXCR-INIZCTEOSA-N 1 2 323.437 0.568 10 0 DCAELO CN(C[C@@H]1CCOC1)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000552753695 288280268 /nfs/dbraw/zinc/28/02/68/288280268.db2.gz PELQIFROJRRMDI-NSHDSACASA-N 1 2 302.334 0.768 10 0 DCAELO C[C@H](C(=O)NCC(F)(F)F)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000246185841 289350245 /nfs/dbraw/zinc/35/02/45/289350245.db2.gz UUJJRSXSCMWHDA-UTUOFQBUSA-N 1 2 323.359 0.706 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)NCCC(=O)N2CCCCC2)C1 ZINC000170921758 290077171 /nfs/dbraw/zinc/07/71/71/290077171.db2.gz GMYLUZYZOMDUMR-ZDUSSCGKSA-N 1 2 312.414 0.019 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)NCCC(=O)N2CCCCC2)C1 ZINC000170921758 290077174 /nfs/dbraw/zinc/07/71/74/290077174.db2.gz GMYLUZYZOMDUMR-ZDUSSCGKSA-N 1 2 312.414 0.019 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)CC(F)(F)F)[C@@H](C)C1 ZINC000408397619 290115541 /nfs/dbraw/zinc/11/55/41/290115541.db2.gz YXCLKVLHZKBHED-IUCAKERBSA-N 1 2 304.334 0.265 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)CC(F)(F)F)[C@@H](C)C1 ZINC000408397619 290115542 /nfs/dbraw/zinc/11/55/42/290115542.db2.gz YXCLKVLHZKBHED-IUCAKERBSA-N 1 2 304.334 0.265 10 0 DCAELO COC[C@]1(C(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)CCOC1 ZINC000333067392 293268023 /nfs/dbraw/zinc/26/80/23/293268023.db2.gz JIRZPZXMOLMZBE-IIAWOOMASA-N 1 2 312.410 0.361 10 0 DCAELO C[C@@H]1C[N@H+](C[C@H](O)C(F)(F)F)CCN1C[C@@H](O)C(F)(F)F ZINC000248391194 297022593 /nfs/dbraw/zinc/02/25/93/297022593.db2.gz JAKLJJDGFMNKQX-HRDYMLBCSA-N 1 2 324.265 0.839 10 0 DCAELO C[C@@H]1C[N@@H+](C[C@H](O)C(F)(F)F)CCN1C[C@@H](O)C(F)(F)F ZINC000248391194 297022596 /nfs/dbraw/zinc/02/25/96/297022596.db2.gz JAKLJJDGFMNKQX-HRDYMLBCSA-N 1 2 324.265 0.839 10 0 DCAELO C[C@@H]1CN(C[C@H](O)C(F)(F)F)CC[N@@H+]1C[C@@H](O)C(F)(F)F ZINC000248391194 297022598 /nfs/dbraw/zinc/02/25/98/297022598.db2.gz JAKLJJDGFMNKQX-HRDYMLBCSA-N 1 2 324.265 0.839 10 0 DCAELO C[C@@H]1CN(C[C@H](O)C(F)(F)F)CC[N@H+]1C[C@@H](O)C(F)(F)F ZINC000248391194 297022600 /nfs/dbraw/zinc/02/26/00/297022600.db2.gz JAKLJJDGFMNKQX-HRDYMLBCSA-N 1 2 324.265 0.839 10 0 DCAELO CCC1(CC)C[N@H+](C[C@@H](O)CN2CCCC2=O)CC[S@@]1=O ZINC000249009183 521690186 /nfs/dbraw/zinc/69/01/86/521690186.db2.gz OIENOBVYTWUKOY-LRTDBIEQSA-N 1 2 316.467 0.593 10 0 DCAELO CCC1(CC)C[N@@H+](C[C@@H](O)CN2CCCC2=O)CC[S@@]1=O ZINC000249009183 521690188 /nfs/dbraw/zinc/69/01/88/521690188.db2.gz OIENOBVYTWUKOY-LRTDBIEQSA-N 1 2 316.467 0.593 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)N2CC(CO)C2)nc[nH+]1 ZINC000189360963 522570185 /nfs/dbraw/zinc/57/01/85/522570185.db2.gz IPUCOGGXRYMMAU-LBPRGKRZSA-N 1 2 320.397 0.121 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)N2CC(CO)C2)[nH+]cn1 ZINC000189360963 522570195 /nfs/dbraw/zinc/57/01/95/522570195.db2.gz IPUCOGGXRYMMAU-LBPRGKRZSA-N 1 2 320.397 0.121 10 0 DCAELO CN(CCCn1cc[nH+]c1)C(=O)NCCCN1CCCC1=O ZINC000134742525 522799601 /nfs/dbraw/zinc/79/96/01/522799601.db2.gz YMEFZBCSFFWDFI-UHFFFAOYSA-N 1 2 307.398 0.927 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)c2cccc(OCC(F)F)n2)C1 ZINC000124855268 523948477 /nfs/dbraw/zinc/94/84/77/523948477.db2.gz POBOYKMWTPDXSW-SNVBAGLBSA-N 1 2 315.320 0.786 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)c2cccc(OCC(F)F)n2)C1 ZINC000124855268 523948481 /nfs/dbraw/zinc/94/84/81/523948481.db2.gz POBOYKMWTPDXSW-SNVBAGLBSA-N 1 2 315.320 0.786 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCN2c2nccs2)C1 ZINC000247595296 523949419 /nfs/dbraw/zinc/94/94/19/523949419.db2.gz OCDVIIQNEFRGMO-VXGBXAGGSA-N 1 2 310.423 0.559 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCCN2c2nccs2)C1 ZINC000247595296 523949425 /nfs/dbraw/zinc/94/94/25/523949425.db2.gz OCDVIIQNEFRGMO-VXGBXAGGSA-N 1 2 310.423 0.559 10 0 DCAELO Cc1cccc(C)c1NCC(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000128148491 524302221 /nfs/dbraw/zinc/30/22/21/524302221.db2.gz RTAVLNCZQFEHNH-OAHLLOKOSA-N 1 2 321.421 0.525 10 0 DCAELO C[C@@H]1CCNC(=O)[C@@H]1NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000249630622 524527851 /nfs/dbraw/zinc/52/78/51/524527851.db2.gz VCYAKBXOEGWEHJ-MRVWCRGKSA-N 1 2 309.410 0.128 10 0 DCAELO C[C@@H]1CCNC(=O)[C@@H]1NC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000249630622 524527857 /nfs/dbraw/zinc/52/78/57/524527857.db2.gz VCYAKBXOEGWEHJ-MRVWCRGKSA-N 1 2 309.410 0.128 10 0 DCAELO Cc1cc(C)nc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCOCC2)c1 ZINC000192919769 524581408 /nfs/dbraw/zinc/58/14/08/524581408.db2.gz PRSAXEOFHKALQQ-ZDUSSCGKSA-N 1 2 320.393 0.474 10 0 DCAELO C[C@@H](O)CCNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000114841846 525766050 /nfs/dbraw/zinc/76/60/50/525766050.db2.gz JUTFQDKIPARFAB-LLVKDONJSA-N 1 2 302.334 0.698 10 0 DCAELO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+](C)Cc1cccnc1 ZINC000132565651 525931005 /nfs/dbraw/zinc/93/10/05/525931005.db2.gz WANPBBDETDHMQS-GFCCVEGCSA-N 1 2 304.394 0.639 10 0 DCAELO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+](C)Cc1cccnc1 ZINC000132565651 525931010 /nfs/dbraw/zinc/93/10/10/525931010.db2.gz WANPBBDETDHMQS-GFCCVEGCSA-N 1 2 304.394 0.639 10 0 DCAELO C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000246451128 526042726 /nfs/dbraw/zinc/04/27/26/526042726.db2.gz LNOPSXSJBHREGM-NFAWXSAZSA-N 1 2 323.437 0.956 10 0 DCAELO C[C@H](C(=O)NCCC1=CCCCC1)[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000246451128 526042733 /nfs/dbraw/zinc/04/27/33/526042733.db2.gz LNOPSXSJBHREGM-NFAWXSAZSA-N 1 2 323.437 0.956 10 0 DCAELO NC(=O)NC(=O)C[NH+]1CCN(c2ccc3ccccc3n2)CC1 ZINC000266850699 526925783 /nfs/dbraw/zinc/92/57/83/526925783.db2.gz DCACRCXXXCLHRG-UHFFFAOYSA-N 1 2 313.361 0.552 10 0 DCAELO O=C(NC1CN(C(=O)NCCCNc2cccc[nH+]2)C1)C1CC1 ZINC000190269800 527542349 /nfs/dbraw/zinc/54/23/49/527542349.db2.gz QKWUFYPQDBFKHD-UHFFFAOYSA-N 1 2 317.393 0.804 10 0 DCAELO CN(CC1CC1)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000080068464 545687021 /nfs/dbraw/zinc/68/70/21/545687021.db2.gz SPZUOAODOSLSCK-UHFFFAOYSA-N 1 2 318.425 0.650 10 0 DCAELO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1cnc(N(C)C)nc1 ZINC000154432579 545837537 /nfs/dbraw/zinc/83/75/37/545837537.db2.gz XZYSCKQNEHHWCK-LBPRGKRZSA-N 1 2 321.429 0.300 10 0 DCAELO O=C(NCC[NH+]1CCOCC1)c1cc(N2CCCCC2)ncn1 ZINC000243331488 545960799 /nfs/dbraw/zinc/96/07/99/545960799.db2.gz LPCINGYNTXRBIH-UHFFFAOYSA-N 1 2 319.409 0.529 10 0 DCAELO Cc1[nH]nc(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1C ZINC000329319037 546046585 /nfs/dbraw/zinc/04/65/85/546046585.db2.gz SZNCQKZGKWGUOE-UHFFFAOYSA-N 1 2 318.381 0.808 10 0 DCAELO Cc1noc([C@H](C)NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)n1 ZINC000332761025 546059285 /nfs/dbraw/zinc/05/92/85/546059285.db2.gz RKICNQPQJPRVFT-MVWJERBFSA-N 1 2 309.370 0.554 10 0 DCAELO Cc1noc([C@H](C)NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)n1 ZINC000332761025 546059293 /nfs/dbraw/zinc/05/92/93/546059293.db2.gz RKICNQPQJPRVFT-MVWJERBFSA-N 1 2 309.370 0.554 10 0 DCAELO C[N@@H+]1CCO[C@H]2CN(C(=O)NCc3ccc(Cl)cn3)C[C@H]21 ZINC000332810494 546061187 /nfs/dbraw/zinc/06/11/87/546061187.db2.gz ONLDQRASHQSJSY-OLZOCXBDSA-N 1 2 310.785 0.959 10 0 DCAELO C[N@H+]1CCO[C@H]2CN(C(=O)NCc3ccc(Cl)cn3)C[C@H]21 ZINC000332810494 546061193 /nfs/dbraw/zinc/06/11/93/546061193.db2.gz ONLDQRASHQSJSY-OLZOCXBDSA-N 1 2 310.785 0.959 10 0 DCAELO O=C(c1ncnc2[nH]ccc21)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000669243286 546942675 /nfs/dbraw/zinc/94/26/75/546942675.db2.gz YICMTAGOUXRKJN-LLVKDONJSA-N 1 2 301.350 0.456 10 0 DCAELO C=CCNC(=O)CN1CC[NH+](C[C@@H](O)c2cccc(F)c2)CC1 ZINC000051148235 658815596 /nfs/dbraw/zinc/81/55/96/658815596.db2.gz AINZGFMESCRBND-MRXNPFEDSA-N 1 2 321.396 0.779 10 0 DCAELO O=C(NCCCn1cncn1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000726703805 661664615 /nfs/dbraw/zinc/66/46/15/661664615.db2.gz DRMZZOKEEJRMSX-UHFFFAOYSA-N 1 2 303.370 0.981 10 0 DCAELO O=S1(=O)C[C@@H](O)[C@H]([NH2+]Cc2ccccc2Br)C1 ZINC000042419366 663337590 /nfs/dbraw/zinc/33/75/90/663337590.db2.gz HTRXLUAEVMXGPG-GHMZBOCLSA-N 1 2 320.208 0.697 10 0 DCAELO Cc1nn(C)c(C)c1C[NH+]1CCN(CN2C[C@@H](C)CC2=O)CC1 ZINC000152660356 664768277 /nfs/dbraw/zinc/76/82/77/664768277.db2.gz UQQKAGXCQBMOAB-ZDUSSCGKSA-N 1 2 319.453 0.980 10 0 DCAELO CC[S@](=O)CCNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000735112271 666954729 /nfs/dbraw/zinc/95/47/29/666954729.db2.gz UIRWYDYGZFUHIJ-NRFANRHFSA-N 1 2 310.423 0.682 10 0 DCAELO Cn1cc[nH+]c1C[C@@H](NC(=S)NCC(N)=O)c1ccccc1 ZINC000743023358 667801720 /nfs/dbraw/zinc/80/17/20/667801720.db2.gz WYSQNMVPOXQXAI-GFCCVEGCSA-N 1 2 317.418 0.653 10 0 DCAELO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N1CCNC(=O)CC1 ZINC000105197167 672096920 /nfs/dbraw/zinc/09/69/20/672096920.db2.gz JIHLJMMVAYUBMG-UHFFFAOYSA-N 1 2 313.361 0.904 10 0 DCAELO O=C([C@H]1CNC(=O)C1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000105817571 672235650 /nfs/dbraw/zinc/23/56/50/672235650.db2.gz FXLPPQMCNWKQMS-HUUCEWRRSA-N 1 2 317.389 0.000 10 0 DCAELO O=S(=O)(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)c1ncc[nH]1 ZINC000720477401 685313862 /nfs/dbraw/zinc/31/38/62/685313862.db2.gz TYYVGHJOGBGODK-ZJUUUORDSA-N 1 2 302.425 0.268 10 0 DCAELO O=S(=O)(N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)c1ncc[nH]1 ZINC000720477401 685313867 /nfs/dbraw/zinc/31/38/67/685313867.db2.gz TYYVGHJOGBGODK-ZJUUUORDSA-N 1 2 302.425 0.268 10 0 DCAELO Cn1cc(CCC(=O)N(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)cn1 ZINC000328625140 231257127 /nfs/dbraw/zinc/25/71/27/231257127.db2.gz CUBXTOXSLCVTNJ-INIZCTEOSA-N 1 2 320.437 0.922 10 0 DCAELO Cn1cc(CCC(=O)N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)cn1 ZINC000328625140 231257130 /nfs/dbraw/zinc/25/71/30/231257130.db2.gz CUBXTOXSLCVTNJ-INIZCTEOSA-N 1 2 320.437 0.922 10 0 DCAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)Nc1ccc2[nH]ccc2c1 ZINC000092602483 185328551 /nfs/dbraw/zinc/32/85/51/185328551.db2.gz CTQAOYFJSZRJOP-CQSZACIVSA-N 1 2 318.377 0.983 10 0 DCAELO CCOc1cccc(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000097000990 185396262 /nfs/dbraw/zinc/39/62/62/185396262.db2.gz NDDNERZBKHEDSX-CQSZACIVSA-N 1 2 308.378 0.508 10 0 DCAELO C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)NCc2ccccc2)CCO1 ZINC000275948638 529852246 /nfs/dbraw/zinc/85/22/46/529852246.db2.gz LYQOXWYGRNROOF-AWEZNQCLSA-N 1 2 320.393 0.014 10 0 DCAELO C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)NCc2ccccc2)CCO1 ZINC000275948638 529852248 /nfs/dbraw/zinc/85/22/48/529852248.db2.gz LYQOXWYGRNROOF-AWEZNQCLSA-N 1 2 320.393 0.014 10 0 DCAELO CCCC(=O)N[C@@H]1CCCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000171002440 197864068 /nfs/dbraw/zinc/86/40/68/197864068.db2.gz DNBPIYSHGCAHFD-CYBMUJFWSA-N 1 2 307.398 0.973 10 0 DCAELO COc1ncccc1C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000173861884 198262381 /nfs/dbraw/zinc/26/23/81/198262381.db2.gz OFGFQJUFHXEVGC-JSGCOSHPSA-N 1 2 305.378 0.883 10 0 DCAELO C[C@H]1CN(C(=O)c2ccc(O)cc2O)C[C@@H]1[NH+]1CCOCC1 ZINC000179524230 199050887 /nfs/dbraw/zinc/05/08/87/199050887.db2.gz ZCRZKFUXOLEWLN-FZMZJTMJSA-N 1 2 306.362 0.891 10 0 DCAELO Cc1conc1NC(=O)C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000180257926 199137974 /nfs/dbraw/zinc/13/79/74/199137974.db2.gz UNTDEHLBQWTQFG-JQWIXIFHSA-N 1 2 322.365 0.101 10 0 DCAELO C[C@H]([C@H](C)NC(=O)N1CCC([C@H](C)O)CC1)[NH+]1CCOCC1 ZINC000159203375 237071359 /nfs/dbraw/zinc/07/13/59/237071359.db2.gz KZVQFFSYDOPLFS-MJBXVCDLSA-N 1 2 313.442 0.898 10 0 DCAELO C[C@H](NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)C1CCCC1 ZINC000175784696 237188795 /nfs/dbraw/zinc/18/87/95/237188795.db2.gz YDGBIEBFTFZJEM-ZFWWWQNUSA-N 1 2 313.442 0.900 10 0 DCAELO COc1ccc2c(c1)N(C[C@H](O)C[NH+]1CCOCC1)C[C@H](C)O2 ZINC000173941031 237164805 /nfs/dbraw/zinc/16/48/05/237164805.db2.gz PSOPQKILPBQFGS-UONOGXRCSA-N 1 2 322.405 0.976 10 0 DCAELO C[C@H]1CN(S(=O)(=O)c2cc(F)ccc2F)CC[N@@H+]1CCO ZINC000188720949 200294210 /nfs/dbraw/zinc/29/42/10/200294210.db2.gz PQIDRRYAMRGRAT-JTQLQIEISA-N 1 2 320.361 0.652 10 0 DCAELO C[C@H]1CN(S(=O)(=O)c2cc(F)ccc2F)CC[N@H+]1CCO ZINC000188720949 200294211 /nfs/dbraw/zinc/29/42/11/200294211.db2.gz PQIDRRYAMRGRAT-JTQLQIEISA-N 1 2 320.361 0.652 10 0 DCAELO C[C@H]1CN(C(=O)c2cc(OC(F)F)n(C)n2)CC[N@@H+]1CCO ZINC000188723087 200294334 /nfs/dbraw/zinc/29/43/34/200294334.db2.gz QLFZIWKZCGZINA-VIFPVBQESA-N 1 2 318.324 0.160 10 0 DCAELO C[C@H]1CN(C(=O)c2cc(OC(F)F)n(C)n2)CC[N@H+]1CCO ZINC000188723087 200294335 /nfs/dbraw/zinc/29/43/35/200294335.db2.gz QLFZIWKZCGZINA-VIFPVBQESA-N 1 2 318.324 0.160 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2F)CC[N@@H+]1CCO ZINC000188728170 200296071 /nfs/dbraw/zinc/29/60/71/200296071.db2.gz QYGJOUYLTHYXRU-SNVBAGLBSA-N 1 2 320.361 0.652 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2F)CC[N@H+]1CCO ZINC000188728170 200296073 /nfs/dbraw/zinc/29/60/73/200296073.db2.gz QYGJOUYLTHYXRU-SNVBAGLBSA-N 1 2 320.361 0.652 10 0 DCAELO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cn(C)nc1[C@H]1CCOC1 ZINC000275505204 212379847 /nfs/dbraw/zinc/37/98/47/212379847.db2.gz KQUZTJCPVXOSQF-OLZOCXBDSA-N 1 2 322.409 0.375 10 0 DCAELO Cc1nc2cc(NC(=O)C(=O)N3CC[NH+](C)CC3)ccc2o1 ZINC000091198538 193017650 /nfs/dbraw/zinc/01/76/50/193017650.db2.gz BIDRGMYLNCYBSF-UHFFFAOYSA-N 1 2 302.334 0.849 10 0 DCAELO Cc1ccn2c(C[N@@H+]3CC[C@@H](NS(C)(=O)=O)C3)cnc2c1 ZINC000093531034 193265803 /nfs/dbraw/zinc/26/58/03/193265803.db2.gz UYXNCRGPBOJSCB-GFCCVEGCSA-N 1 2 308.407 0.766 10 0 DCAELO Cc1ccn2c(C[N@H+]3CC[C@@H](NS(C)(=O)=O)C3)cnc2c1 ZINC000093531034 193265805 /nfs/dbraw/zinc/26/58/05/193265805.db2.gz UYXNCRGPBOJSCB-GFCCVEGCSA-N 1 2 308.407 0.766 10 0 DCAELO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cc(=O)n2nccc2[nH]1 ZINC000191169628 284215495 /nfs/dbraw/zinc/21/54/95/284215495.db2.gz XEFKMUJXNGTTDI-GMXABZIVSA-N 1 2 316.361 0.796 10 0 DCAELO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cc(=O)n2nccc2[nH]1 ZINC000191169628 284215496 /nfs/dbraw/zinc/21/54/96/284215496.db2.gz XEFKMUJXNGTTDI-GMXABZIVSA-N 1 2 316.361 0.796 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)N(CCO)Cc2ccccc2)C1 ZINC000105282950 194093623 /nfs/dbraw/zinc/09/36/23/194093623.db2.gz FZGOCGRWFODNLG-OAHLLOKOSA-N 1 2 307.394 0.521 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)N(CCO)Cc2ccccc2)C1 ZINC000105282950 194093624 /nfs/dbraw/zinc/09/36/24/194093624.db2.gz FZGOCGRWFODNLG-OAHLLOKOSA-N 1 2 307.394 0.521 10 0 DCAELO CC(=O)NCCCN1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000105865978 194149314 /nfs/dbraw/zinc/14/93/14/194149314.db2.gz BTYPDPSBNUGYPY-UHFFFAOYSA-N 1 2 307.442 0.681 10 0 DCAELO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000106382467 194203976 /nfs/dbraw/zinc/20/39/76/194203976.db2.gz YHRGVJLVDBXEAR-LLVKDONJSA-N 1 2 304.437 0.825 10 0 DCAELO Cc1ncc(C[NH+]2CCN(C(=O)[C@H]3CNC(=O)C3)CC2)s1 ZINC000110942585 194372058 /nfs/dbraw/zinc/37/20/58/194372058.db2.gz VFLCEDRFBYUGKE-LLVKDONJSA-N 1 2 308.407 0.232 10 0 DCAELO Cc1[nH]c(=O)sc1S(=O)(=O)N1CCn2cc[nH+]c2C1 ZINC000062329199 184231006 /nfs/dbraw/zinc/23/10/06/184231006.db2.gz YPPPVOJGKVRXFZ-UHFFFAOYSA-N 1 2 300.365 0.146 10 0 DCAELO CCCC(O)(CCC)CC(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000132665138 545795594 /nfs/dbraw/zinc/79/55/94/545795594.db2.gz HDURGONDMNCHKE-AWEZNQCLSA-N 1 2 316.442 0.517 10 0 DCAELO COc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C)C[C@H]2C(N)=O)cc1 ZINC000187423947 533581724 /nfs/dbraw/zinc/58/17/24/533581724.db2.gz RKPLOIQOCUIXDW-DOMZBBRYSA-N 1 2 319.405 0.897 10 0 DCAELO COc1ccc(CNC(=O)C[N@H+]2CC[C@@H](C)C[C@H]2C(N)=O)cc1 ZINC000187423947 533581728 /nfs/dbraw/zinc/58/17/28/533581728.db2.gz RKPLOIQOCUIXDW-DOMZBBRYSA-N 1 2 319.405 0.897 10 0 DCAELO COc1cc(CNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)ccn1 ZINC000283954508 131036157 /nfs/dbraw/zinc/03/61/57/131036157.db2.gz KHFWWYPAXKAWDT-UONOGXRCSA-N 1 2 320.393 0.705 10 0 DCAELO COc1cc(CNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)ccn1 ZINC000283954508 131036158 /nfs/dbraw/zinc/03/61/58/131036158.db2.gz KHFWWYPAXKAWDT-UONOGXRCSA-N 1 2 320.393 0.705 10 0 DCAELO CNC(=O)c1cccc(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)c1 ZINC000283972276 131037844 /nfs/dbraw/zinc/03/78/44/131037844.db2.gz GZBSCXYQLGIYEV-HUUCEWRRSA-N 1 2 317.389 0.591 10 0 DCAELO CNC(=O)c1cccc(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1 ZINC000283972276 131037845 /nfs/dbraw/zinc/03/78/45/131037845.db2.gz GZBSCXYQLGIYEV-HUUCEWRRSA-N 1 2 317.389 0.591 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)NCCCn3cccn3)C[C@H]21 ZINC000284189384 131058099 /nfs/dbraw/zinc/05/80/99/131058099.db2.gz YDWNYWZRXDIBFC-KGLIPLIRSA-N 1 2 307.398 0.388 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)NCCCn3cccn3)C[C@H]21 ZINC000284189384 131058100 /nfs/dbraw/zinc/05/81/00/131058100.db2.gz YDWNYWZRXDIBFC-KGLIPLIRSA-N 1 2 307.398 0.388 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)CCNC(=O)c3ccco3)C[C@H]21 ZINC000284278615 131065617 /nfs/dbraw/zinc/06/56/17/131065617.db2.gz YRUQUDFBLHBILP-CHWSQXEVSA-N 1 2 321.377 0.331 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)CCNC(=O)c3ccco3)C[C@H]21 ZINC000284278615 131065619 /nfs/dbraw/zinc/06/56/19/131065619.db2.gz YRUQUDFBLHBILP-CHWSQXEVSA-N 1 2 321.377 0.331 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3cn4ccccc4n3)C[C@@H]21 ZINC000284485996 131085794 /nfs/dbraw/zinc/08/57/94/131085794.db2.gz MRTJSUJOHUXWMK-GJZGRUSLSA-N 1 2 314.389 0.808 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)Cc3cn4ccccc4n3)C[C@@H]21 ZINC000284485996 131085796 /nfs/dbraw/zinc/08/57/96/131085796.db2.gz MRTJSUJOHUXWMK-GJZGRUSLSA-N 1 2 314.389 0.808 10 0 DCAELO C[C@@H](C(=O)NCCC1=CCCCC1)[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000122418516 132166150 /nfs/dbraw/zinc/16/61/50/132166150.db2.gz LNOPSXSJBHREGM-IPYPFGDCSA-N 1 2 323.437 0.956 10 0 DCAELO C[C@@H](C(=O)NCCC1=CCCCC1)[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000122418516 132166151 /nfs/dbraw/zinc/16/61/51/132166151.db2.gz LNOPSXSJBHREGM-IPYPFGDCSA-N 1 2 323.437 0.956 10 0 DCAELO CN(Cc1nnc(C2CC2)n1C)[C@@H]1CC[N@@H+]([C@@H]2CCOC2=O)C1 ZINC000089741289 395714509 /nfs/dbraw/zinc/71/45/09/395714509.db2.gz RPRZQOAHHLTUMO-CHWSQXEVSA-N 1 2 319.409 0.514 10 0 DCAELO CN(Cc1nnc(C2CC2)n1C)[C@@H]1CC[N@H+]([C@@H]2CCOC2=O)C1 ZINC000089741289 395714510 /nfs/dbraw/zinc/71/45/10/395714510.db2.gz RPRZQOAHHLTUMO-CHWSQXEVSA-N 1 2 319.409 0.514 10 0 DCAELO Cn1c(C[N@H+](C)[C@@H]2CCN([C@@H]3CCOC3=O)C2)nnc1C1CC1 ZINC000089741289 395714511 /nfs/dbraw/zinc/71/45/11/395714511.db2.gz RPRZQOAHHLTUMO-CHWSQXEVSA-N 1 2 319.409 0.514 10 0 DCAELO Cn1c(C[N@@H+](C)[C@@H]2CCN([C@@H]3CCOC3=O)C2)nnc1C1CC1 ZINC000089741289 395714512 /nfs/dbraw/zinc/71/45/12/395714512.db2.gz RPRZQOAHHLTUMO-CHWSQXEVSA-N 1 2 319.409 0.514 10 0 DCAELO Cc1ccc(C(=O)NCC(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1C ZINC000194749973 395806568 /nfs/dbraw/zinc/80/65/68/395806568.db2.gz XLXIODNYYVXYES-OAHLLOKOSA-N 1 2 319.405 0.480 10 0 DCAELO Cc1ccc(C(=O)NCC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1C ZINC000194749973 395806572 /nfs/dbraw/zinc/80/65/72/395806572.db2.gz XLXIODNYYVXYES-OAHLLOKOSA-N 1 2 319.405 0.480 10 0 DCAELO COCCN(C[C@H](O)C[NH+]1CCOCC1)CC(F)(F)F ZINC000112408588 395818147 /nfs/dbraw/zinc/81/81/47/395818147.db2.gz YYFZQJGCLZISRJ-LLVKDONJSA-N 1 2 300.321 0.190 10 0 DCAELO CCN(CC)C(=O)C[NH+]1CCN(Cc2nnnn2C(C)C)CC1 ZINC000195430146 395826747 /nfs/dbraw/zinc/82/67/47/395826747.db2.gz VJNWKNOPOHVHHX-UHFFFAOYSA-N 1 2 323.445 0.240 10 0 DCAELO C[C@H](CNC(=O)COc1cccc(C=O)c1)[NH+]1CCOCC1 ZINC000113147282 395827941 /nfs/dbraw/zinc/82/79/41/395827941.db2.gz PTCDJNWWVTWBCZ-CYBMUJFWSA-N 1 2 306.362 0.715 10 0 DCAELO Cc1cc(C)cc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000118115408 395860469 /nfs/dbraw/zinc/86/04/69/395860469.db2.gz ROBGTABVCLNIEV-CQSZACIVSA-N 1 2 305.378 0.689 10 0 DCAELO Cc1cc(C)cc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000118115408 395860473 /nfs/dbraw/zinc/86/04/73/395860473.db2.gz ROBGTABVCLNIEV-CQSZACIVSA-N 1 2 305.378 0.689 10 0 DCAELO C[C@@H]1C[NH+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C[C@@H](C)O1 ZINC000051118346 395845330 /nfs/dbraw/zinc/84/53/30/395845330.db2.gz XPIGNVCZCMMNLV-CHWSQXEVSA-N 1 2 309.410 0.176 10 0 DCAELO CN(Cc1ccc(Cl)s1)C(=O)C[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000234304210 395888167 /nfs/dbraw/zinc/88/81/67/395888167.db2.gz WOTUUHYRZRCHCJ-NXEZZACHSA-N 1 2 304.799 0.397 10 0 DCAELO COCC[N@@H+]1CCN(CC(=O)NOCc2ccccc2)C[C@H]1C ZINC000119399733 395870736 /nfs/dbraw/zinc/87/07/36/395870736.db2.gz FHTMUTJDMUMENS-OAHLLOKOSA-N 1 2 321.421 0.887 10 0 DCAELO COCC[N@H+]1CCN(CC(=O)NOCc2ccccc2)C[C@H]1C ZINC000119399733 395870739 /nfs/dbraw/zinc/87/07/39/395870739.db2.gz FHTMUTJDMUMENS-OAHLLOKOSA-N 1 2 321.421 0.887 10 0 DCAELO CCS[C@H](C(=O)NC[C@H](O)C[NH+]1CCOCC1)C(C)C ZINC000133075841 395928185 /nfs/dbraw/zinc/92/81/85/395928185.db2.gz WQDWYAQVZCKEBG-STQMWFEESA-N 1 2 304.456 0.573 10 0 DCAELO CC[C@H](C)NC(=O)CCNC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000056863669 395934559 /nfs/dbraw/zinc/93/45/59/395934559.db2.gz BTJZYNVAAXEKKZ-STQMWFEESA-N 1 2 314.430 0.311 10 0 DCAELO CCOCC[N@@H+]1CCN(C(=O)C(=O)c2cnn(CC)c2)C[C@H]1C ZINC000135094423 395936859 /nfs/dbraw/zinc/93/68/59/395936859.db2.gz ZLVMKAYSQZHIGJ-CYBMUJFWSA-N 1 2 322.409 0.655 10 0 DCAELO CCOCC[N@H+]1CCN(C(=O)C(=O)c2cnn(CC)c2)C[C@H]1C ZINC000135094423 395936866 /nfs/dbraw/zinc/93/68/66/395936866.db2.gz ZLVMKAYSQZHIGJ-CYBMUJFWSA-N 1 2 322.409 0.655 10 0 DCAELO CN(C)c1ccc(CNC(=O)N2CCO[C@]3(CCOC3)C2)c[nH+]1 ZINC000274431189 395947664 /nfs/dbraw/zinc/94/76/64/395947664.db2.gz RZJGXTBMOYQFTR-MRXNPFEDSA-N 1 2 320.393 0.849 10 0 DCAELO C[C@@H](CNC(=O)N(C)CCCn1cc[nH+]c1)N1CCOCC1 ZINC000137072784 395950133 /nfs/dbraw/zinc/95/01/33/395950133.db2.gz XRANKJFRLUDJQN-AWEZNQCLSA-N 1 2 309.414 0.635 10 0 DCAELO CCOCC[N@@H+]1CCN(S(=O)(=O)C[C@@H]2CCCO2)C[C@H]1C ZINC000247117878 395967205 /nfs/dbraw/zinc/96/72/05/395967205.db2.gz NUQYHIQWYRYLOQ-KGLIPLIRSA-N 1 2 320.455 0.538 10 0 DCAELO CCOCC[N@H+]1CCN(S(=O)(=O)C[C@@H]2CCCO2)C[C@H]1C ZINC000247117878 395967208 /nfs/dbraw/zinc/96/72/08/395967208.db2.gz NUQYHIQWYRYLOQ-KGLIPLIRSA-N 1 2 320.455 0.538 10 0 DCAELO CC(=O)N1CCC[C@H](C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)C1 ZINC000247243869 395970041 /nfs/dbraw/zinc/97/00/41/395970041.db2.gz YFVCMFRXGYYCDH-BPUTZDHNSA-N 1 2 323.437 0.424 10 0 DCAELO CCc1nnc([C@@H]2CN(C(=O)NCCn3cc[nH+]c3)CCO2)[nH]1 ZINC000151106707 395979602 /nfs/dbraw/zinc/97/96/02/395979602.db2.gz RAHYDYKMQZHDKR-NSHDSACASA-N 1 2 319.369 0.347 10 0 DCAELO CCc1nc([C@@H]2CN(C(=O)NCCn3cc[nH+]c3)CCO2)n[nH]1 ZINC000151106707 395979605 /nfs/dbraw/zinc/97/96/05/395979605.db2.gz RAHYDYKMQZHDKR-NSHDSACASA-N 1 2 319.369 0.347 10 0 DCAELO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)cn1 ZINC000248805492 395997218 /nfs/dbraw/zinc/99/72/18/395997218.db2.gz BKCMHDCUPFBISN-CYBMUJFWSA-N 1 2 312.439 0.661 10 0 DCAELO CCN(C)c1ccc(C[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)cn1 ZINC000248805492 395997224 /nfs/dbraw/zinc/99/72/24/395997224.db2.gz BKCMHDCUPFBISN-CYBMUJFWSA-N 1 2 312.439 0.661 10 0 DCAELO CCc1nc(CN2CC[NH+](CC(=O)NC(N)=O)CC2)cs1 ZINC000154471209 396038379 /nfs/dbraw/zinc/03/83/79/396038379.db2.gz UHZJYOPCEBXHGC-UHFFFAOYSA-N 1 2 311.411 0.018 10 0 DCAELO CC[C@@H](NS(N)(=O)=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000152310381 396005702 /nfs/dbraw/zinc/00/57/02/396005702.db2.gz WGYKKOAYVBCOFQ-ZIAGYGMSSA-N 1 2 313.423 0.459 10 0 DCAELO CC[C@@H](NS(N)(=O)=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000152310381 396005705 /nfs/dbraw/zinc/00/57/05/396005705.db2.gz WGYKKOAYVBCOFQ-ZIAGYGMSSA-N 1 2 313.423 0.459 10 0 DCAELO CC(=O)N1CSC[C@H]1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000152912052 396017424 /nfs/dbraw/zinc/01/74/24/396017424.db2.gz MWPDMLCDTXKWMQ-STQMWFEESA-N 1 2 320.418 0.698 10 0 DCAELO OC[C@H]1CCCN1c1cc(N[C@@H]2CCc3ncnn3C2)[nH+]cn1 ZINC000170999798 396103179 /nfs/dbraw/zinc/10/31/79/396103179.db2.gz QPWOAWZISAJEMJ-VXGBXAGGSA-N 1 2 315.381 0.456 10 0 DCAELO OC[C@H]1CCCN1c1cc(N[C@@H]2CCc3ncnn3C2)nc[nH+]1 ZINC000170999798 396103182 /nfs/dbraw/zinc/10/31/82/396103182.db2.gz QPWOAWZISAJEMJ-VXGBXAGGSA-N 1 2 315.381 0.456 10 0 DCAELO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2nc(N)nc(N)n2)c1 ZINC000171141112 396109290 /nfs/dbraw/zinc/10/92/90/396109290.db2.gz VJHAVEXRICSJLZ-MRVPVSSYSA-N 1 2 304.354 0.904 10 0 DCAELO C[C@@H]1CN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)CC[S@@](=O)C1 ZINC000277570385 396074890 /nfs/dbraw/zinc/07/48/90/396074890.db2.gz BAYAPTSIAIONFW-GPAUDHNESA-N 1 2 324.450 0.643 10 0 DCAELO C[C@@H]1CN(c2cc(N3CCC[C@H]3CO)nc[nH+]2)CC[S@@](=O)C1 ZINC000277570385 396074891 /nfs/dbraw/zinc/07/48/91/396074891.db2.gz BAYAPTSIAIONFW-GPAUDHNESA-N 1 2 324.450 0.643 10 0 DCAELO C[C@@H](c1ccccn1)[N@H+](C)CCNS(=O)(=O)c1cnn(C)c1 ZINC000162425404 396081246 /nfs/dbraw/zinc/08/12/46/396081246.db2.gz KCXLRZYAEVUZEB-LBPRGKRZSA-N 1 2 323.422 0.786 10 0 DCAELO C[C@@H](c1ccccn1)[N@@H+](C)CCNS(=O)(=O)c1cnn(C)c1 ZINC000162425404 396081247 /nfs/dbraw/zinc/08/12/47/396081247.db2.gz KCXLRZYAEVUZEB-LBPRGKRZSA-N 1 2 323.422 0.786 10 0 DCAELO O=C(N[C@@H]1CCc2ncnn2C1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000177536580 396178243 /nfs/dbraw/zinc/17/82/43/396178243.db2.gz RJDSYVCPBTULNW-OLZOCXBDSA-N 1 2 315.381 0.664 10 0 DCAELO C[C@H](CO)[C@H](C)NC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000177801014 396183998 /nfs/dbraw/zinc/18/39/98/396183998.db2.gz NNARCWMGTMNMEN-NEPJUHHUSA-N 1 2 316.361 0.944 10 0 DCAELO O=C(NCc1nc(-c2ccncc2)no1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263012105 396197526 /nfs/dbraw/zinc/19/75/26/396197526.db2.gz PTXMHEPLJJPASC-SECBINFHSA-N 1 2 309.276 0.745 10 0 DCAELO C[C@@H](NC(=O)[C@H]1CC(F)(F)C[NH2+]1)C(=O)NCc1ccccc1 ZINC000263069111 396199690 /nfs/dbraw/zinc/19/96/90/396199690.db2.gz WIHQXEQWPKGHRY-ZYHUDNBSSA-N 1 2 311.332 0.805 10 0 DCAELO CS(=O)(=O)Nc1cccc(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)c1 ZINC000263084251 396200645 /nfs/dbraw/zinc/20/06/45/396200645.db2.gz XTJHOQYLPXTNCA-JTQLQIEISA-N 1 2 319.333 0.994 10 0 DCAELO C[C@@H]1CCNC(=O)[C@H]1NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000281959912 396252188 /nfs/dbraw/zinc/25/21/88/396252188.db2.gz VBGYXXSTABVFML-MFKMUULPSA-N 1 2 305.382 0.543 10 0 DCAELO C[C@@H](CO)[C@@H](C)NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000077771934 396232760 /nfs/dbraw/zinc/23/27/60/396232760.db2.gz PJBKZKPYBGGPBY-QWHCGFSZSA-N 1 2 322.409 0.734 10 0 DCAELO Cc1ccc(C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c(O)c1 ZINC000176902862 292072956 /nfs/dbraw/zinc/07/29/56/292072956.db2.gz XQPBXBYYXOILBE-INIZCTEOSA-N 1 2 308.378 0.514 10 0 DCAELO Cc1cccn2c(=O)cc(C[N@@H+]3CCO[C@]4(CCOC4)C3)nc12 ZINC000185148544 396319461 /nfs/dbraw/zinc/31/94/61/396319461.db2.gz HATKHFQJBJOKMC-QGZVFWFLSA-N 1 2 315.373 0.994 10 0 DCAELO Cc1cccn2c(=O)cc(C[N@H+]3CCO[C@]4(CCOC4)C3)nc12 ZINC000185148544 396319464 /nfs/dbraw/zinc/31/94/64/396319464.db2.gz HATKHFQJBJOKMC-QGZVFWFLSA-N 1 2 315.373 0.994 10 0 DCAELO Cc1ccc2nc(NC(=O)C[N@@H+]3C[C@@H](O)C[C@@H]3CO)sc2c1 ZINC000184724237 396302879 /nfs/dbraw/zinc/30/28/79/396302879.db2.gz HWICRMUFTOGDAY-MNOVXSKESA-N 1 2 321.402 0.971 10 0 DCAELO Cc1ccc2nc(NC(=O)C[N@H+]3C[C@@H](O)C[C@@H]3CO)sc2c1 ZINC000184724237 396302881 /nfs/dbraw/zinc/30/28/81/396302881.db2.gz HWICRMUFTOGDAY-MNOVXSKESA-N 1 2 321.402 0.971 10 0 DCAELO COCCCCS(=O)(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000184767040 396304595 /nfs/dbraw/zinc/30/45/95/396304595.db2.gz IFJROAJXUQRFTD-CYBMUJFWSA-N 1 2 306.428 0.196 10 0 DCAELO COCCCCS(=O)(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000184767040 396304597 /nfs/dbraw/zinc/30/45/97/396304597.db2.gz IFJROAJXUQRFTD-CYBMUJFWSA-N 1 2 306.428 0.196 10 0 DCAELO CCOCC[N@@H+]1CCN(S(=O)(=O)CCCCOC)C[C@@H]1C ZINC000184748879 396305037 /nfs/dbraw/zinc/30/50/37/396305037.db2.gz PIKMRMFAYGXFJV-AWEZNQCLSA-N 1 2 322.471 0.785 10 0 DCAELO CCOCC[N@H+]1CCN(S(=O)(=O)CCCCOC)C[C@@H]1C ZINC000184748879 396305039 /nfs/dbraw/zinc/30/50/39/396305039.db2.gz PIKMRMFAYGXFJV-AWEZNQCLSA-N 1 2 322.471 0.785 10 0 DCAELO CC[C@H](C)NC(=O)C[NH+]1CCN(C[C@@H](O)C(F)(F)F)CC1 ZINC000185159342 396320498 /nfs/dbraw/zinc/32/04/98/396320498.db2.gz ZJCLCDCIDMJXPY-WDEREUQCSA-N 1 2 311.348 0.442 10 0 DCAELO CC[C@H](C)NC(=O)CN1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000185159342 396320500 /nfs/dbraw/zinc/32/05/00/396320500.db2.gz ZJCLCDCIDMJXPY-WDEREUQCSA-N 1 2 311.348 0.442 10 0 DCAELO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(N)cc2)CC1 ZINC000186224272 396345337 /nfs/dbraw/zinc/34/53/37/396345337.db2.gz AVZVPIDOHVQWGK-ZDUSSCGKSA-N 1 2 313.423 0.346 10 0 DCAELO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccc4[nH]nnc4c3)[C@@H]2C1 ZINC000285989894 396367846 /nfs/dbraw/zinc/36/78/46/396367846.db2.gz YIAOPKOMTVGOEE-KGLIPLIRSA-N 1 2 301.350 0.503 10 0 DCAELO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccc4[nH]nnc4c3)[C@@H]2C1 ZINC000285989894 396367848 /nfs/dbraw/zinc/36/78/48/396367848.db2.gz YIAOPKOMTVGOEE-KGLIPLIRSA-N 1 2 301.350 0.503 10 0 DCAELO C[C@@H]1C(=O)NCCC[N@H+]1CC(=O)NC(=O)NCc1ccccc1 ZINC000189318788 396393418 /nfs/dbraw/zinc/39/34/18/396393418.db2.gz PXISFTIJSVTAPH-GFCCVEGCSA-N 1 2 318.377 0.223 10 0 DCAELO C[C@@H]1C(=O)NCCC[N@@H+]1CC(=O)NC(=O)NCc1ccccc1 ZINC000189318788 396393420 /nfs/dbraw/zinc/39/34/20/396393420.db2.gz PXISFTIJSVTAPH-GFCCVEGCSA-N 1 2 318.377 0.223 10 0 DCAELO COc1cnccc1[C@@H](C)NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000189795942 396399497 /nfs/dbraw/zinc/39/94/97/396399497.db2.gz IIMKKSFLVVZYAN-VXGBXAGGSA-N 1 2 308.382 0.781 10 0 DCAELO COc1cnccc1[C@@H](C)NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000189795942 396399499 /nfs/dbraw/zinc/39/94/99/396399499.db2.gz IIMKKSFLVVZYAN-VXGBXAGGSA-N 1 2 308.382 0.781 10 0 DCAELO CC(C)Cn1cc[nH+]c1CNS(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000192027593 396428535 /nfs/dbraw/zinc/42/85/35/396428535.db2.gz SSIGTZQGLPASCD-NSHDSACASA-N 1 2 316.427 0.435 10 0 DCAELO CO[C@@]1(CNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CCOC1 ZINC000514899321 396498060 /nfs/dbraw/zinc/49/80/60/396498060.db2.gz URFKCXGOCMBULX-OAHLLOKOSA-N 1 2 318.333 0.195 10 0 DCAELO O=C([C@@H]1COc2ccccc2O1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000372623482 396532497 /nfs/dbraw/zinc/53/24/97/396532497.db2.gz ANZYWIMMRMJWBV-BBRMVZONSA-N 1 2 318.373 0.760 10 0 DCAELO CN1CC[C@H](C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)CC1=O ZINC000374378144 396658866 /nfs/dbraw/zinc/65/88/66/396658866.db2.gz QBPDAGNRJIIEOX-KBPBESRZSA-N 1 2 302.378 0.423 10 0 DCAELO CN(C)C(=O)C[NH+]1CCN(C(=O)Cc2cccc(O)c2)CC1 ZINC000586700559 396662163 /nfs/dbraw/zinc/66/21/63/396662163.db2.gz NPFNLSFCFMSBIK-UHFFFAOYSA-N 1 2 305.378 0.167 10 0 DCAELO CC(=O)N1CCC[C@H](C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)C1 ZINC000374380005 396660491 /nfs/dbraw/zinc/66/04/91/396660491.db2.gz YYVIEVOXPIZTET-JKSUJKDBSA-N 1 2 316.405 0.813 10 0 DCAELO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)[C@H]1CNC(=O)C1 ZINC000312037236 396762909 /nfs/dbraw/zinc/76/29/09/396762909.db2.gz PJWVQALNBHDTIC-CABCVRRESA-N 1 2 317.389 0.140 10 0 DCAELO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H]1CNC(=O)C1 ZINC000312037236 396762911 /nfs/dbraw/zinc/76/29/11/396762911.db2.gz PJWVQALNBHDTIC-CABCVRRESA-N 1 2 317.389 0.140 10 0 DCAELO NC(=O)c1noc([C@H]2CCC[N@@H+]2Cc2ccc(CO)cc2)n1 ZINC000328625362 396824648 /nfs/dbraw/zinc/82/46/48/396824648.db2.gz DBDNBHDEGKGKHF-GFCCVEGCSA-N 1 2 302.334 0.998 10 0 DCAELO NC(=O)c1noc([C@H]2CCC[N@H+]2Cc2ccc(CO)cc2)n1 ZINC000328625362 396824653 /nfs/dbraw/zinc/82/46/53/396824653.db2.gz DBDNBHDEGKGKHF-GFCCVEGCSA-N 1 2 302.334 0.998 10 0 DCAELO CCn1cnnc1[C@H]1C[N@H+](C[C@@H](O)COCC(C)C)CCO1 ZINC000328653090 396831011 /nfs/dbraw/zinc/83/10/11/396831011.db2.gz WSXXBJXODJWYDM-ZIAGYGMSSA-N 1 2 312.414 0.705 10 0 DCAELO CCn1cnnc1[C@H]1C[N@@H+](C[C@@H](O)COCC(C)C)CCO1 ZINC000328653090 396831015 /nfs/dbraw/zinc/83/10/15/396831015.db2.gz WSXXBJXODJWYDM-ZIAGYGMSSA-N 1 2 312.414 0.705 10 0 DCAELO O=C(CCCn1cc[nH+]c1)NCCCN1CCCS1(=O)=O ZINC000591178571 396884504 /nfs/dbraw/zinc/88/45/04/396884504.db2.gz FSRHPZPOWUYGKL-UHFFFAOYSA-N 1 2 314.411 0.205 10 0 DCAELO Cn1ccc(CCNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)n1 ZINC000332750952 396892052 /nfs/dbraw/zinc/89/20/52/396892052.db2.gz AEHQJLQMTAWIBL-KGLIPLIRSA-N 1 2 307.398 0.077 10 0 DCAELO Cn1ccc(CCNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)n1 ZINC000332750952 396892055 /nfs/dbraw/zinc/89/20/55/396892055.db2.gz AEHQJLQMTAWIBL-KGLIPLIRSA-N 1 2 307.398 0.077 10 0 DCAELO C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+]1C[C@H](C(N)=O)O[C@@H](C)C1 ZINC000625736768 396990588 /nfs/dbraw/zinc/99/05/88/396990588.db2.gz IOHXFZHMJAFHJN-BMYFTYEUSA-N 1 2 311.426 0.644 10 0 DCAELO C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1C[C@H](C(N)=O)O[C@@H](C)C1 ZINC000625736768 396990590 /nfs/dbraw/zinc/99/05/90/396990590.db2.gz IOHXFZHMJAFHJN-BMYFTYEUSA-N 1 2 311.426 0.644 10 0 DCAELO O=C(C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O)NC1CCCCCC1 ZINC000377295736 397063296 /nfs/dbraw/zinc/06/32/96/397063296.db2.gz BDKFASNTFHGEJT-INIZCTEOSA-N 1 2 322.409 0.499 10 0 DCAELO O=C(C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O)NC1CCCCCC1 ZINC000377295736 397063297 /nfs/dbraw/zinc/06/32/97/397063297.db2.gz BDKFASNTFHGEJT-INIZCTEOSA-N 1 2 322.409 0.499 10 0 DCAELO c1c(CNCC[NH+]2CCSCC2)nnn1C[C@@H]1CCOC1 ZINC000631069957 397164602 /nfs/dbraw/zinc/16/46/02/397164602.db2.gz JPDIOZKCWIPNLU-ZDUSSCGKSA-N 1 2 311.455 0.453 10 0 DCAELO c1ncn2c1CN(c1cncc(N3CCn4c[nH+]cc4C3)n1)CC2 ZINC000573618777 397188057 /nfs/dbraw/zinc/18/80/57/397188057.db2.gz XFJDDLQWLWYCMS-UHFFFAOYSA-N 1 2 322.376 0.910 10 0 DCAELO CC(=O)N(C)c1ccc(NC(=O)NC[C@H]2COCC[N@@H+]2C)cn1 ZINC000626590013 397199371 /nfs/dbraw/zinc/19/93/71/397199371.db2.gz UTKQSXRCGIPIEC-ZDUSSCGKSA-N 1 2 321.381 0.516 10 0 DCAELO CC(=O)N(C)c1ccc(NC(=O)NC[C@H]2COCC[N@H+]2C)cn1 ZINC000626590013 397199377 /nfs/dbraw/zinc/19/93/77/397199377.db2.gz UTKQSXRCGIPIEC-ZDUSSCGKSA-N 1 2 321.381 0.516 10 0 DCAELO O=C([C@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCn2c[nH+]cc2C1 ZINC000365806942 397320668 /nfs/dbraw/zinc/32/06/68/397320668.db2.gz UZHUFXXGTRYFOP-JTQLQIEISA-N 1 2 300.322 0.002 10 0 DCAELO COC(=O)C(C)(C)N1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000614647330 397489791 /nfs/dbraw/zinc/48/97/91/397489791.db2.gz YXNLESIAIVCPPJ-UHFFFAOYSA-N 1 2 322.409 0.759 10 0 DCAELO O=C(NC[C@H]1CCS(=O)(=O)C1)Nc1ccc2[nH+]ccn2c1 ZINC000606582433 397683968 /nfs/dbraw/zinc/68/39/68/397683968.db2.gz OPKHQJRHPGSTHL-SNVBAGLBSA-N 1 2 308.363 0.891 10 0 DCAELO Cn1cc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)c(C(C)(C)C)n1 ZINC000092282981 158112629 /nfs/dbraw/zinc/11/26/29/158112629.db2.gz UYOQUMSUNQBKKA-GFCCVEGCSA-N 1 2 305.426 0.447 10 0 DCAELO NC(=O)c1cccc(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000114855194 158157991 /nfs/dbraw/zinc/15/79/91/158157991.db2.gz PNKNAVUNWMIJCZ-AWEZNQCLSA-N 1 2 303.362 0.379 10 0 DCAELO NC(=O)c1cccc(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000114855194 158157995 /nfs/dbraw/zinc/15/79/95/158157995.db2.gz PNKNAVUNWMIJCZ-AWEZNQCLSA-N 1 2 303.362 0.379 10 0 DCAELO COc1cc(F)ccc1N1CC[NH+]([C@H](C)C(=O)NC(N)=O)CC1 ZINC000115550546 158162680 /nfs/dbraw/zinc/16/26/80/158162680.db2.gz NNKHJDPZYXBPQB-SNVBAGLBSA-N 1 2 324.356 0.540 10 0 DCAELO COCC[N@@H+]1CCN(S(=O)(=O)C[C@@H]2CCCCO2)C[C@@H]1C ZINC000117369565 158171494 /nfs/dbraw/zinc/17/14/94/158171494.db2.gz FQTDGDJIAPPBOP-KBPBESRZSA-N 1 2 320.455 0.538 10 0 DCAELO COCC[N@H+]1CCN(S(=O)(=O)C[C@@H]2CCCCO2)C[C@@H]1C ZINC000117369565 158171497 /nfs/dbraw/zinc/17/14/97/158171497.db2.gz FQTDGDJIAPPBOP-KBPBESRZSA-N 1 2 320.455 0.538 10 0 DCAELO Cc1ccc2c([n-]cc(C(=O)NC[C@@](C)(O)C[NH+](C)C)c2=O)[nH+]1 ZINC000123809335 158234463 /nfs/dbraw/zinc/23/44/63/158234463.db2.gz ICTDEMXPODJGIV-MRXNPFEDSA-N 1 2 318.377 0.686 10 0 DCAELO Cc1ccc2c(n1)[nH]cc(C(=O)NC[C@@](C)(O)C[NH+](C)C)c2=O ZINC000123809335 158234466 /nfs/dbraw/zinc/23/44/66/158234466.db2.gz ICTDEMXPODJGIV-MRXNPFEDSA-N 1 2 318.377 0.686 10 0 DCAELO C[C@H](Oc1cccnc1)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000127423330 158273227 /nfs/dbraw/zinc/27/32/27/158273227.db2.gz DPJNGNSVPZWQNG-WFASDCNBSA-N 1 2 305.378 0.828 10 0 DCAELO C[C@H](Oc1cccnc1)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000127423330 158273229 /nfs/dbraw/zinc/27/32/29/158273229.db2.gz DPJNGNSVPZWQNG-WFASDCNBSA-N 1 2 305.378 0.828 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)N(C)CCCn2cc[nH+]c2)C[C@H](C)O1 ZINC000134544136 158328770 /nfs/dbraw/zinc/32/87/70/158328770.db2.gz GLCYVCZGZVCXHL-BETUJISGSA-N 1 2 316.427 0.559 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)CNC(=O)CC2CCCCC2)C1 ZINC000171286441 158382478 /nfs/dbraw/zinc/38/24/78/158382478.db2.gz INLWACOVMJJXMX-CQSZACIVSA-N 1 2 311.426 0.520 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)CNC(=O)CC2CCCCC2)C1 ZINC000171286441 158382479 /nfs/dbraw/zinc/38/24/79/158382479.db2.gz INLWACOVMJJXMX-CQSZACIVSA-N 1 2 311.426 0.520 10 0 DCAELO CC1(C)COCC[N@@H+]1CCNC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000171870590 158387318 /nfs/dbraw/zinc/38/73/18/158387318.db2.gz AYDUBABBCMPJPH-GFCCVEGCSA-N 1 2 322.413 0.003 10 0 DCAELO CC1(C)COCC[N@H+]1CCNC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000171870590 158387319 /nfs/dbraw/zinc/38/73/19/158387319.db2.gz AYDUBABBCMPJPH-GFCCVEGCSA-N 1 2 322.413 0.003 10 0 DCAELO C[C@@H](CS(C)(=O)=O)NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000172245809 158392324 /nfs/dbraw/zinc/39/23/24/158392324.db2.gz OLOYGDGPYNWNDB-JTQLQIEISA-N 1 2 314.411 0.380 10 0 DCAELO O=S(=O)(C[C@H]1CCCCO1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000172389440 158393969 /nfs/dbraw/zinc/39/39/69/158393969.db2.gz IDGRPYOQKMUQSU-KGLIPLIRSA-N 1 2 318.439 0.338 10 0 DCAELO O=S(=O)(C[C@H]1CCCCO1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000172389440 158393971 /nfs/dbraw/zinc/39/39/71/158393971.db2.gz IDGRPYOQKMUQSU-KGLIPLIRSA-N 1 2 318.439 0.338 10 0 DCAELO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000248807205 158698294 /nfs/dbraw/zinc/69/82/94/158698294.db2.gz HCFDGBKVTRLLNO-QKDZRIPBSA-N 1 2 324.421 0.896 10 0 DCAELO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000248807205 158698298 /nfs/dbraw/zinc/69/82/98/158698298.db2.gz HCFDGBKVTRLLNO-QKDZRIPBSA-N 1 2 324.421 0.896 10 0 DCAELO CCc1nsc(N2CC[NH+]([C@@H]3CCN(C4CC4)C3=O)CC2)n1 ZINC000328635598 159016832 /nfs/dbraw/zinc/01/68/32/159016832.db2.gz CCVGRYDAVFLTND-GFCCVEGCSA-N 1 2 321.450 0.986 10 0 DCAELO CO[C@@H](C(=O)N1CC[NH2+][C@@H](c2cccnc2)C1)c1cnn(C)c1 ZINC000328660927 159017815 /nfs/dbraw/zinc/01/78/15/159017815.db2.gz WEWBMZKEAZHDQC-HUUCEWRRSA-N 1 2 315.377 0.676 10 0 DCAELO CCC(=O)N1CSC[C@@H]1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000328927415 159043003 /nfs/dbraw/zinc/04/30/03/159043003.db2.gz XCJQPHXRWJBQKL-GFCCVEGCSA-N 1 2 315.439 0.089 10 0 DCAELO CN1CC[C@H]([N@H+](C)CC(=O)N2CCO[C@H]3CCCC[C@H]32)C1=O ZINC000329054364 159055586 /nfs/dbraw/zinc/05/55/86/159055586.db2.gz HUFPWCSCEUEJSK-RDBSUJKOSA-N 1 2 309.410 0.319 10 0 DCAELO CN1CC[C@H]([N@@H+](C)CC(=O)N2CCO[C@H]3CCCC[C@H]32)C1=O ZINC000329054364 159055589 /nfs/dbraw/zinc/05/55/89/159055589.db2.gz HUFPWCSCEUEJSK-RDBSUJKOSA-N 1 2 309.410 0.319 10 0 DCAELO O=C(N1CCC[C@](F)(CO)C1)C1([NH+]2CCOCC2)CCC1 ZINC000329238605 159075783 /nfs/dbraw/zinc/07/57/83/159075783.db2.gz PUGBMVRUSYFKNP-CQSZACIVSA-N 1 2 300.374 0.564 10 0 DCAELO CC[C@H]1CN(C(=O)c2nnn(C)c2C)C[C@H]1[NH+]1CCOCC1 ZINC000329746658 159116294 /nfs/dbraw/zinc/11/62/94/159116294.db2.gz RYLFPCVQBLGIRA-QWHCGFSZSA-N 1 2 307.398 0.306 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ncn(C(C)(C)C)n3)C[C@@H]21 ZINC000329751967 159117318 /nfs/dbraw/zinc/11/73/18/159117318.db2.gz VZIOAMZAZMUDDI-RYUDHWBXSA-N 1 2 307.398 0.578 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)c3ncn(C(C)(C)C)n3)C[C@@H]21 ZINC000329751967 159117319 /nfs/dbraw/zinc/11/73/19/159117319.db2.gz VZIOAMZAZMUDDI-RYUDHWBXSA-N 1 2 307.398 0.578 10 0 DCAELO CCCC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000329753418 159117611 /nfs/dbraw/zinc/11/76/11/159117611.db2.gz WUJIDKYQHSBDEP-HUUCEWRRSA-N 1 2 323.437 0.711 10 0 DCAELO O=C(CN1CC(=O)NC1=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000329889763 159126791 /nfs/dbraw/zinc/12/67/91/159126791.db2.gz FBDWIONMAYKAMN-NSHDSACASA-N 1 2 304.306 0.453 10 0 DCAELO Cc1cc(CS(=O)(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)on1 ZINC000330132045 159144102 /nfs/dbraw/zinc/14/41/02/159144102.db2.gz LGPVHIPJNWVPPF-ZDUSSCGKSA-N 1 2 315.395 0.266 10 0 DCAELO C[C@H](C(=O)N1CCO[C@@H](COCC2CC2)C1)[NH+]1CCOCC1 ZINC000330156624 159146447 /nfs/dbraw/zinc/14/64/47/159146447.db2.gz YUXNJAAKDJACAS-UKRRQHHQSA-N 1 2 312.410 0.361 10 0 DCAELO O=C([C@@H]1OC[C@@H]2COCC[C@@H]12)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000330178648 159148215 /nfs/dbraw/zinc/14/82/15/159148215.db2.gz DVXDZFWVAAWYFH-ZJIFWQFVSA-N 1 2 317.389 0.606 10 0 DCAELO CNC(=O)[C@@H]1CCCN1C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000332727101 159210472 /nfs/dbraw/zinc/21/04/72/159210472.db2.gz RNVQJWKLBXWRDO-NEPJUHHUSA-N 1 2 305.382 0.681 10 0 DCAELO CC(=O)N1CSC[C@@H]1C(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000367082731 159311051 /nfs/dbraw/zinc/31/10/51/159311051.db2.gz AGQQXNQXPFPNRK-UONOGXRCSA-N 1 2 320.418 0.476 10 0 DCAELO COCC[C@H](C)S(=O)(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000408018267 160012895 /nfs/dbraw/zinc/01/28/95/160012895.db2.gz ZPHMFMYAFMVJJR-AVGNSLFASA-N 1 2 306.428 0.146 10 0 DCAELO COCC[C@H](C)S(=O)(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000408018267 160012898 /nfs/dbraw/zinc/01/28/98/160012898.db2.gz ZPHMFMYAFMVJJR-AVGNSLFASA-N 1 2 306.428 0.146 10 0 DCAELO NC(=O)N[C@@H]1CC[N@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000408023158 160014208 /nfs/dbraw/zinc/01/42/08/160014208.db2.gz QIZHNLNKRKETMC-DLUQRMLASA-N 1 2 320.437 0.814 10 0 DCAELO NC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000408023158 160014211 /nfs/dbraw/zinc/01/42/11/160014211.db2.gz QIZHNLNKRKETMC-DLUQRMLASA-N 1 2 320.437 0.814 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(NC(N)=O)cc3)C[C@H]21 ZINC000408023611 160014684 /nfs/dbraw/zinc/01/46/84/160014684.db2.gz SZSNWPIBNXMIPW-KGLIPLIRSA-N 1 2 318.377 0.722 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(NC(N)=O)cc3)C[C@H]21 ZINC000408023611 160014686 /nfs/dbraw/zinc/01/46/86/160014686.db2.gz SZSNWPIBNXMIPW-KGLIPLIRSA-N 1 2 318.377 0.722 10 0 DCAELO Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@@H]2COCCN2C)CC1 ZINC000408033644 160017400 /nfs/dbraw/zinc/01/74/00/160017400.db2.gz OWHWLQFVMCDXNL-HNNXBMFYSA-N 1 2 322.409 0.266 10 0 DCAELO C[NH+]1CCN(C(=O)c2ccc(S(N)(=O)=O)cc2Cl)CC1 ZINC000408050443 160023376 /nfs/dbraw/zinc/02/33/76/160023376.db2.gz JOMYBEMBOKIZDF-UHFFFAOYSA-N 1 2 317.798 0.375 10 0 DCAELO C[C@H](O)CC(C)(C)CNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000408052301 160023935 /nfs/dbraw/zinc/02/39/35/160023935.db2.gz LCHMZSQAIRREDK-IHRRRGAJSA-N 1 2 313.442 0.898 10 0 DCAELO C[C@H](O)CC(C)(C)CNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000408052301 160023937 /nfs/dbraw/zinc/02/39/37/160023937.db2.gz LCHMZSQAIRREDK-IHRRRGAJSA-N 1 2 313.442 0.898 10 0 DCAELO C[C@@H]1CC[N@H+](CC(=O)N2CC(=O)Nc3ccccc32)C[C@H]1O ZINC000408089921 160033420 /nfs/dbraw/zinc/03/34/20/160033420.db2.gz KTVNCIBDUFPNHB-BXUZGUMPSA-N 1 2 303.362 0.674 10 0 DCAELO C[C@@H]1CC[N@@H+](CC(=O)N2CC(=O)Nc3ccccc32)C[C@H]1O ZINC000408089921 160033421 /nfs/dbraw/zinc/03/34/21/160033421.db2.gz KTVNCIBDUFPNHB-BXUZGUMPSA-N 1 2 303.362 0.674 10 0 DCAELO C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCc2cncnc2C1 ZINC000408092988 160034646 /nfs/dbraw/zinc/03/46/46/160034646.db2.gz MJMOJPYGLRBJHI-JTQLQIEISA-N 1 2 305.382 0.848 10 0 DCAELO C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCc2cncnc2C1 ZINC000408092988 160034644 /nfs/dbraw/zinc/03/46/44/160034644.db2.gz MJMOJPYGLRBJHI-JTQLQIEISA-N 1 2 305.382 0.848 10 0 DCAELO CCc1nn(C)cc1NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000408097420 160035184 /nfs/dbraw/zinc/03/51/84/160035184.db2.gz NEJKERJMCHJDRU-GFCCVEGCSA-N 1 2 307.398 0.921 10 0 DCAELO COCC[N@@H+]1CCN(S(=O)(=O)N2CCC(C)CC2)C[C@H]1C ZINC000408182746 160054708 /nfs/dbraw/zinc/05/47/08/160054708.db2.gz MXZORNHRMCHDHB-CQSZACIVSA-N 1 2 319.471 0.616 10 0 DCAELO COCC[N@H+]1CCN(S(=O)(=O)N2CCC(C)CC2)C[C@H]1C ZINC000408182746 160054709 /nfs/dbraw/zinc/05/47/09/160054709.db2.gz MXZORNHRMCHDHB-CQSZACIVSA-N 1 2 319.471 0.616 10 0 DCAELO Cc1ccncc1S(=O)(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000408460712 160113366 /nfs/dbraw/zinc/11/33/66/160113366.db2.gz QOMPORMKAMTZHF-OLZOCXBDSA-N 1 2 313.423 0.466 10 0 DCAELO Cc1ccncc1S(=O)(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000408460712 160113368 /nfs/dbraw/zinc/11/33/68/160113368.db2.gz QOMPORMKAMTZHF-OLZOCXBDSA-N 1 2 313.423 0.466 10 0 DCAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1c(F)cccc1Cl ZINC000192707338 287059499 /nfs/dbraw/zinc/05/94/99/287059499.db2.gz LOXVYJADDKCDJH-JTQLQIEISA-N 1 2 316.760 0.902 10 0 DCAELO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)C[C@H](C)O1 ZINC000246436069 287083764 /nfs/dbraw/zinc/08/37/64/287083764.db2.gz UBXRNPGIIFTLJP-UMNHJUIQSA-N 1 2 310.316 0.621 10 0 DCAELO C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)C[C@H](C)O1 ZINC000246436069 287083765 /nfs/dbraw/zinc/08/37/65/287083765.db2.gz UBXRNPGIIFTLJP-UMNHJUIQSA-N 1 2 310.316 0.621 10 0 DCAELO COCC[N@@H+]1CCN(S(=O)(=O)C[C@H]2CCCO2)C[C@H]1C ZINC000247082966 287090796 /nfs/dbraw/zinc/09/07/96/287090796.db2.gz LNPXPNIKWNVLDP-CHWSQXEVSA-N 1 2 306.428 0.148 10 0 DCAELO COCC[N@H+]1CCN(S(=O)(=O)C[C@H]2CCCO2)C[C@H]1C ZINC000247082966 287090799 /nfs/dbraw/zinc/09/07/99/287090799.db2.gz LNPXPNIKWNVLDP-CHWSQXEVSA-N 1 2 306.428 0.148 10 0 DCAELO COc1ccc(CNC(=O)C[N@@H+]2CC[C@H](C)C[C@@H]2C(N)=O)cc1 ZINC000249581929 287115095 /nfs/dbraw/zinc/11/50/95/287115095.db2.gz RKPLOIQOCUIXDW-SWLSCSKDSA-N 1 2 319.405 0.897 10 0 DCAELO COc1ccc(CNC(=O)C[N@H+]2CC[C@H](C)C[C@@H]2C(N)=O)cc1 ZINC000249581929 287115097 /nfs/dbraw/zinc/11/50/97/287115097.db2.gz RKPLOIQOCUIXDW-SWLSCSKDSA-N 1 2 319.405 0.897 10 0 DCAELO CNC(=O)[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000249737552 287117776 /nfs/dbraw/zinc/11/77/76/287117776.db2.gz FZEFUBGLDLIFQF-GHMZBOCLSA-N 1 2 321.343 0.998 10 0 DCAELO CNC(=O)[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000249737552 287117777 /nfs/dbraw/zinc/11/77/77/287117777.db2.gz FZEFUBGLDLIFQF-GHMZBOCLSA-N 1 2 321.343 0.998 10 0 DCAELO COCCN1[C@H](C)C[N@@H+](C[C@H](C)CS(C)(=O)=O)C[C@@H]1C ZINC000246499107 685164531 /nfs/dbraw/zinc/16/45/31/685164531.db2.gz BBPNCDLTOCAWQM-MELADBBJSA-N 1 2 306.472 0.708 10 0 DCAELO COCCN1[C@H](C)C[N@H+](C[C@H](C)CS(C)(=O)=O)C[C@@H]1C ZINC000246499107 685164538 /nfs/dbraw/zinc/16/45/38/685164538.db2.gz BBPNCDLTOCAWQM-MELADBBJSA-N 1 2 306.472 0.708 10 0 DCAELO CC[C@@H]1C[N@H+](C[C@@H](C)CS(C)(=O)=O)CCN1C[C@H](C)O ZINC000246571245 287197019 /nfs/dbraw/zinc/19/70/19/287197019.db2.gz NZRZGVNSBNMQJP-HZSPNIEDSA-N 1 2 306.472 0.444 10 0 DCAELO CC[C@@H]1C[N@@H+](C[C@@H](C)CS(C)(=O)=O)CCN1C[C@H](C)O ZINC000246571245 287197020 /nfs/dbraw/zinc/19/70/20/287197020.db2.gz NZRZGVNSBNMQJP-HZSPNIEDSA-N 1 2 306.472 0.444 10 0 DCAELO C[C@@H]1NC(=O)CC[C@H]1NC(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000332676088 415433956 /nfs/dbraw/zinc/43/39/56/415433956.db2.gz CDRWCSLLNYNYIN-SDDRHHMPSA-N 1 2 305.382 0.727 10 0 DCAELO CO[C@](C)(CNC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1)C1CC1 ZINC000332878306 415502108 /nfs/dbraw/zinc/50/21/08/415502108.db2.gz UTJZLLYWJQCXON-SQWLQELKSA-N 1 2 311.426 0.916 10 0 DCAELO CO[C@](C)(CNC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1)C1CC1 ZINC000332878306 415502117 /nfs/dbraw/zinc/50/21/17/415502117.db2.gz UTJZLLYWJQCXON-SQWLQELKSA-N 1 2 311.426 0.916 10 0 DCAELO CC(C)[N@H+](CC(N)=O)CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000076685102 415458817 /nfs/dbraw/zinc/45/88/17/415458817.db2.gz YMGDRYLYWMYLSF-SNVBAGLBSA-N 1 2 309.332 0.983 10 0 DCAELO CC(C)[N@@H+](CC(N)=O)CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000076685102 415458823 /nfs/dbraw/zinc/45/88/23/415458823.db2.gz YMGDRYLYWMYLSF-SNVBAGLBSA-N 1 2 309.332 0.983 10 0 DCAELO Cc1noc(C)c1CCNC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000107331060 415662817 /nfs/dbraw/zinc/66/28/17/415662817.db2.gz KKDSGHNGPGKFIA-NSHDSACASA-N 1 2 310.398 0.854 10 0 DCAELO CCOC(=O)CN(C)C(=O)C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114483314 415719663 /nfs/dbraw/zinc/71/96/63/415719663.db2.gz OFMWMUPMRBEUHD-CYBMUJFWSA-N 1 2 308.382 0.958 10 0 DCAELO CCOC(=O)CN(C)C(=O)C[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114483314 415719672 /nfs/dbraw/zinc/71/96/72/415719672.db2.gz OFMWMUPMRBEUHD-CYBMUJFWSA-N 1 2 308.382 0.958 10 0 DCAELO Cc1ccc(NC(=O)Cn2cnc3c(cnn3C)c2=O)c(C)[nH+]1 ZINC000119060088 415735069 /nfs/dbraw/zinc/73/50/69/415735069.db2.gz BGCQZHUZENJAQK-UHFFFAOYSA-N 1 2 312.333 0.781 10 0 DCAELO CO[C@H](C(=O)NC[C@@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC000120407371 415767121 /nfs/dbraw/zinc/76/71/21/415767121.db2.gz FUGWNUZXQQTGFS-CABCVRRESA-N 1 2 308.378 0.183 10 0 DCAELO Cc1nn(C)c(C)c1OCC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000150939188 196606635 /nfs/dbraw/zinc/60/66/35/196606635.db2.gz VCYNFLUNRIQRGY-AWEZNQCLSA-N 1 2 322.409 0.349 10 0 DCAELO O=C1NC[C@H]2C[N@H+](Cc3ccccc3OC3CC3)CCN2C1=O ZINC000290164273 415770887 /nfs/dbraw/zinc/77/08/87/415770887.db2.gz XVUYYAQPVQKMOB-ZDUSSCGKSA-N 1 2 315.373 0.370 10 0 DCAELO O=C1NC[C@H]2C[N@@H+](Cc3ccccc3OC3CC3)CCN2C1=O ZINC000290164273 415770893 /nfs/dbraw/zinc/77/08/93/415770893.db2.gz XVUYYAQPVQKMOB-ZDUSSCGKSA-N 1 2 315.373 0.370 10 0 DCAELO CC(C)CCO[C@@H](C)C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000128082314 415895770 /nfs/dbraw/zinc/89/57/70/415895770.db2.gz REDKORLKLHQIIQ-KBPBESRZSA-N 1 2 302.415 0.247 10 0 DCAELO COc1cnc(NC(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)nc1 ZINC000297105819 415951593 /nfs/dbraw/zinc/95/15/93/415951593.db2.gz MLYVUCNUDPNWKK-DGCLKSJQSA-N 1 2 321.381 0.670 10 0 DCAELO Cc1[nH]nc2ncc(C(=O)N3CC[C@H]([NH+]4CCOCC4)C3)cc12 ZINC000172747497 416046924 /nfs/dbraw/zinc/04/69/24/416046924.db2.gz OMSAENZNEXWWJB-ZDUSSCGKSA-N 1 2 315.377 0.813 10 0 DCAELO CCOCC[N@@H+]1CCN(S(=O)(=O)N(C)CC)C[C@H]1CC ZINC000173509412 416060569 /nfs/dbraw/zinc/06/05/69/416060569.db2.gz QZJBMJAXHDLMOB-CYBMUJFWSA-N 1 2 307.460 0.616 10 0 DCAELO CCOCC[N@H+]1CCN(S(=O)(=O)N(C)CC)C[C@H]1CC ZINC000173509412 416060571 /nfs/dbraw/zinc/06/05/71/416060571.db2.gz QZJBMJAXHDLMOB-CYBMUJFWSA-N 1 2 307.460 0.616 10 0 DCAELO O=C(NCCc1cccnc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173773243 416065298 /nfs/dbraw/zinc/06/52/98/416065298.db2.gz LMCDXILXWYJPRW-OAHLLOKOSA-N 1 2 304.394 0.740 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)NCCCOC)nc[nH+]1 ZINC000174000734 416071547 /nfs/dbraw/zinc/07/15/47/416071547.db2.gz ICYYDTXTBZCANZ-GFCCVEGCSA-N 1 2 322.413 0.823 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)NCCCOC)[nH+]cn1 ZINC000174000734 416071553 /nfs/dbraw/zinc/07/15/53/416071553.db2.gz ICYYDTXTBZCANZ-GFCCVEGCSA-N 1 2 322.413 0.823 10 0 DCAELO O=C(Nc1ccc(F)cc1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000174008442 416071619 /nfs/dbraw/zinc/07/16/19/416071619.db2.gz BJBNUTNGNDORLT-CQSZACIVSA-N 1 2 321.352 0.697 10 0 DCAELO C[C@H](C(=O)NC1(c2nn[nH]n2)CC1)[N@H+](C)Cc1ccccc1 ZINC000357043236 416025211 /nfs/dbraw/zinc/02/52/11/416025211.db2.gz HHLRABLTVMSSDO-LLVKDONJSA-N 1 2 300.366 0.826 10 0 DCAELO C[C@H](C(=O)NC1(c2nn[nH]n2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000357043236 416025212 /nfs/dbraw/zinc/02/52/12/416025212.db2.gz HHLRABLTVMSSDO-LLVKDONJSA-N 1 2 300.366 0.826 10 0 DCAELO O=C(NC1(c2nn[nH]n2)CC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000357065566 416028083 /nfs/dbraw/zinc/02/80/83/416028083.db2.gz FUMUQMWXMNAEMW-UHFFFAOYSA-N 1 2 309.333 0.864 10 0 DCAELO COC(=O)Cn1ncc2c1nc[nH+]c2N1CCCC[C@@H]1CCO ZINC000301599040 416088311 /nfs/dbraw/zinc/08/83/11/416088311.db2.gz HQWYFDJPDJEMRK-LLVKDONJSA-N 1 2 319.365 0.741 10 0 DCAELO Cc1cc(C)n(-c2ccc(NC[C@@H]3C[NH+]4CCN3CC4)nn2)n1 ZINC000301805566 416094030 /nfs/dbraw/zinc/09/40/30/416094030.db2.gz YFUQLWVOKCQIDP-CQSZACIVSA-N 1 2 313.409 0.691 10 0 DCAELO Cc1cc(C)n(-c2ccc(NC[C@@H]3CN4CC[NH+]3CC4)nn2)n1 ZINC000301805566 416094034 /nfs/dbraw/zinc/09/40/34/416094034.db2.gz YFUQLWVOKCQIDP-CQSZACIVSA-N 1 2 313.409 0.691 10 0 DCAELO COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@H](C)C(N)=O)CC2 ZINC000357545503 416095648 /nfs/dbraw/zinc/09/56/48/416095648.db2.gz OZMTZIPJILLRLS-SNVBAGLBSA-N 1 2 321.377 0.052 10 0 DCAELO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@H](C)C(N)=O)CC2 ZINC000357545503 416095652 /nfs/dbraw/zinc/09/56/52/416095652.db2.gz OZMTZIPJILLRLS-SNVBAGLBSA-N 1 2 321.377 0.052 10 0 DCAELO Cn1ncc2c1nc(NCC(=O)NCc1ccco1)[nH+]c2N ZINC000302846737 416102055 /nfs/dbraw/zinc/10/20/55/416102055.db2.gz OEKWDIKKZMGKTL-UHFFFAOYSA-N 1 2 301.310 0.267 10 0 DCAELO C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)Nc2ccon2)C1 ZINC000328655960 416124261 /nfs/dbraw/zinc/12/42/61/416124261.db2.gz YVVNTZVSFOKXSH-LLVKDONJSA-N 1 2 302.338 1.203 10 0 DCAELO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)Nc2ccon2)C1 ZINC000328655960 416124264 /nfs/dbraw/zinc/12/42/64/416124264.db2.gz YVVNTZVSFOKXSH-LLVKDONJSA-N 1 2 302.338 1.203 10 0 DCAELO CC1CCN(S(=O)(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)CC1 ZINC000328841202 416134614 /nfs/dbraw/zinc/13/46/14/416134614.db2.gz PIICOFYOHDPVMP-KGLIPLIRSA-N 1 2 317.455 0.368 10 0 DCAELO CC1CCN(S(=O)(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)CC1 ZINC000328841202 416134617 /nfs/dbraw/zinc/13/46/17/416134617.db2.gz PIICOFYOHDPVMP-KGLIPLIRSA-N 1 2 317.455 0.368 10 0 DCAELO Cc1ccc(C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c(O)c1 ZINC000176902880 416135695 /nfs/dbraw/zinc/13/56/95/416135695.db2.gz XQPBXBYYXOILBE-MRXNPFEDSA-N 1 2 308.378 0.514 10 0 DCAELO NS(=O)(=O)CCC[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000178019290 416156866 /nfs/dbraw/zinc/15/68/66/416156866.db2.gz RVYFZFBEHCDFHP-CYBMUJFWSA-N 1 2 300.380 0.444 10 0 DCAELO NS(=O)(=O)CCC[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000178019290 416156868 /nfs/dbraw/zinc/15/68/68/416156868.db2.gz RVYFZFBEHCDFHP-CYBMUJFWSA-N 1 2 300.380 0.444 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc4nncn4c3)C[C@H]21 ZINC000328892089 416137135 /nfs/dbraw/zinc/13/71/35/416137135.db2.gz SXRLBISEFXBGFN-CHWSQXEVSA-N 1 2 301.350 0.274 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc4nncn4c3)C[C@H]21 ZINC000328892089 416137137 /nfs/dbraw/zinc/13/71/37/416137137.db2.gz SXRLBISEFXBGFN-CHWSQXEVSA-N 1 2 301.350 0.274 10 0 DCAELO CCN(CC)S(=O)(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000176990683 416137870 /nfs/dbraw/zinc/13/78/70/416137870.db2.gz YLEUWDJMQCBJFT-QWHCGFSZSA-N 1 2 305.444 0.226 10 0 DCAELO CCCCN(C)S(=O)(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000176990997 416138782 /nfs/dbraw/zinc/13/87/82/416138782.db2.gz XYWADNSAUMDYLF-UONOGXRCSA-N 1 2 319.471 0.616 10 0 DCAELO C[C@@H]1CN(CC(=O)Nc2nncs2)C[C@@H]1[NH+]1CCOCC1 ZINC000177227264 416143168 /nfs/dbraw/zinc/14/31/68/416143168.db2.gz ZAWKMDDCTZHXEI-MNOVXSKESA-N 1 2 311.411 0.129 10 0 DCAELO CNC(=O)Cc1nc(CN(C)CC[NH+]2CCOCC2)cs1 ZINC000177604318 416148446 /nfs/dbraw/zinc/14/84/46/416148446.db2.gz SVEAOTHMOJIVPJ-UHFFFAOYSA-N 1 2 312.439 0.196 10 0 DCAELO CC(C)CS(=O)(=O)CC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177748319 416150859 /nfs/dbraw/zinc/15/08/59/416150859.db2.gz HJVHSVNLKPOMNH-CYBMUJFWSA-N 1 2 313.423 0.945 10 0 DCAELO CC(C)CC(=O)N[C@@H](C(=O)NC[C@@H]1C[NH+]2CCN1CC2)C(C)C ZINC000178650566 416168173 /nfs/dbraw/zinc/16/81/73/416168173.db2.gz HYUMQMQDRZSZRT-GDBMZVCRSA-N 1 2 324.469 0.289 10 0 DCAELO O=C(CCn1cnc2ccccc21)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178975352 416179221 /nfs/dbraw/zinc/17/92/21/416179221.db2.gz JIZSZWAVFGRHAO-CQSZACIVSA-N 1 2 313.405 0.542 10 0 DCAELO C[C@@H](Oc1cccc(CO)c1)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000179185070 416185512 /nfs/dbraw/zinc/18/55/12/416185512.db2.gz MRTUJTFFUZCIIM-UKRRQHHQSA-N 1 2 319.405 0.062 10 0 DCAELO O=C(/C=C/c1ccc(Cl)nc1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000179455145 416188366 /nfs/dbraw/zinc/18/83/66/416188366.db2.gz LAUXXQYNBFUHAK-CXLRFSCWSA-N 1 2 306.797 0.864 10 0 DCAELO COCc1ccsc1C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000179885375 416191625 /nfs/dbraw/zinc/19/16/25/416191625.db2.gz GCYRKVNDBGGUEG-GFCCVEGCSA-N 1 2 314.407 0.317 10 0 DCAELO CC(C)COC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000181425656 416208851 /nfs/dbraw/zinc/20/88/51/416208851.db2.gz FBMYROXOFXIYGN-AWEZNQCLSA-N 1 2 312.410 0.756 10 0 DCAELO CC(C)COC(=O)C[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000181425656 416208854 /nfs/dbraw/zinc/20/88/54/416208854.db2.gz FBMYROXOFXIYGN-AWEZNQCLSA-N 1 2 312.410 0.756 10 0 DCAELO CC1=CC[N@H+](CCNC(=O)NC[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000358192454 416209242 /nfs/dbraw/zinc/20/92/42/416209242.db2.gz PYMWLBSIGAYMAC-ZDUSSCGKSA-N 1 2 315.439 0.372 10 0 DCAELO CC1=CC[N@@H+](CCNC(=O)NC[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000358192454 416209247 /nfs/dbraw/zinc/20/92/47/416209247.db2.gz PYMWLBSIGAYMAC-ZDUSSCGKSA-N 1 2 315.439 0.372 10 0 DCAELO CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185923988 416253884 /nfs/dbraw/zinc/25/38/84/416253884.db2.gz BELQESXWKNHIFD-HNNXBMFYSA-N 1 2 307.398 0.108 10 0 DCAELO CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185923988 416253888 /nfs/dbraw/zinc/25/38/88/416253888.db2.gz BELQESXWKNHIFD-HNNXBMFYSA-N 1 2 307.398 0.108 10 0 DCAELO C[C@@H]1CN(C(=O)c2ccc([S@](C)=O)cc2)CC[N@@H+]1CCO ZINC000188701780 416264871 /nfs/dbraw/zinc/26/48/71/416264871.db2.gz HFXPHLNNGXYFMQ-GTJPDFRWSA-N 1 2 310.419 0.563 10 0 DCAELO C[C@@H]1CN(C(=O)c2ccc([S@](C)=O)cc2)CC[N@H+]1CCO ZINC000188701780 416264873 /nfs/dbraw/zinc/26/48/73/416264873.db2.gz HFXPHLNNGXYFMQ-GTJPDFRWSA-N 1 2 310.419 0.563 10 0 DCAELO C[C@H](O)C[NH+]1CCN(C(=O)c2c(O)cc(F)cc2F)CC1 ZINC000189704556 416270447 /nfs/dbraw/zinc/27/04/47/416270447.db2.gz HWLWSAIJTOPVOM-VIFPVBQESA-N 1 2 300.305 0.809 10 0 DCAELO Cc1cc(F)cc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1 ZINC000190047193 416272952 /nfs/dbraw/zinc/27/29/52/416272952.db2.gz GWIZWMBJFWVNQA-LBPRGKRZSA-N 1 2 323.368 0.598 10 0 DCAELO Cc1cc(F)cc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1 ZINC000190047193 416272955 /nfs/dbraw/zinc/27/29/55/416272955.db2.gz GWIZWMBJFWVNQA-LBPRGKRZSA-N 1 2 323.368 0.598 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@@H](C)O)nc[nH+]1 ZINC000192512002 416306709 /nfs/dbraw/zinc/30/67/09/416306709.db2.gz USHNJNBAGUVTMO-MNOVXSKESA-N 1 2 308.386 0.167 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@@H](C)O)[nH+]cn1 ZINC000192512002 416306712 /nfs/dbraw/zinc/30/67/12/416306712.db2.gz USHNJNBAGUVTMO-MNOVXSKESA-N 1 2 308.386 0.167 10 0 DCAELO CC(C)c1nn(C)cc1NC(=O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000361928840 416524404 /nfs/dbraw/zinc/52/44/04/416524404.db2.gz XNIKSYYCONLZFK-UHFFFAOYSA-N 1 2 318.381 0.874 10 0 DCAELO COC(=O)[C@@H]1CC[C@@H]1C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000367527222 416647667 /nfs/dbraw/zinc/64/76/67/416647667.db2.gz MUUUSFCQQHDQNY-YIYPIFLZSA-N 1 2 310.394 0.507 10 0 DCAELO O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N1CCC[C@@H](CO)C1 ZINC000557378881 416733383 /nfs/dbraw/zinc/73/33/83/416733383.db2.gz WZABWVBRLUVZSM-LLVKDONJSA-N 1 2 302.334 0.504 10 0 DCAELO COC(=O)[C@]1(C)CN(C(=O)[C@@H](C)[NH+]2CCN(C)CC2)C[C@H]1C ZINC000374465044 416983724 /nfs/dbraw/zinc/98/37/24/416983724.db2.gz BCBDZMNVMHWSRI-XJKCOSOUSA-N 1 2 311.426 0.280 10 0 DCAELO Nc1ccc([C@@H]2CN(S(N)(=O)=O)c3ccccc3N2)c[nH+]1 ZINC000616583509 417081414 /nfs/dbraw/zinc/08/14/14/417081414.db2.gz JEWFNKBWYQRRTL-NSHDSACASA-N 1 2 305.363 0.841 10 0 DCAELO COC(=O)[C@H]1CC[N@H+](CCNC(=O)OC(C)(C)C)CCO1 ZINC000616594909 417083299 /nfs/dbraw/zinc/08/32/99/417083299.db2.gz IUTSGUWUXXIVBA-LLVKDONJSA-N 1 2 302.371 0.775 10 0 DCAELO COC(=O)[C@H]1CC[N@@H+](CCNC(=O)OC(C)(C)C)CCO1 ZINC000616594909 417083309 /nfs/dbraw/zinc/08/33/09/417083309.db2.gz IUTSGUWUXXIVBA-LLVKDONJSA-N 1 2 302.371 0.775 10 0 DCAELO CCOC(=O)c1cccc([C@H]2CN(S(N)(=O)=O)CC[NH2+]2)c1 ZINC000616655043 417091024 /nfs/dbraw/zinc/09/10/24/417091024.db2.gz SLFRBQQMHONJOP-GFCCVEGCSA-N 1 2 313.379 0.013 10 0 DCAELO CC1(C)COCC[N@@H+]1CCNC(=O)c1cn2cccnc2n1 ZINC000524511343 417110172 /nfs/dbraw/zinc/11/01/72/417110172.db2.gz ISSDVPFJGALNGJ-UHFFFAOYSA-N 1 2 303.366 0.570 10 0 DCAELO CC1(C)COCC[N@H+]1CCNC(=O)c1cn2cccnc2n1 ZINC000524511343 417110180 /nfs/dbraw/zinc/11/01/80/417110180.db2.gz ISSDVPFJGALNGJ-UHFFFAOYSA-N 1 2 303.366 0.570 10 0 DCAELO CC(C)n1ncnc1C[NH2+][C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000400192675 417110658 /nfs/dbraw/zinc/11/06/58/417110658.db2.gz VUTIJDHCMGUVCO-LLVKDONJSA-N 1 2 301.416 0.373 10 0 DCAELO CN(C[C@H]1C[N@H+](C)CCO1)S(=O)(=O)c1ccccc1F ZINC000632629421 417203334 /nfs/dbraw/zinc/20/33/34/417203334.db2.gz SZZLWTUJASFQEL-LLVKDONJSA-N 1 2 302.371 0.777 10 0 DCAELO CN(C[C@H]1C[N@@H+](C)CCO1)S(=O)(=O)c1ccccc1F ZINC000632629421 417203342 /nfs/dbraw/zinc/20/33/42/417203342.db2.gz SZZLWTUJASFQEL-LLVKDONJSA-N 1 2 302.371 0.777 10 0 DCAELO CN(C[C@H](O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O)C1CC1 ZINC000528777698 417389793 /nfs/dbraw/zinc/38/97/93/417389793.db2.gz BMKNNHWYBDAFDD-MJBXVCDLSA-N 1 2 302.440 0.093 10 0 DCAELO CN(C[C@H](O)C[N@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O)C1CC1 ZINC000528777698 417389797 /nfs/dbraw/zinc/38/97/97/417389797.db2.gz BMKNNHWYBDAFDD-MJBXVCDLSA-N 1 2 302.440 0.093 10 0 DCAELO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2c2ccc(=O)[nH]n2)C[C@H](C)O1 ZINC000528792917 417394239 /nfs/dbraw/zinc/39/42/39/417394239.db2.gz WDZBXDQVLXNBHO-SCRDCRAPSA-N 1 2 320.393 0.955 10 0 DCAELO C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2c2ccc(=O)[nH]n2)C[C@H](C)O1 ZINC000528792917 417394243 /nfs/dbraw/zinc/39/42/43/417394243.db2.gz WDZBXDQVLXNBHO-SCRDCRAPSA-N 1 2 320.393 0.955 10 0 DCAELO CO[C@@H](C(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C)C1CC1 ZINC000628575008 417655285 /nfs/dbraw/zinc/65/52/85/417655285.db2.gz FKKXRZYGWUUVBV-CJNGLKHVSA-N 1 2 312.410 0.143 10 0 DCAELO CO[C@@H](C(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C)C1CC1 ZINC000628575008 417655291 /nfs/dbraw/zinc/65/52/91/417655291.db2.gz FKKXRZYGWUUVBV-CJNGLKHVSA-N 1 2 312.410 0.143 10 0 DCAELO CCC1(CC)CN(C(=O)[C@H]2C[N@H+](C)CCO2)CC[S@]1=O ZINC000183850670 261117570 /nfs/dbraw/zinc/11/75/70/261117570.db2.gz ABYIHVILFWIBNC-MPBGBICISA-N 1 2 302.440 0.467 10 0 DCAELO CCC1(CC)CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC[S@]1=O ZINC000183850670 261117572 /nfs/dbraw/zinc/11/75/72/261117572.db2.gz ABYIHVILFWIBNC-MPBGBICISA-N 1 2 302.440 0.467 10 0 DCAELO COc1cccc(OC)c1C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000187260723 261122720 /nfs/dbraw/zinc/12/27/20/261122720.db2.gz AKPHBRZKTZBQCB-GFCCVEGCSA-N 1 2 308.378 0.842 10 0 DCAELO COc1cccc(OC)c1C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000187260723 261122722 /nfs/dbraw/zinc/12/27/22/261122722.db2.gz AKPHBRZKTZBQCB-GFCCVEGCSA-N 1 2 308.378 0.842 10 0 DCAELO CNC(=O)c1cccc(C[N@@H+]2CCCN(CCOC)C(=O)C2)c1 ZINC000190799931 261135299 /nfs/dbraw/zinc/13/52/99/261135299.db2.gz MQCSYKVUYJFYSQ-UHFFFAOYSA-N 1 2 319.405 0.727 10 0 DCAELO CNC(=O)c1cccc(C[N@H+]2CCCN(CCOC)C(=O)C2)c1 ZINC000190799931 261135301 /nfs/dbraw/zinc/13/53/01/261135301.db2.gz MQCSYKVUYJFYSQ-UHFFFAOYSA-N 1 2 319.405 0.727 10 0 DCAELO C[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@H](CO)c1ccccc1 ZINC000489212449 272058560 /nfs/dbraw/zinc/05/85/60/272058560.db2.gz YYKZYBBGQJDRBF-GDBMZVCRSA-N 1 2 321.421 0.782 10 0 DCAELO C[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@H](CO)c1ccccc1 ZINC000489212449 272058562 /nfs/dbraw/zinc/05/85/62/272058562.db2.gz YYKZYBBGQJDRBF-GDBMZVCRSA-N 1 2 321.421 0.782 10 0 DCAELO COC(=O)C(C)(C)[NH+]1CCN(c2ncnc3nc[nH]c32)CC1 ZINC000489945889 272066885 /nfs/dbraw/zinc/06/68/85/272066885.db2.gz KRRFMBRVWTVYDY-UHFFFAOYSA-N 1 2 304.354 0.427 10 0 DCAELO COc1ccc(/C=C\C(=O)NC[C@H]2C[N@H+](C)CCO2)cc1O ZINC000492521920 272133087 /nfs/dbraw/zinc/13/30/87/272133087.db2.gz NPCSLWSZUQJEOL-AGLBCWCQSA-N 1 2 306.362 0.861 10 0 DCAELO COc1ccc(/C=C\C(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1O ZINC000492521920 272133089 /nfs/dbraw/zinc/13/30/89/272133089.db2.gz NPCSLWSZUQJEOL-AGLBCWCQSA-N 1 2 306.362 0.861 10 0 DCAELO COC(=O)c1cc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)c[nH]1 ZINC000408075540 277149732 /nfs/dbraw/zinc/14/97/32/277149732.db2.gz YOXXZDUAZJOQDD-OLZOCXBDSA-N 1 2 307.350 0.346 10 0 DCAELO COC(=O)c1cc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)c[nH]1 ZINC000408075540 277149734 /nfs/dbraw/zinc/14/97/34/277149734.db2.gz YOXXZDUAZJOQDD-OLZOCXBDSA-N 1 2 307.350 0.346 10 0 DCAELO CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N1CCn2cc[nH+]c2C1 ZINC000408391294 278535485 /nfs/dbraw/zinc/53/54/85/278535485.db2.gz CQBCTOFRSZTCHB-LLVKDONJSA-N 1 2 314.411 0.189 10 0 DCAELO COc1cc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)nn1C ZINC000547792957 288080070 /nfs/dbraw/zinc/08/00/70/288080070.db2.gz FTHHHOSYJHOOPB-ZDUSSCGKSA-N 1 2 322.409 0.756 10 0 DCAELO CC(C)[C@@H]1N(C(=O)NC[C@@H]2C[N@H+](C)CCO2)C[C@@]12CCCO2 ZINC000333784166 280046324 /nfs/dbraw/zinc/04/63/24/280046324.db2.gz WBVLDJNJDCDHAL-YCPHGPKFSA-N 1 2 311.426 0.916 10 0 DCAELO CC(C)[C@@H]1N(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C[C@@]12CCCO2 ZINC000333784166 280046326 /nfs/dbraw/zinc/04/63/26/280046326.db2.gz WBVLDJNJDCDHAL-YCPHGPKFSA-N 1 2 311.426 0.916 10 0 DCAELO CC(C)[C@@H]1N(C(=O)NC[C@H]2C[N@H+](C)CCO2)C[C@@]12CCCO2 ZINC000333784163 280047151 /nfs/dbraw/zinc/04/71/51/280047151.db2.gz WBVLDJNJDCDHAL-DZKIICNBSA-N 1 2 311.426 0.916 10 0 DCAELO CC(C)[C@@H]1N(C(=O)NC[C@H]2C[N@@H+](C)CCO2)C[C@@]12CCCO2 ZINC000333784163 280047154 /nfs/dbraw/zinc/04/71/54/280047154.db2.gz WBVLDJNJDCDHAL-DZKIICNBSA-N 1 2 311.426 0.916 10 0 DCAELO O=C([C@H]1COc2ccccc2O1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000372623484 280147213 /nfs/dbraw/zinc/14/72/13/280147213.db2.gz ANZYWIMMRMJWBV-CZUORRHYSA-N 1 2 318.373 0.760 10 0 DCAELO CC(C)[C@H](C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)N1CCCC1=O ZINC000172746704 280156852 /nfs/dbraw/zinc/15/68/52/280156852.db2.gz OCRKZTQQSRIFHS-GDBMZVCRSA-N 1 2 323.437 0.567 10 0 DCAELO CC(C)[C@H](C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)N1CCCC1=O ZINC000172746697 280159754 /nfs/dbraw/zinc/15/97/54/280159754.db2.gz OCRKZTQQSRIFHS-GOEBONIOSA-N 1 2 323.437 0.567 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)C[C@@H](C)O1 ZINC000329280845 288232489 /nfs/dbraw/zinc/23/24/89/288232489.db2.gz DUOAHCVLCOXORT-IJLUTSLNSA-N 1 2 314.411 0.901 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)N2CCn3cc[nH+]c3C2)C[C@@H](C)O1 ZINC000329672292 288235281 /nfs/dbraw/zinc/23/52/81/288235281.db2.gz NMPFCSOSAABJKW-GHMZBOCLSA-N 1 2 300.384 0.053 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)N2CCn3cc[nH+]c3C2)C[C@H](C)O1 ZINC000329672293 288235297 /nfs/dbraw/zinc/23/52/97/288235297.db2.gz NMPFCSOSAABJKW-PHIMTYICSA-N 1 2 300.384 0.053 10 0 DCAELO O=C(NC[C@@H]1CCC[C@H](O)C1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000552743951 288280011 /nfs/dbraw/zinc/28/00/11/288280011.db2.gz NPYDPSZLGBKGNJ-YPMHNXCESA-N 1 2 316.361 0.940 10 0 DCAELO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CCO1 ZINC000552779491 288280522 /nfs/dbraw/zinc/28/05/22/288280522.db2.gz DZNCHVJAKNAEQB-GHMZBOCLSA-N 1 2 302.334 0.957 10 0 DCAELO CC[C@@H]1CN(C(=O)c2ncc(OC)cn2)C[C@H]1[NH+]1CCOCC1 ZINC000556393097 288376335 /nfs/dbraw/zinc/37/63/35/288376335.db2.gz CDGUFNVBGPDBEW-TZMCWYRMSA-N 1 2 320.393 0.668 10 0 DCAELO O=C(NC[C@@]1(O)CCSC1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000557377587 288418505 /nfs/dbraw/zinc/41/85/05/288418505.db2.gz NACXXNAUIXOPMH-AWEZNQCLSA-N 1 2 320.374 0.257 10 0 DCAELO C[N@@H+]1CCO[C@@H](C(=O)N2CCCC[C@@H]2CN2CCOCC2)C1 ZINC000081043304 290073740 /nfs/dbraw/zinc/07/37/40/290073740.db2.gz QFOSOWPAOBGUEV-HUUCEWRRSA-N 1 2 311.426 0.030 10 0 DCAELO C[N@H+]1CCO[C@@H](C(=O)N2CCCC[C@@H]2CN2CCOCC2)C1 ZINC000081043304 290073741 /nfs/dbraw/zinc/07/37/41/290073741.db2.gz QFOSOWPAOBGUEV-HUUCEWRRSA-N 1 2 311.426 0.030 10 0 DCAELO COC[C@H](C)S(=O)(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000246170597 293048471 /nfs/dbraw/zinc/04/84/71/293048471.db2.gz MPGKNPDKXQMOSL-KBPBESRZSA-N 1 2 320.455 0.538 10 0 DCAELO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1S(=O)(=O)[C@H]1CCCOC1 ZINC000329054965 297266518 /nfs/dbraw/zinc/26/65/18/297266518.db2.gz HXAHPFQZZJLBLA-MCIONIFRSA-N 1 2 318.439 0.290 10 0 DCAELO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC000329552048 297807878 /nfs/dbraw/zinc/80/78/78/297807878.db2.gz GAVGQTSXBAVOLP-FVCCEPFGSA-N 1 2 311.382 0.391 10 0 DCAELO C[C@H](CC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1)N1CCCCC1=O ZINC000328869264 298296316 /nfs/dbraw/zinc/29/63/16/298296316.db2.gz HNYCXUIJIIMOQU-QLFBSQMISA-N 1 2 323.437 0.709 10 0 DCAELO C[C@H](CC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1)N1CCCCC1=O ZINC000328869264 298296320 /nfs/dbraw/zinc/29/63/20/298296320.db2.gz HNYCXUIJIIMOQU-QLFBSQMISA-N 1 2 323.437 0.709 10 0 DCAELO Cn1cc[nH+]c1[C@H]1CN(C(=O)N[C@@H]2CCCOCC2)CCN1C ZINC000275386677 303006981 /nfs/dbraw/zinc/00/69/81/303006981.db2.gz AJGHAOFMYMQMNZ-ZIAGYGMSSA-N 1 2 321.425 0.987 10 0 DCAELO C[C@H]1OCCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)[C@@H]1C ZINC000582539829 337106688 /nfs/dbraw/zinc/10/66/88/337106688.db2.gz FIYXXMAUYHCASU-GHMZBOCLSA-N 1 2 302.334 0.909 10 0 DCAELO CCn1cc[nH+]c1CNC(=O)[C@H]1COCCN1CC(F)F ZINC000576171631 341831183 /nfs/dbraw/zinc/83/11/83/341831183.db2.gz RZJAARHWYLCTTI-SNVBAGLBSA-N 1 2 302.325 0.485 10 0 DCAELO CS[C@@H](C)CC(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000328634107 533889010 /nfs/dbraw/zinc/88/90/10/533889010.db2.gz MMUZOHSBGXOAMP-WDEREUQCSA-N 1 2 303.428 0.822 10 0 DCAELO CS[C@@H](C)CC(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000328634107 533889018 /nfs/dbraw/zinc/88/90/18/533889018.db2.gz MMUZOHSBGXOAMP-WDEREUQCSA-N 1 2 303.428 0.822 10 0 DCAELO CC(C)CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247067751 519659117 /nfs/dbraw/zinc/65/91/17/519659117.db2.gz KPRFRQJIEYVZMM-VXGBXAGGSA-N 1 2 305.444 0.161 10 0 DCAELO CC(C)CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247067751 519659120 /nfs/dbraw/zinc/65/91/20/519659120.db2.gz KPRFRQJIEYVZMM-VXGBXAGGSA-N 1 2 305.444 0.161 10 0 DCAELO CC(C)Nc1ncccc1C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000128060588 519742374 /nfs/dbraw/zinc/74/23/74/519742374.db2.gz ZLTTUWAPEYSALG-ZDUSSCGKSA-N 1 2 322.409 0.325 10 0 DCAELO CC(C)n1nnnc1C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000105800441 520142747 /nfs/dbraw/zinc/14/27/47/520142747.db2.gz KQJGSEIXGCPULL-UHFFFAOYSA-N 1 2 302.386 0.756 10 0 DCAELO CC(C)n1nnnc1C[N@H+]1CCCN(c2cccnn2)CC1 ZINC000105800441 520142757 /nfs/dbraw/zinc/14/27/57/520142757.db2.gz KQJGSEIXGCPULL-UHFFFAOYSA-N 1 2 302.386 0.756 10 0 DCAELO COC(=O)[C@@H]1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)C[C@@H]1C ZINC000365041526 523709243 /nfs/dbraw/zinc/70/92/43/523709243.db2.gz RNUHUOMAMAIEGZ-YNEHKIRRSA-N 1 2 313.398 0.158 10 0 DCAELO COC(=O)[C@@H]1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1C ZINC000365041526 523709249 /nfs/dbraw/zinc/70/92/49/523709249.db2.gz RNUHUOMAMAIEGZ-YNEHKIRRSA-N 1 2 313.398 0.158 10 0 DCAELO Cc1cccc(C[C@H](CO)NC(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000188045471 524468179 /nfs/dbraw/zinc/46/81/79/524468179.db2.gz GJTNGNPOYDNPQI-CVEARBPZSA-N 1 2 321.421 0.528 10 0 DCAELO Cc1cccc(C[C@H](CO)NC(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000188045471 524468187 /nfs/dbraw/zinc/46/81/87/524468187.db2.gz GJTNGNPOYDNPQI-CVEARBPZSA-N 1 2 321.421 0.528 10 0 DCAELO C[C@H](C(=O)NCC(F)(F)F)[NH+]1CCC(n2cncn2)CC1 ZINC000157759014 526037287 /nfs/dbraw/zinc/03/72/87/526037287.db2.gz CAJOKLUNSDBONW-SECBINFHSA-N 1 2 305.304 0.982 10 0 DCAELO C[C@@H](c1cnn(C)c1)[N@H+](C)CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000246214154 526160781 /nfs/dbraw/zinc/16/07/81/526160781.db2.gz XTHNWSNYEFZDHB-NWDGAFQWSA-N 1 2 307.398 0.137 10 0 DCAELO C[C@@H](c1cnn(C)c1)[N@@H+](C)CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000246214154 526160794 /nfs/dbraw/zinc/16/07/94/526160794.db2.gz XTHNWSNYEFZDHB-NWDGAFQWSA-N 1 2 307.398 0.137 10 0 DCAELO Cn1c2cccc(C(=O)NC[C@H]3C[N@H+](C)CCO3)c2oc1=O ZINC000161679164 527107871 /nfs/dbraw/zinc/10/78/71/527107871.db2.gz ZGFUDKLIZIMHPS-JTQLQIEISA-N 1 2 305.334 0.192 10 0 DCAELO Cn1c2cccc(C(=O)NC[C@H]3C[N@@H+](C)CCO3)c2oc1=O ZINC000161679164 527107877 /nfs/dbraw/zinc/10/78/77/527107877.db2.gz ZGFUDKLIZIMHPS-JTQLQIEISA-N 1 2 305.334 0.192 10 0 DCAELO OC[C@H]1CCCN1c1cc(NCC2(CO)CCOCC2)[nH+]cn1 ZINC000164081118 527616909 /nfs/dbraw/zinc/61/69/09/527616909.db2.gz KTAGZBVSQLHOEG-CYBMUJFWSA-N 1 2 322.409 0.639 10 0 DCAELO OC[C@H]1CCCN1c1cc(NCC2(CO)CCOCC2)nc[nH+]1 ZINC000164081118 527616913 /nfs/dbraw/zinc/61/69/13/527616913.db2.gz KTAGZBVSQLHOEG-CYBMUJFWSA-N 1 2 322.409 0.639 10 0 DCAELO CC[C@]1(C)C[N@@H+]([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)CCO1 ZINC000135624163 545804349 /nfs/dbraw/zinc/80/43/49/545804349.db2.gz XSJVFBODXLEUAS-BLLLJJGKSA-N 1 2 311.426 0.613 10 0 DCAELO CC[C@]1(C)C[N@H+]([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)CCO1 ZINC000135624163 545804356 /nfs/dbraw/zinc/80/43/56/545804356.db2.gz XSJVFBODXLEUAS-BLLLJJGKSA-N 1 2 311.426 0.613 10 0 DCAELO COc1ccc([C@H](C)[NH2+]Cc2nc(N)nc(N)n2)cc1OC ZINC000180861146 545902562 /nfs/dbraw/zinc/90/25/62/545902562.db2.gz FWPHDSHMXQBAFO-QMMMGPOBSA-N 1 2 304.354 0.904 10 0 DCAELO COc1cc(N2CC[NH+](CC(=O)N(C)CC3CC3)CC2)ncn1 ZINC000184066997 545909751 /nfs/dbraw/zinc/90/97/51/545909751.db2.gz NRJXZTIGBAJCCI-UHFFFAOYSA-N 1 2 319.409 0.476 10 0 DCAELO CN(C)c1noc(C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)n1 ZINC000185247966 545912472 /nfs/dbraw/zinc/91/24/72/545912472.db2.gz XRGMHMXSFCTJPW-LBPRGKRZSA-N 1 2 307.398 0.874 10 0 DCAELO CN(C)c1noc(C[N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)n1 ZINC000185247966 545912475 /nfs/dbraw/zinc/91/24/75/545912475.db2.gz XRGMHMXSFCTJPW-LBPRGKRZSA-N 1 2 307.398 0.874 10 0 DCAELO CCn1cnc2c(c1=O)CC[N@H+](Cc1ncnn1C(C)C)C2 ZINC000329179860 546043993 /nfs/dbraw/zinc/04/39/93/546043993.db2.gz MUYCRFBGELAFQF-UHFFFAOYSA-N 1 2 302.382 0.994 10 0 DCAELO CCn1cnc2c(c1=O)CC[N@@H+](Cc1ncnn1C(C)C)C2 ZINC000329179860 546043997 /nfs/dbraw/zinc/04/39/97/546043997.db2.gz MUYCRFBGELAFQF-UHFFFAOYSA-N 1 2 302.382 0.994 10 0 DCAELO O=S(=O)(N1CCCC1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000329741298 546055053 /nfs/dbraw/zinc/05/50/53/546055053.db2.gz OMZREZXQKRXBBN-AWEZNQCLSA-N 1 2 317.455 0.514 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)c2ccccc2Cn2ccnn2)C1 ZINC000667605395 546627338 /nfs/dbraw/zinc/62/73/38/546627338.db2.gz GMCQTWXMFRGYGO-CQSZACIVSA-N 1 2 315.377 0.387 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)c2ccccc2Cn2ccnn2)C1 ZINC000667605395 546627342 /nfs/dbraw/zinc/62/73/42/546627342.db2.gz GMCQTWXMFRGYGO-CQSZACIVSA-N 1 2 315.377 0.387 10 0 DCAELO CC(C)(C)n1cc(C[N@@H+]2CC[C@@](O)(Cn3ccnn3)C2)nn1 ZINC000671492748 547225194 /nfs/dbraw/zinc/22/51/94/547225194.db2.gz IZZLOAKMNXOVAE-AWEZNQCLSA-N 1 2 305.386 0.262 10 0 DCAELO CC(C)(C)n1cc(C[N@H+]2CC[C@@](O)(Cn3ccnn3)C2)nn1 ZINC000671492748 547225196 /nfs/dbraw/zinc/22/51/96/547225196.db2.gz IZZLOAKMNXOVAE-AWEZNQCLSA-N 1 2 305.386 0.262 10 0 DCAELO CC(C)(C)n1cc(C[N@@H+]2CC[C@](O)(Cn3ccnn3)C2)nn1 ZINC000671492749 547225794 /nfs/dbraw/zinc/22/57/94/547225794.db2.gz IZZLOAKMNXOVAE-CQSZACIVSA-N 1 2 305.386 0.262 10 0 DCAELO CC(C)(C)n1cc(C[N@H+]2CC[C@](O)(Cn3ccnn3)C2)nn1 ZINC000671492749 547225796 /nfs/dbraw/zinc/22/57/96/547225796.db2.gz IZZLOAKMNXOVAE-CQSZACIVSA-N 1 2 305.386 0.262 10 0 DCAELO Cn1ccsc1=NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000255377878 657553355 /nfs/dbraw/zinc/55/33/55/657553355.db2.gz FTKXNWNIMUSNJN-UHFFFAOYSA-N 1 2 317.418 0.975 10 0 DCAELO CC(=O)N1CSC[C@@H]1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000345452022 663087525 /nfs/dbraw/zinc/08/75/25/663087525.db2.gz RMPXUQIFCOLJIY-ZIAGYGMSSA-N 1 2 321.402 0.983 10 0 DCAELO CC(C)n1c[nH+]cc1CN1CCN([C@]2(C(N)=O)CCOC2)CC1 ZINC000886026739 667725339 /nfs/dbraw/zinc/72/53/39/667725339.db2.gz SKAAEACOMRKLCP-MRXNPFEDSA-N 1 2 321.425 0.226 10 0 DCAELO Cn1cnnc1C[C@]1(O)CCC[N@H+](Cc2c(Cl)cnn2C)C1 ZINC000886088785 667730911 /nfs/dbraw/zinc/73/09/11/667730911.db2.gz MMGRXDKPQFIZAF-CQSZACIVSA-N 1 2 324.816 0.772 10 0 DCAELO Cn1cnnc1C[C@]1(O)CCC[N@@H+](Cc2c(Cl)cnn2C)C1 ZINC000886088785 667730914 /nfs/dbraw/zinc/73/09/14/667730914.db2.gz MMGRXDKPQFIZAF-CQSZACIVSA-N 1 2 324.816 0.772 10 0 DCAELO C[C@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000187301112 668254266 /nfs/dbraw/zinc/25/42/66/668254266.db2.gz ZQWZZXCUJCBUGY-JTQLQIEISA-N 1 2 311.313 0.873 10 0 DCAELO C[C@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000187301112 668254270 /nfs/dbraw/zinc/25/42/70/668254270.db2.gz ZQWZZXCUJCBUGY-JTQLQIEISA-N 1 2 311.313 0.873 10 0 DCAELO Cc1n[nH]cc1S(=O)(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000720485502 685313028 /nfs/dbraw/zinc/31/30/28/685313028.db2.gz VNOJSRLWNKTLHO-MNOVXSKESA-N 1 2 316.452 0.576 10 0 DCAELO Cc1n[nH]cc1S(=O)(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000720485502 685313032 /nfs/dbraw/zinc/31/30/32/685313032.db2.gz VNOJSRLWNKTLHO-MNOVXSKESA-N 1 2 316.452 0.576 10 0 DCAELO O=S(=O)(N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)c1ncc[nH]1 ZINC000720477398 685313626 /nfs/dbraw/zinc/31/36/26/685313626.db2.gz TYYVGHJOGBGODK-UWVGGRQHSA-N 1 2 302.425 0.268 10 0 DCAELO O=S(=O)(N[C@H]1CCC[N@H+]2CCSC[C@@H]12)c1ncc[nH]1 ZINC000720477398 685313632 /nfs/dbraw/zinc/31/36/32/685313632.db2.gz TYYVGHJOGBGODK-UWVGGRQHSA-N 1 2 302.425 0.268 10 0 DCAELO C[C@H]1C[C@H]([NH2+]Cc2nnn(C)n2)CN(C(=O)OC(C)(C)C)C1 ZINC000401679617 774062940 /nfs/dbraw/zinc/06/29/40/774062940.db2.gz QNFHFOPVVGSNFD-QWRGUYRKSA-N 1 2 310.402 0.945 10 0 DCAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)Nc1ccc2[nH]ccc2c1 ZINC000092602482 185328604 /nfs/dbraw/zinc/32/86/04/185328604.db2.gz CTQAOYFJSZRJOP-AWEZNQCLSA-N 1 2 318.377 0.983 10 0 DCAELO C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)NCCC2=CCCC2)CCO1 ZINC000275788611 529852399 /nfs/dbraw/zinc/85/23/99/529852399.db2.gz UAQCKXJOFBPCQI-AWEZNQCLSA-N 1 2 324.425 0.314 10 0 DCAELO C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)NCCC2=CCCC2)CCO1 ZINC000275788611 529852400 /nfs/dbraw/zinc/85/24/00/529852400.db2.gz UAQCKXJOFBPCQI-AWEZNQCLSA-N 1 2 324.425 0.314 10 0 DCAELO CNC(=O)[C@H](NC(=O)NCc1ccc[nH+]c1N(C)C)C(C)C ZINC000178441822 529919907 /nfs/dbraw/zinc/91/99/07/529919907.db2.gz VUDDFTZELSHCFT-GFCCVEGCSA-N 1 2 307.398 0.717 10 0 DCAELO C[C@@H](NC(=O)Nc1ccccc1OCCn1cc[nH+]c1)C(N)=O ZINC000172449990 198098617 /nfs/dbraw/zinc/09/86/17/198098617.db2.gz BEJDYFASNIGEDC-LLVKDONJSA-N 1 2 317.349 0.957 10 0 DCAELO COCc1cc(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)no1 ZINC000173407388 198211661 /nfs/dbraw/zinc/21/16/61/198211661.db2.gz LUHLWBZSSLSAKL-RISCZKNCSA-N 1 2 309.366 0.614 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc4c(c3)OCO4)C[C@@H]21 ZINC000283936599 283027873 /nfs/dbraw/zinc/02/78/73/283027873.db2.gz FLKBRMANVVIJRD-STQMWFEESA-N 1 2 304.346 0.960 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc4c(c3)OCO4)C[C@@H]21 ZINC000283936599 283027874 /nfs/dbraw/zinc/02/78/74/283027874.db2.gz FLKBRMANVVIJRD-STQMWFEESA-N 1 2 304.346 0.960 10 0 DCAELO COc1n[nH]c(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000179366779 199022200 /nfs/dbraw/zinc/02/22/00/199022200.db2.gz KLGPLYHDAMEWON-LBPRGKRZSA-N 1 2 317.349 0.653 10 0 DCAELO COc1n[nH]c(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000179366779 199022203 /nfs/dbraw/zinc/02/22/03/199022203.db2.gz KLGPLYHDAMEWON-LBPRGKRZSA-N 1 2 317.349 0.653 10 0 DCAELO C[C@H]1CN(S(=O)(=O)c2c(F)cccc2F)CC[N@@H+]1CCO ZINC000188730880 200295817 /nfs/dbraw/zinc/29/58/17/200295817.db2.gz IBZSGBQDHAVETN-JTQLQIEISA-N 1 2 320.361 0.652 10 0 DCAELO C[C@H]1CN(S(=O)(=O)c2c(F)cccc2F)CC[N@H+]1CCO ZINC000188730880 200295819 /nfs/dbraw/zinc/29/58/19/200295819.db2.gz IBZSGBQDHAVETN-JTQLQIEISA-N 1 2 320.361 0.652 10 0 DCAELO COCCc1cc(NC(=O)[C@@H](C)[NH+]2CCSCC2)n(C)n1 ZINC000153972069 291209862 /nfs/dbraw/zinc/20/98/62/291209862.db2.gz NTGJGQMTYBYVKV-LLVKDONJSA-N 1 2 312.439 0.985 10 0 DCAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1nc2ccccc2s1 ZINC000154129237 291210756 /nfs/dbraw/zinc/21/07/56/291210756.db2.gz BIXHGJRJAOEOQB-LLVKDONJSA-N 1 2 321.402 0.719 10 0 DCAELO C[C@@H](C[NH+]1CCN(c2nccs2)CC1)CS(C)(=O)=O ZINC000162665187 291244638 /nfs/dbraw/zinc/24/46/38/291244638.db2.gz QOVPSDSASLFIIU-NSHDSACASA-N 1 2 303.453 0.946 10 0 DCAELO CNc1nc(N[C@@H]2CCS(=O)(=O)C2)[nH+]cc1Br ZINC000130809190 283700762 /nfs/dbraw/zinc/70/07/62/283700762.db2.gz FARKGBFWRBBEQD-ZCFIWIBFSA-N 1 2 321.200 0.880 10 0 DCAELO COC(=O)[C@@H](c1cccnc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000153558758 291297539 /nfs/dbraw/zinc/29/75/39/291297539.db2.gz DYWAXQLFOVHSPO-LSDHHAIUSA-N 1 2 305.378 0.702 10 0 DCAELO O=C(NCC1([NH+]2CCOCC2)CC1)c1cccc2ncnn21 ZINC000572820296 291590663 /nfs/dbraw/zinc/59/06/63/291590663.db2.gz XWEDHFSZEUSMNV-UHFFFAOYSA-N 1 2 301.350 0.324 10 0 DCAELO Cc1cc(C)n(CCCNC(=O)NC[C@@H]2C[N@H+](C)CCO2)n1 ZINC000104799308 194042311 /nfs/dbraw/zinc/04/23/11/194042311.db2.gz XHGUDDLWZLNOBH-CQSZACIVSA-N 1 2 309.414 0.520 10 0 DCAELO Cc1cc(C)n(CCCNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000104799308 194042313 /nfs/dbraw/zinc/04/23/13/194042313.db2.gz XHGUDDLWZLNOBH-CQSZACIVSA-N 1 2 309.414 0.520 10 0 DCAELO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000106429623 194212852 /nfs/dbraw/zinc/21/28/52/194212852.db2.gz SBDNEYWVBNELFX-KGLIPLIRSA-N 1 2 310.419 0.463 10 0 DCAELO COCC[N@@H+]1CCN(S(=O)(=O)CC2CCOCC2)C[C@H]1C ZINC000173167026 532970167 /nfs/dbraw/zinc/97/01/67/532970167.db2.gz JRGFWNZSQKKDLC-CYBMUJFWSA-N 1 2 320.455 0.395 10 0 DCAELO COCC[N@H+]1CCN(S(=O)(=O)CC2CCOCC2)C[C@H]1C ZINC000173167026 532970169 /nfs/dbraw/zinc/97/01/69/532970169.db2.gz JRGFWNZSQKKDLC-CYBMUJFWSA-N 1 2 320.455 0.395 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)NCC[C@@H](C)O)nc[nH+]1 ZINC000173424812 252595639 /nfs/dbraw/zinc/59/56/39/252595639.db2.gz SXJYZSYGXWJFDH-NEPJUHHUSA-N 1 2 322.413 0.557 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)NCC[C@@H](C)O)[nH+]cn1 ZINC000173424812 252595641 /nfs/dbraw/zinc/59/56/41/252595641.db2.gz SXJYZSYGXWJFDH-NEPJUHHUSA-N 1 2 322.413 0.557 10 0 DCAELO COc1cnc(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)nc1 ZINC000283855877 131029598 /nfs/dbraw/zinc/02/95/98/131029598.db2.gz HUXOUQFVGXMISK-GFCCVEGCSA-N 1 2 321.381 0.814 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc4n[nH]nc4c3)C[C@@H]21 ZINC000284387493 131076084 /nfs/dbraw/zinc/07/60/84/131076084.db2.gz BBFPYFMEKMVTNC-UONOGXRCSA-N 1 2 301.350 0.503 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc4n[nH]nc4c3)C[C@@H]21 ZINC000284387493 131076086 /nfs/dbraw/zinc/07/60/86/131076086.db2.gz BBFPYFMEKMVTNC-UONOGXRCSA-N 1 2 301.350 0.503 10 0 DCAELO CC[C@@]1(C)C[N@@H+]([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)CCO1 ZINC000135624188 545806940 /nfs/dbraw/zinc/80/69/40/545806940.db2.gz XSJVFBODXLEUAS-LRDDRELGSA-N 1 2 311.426 0.613 10 0 DCAELO CC[C@@]1(C)C[N@H+]([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)CCO1 ZINC000135624188 545806942 /nfs/dbraw/zinc/80/69/42/545806942.db2.gz XSJVFBODXLEUAS-LRDDRELGSA-N 1 2 311.426 0.613 10 0 DCAELO CS(=O)(=O)c1ccc(NC2CC[NH+](CC(N)=O)CC2)cc1 ZINC000038007302 395730415 /nfs/dbraw/zinc/73/04/15/395730415.db2.gz SLAGMRFSUWYPIE-UHFFFAOYSA-N 1 2 311.407 0.452 10 0 DCAELO Cn1ncc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)c1-n1cccc1 ZINC000194617077 395802584 /nfs/dbraw/zinc/80/25/84/395802584.db2.gz KFEBPJGJEXYYAY-GFCCVEGCSA-N 1 2 303.366 0.271 10 0 DCAELO Cn1ncc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1-n1cccc1 ZINC000194617077 395802587 /nfs/dbraw/zinc/80/25/87/395802587.db2.gz KFEBPJGJEXYYAY-GFCCVEGCSA-N 1 2 303.366 0.271 10 0 DCAELO CCOC(=O)CN(C)C(=O)C[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000111219427 395803250 /nfs/dbraw/zinc/80/32/50/395803250.db2.gz HNQMFMKHNMIXBI-ZDUSSCGKSA-N 1 2 308.382 0.579 10 0 DCAELO CCOC(=O)CN(C)C(=O)C[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000111219427 395803254 /nfs/dbraw/zinc/80/32/54/395803254.db2.gz HNQMFMKHNMIXBI-ZDUSSCGKSA-N 1 2 308.382 0.579 10 0 DCAELO Cc1nc2ccccc2n1CC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000194723388 395805980 /nfs/dbraw/zinc/80/59/80/395805980.db2.gz QWSPCVPJACAASX-CYBMUJFWSA-N 1 2 302.378 0.792 10 0 DCAELO Cc1nc2ccccc2n1CC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000194723388 395805984 /nfs/dbraw/zinc/80/59/84/395805984.db2.gz QWSPCVPJACAASX-CYBMUJFWSA-N 1 2 302.378 0.792 10 0 DCAELO C[N@@H+]1CCO[C@@H](CN[C@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000112548674 395819014 /nfs/dbraw/zinc/81/90/14/395819014.db2.gz HLPJAGLFVTTZPK-HOTGVXAUSA-N 1 2 303.406 0.927 10 0 DCAELO C[N@H+]1CCO[C@@H](CN[C@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000112548674 395819015 /nfs/dbraw/zinc/81/90/15/395819015.db2.gz HLPJAGLFVTTZPK-HOTGVXAUSA-N 1 2 303.406 0.927 10 0 DCAELO NC(=O)[C@@H]1CCCN(C(=O)C[NH+]2CCC(c3ccn[nH]3)CC2)C1 ZINC000195505893 395830054 /nfs/dbraw/zinc/83/00/54/395830054.db2.gz OROBGEKDRDABDM-CYBMUJFWSA-N 1 2 319.409 0.313 10 0 DCAELO CCC(C)(C)NC(=O)CN1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000049976192 395835209 /nfs/dbraw/zinc/83/52/09/395835209.db2.gz CYDLABAQCXVWAC-UHFFFAOYSA-N 1 2 324.469 0.531 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2cc(F)cc(F)c2)C1 ZINC000118115340 395860175 /nfs/dbraw/zinc/86/01/75/395860175.db2.gz ZMMKWFLMULURMW-LBPRGKRZSA-N 1 2 313.304 0.350 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2cc(F)cc(F)c2)C1 ZINC000118115340 395860180 /nfs/dbraw/zinc/86/01/80/395860180.db2.gz ZMMKWFLMULURMW-LBPRGKRZSA-N 1 2 313.304 0.350 10 0 DCAELO CS(=O)(=O)N[C@H]1CC[N@H+](C[C@H](O)c2cc(F)ccc2F)C1 ZINC000116890313 395849074 /nfs/dbraw/zinc/84/90/74/395849074.db2.gz RNKGKSKWBPSSOL-GWCFXTLKSA-N 1 2 320.361 0.622 10 0 DCAELO CS(=O)(=O)N[C@H]1CC[N@@H+](C[C@H](O)c2cc(F)ccc2F)C1 ZINC000116890313 395849075 /nfs/dbraw/zinc/84/90/75/395849075.db2.gz RNKGKSKWBPSSOL-GWCFXTLKSA-N 1 2 320.361 0.622 10 0 DCAELO CC(C)CC(=O)N[C@@H](C(=O)NC[C@H]1C[N@H+](C)CCO1)C(C)C ZINC000194607391 395801297 /nfs/dbraw/zinc/80/12/97/395801297.db2.gz RLLDEDNEBXJXIP-DZGCQCFKSA-N 1 2 313.442 0.620 10 0 DCAELO CC(C)CC(=O)N[C@@H](C(=O)NC[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC000194607391 395801299 /nfs/dbraw/zinc/80/12/99/395801299.db2.gz RLLDEDNEBXJXIP-DZGCQCFKSA-N 1 2 313.442 0.620 10 0 DCAELO C[C@@H](CNC(=O)N[C@@H](CO)c1ccccc1)[NH+]1CCOCC1 ZINC000123117645 395892022 /nfs/dbraw/zinc/89/20/22/395892022.db2.gz WILUMYRAHWKCGQ-ZFWWWQNUSA-N 1 2 307.394 0.740 10 0 DCAELO C[C@H](CNC(=O)N[C@@H](CO)c1ccccc1)[NH+]1CCOCC1 ZINC000123117877 395892375 /nfs/dbraw/zinc/89/23/75/395892375.db2.gz WILUMYRAHWKCGQ-HIFRSBDPSA-N 1 2 307.394 0.740 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@]2(O)CCc3ccccc32)C1 ZINC000125682458 395905036 /nfs/dbraw/zinc/90/50/36/395905036.db2.gz LHDTWHFFJDZQKJ-WMLDXEAASA-N 1 2 319.405 0.450 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)NC[C@]2(O)CCc3ccccc32)C1 ZINC000125682458 395905038 /nfs/dbraw/zinc/90/50/38/395905038.db2.gz LHDTWHFFJDZQKJ-WMLDXEAASA-N 1 2 319.405 0.450 10 0 DCAELO COc1ccc(-c2nnc(CNC(=O)[C@H]3COCC[NH2+]3)[nH]2)cc1 ZINC000237482505 395913541 /nfs/dbraw/zinc/91/35/41/395913541.db2.gz WVGWEQCCSUFPAJ-GFCCVEGCSA-N 1 2 317.349 0.085 10 0 DCAELO COc1ccc(-c2n[nH]c(CNC(=O)[C@H]3COCC[NH2+]3)n2)cc1 ZINC000237482505 395913545 /nfs/dbraw/zinc/91/35/45/395913545.db2.gz WVGWEQCCSUFPAJ-GFCCVEGCSA-N 1 2 317.349 0.085 10 0 DCAELO CCC[N@H+](CC(=O)NC(N)=O)[C@@H](C)C(=O)Nc1ccccc1 ZINC000120032328 395880900 /nfs/dbraw/zinc/88/09/00/395880900.db2.gz SLJMSUMYTUMAGK-NSHDSACASA-N 1 2 306.366 0.921 10 0 DCAELO CCC[N@@H+](CC(=O)NC(N)=O)[C@@H](C)C(=O)Nc1ccccc1 ZINC000120032328 395880902 /nfs/dbraw/zinc/88/09/02/395880902.db2.gz SLJMSUMYTUMAGK-NSHDSACASA-N 1 2 306.366 0.921 10 0 DCAELO Cc1cc(C)n(C[C@@H]2CN([C@H](C)C[NH+]3CCOCC3)CCO2)n1 ZINC000245983998 395939460 /nfs/dbraw/zinc/93/94/60/395939460.db2.gz HDZBVVHMWVMATN-SJORKVTESA-N 1 2 322.453 0.921 10 0 DCAELO CN1CCN(c2cc(N3CCCSCC3)[nH+]cn2)CC1=O ZINC000274332045 395940347 /nfs/dbraw/zinc/94/03/47/395940347.db2.gz GBAZKTMCASILNP-UHFFFAOYSA-N 1 2 307.423 0.698 10 0 DCAELO CN1CCN(c2cc(N3CCCSCC3)nc[nH+]2)CC1=O ZINC000274332045 395940349 /nfs/dbraw/zinc/94/03/49/395940349.db2.gz GBAZKTMCASILNP-UHFFFAOYSA-N 1 2 307.423 0.698 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)Cn2cc(-c3ccccc3)nn2)C1 ZINC000135441820 395940625 /nfs/dbraw/zinc/94/06/25/395940625.db2.gz KGTRHUSDWMJWNE-AWEZNQCLSA-N 1 2 315.377 0.392 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)Cn2cc(-c3ccccc3)nn2)C1 ZINC000135441820 395940626 /nfs/dbraw/zinc/94/06/26/395940626.db2.gz KGTRHUSDWMJWNE-AWEZNQCLSA-N 1 2 315.377 0.392 10 0 DCAELO C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+]1CCCNC(=O)[C@H]1C ZINC000248951197 396000137 /nfs/dbraw/zinc/00/01/37/396000137.db2.gz DAXBFRJMHSKSTK-JHJVBQTASA-N 1 2 324.425 0.601 10 0 DCAELO C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+]1CCCNC(=O)[C@H]1C ZINC000248951197 396000139 /nfs/dbraw/zinc/00/01/39/396000139.db2.gz DAXBFRJMHSKSTK-JHJVBQTASA-N 1 2 324.425 0.601 10 0 DCAELO Cc1cc(NC(=O)C[N@@H+]2CCS[C@H]3COCC[C@H]32)n(C)n1 ZINC000247310558 395971501 /nfs/dbraw/zinc/97/15/01/395971501.db2.gz 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ZINC000248822142 395997613 /nfs/dbraw/zinc/99/76/13/395997613.db2.gz JMKAASVTHNFTBA-QJPTWQEYSA-N 1 2 304.412 0.199 10 0 DCAELO CN(CCCn1cc[nH+]c1)C(=O)CNC(=O)c1cccnc1 ZINC000154780097 396041997 /nfs/dbraw/zinc/04/19/97/396041997.db2.gz OABPINNNBCIFSQ-UHFFFAOYSA-N 1 2 301.350 0.557 10 0 DCAELO C[C@@H]1CCN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)CC[S@@]1=O ZINC000277231551 396057038 /nfs/dbraw/zinc/05/70/38/396057038.db2.gz SWAOWZFJLPYFPI-IFMYKAFSSA-N 1 2 324.450 0.785 10 0 DCAELO C[C@@H]1CCN(c2cc(N3CCC[C@H]3CO)nc[nH+]2)CC[S@@]1=O ZINC000277231551 396057043 /nfs/dbraw/zinc/05/70/43/396057043.db2.gz SWAOWZFJLPYFPI-IFMYKAFSSA-N 1 2 324.450 0.785 10 0 DCAELO CC(=O)N1CCOC[C@H]1C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000155777800 396057194 /nfs/dbraw/zinc/05/71/94/396057194.db2.gz BIBZNILYENSADR-AWEZNQCLSA-N 1 2 316.361 0.506 10 0 DCAELO Cc1cc(C)n2nc(SC[C@H](O)C[NH+]3CCOCC3)nc2n1 ZINC000066237648 396003336 /nfs/dbraw/zinc/00/33/36/396003336.db2.gz HUVXEEFHJDJGHP-GFCCVEGCSA-N 1 2 323.422 0.526 10 0 DCAELO Cn1cc(CN2C[C@@H](F)C[C@H]2C[N@H+](C)[C@@H]2CCOC2=O)cn1 ZINC000276677521 396021003 /nfs/dbraw/zinc/02/10/03/396021003.db2.gz ZNJDAWQQWHALBT-MELADBBJSA-N 1 2 310.373 0.580 10 0 DCAELO Cn1cc(CN2C[C@@H](F)C[C@H]2C[N@@H+](C)[C@@H]2CCOC2=O)cn1 ZINC000276677521 396021005 /nfs/dbraw/zinc/02/10/05/396021005.db2.gz ZNJDAWQQWHALBT-MELADBBJSA-N 1 2 310.373 0.580 10 0 DCAELO O=C(NCCCN1CCOC1=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000170856452 396098790 /nfs/dbraw/zinc/09/87/90/396098790.db2.gz NJZJBYYMIDBPRY-UHFFFAOYSA-N 1 2 315.333 0.839 10 0 DCAELO C[C@@H](CNC(=O)NC[C@H](O)CC(C)(C)C)[NH+]1CCOCC1 ZINC000172282013 396130583 /nfs/dbraw/zinc/13/05/83/396130583.db2.gz AWYVRBGJVSMIPG-QWHCGFSZSA-N 1 2 301.431 0.803 10 0 DCAELO O=S(=O)(C[C@H]1CCOC1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261874008 396074465 /nfs/dbraw/zinc/07/44/65/396074465.db2.gz SSENKXMPBBPFLK-GXTWGEPZSA-N 1 2 311.407 0.394 10 0 DCAELO CC(C)[C@@H](C(=O)N[C@@H]1CCCNC1=O)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000069337655 396075272 /nfs/dbraw/zinc/07/52/72/396075272.db2.gz JRRUGLQYGKJMIJ-SYQHCUMBSA-N 1 2 311.426 0.515 10 0 DCAELO Cn1cc([C@H]2CN(C(=O)[C@@H]3CC(F)(F)C[NH2+]3)CCO2)cn1 ZINC000263219411 396206753 /nfs/dbraw/zinc/20/67/53/396206753.db2.gz LPCLWGUMQDYNNG-WDEREUQCSA-N 1 2 300.309 0.317 10 0 DCAELO COc1ccc([C@@H](O)CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)cc1 ZINC000262942842 396193282 /nfs/dbraw/zinc/19/32/82/396193282.db2.gz IYCWUTMSYLRXOM-NEPJUHHUSA-N 1 2 300.305 0.842 10 0 DCAELO O=C(CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)Nc1ccc(F)cc1 ZINC000263055585 396200016 /nfs/dbraw/zinc/20/00/16/396200016.db2.gz UXDBYJUOZXNWQK-JTQLQIEISA-N 1 2 301.268 0.878 10 0 DCAELO CCOCC[NH+]1CCN(C(=O)c2cc(C(=O)OC)co2)CC1 ZINC000183594985 396271510 /nfs/dbraw/zinc/27/15/10/396271510.db2.gz BTYYRFXADMWXGJ-UHFFFAOYSA-N 1 2 310.350 0.861 10 0 DCAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCc1cccc(C(N)=O)c1 ZINC000184241641 396289151 /nfs/dbraw/zinc/28/91/51/396289151.db2.gz ZZQUMTPPZFEWNW-OAHLLOKOSA-N 1 2 319.405 0.903 10 0 DCAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)NCc1cccc(C(N)=O)c1 ZINC000184241641 396289156 /nfs/dbraw/zinc/28/91/56/396289156.db2.gz ZZQUMTPPZFEWNW-OAHLLOKOSA-N 1 2 319.405 0.903 10 0 DCAELO CCn1cc(C[N@@H+]2CCCN(C(=O)C3(O)CCC3)CC2)cn1 ZINC000184756999 396304867 /nfs/dbraw/zinc/30/48/67/396304867.db2.gz SJAGZNFEMHTUQH-UHFFFAOYSA-N 1 2 306.410 0.852 10 0 DCAELO CCn1cc(C[N@H+]2CCCN(C(=O)C3(O)CCC3)CC2)cn1 ZINC000184756999 396304872 /nfs/dbraw/zinc/30/48/72/396304872.db2.gz SJAGZNFEMHTUQH-UHFFFAOYSA-N 1 2 306.410 0.852 10 0 DCAELO COC(=O)c1coc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000186341561 396347933 /nfs/dbraw/zinc/34/79/33/396347933.db2.gz VKIRGCGCFWUMPJ-GFCCVEGCSA-N 1 2 308.334 0.613 10 0 DCAELO COC(=O)C1(CNC(=O)NCc2ccc[nH+]c2N(C)C)CC1 ZINC000186592462 396353178 /nfs/dbraw/zinc/35/31/78/396353178.db2.gz ZVAVFWGYPCBQGZ-UHFFFAOYSA-N 1 2 306.366 0.900 10 0 DCAELO CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2cc(C)[nH]n2)CC1 ZINC000187258943 396366007 /nfs/dbraw/zinc/36/60/07/396366007.db2.gz KCWXICHPMYNETR-NSHDSACASA-N 1 2 308.386 0.074 10 0 DCAELO NC(=O)NC(=O)C[NH+]1CCC(O)(c2c(F)cccc2F)CC1 ZINC000186481853 396350471 /nfs/dbraw/zinc/35/04/71/396350471.db2.gz LFJDAYNMPURKDU-UHFFFAOYSA-N 1 2 313.304 0.443 10 0 DCAELO CC(C)C[C@@H](CO)N(C)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000188356790 396381844 /nfs/dbraw/zinc/38/18/44/396381844.db2.gz BRRGSYXBOMHFKA-KGLIPLIRSA-N 1 2 301.431 0.756 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2[nH]nnc2-c2ccccc2)C1 ZINC000189289608 396392527 /nfs/dbraw/zinc/39/25/27/396392527.db2.gz CTWVZJKMDQNQCQ-LBPRGKRZSA-N 1 2 301.350 0.532 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)c2[nH]nnc2-c2ccccc2)C1 ZINC000189289608 396392531 /nfs/dbraw/zinc/39/25/31/396392531.db2.gz CTWVZJKMDQNQCQ-LBPRGKRZSA-N 1 2 301.350 0.532 10 0 DCAELO COCCN1CCC[N@H+](Cc2cc(C(=O)OC)co2)CC1=O ZINC000190784007 396410867 /nfs/dbraw/zinc/41/08/67/396410867.db2.gz ZVAZJKSSRCBDLT-UHFFFAOYSA-N 1 2 310.350 0.747 10 0 DCAELO COCCN1CCC[N@@H+](Cc2cc(C(=O)OC)co2)CC1=O ZINC000190784007 396410870 /nfs/dbraw/zinc/41/08/70/396410870.db2.gz ZVAZJKSSRCBDLT-UHFFFAOYSA-N 1 2 310.350 0.747 10 0 DCAELO COCCN1CCC[N@H+](CC(=O)NCc2ccccc2)CC1=O ZINC000190798735 396411741 /nfs/dbraw/zinc/41/17/41/396411741.db2.gz JZXIWOKJBFGULP-UHFFFAOYSA-N 1 2 319.405 0.484 10 0 DCAELO COCCN1CCC[N@@H+](CC(=O)NCc2ccccc2)CC1=O ZINC000190798735 396411743 /nfs/dbraw/zinc/41/17/43/396411743.db2.gz JZXIWOKJBFGULP-UHFFFAOYSA-N 1 2 319.405 0.484 10 0 DCAELO C[C@H](C(=O)NCCc1cccs1)[N@@H+]1CCCN(C)C(=O)C1 ZINC000191134985 396415973 /nfs/dbraw/zinc/41/59/73/396415973.db2.gz AMCNCMJOCRWNOS-GFCCVEGCSA-N 1 2 309.435 0.959 10 0 DCAELO C[C@H](C(=O)NCCc1cccs1)[N@H+]1CCCN(C)C(=O)C1 ZINC000191134985 396415975 /nfs/dbraw/zinc/41/59/75/396415975.db2.gz AMCNCMJOCRWNOS-GFCCVEGCSA-N 1 2 309.435 0.959 10 0 DCAELO Cc1cc(-n2cc[nH+]c2)ccc1CN1CCOC[C@@H]1C(N)=O ZINC000192142801 396430204 /nfs/dbraw/zinc/43/02/04/396430204.db2.gz JOLKVELEVIVBKA-OAHLLOKOSA-N 1 2 300.362 0.867 10 0 DCAELO COc1ccnc(NC2CC[NH+]([C@@H](C)c3nnnn3C)CC2)n1 ZINC000192858153 396438816 /nfs/dbraw/zinc/43/88/16/396438816.db2.gz ZBIBMQXXHBZGDV-JTQLQIEISA-N 1 2 318.385 0.646 10 0 DCAELO O=C(C[N@@H+]1CCN2CCOC[C@@H]2C1)NCc1ccccc1F ZINC000371830116 396478242 /nfs/dbraw/zinc/47/82/42/396478242.db2.gz XVCCYZJHJPAJPV-AWEZNQCLSA-N 1 2 307.369 0.458 10 0 DCAELO O=C(C[N@H+]1CCN2CCOC[C@@H]2C1)NCc1ccccc1F ZINC000371830116 396478243 /nfs/dbraw/zinc/47/82/43/396478243.db2.gz XVCCYZJHJPAJPV-AWEZNQCLSA-N 1 2 307.369 0.458 10 0 DCAELO C[C@H]1C[N@H+](Cc2cc(=O)n3[nH]ccc3n2)C[C@H]1N1CCOCC1 ZINC000371923133 396480413 /nfs/dbraw/zinc/48/04/13/396480413.db2.gz CGVJJUDUZYUURO-GXTWGEPZSA-N 1 2 317.393 0.175 10 0 DCAELO C[C@H]1C[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)C[C@H]1N1CCOCC1 ZINC000371923133 396480414 /nfs/dbraw/zinc/48/04/14/396480414.db2.gz CGVJJUDUZYUURO-GXTWGEPZSA-N 1 2 317.393 0.175 10 0 DCAELO C[C@H]1CCCN(C(=O)C(=O)N2CC[NH2+][C@H](c3cccnc3)C2)C1 ZINC000374362914 396658064 /nfs/dbraw/zinc/65/80/64/396658064.db2.gz GZNBSBYFBQVPNP-ZFWWWQNUSA-N 1 2 316.405 0.813 10 0 DCAELO COC(=O)[C@H](CC(C)C)[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000586762484 396663735 /nfs/dbraw/zinc/66/37/35/396663735.db2.gz ZUOSCVSLZKVWOD-RYUDHWBXSA-N 1 2 306.428 0.588 10 0 DCAELO COC(=O)[C@H](CC(C)C)[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000586762484 396663737 /nfs/dbraw/zinc/66/37/37/396663737.db2.gz ZUOSCVSLZKVWOD-RYUDHWBXSA-N 1 2 306.428 0.588 10 0 DCAELO C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000375109619 396711716 /nfs/dbraw/zinc/71/17/16/396711716.db2.gz FNWWBNKDQMABCF-XHDPSFHLSA-N 1 2 313.398 0.491 10 0 DCAELO C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000375109619 396711718 /nfs/dbraw/zinc/71/17/18/396711718.db2.gz FNWWBNKDQMABCF-XHDPSFHLSA-N 1 2 313.398 0.491 10 0 DCAELO Cc1nnc([C@@H]2CCCCN2C[C@@H](O)C[NH+]2CCOCC2)[nH]1 ZINC000328636531 396829279 /nfs/dbraw/zinc/82/92/79/396829279.db2.gz CLWJPDYOMJERCT-KBPBESRZSA-N 1 2 309.414 0.333 10 0 DCAELO C[N@H+](C[C@@H]1C[C@H](F)CN1Cc1cncnc1)[C@H]1CCOC1=O ZINC000328656937 396831468 /nfs/dbraw/zinc/83/14/68/396831468.db2.gz ZVGIOFBHHQWLDF-IHRRRGAJSA-N 1 2 308.357 0.636 10 0 DCAELO C[N@@H+](C[C@@H]1C[C@H](F)CN1Cc1cncnc1)[C@H]1CCOC1=O ZINC000328656937 396831470 /nfs/dbraw/zinc/83/14/70/396831470.db2.gz ZVGIOFBHHQWLDF-IHRRRGAJSA-N 1 2 308.357 0.636 10 0 DCAELO O=C(NCc1nnnn1CC1CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000564659574 396854204 /nfs/dbraw/zinc/85/42/04/396854204.db2.gz YQXCGSXSEUXZLQ-NSHDSACASA-N 1 2 301.354 0.158 10 0 DCAELO CC(C)(CNC(=O)N1CC[C@@H](CC(N)=O)C1)[NH+]1CCOCC1 ZINC000376817192 396983594 /nfs/dbraw/zinc/98/35/94/396983594.db2.gz AGJBRRXENKHMEG-LBPRGKRZSA-N 1 2 312.414 0.004 10 0 DCAELO C[C@@H](O)C(=O)N1CCN(c2[nH+]c3cccc(F)c3n2C)CC1 ZINC000407953392 397334737 /nfs/dbraw/zinc/33/47/37/397334737.db2.gz BDHQQIIYMXZNSG-SNVBAGLBSA-N 1 2 306.341 0.742 10 0 DCAELO CNC(=O)[C@H]1CCC[N@@H+]1[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000408449799 397357532 /nfs/dbraw/zinc/35/75/32/397357532.db2.gz DRLMVUOBTJJHOT-ZJUUUORDSA-N 1 2 307.316 0.750 10 0 DCAELO CNC(=O)[C@H]1CCC[N@H+]1[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000408449799 397357538 /nfs/dbraw/zinc/35/75/38/397357538.db2.gz DRLMVUOBTJJHOT-ZJUUUORDSA-N 1 2 307.316 0.750 10 0 DCAELO CC1(C)C[N@H+](Cc2cc(=O)n3[nH]ccc3n2)C[C@]2(CCOC2)O1 ZINC000366589444 397382884 /nfs/dbraw/zinc/38/28/84/397382884.db2.gz KPMBMKRLYOAMJJ-INIZCTEOSA-N 1 2 318.377 0.793 10 0 DCAELO CC1(C)C[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)C[C@]2(CCOC2)O1 ZINC000366589444 397382889 /nfs/dbraw/zinc/38/28/89/397382889.db2.gz KPMBMKRLYOAMJJ-INIZCTEOSA-N 1 2 318.377 0.793 10 0 DCAELO O=C([C@@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCn2c[nH+]cc2C1 ZINC000365806955 397320330 /nfs/dbraw/zinc/32/03/30/397320330.db2.gz UZHUFXXGTRYFOP-SNVBAGLBSA-N 1 2 300.322 0.002 10 0 DCAELO COC(=O)c1csc(C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)c1 ZINC000602471601 397413078 /nfs/dbraw/zinc/41/30/78/397413078.db2.gz FFIDLZHBCBKOHY-SNVBAGLBSA-N 1 2 318.420 0.658 10 0 DCAELO COC(=O)c1csc(C[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)c1 ZINC000602471601 397413083 /nfs/dbraw/zinc/41/30/83/397413083.db2.gz FFIDLZHBCBKOHY-SNVBAGLBSA-N 1 2 318.420 0.658 10 0 DCAELO Cc1nnc(CN2CC[NH+](CCOCC(F)(F)F)CC2)[nH]1 ZINC000605422637 397664586 /nfs/dbraw/zinc/66/45/86/397664586.db2.gz NEAQVLRFBPRUEP-UHFFFAOYSA-N 1 2 307.320 0.810 10 0 DCAELO C[C@@H](CNC(=O)c1ccc2[nH]c(=O)[nH]c2c1)[NH+]1CCOCC1 ZINC000046268288 158001484 /nfs/dbraw/zinc/00/14/84/158001484.db2.gz JSUMPAAFAKAGGB-JTQLQIEISA-N 1 2 304.350 0.307 10 0 DCAELO O=C(C[N@@H+]1CCc2sccc2C1)NCCNC(=O)C1CC1 ZINC000058782718 158026369 /nfs/dbraw/zinc/02/63/69/158026369.db2.gz YQPJBPBHEJIYOH-UHFFFAOYSA-N 1 2 307.419 0.749 10 0 DCAELO O=C(C[N@H+]1CCc2sccc2C1)NCCNC(=O)C1CC1 ZINC000058782718 158026372 /nfs/dbraw/zinc/02/63/72/158026372.db2.gz YQPJBPBHEJIYOH-UHFFFAOYSA-N 1 2 307.419 0.749 10 0 DCAELO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+]2CCNC(=O)CC2)c1 ZINC000065955270 158034877 /nfs/dbraw/zinc/03/48/77/158034877.db2.gz NOYYIDFWZKQJDK-NSHDSACASA-N 1 2 318.377 0.794 10 0 DCAELO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+]2CCNC(=O)CC2)c1 ZINC000065955270 158034880 /nfs/dbraw/zinc/03/48/80/158034880.db2.gz NOYYIDFWZKQJDK-NSHDSACASA-N 1 2 318.377 0.794 10 0 DCAELO C[C@@H](CNC(=O)[C@@H]1Cc2cc(F)ccc2O1)[NH+]1CCOCC1 ZINC000076957848 158066643 /nfs/dbraw/zinc/06/66/43/158066643.db2.gz FTBHDDFFHGBNPZ-NHYWBVRUSA-N 1 2 308.353 0.966 10 0 DCAELO O=C(NCCn1ccnc1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000080575222 158081184 /nfs/dbraw/zinc/08/11/84/158081184.db2.gz VFEAALAPBNRTNB-OAHLLOKOSA-N 1 2 321.425 0.779 10 0 DCAELO Cc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000083700431 158087422 /nfs/dbraw/zinc/08/74/22/158087422.db2.gz QVLZPOLZBDVAAX-WCQYABFASA-N 1 2 322.413 0.441 10 0 DCAELO COc1ccccc1/C=C/C[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000091866457 158111031 /nfs/dbraw/zinc/11/10/31/158111031.db2.gz OFFVLIJTUZKNPL-YVZNUBBCSA-N 1 2 315.373 0.351 10 0 DCAELO COc1ccccc1/C=C/C[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000091866457 158111034 /nfs/dbraw/zinc/11/10/34/158111034.db2.gz OFFVLIJTUZKNPL-YVZNUBBCSA-N 1 2 315.373 0.351 10 0 DCAELO NC(=O)N1CCC[C@H](C(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000101864366 158127447 /nfs/dbraw/zinc/12/74/47/158127447.db2.gz XUAQQBJOOOVGQH-LBPRGKRZSA-N 1 2 305.382 0.837 10 0 DCAELO Cc1ccn2ncc(C(=O)NC[C@@H]3C[N@@H+](C4CC4)CCO3)c2n1 ZINC000114856842 158157679 /nfs/dbraw/zinc/15/76/79/158157679.db2.gz DJLIDYWGODTVGV-CYBMUJFWSA-N 1 2 315.377 0.631 10 0 DCAELO Cc1ccn2ncc(C(=O)NC[C@@H]3C[N@H+](C4CC4)CCO3)c2n1 ZINC000114856842 158157680 /nfs/dbraw/zinc/15/76/80/158157680.db2.gz DJLIDYWGODTVGV-CYBMUJFWSA-N 1 2 315.377 0.631 10 0 DCAELO CC(C)(C)CCNC(=O)C[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000116889640 158166782 /nfs/dbraw/zinc/16/67/82/158166782.db2.gz FLKRTGVUPOPFQW-LLVKDONJSA-N 1 2 305.444 0.162 10 0 DCAELO CC(C)(C)CCNC(=O)C[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000116889640 158166785 /nfs/dbraw/zinc/16/67/85/158166785.db2.gz FLKRTGVUPOPFQW-LLVKDONJSA-N 1 2 305.444 0.162 10 0 DCAELO CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116891549 158169118 /nfs/dbraw/zinc/16/91/18/158169118.db2.gz MGLXXLFFISMYOK-TUAOUCFPSA-N 1 2 305.444 0.303 10 0 DCAELO CCC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116891549 158169121 /nfs/dbraw/zinc/16/91/21/158169121.db2.gz MGLXXLFFISMYOK-TUAOUCFPSA-N 1 2 305.444 0.303 10 0 DCAELO CC[C@H]1CN(C(=O)CCCS(C)(=O)=O)CC[N@@H+]1CCOC ZINC000117300051 158171705 /nfs/dbraw/zinc/17/17/05/158171705.db2.gz OSCKNQDQJFNMRP-ZDUSSCGKSA-N 1 2 320.455 0.380 10 0 DCAELO CC[C@H]1CN(C(=O)CCCS(C)(=O)=O)CC[N@H+]1CCOC ZINC000117300051 158171708 /nfs/dbraw/zinc/17/17/08/158171708.db2.gz OSCKNQDQJFNMRP-ZDUSSCGKSA-N 1 2 320.455 0.380 10 0 DCAELO C[C@H](CNC(=O)CNC(=O)c1ccsc1)[NH+]1CCN(C)CC1 ZINC000125360131 158254509 /nfs/dbraw/zinc/25/45/09/158254509.db2.gz ZNXSXARZXDOFIG-GFCCVEGCSA-N 1 2 324.450 0.230 10 0 DCAELO C[C@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CCS1(=O)=O ZINC000127247478 158271181 /nfs/dbraw/zinc/27/11/81/158271181.db2.gz ZAWFCCQGGVZOHV-WCQYABFASA-N 1 2 300.424 0.506 10 0 DCAELO CN1C(=O)C[C@@H]([N@@H+]2CCCN(C(=O)c3ccsc3)CC2)C1=O ZINC000128797470 158283367 /nfs/dbraw/zinc/28/33/67/158283367.db2.gz XMCUWTWQIJZHGZ-GFCCVEGCSA-N 1 2 321.402 0.653 10 0 DCAELO CN1C(=O)C[C@@H]([N@H+]2CCCN(C(=O)c3ccsc3)CC2)C1=O ZINC000128797470 158283370 /nfs/dbraw/zinc/28/33/70/158283370.db2.gz XMCUWTWQIJZHGZ-GFCCVEGCSA-N 1 2 321.402 0.653 10 0 DCAELO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000132526864 158312031 /nfs/dbraw/zinc/31/20/31/158312031.db2.gz HZNNKDCMZXWQMK-SECBINFHSA-N 1 2 302.421 0.976 10 0 DCAELO C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000132526864 158312033 /nfs/dbraw/zinc/31/20/33/158312033.db2.gz HZNNKDCMZXWQMK-SECBINFHSA-N 1 2 302.421 0.976 10 0 DCAELO COc1cc(F)c(C(=O)N2CC[NH+](CCO)CC2)cc1OC ZINC000162655667 158360836 /nfs/dbraw/zinc/36/08/36/158360836.db2.gz NKFUWKKNMQJSEE-UHFFFAOYSA-N 1 2 312.341 0.593 10 0 DCAELO COC(C)(C)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000171597133 158384721 /nfs/dbraw/zinc/38/47/21/158384721.db2.gz MNHOIZHNALVCLM-CQSZACIVSA-N 1 2 302.440 0.736 10 0 DCAELO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccc2nccn2c1 ZINC000172249866 158391757 /nfs/dbraw/zinc/39/17/57/158391757.db2.gz UFZCXYXVLBUPET-AWEZNQCLSA-N 1 2 300.362 0.927 10 0 DCAELO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1ccc2nccn2c1 ZINC000172249866 158391758 /nfs/dbraw/zinc/39/17/58/158391758.db2.gz UFZCXYXVLBUPET-AWEZNQCLSA-N 1 2 300.362 0.927 10 0 DCAELO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)[C@@H]1Cc2ccccc2O1 ZINC000172354109 158394238 /nfs/dbraw/zinc/39/42/38/158394238.db2.gz OHRKPPYYSWTHMD-ZBFHGGJFSA-N 1 2 302.374 0.970 10 0 DCAELO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)[C@@H]1Cc2ccccc2O1 ZINC000172354109 158394240 /nfs/dbraw/zinc/39/42/40/158394240.db2.gz OHRKPPYYSWTHMD-ZBFHGGJFSA-N 1 2 302.374 0.970 10 0 DCAELO C[C@H](NC(=O)c1ccco1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172745161 158398398 /nfs/dbraw/zinc/39/83/98/158398398.db2.gz VEELEMSSTDUKOH-QWHCGFSZSA-N 1 2 321.377 0.331 10 0 DCAELO O=C1[C@@H]([N@@H+]2CC[C@@](O)(C(F)(F)F)C2)CCN1C1CCOCC1 ZINC000328678218 159020681 /nfs/dbraw/zinc/02/06/81/159020681.db2.gz SRDHGIDENMIUNP-AAEUAGOBSA-N 1 2 322.327 0.765 10 0 DCAELO O=C1[C@@H]([N@H+]2CC[C@@](O)(C(F)(F)F)C2)CCN1C1CCOCC1 ZINC000328678218 159020683 /nfs/dbraw/zinc/02/06/83/159020683.db2.gz SRDHGIDENMIUNP-AAEUAGOBSA-N 1 2 322.327 0.765 10 0 DCAELO O=C(C[C@@H]1NC(=O)NC1=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000328735714 159025703 /nfs/dbraw/zinc/02/57/03/159025703.db2.gz ZEVTUSWWOVKQNW-NWDGAFQWSA-N 1 2 320.324 0.941 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(S(=O)(=O)C[C@H]3CCCCO3)C[C@H]21 ZINC000328812872 159031837 /nfs/dbraw/zinc/03/18/37/159031837.db2.gz BOGZCUGRARYSBR-MGPQQGTHSA-N 1 2 318.439 0.290 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(S(=O)(=O)C[C@H]3CCCCO3)C[C@H]21 ZINC000328812872 159031839 /nfs/dbraw/zinc/03/18/39/159031839.db2.gz BOGZCUGRARYSBR-MGPQQGTHSA-N 1 2 318.439 0.290 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)CCOC3CCOCC3)C[C@@H]21 ZINC000328858566 159034920 /nfs/dbraw/zinc/03/49/20/159034920.db2.gz DORYZHBAIGWORD-GJZGRUSLSA-N 1 2 312.410 0.504 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)CCOC3CCOCC3)C[C@@H]21 ZINC000328858566 159034921 /nfs/dbraw/zinc/03/49/21/159034921.db2.gz DORYZHBAIGWORD-GJZGRUSLSA-N 1 2 312.410 0.504 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3csc4cncn43)C[C@@H]21 ZINC000328884746 159037969 /nfs/dbraw/zinc/03/79/69/159037969.db2.gz OAQOJQMIJBGAAW-CMPLNLGQSA-N 1 2 306.391 0.941 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3csc4cncn43)C[C@@H]21 ZINC000328884746 159037971 /nfs/dbraw/zinc/03/79/71/159037971.db2.gz OAQOJQMIJBGAAW-CMPLNLGQSA-N 1 2 306.391 0.941 10 0 DCAELO Cc1cc(COCC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)on1 ZINC000328905461 159040251 /nfs/dbraw/zinc/04/02/51/159040251.db2.gz KAKPRLBUXJZLAT-KGLIPLIRSA-N 1 2 309.366 0.431 10 0 DCAELO Cc1cc(COCC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)on1 ZINC000328905461 159040252 /nfs/dbraw/zinc/04/02/52/159040252.db2.gz KAKPRLBUXJZLAT-KGLIPLIRSA-N 1 2 309.366 0.431 10 0 DCAELO CCC(=O)N1CSC[C@H]1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000328927416 159043044 /nfs/dbraw/zinc/04/30/44/159043044.db2.gz XCJQPHXRWJBQKL-LBPRGKRZSA-N 1 2 315.439 0.089 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnn4ncccc34)C[C@H]21 ZINC000329205898 159073184 /nfs/dbraw/zinc/07/31/84/159073184.db2.gz XGCIALWGHIECSY-KGLIPLIRSA-N 1 2 301.350 0.274 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)c3cnn4ncccc34)C[C@H]21 ZINC000329205898 159073186 /nfs/dbraw/zinc/07/31/86/159073186.db2.gz XGCIALWGHIECSY-KGLIPLIRSA-N 1 2 301.350 0.274 10 0 DCAELO O=C(N1CCC[C@@](F)(CO)C1)C1([NH+]2CCOCC2)CCC1 ZINC000329238604 159075941 /nfs/dbraw/zinc/07/59/41/159075941.db2.gz PUGBMVRUSYFKNP-AWEZNQCLSA-N 1 2 300.374 0.564 10 0 DCAELO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C[C@H]1CCS(=O)(=O)C1 ZINC000329659518 159110174 /nfs/dbraw/zinc/11/01/74/159110174.db2.gz OCHBWIMLLMEKLW-MCIONIFRSA-N 1 2 314.451 0.896 10 0 DCAELO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C[C@H]1CCS(=O)(=O)C1 ZINC000329659518 159110176 /nfs/dbraw/zinc/11/01/76/159110176.db2.gz OCHBWIMLLMEKLW-MCIONIFRSA-N 1 2 314.451 0.896 10 0 DCAELO C[C@@H]1CCCCN1S(=O)(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000329725125 159114809 /nfs/dbraw/zinc/11/48/09/159114809.db2.gz DKEKTLRUCYPOPM-OCCSQVGLSA-N 1 2 317.455 0.558 10 0 DCAELO C[C@@H]1CCCCN1S(=O)(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000329725125 159114811 /nfs/dbraw/zinc/11/48/11/159114811.db2.gz DKEKTLRUCYPOPM-OCCSQVGLSA-N 1 2 317.455 0.558 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(S(=O)(=O)NC3CCCC3)C[C@@H]21 ZINC000329821264 159121594 /nfs/dbraw/zinc/12/15/94/159121594.db2.gz HCLNKQVIPJNCJH-STQMWFEESA-N 1 2 303.428 0.168 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(S(=O)(=O)NC3CCCC3)C[C@@H]21 ZINC000329821264 159121597 /nfs/dbraw/zinc/12/15/97/159121597.db2.gz HCLNKQVIPJNCJH-STQMWFEESA-N 1 2 303.428 0.168 10 0 DCAELO CCn1cnc(S(=O)(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000329988691 159133897 /nfs/dbraw/zinc/13/38/97/159133897.db2.gz HLDCCELFHKQULF-GFCCVEGCSA-N 1 2 314.411 0.045 10 0 DCAELO CCn1cnc(S(=O)(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000329988691 159133898 /nfs/dbraw/zinc/13/38/98/159133898.db2.gz HLDCCELFHKQULF-GFCCVEGCSA-N 1 2 314.411 0.045 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(NC(N)=O)cc3)C[C@@H]21 ZINC000408023612 160014579 /nfs/dbraw/zinc/01/45/79/160014579.db2.gz SZSNWPIBNXMIPW-UONOGXRCSA-N 1 2 318.377 0.722 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(NC(N)=O)cc3)C[C@@H]21 ZINC000408023612 160014581 /nfs/dbraw/zinc/01/45/81/160014581.db2.gz SZSNWPIBNXMIPW-UONOGXRCSA-N 1 2 318.377 0.722 10 0 DCAELO C[C@H]1CN(C(=O)c2cnc(N(C)C)cn2)C[C@@H]1[NH+]1CCOCC1 ZINC000408080585 160031425 /nfs/dbraw/zinc/03/14/25/160031425.db2.gz NXHMUUBPFVHLCF-JSGCOSHPSA-N 1 2 319.409 0.335 10 0 DCAELO CCC(=O)N[C@@H]1CCC[N@H+](CC(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000408152275 160049027 /nfs/dbraw/zinc/04/90/27/160049027.db2.gz YOTUHKJXDWIWRW-HZSPNIEDSA-N 1 2 311.426 0.613 10 0 DCAELO CCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000408152275 160049028 /nfs/dbraw/zinc/04/90/28/160049028.db2.gz YOTUHKJXDWIWRW-HZSPNIEDSA-N 1 2 311.426 0.613 10 0 DCAELO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)[C@H]1CNC(=O)C1)C2 ZINC000408156700 160049363 /nfs/dbraw/zinc/04/93/63/160049363.db2.gz AYTKVVWYRBSQOG-MNOVXSKESA-N 1 2 304.394 0.748 10 0 DCAELO O=C(N[C@@H]1CCc2n[nH]cc2C1)C1([NH+]2CCOCC2)CCC1 ZINC000408176360 160053318 /nfs/dbraw/zinc/05/33/18/160053318.db2.gz DYNUFALLPUHCAK-CYBMUJFWSA-N 1 2 304.394 0.638 10 0 DCAELO C[C@@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1n1cc[nH+]c1 ZINC000408184355 160055368 /nfs/dbraw/zinc/05/53/68/160055368.db2.gz BFOFVJKQGADOFE-VXGBXAGGSA-N 1 2 314.411 0.184 10 0 DCAELO NS(=O)(=O)[C@@H]1CCC[N@H+](CC(=O)NC2CCCCC2)C1 ZINC000408200113 160058650 /nfs/dbraw/zinc/05/86/50/160058650.db2.gz ZQUVGNJWONDUHG-GFCCVEGCSA-N 1 2 303.428 0.188 10 0 DCAELO NS(=O)(=O)[C@@H]1CCC[N@@H+](CC(=O)NC2CCCCC2)C1 ZINC000408200113 160058652 /nfs/dbraw/zinc/05/86/52/160058652.db2.gz ZQUVGNJWONDUHG-GFCCVEGCSA-N 1 2 303.428 0.188 10 0 DCAELO Cc1cc(C)n([C@H](C)C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)n1 ZINC000408232855 160065655 /nfs/dbraw/zinc/06/56/55/160065655.db2.gz WPZGZUVTHMICNM-CABCVRRESA-N 1 2 306.410 0.994 10 0 DCAELO CC[C@@H]1OCCC[C@H]1C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000408273457 160073236 /nfs/dbraw/zinc/07/32/36/160073236.db2.gz CZFQUEPPWVCZHP-OLZOCXBDSA-N 1 2 311.426 0.600 10 0 DCAELO C[C@H]1OCC[C@@H]1NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000134485491 287016364 /nfs/dbraw/zinc/01/63/64/287016364.db2.gz WLAOGRCNFMFDCD-KGLIPLIRSA-N 1 2 324.425 0.113 10 0 DCAELO Cc1nc(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)c(=O)[nH]c1C ZINC000152778245 287044057 /nfs/dbraw/zinc/04/40/57/287044057.db2.gz LLBRPGCIZIRJDF-NEPJUHHUSA-N 1 2 308.382 0.226 10 0 DCAELO C[C@H]1C[N@H+](C[C@@H](O)COC(C)(C)C)CCN1S(C)(=O)=O ZINC000245624961 287071630 /nfs/dbraw/zinc/07/16/30/287071630.db2.gz QRJMHDCVGPRCSV-NWDGAFQWSA-N 1 2 308.444 0.128 10 0 DCAELO C[C@H]1C[N@@H+](C[C@@H](O)COC(C)(C)C)CCN1S(C)(=O)=O ZINC000245624961 287071634 /nfs/dbraw/zinc/07/16/34/287071634.db2.gz QRJMHDCVGPRCSV-NWDGAFQWSA-N 1 2 308.444 0.128 10 0 DCAELO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)N2CCC[C@@H](C)C2)CC1 ZINC000246082522 287076310 /nfs/dbraw/zinc/07/63/10/287076310.db2.gz HGJBEKOVRKNFAW-KGLIPLIRSA-N 1 2 319.471 0.352 10 0 DCAELO NC(=O)[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000247094211 287090982 /nfs/dbraw/zinc/09/09/82/287090982.db2.gz UKNBQKPYQYIUQI-ZJUUUORDSA-N 1 2 307.316 0.737 10 0 DCAELO NC(=O)[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000247094211 287090984 /nfs/dbraw/zinc/09/09/84/287090984.db2.gz UKNBQKPYQYIUQI-ZJUUUORDSA-N 1 2 307.316 0.737 10 0 DCAELO C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247255242 287092428 /nfs/dbraw/zinc/09/24/28/287092428.db2.gz YBLHDJAZGAAMFX-QWHCGFSZSA-N 1 2 317.455 0.257 10 0 DCAELO C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247255242 287092429 /nfs/dbraw/zinc/09/24/29/287092429.db2.gz YBLHDJAZGAAMFX-QWHCGFSZSA-N 1 2 317.455 0.257 10 0 DCAELO COCCCCS(=O)(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000248653831 287099029 /nfs/dbraw/zinc/09/90/29/287099029.db2.gz CFMIANCCADUNKN-OLZOCXBDSA-N 1 2 308.444 0.130 10 0 DCAELO COCCCCS(=O)(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000248653831 287099030 /nfs/dbraw/zinc/09/90/30/287099030.db2.gz CFMIANCCADUNKN-OLZOCXBDSA-N 1 2 308.444 0.130 10 0 DCAELO Cc1cc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)c(C)o1 ZINC000249116733 287106780 /nfs/dbraw/zinc/10/67/80/287106780.db2.gz BIUJRZCUFHYJKV-QWRGUYRKSA-N 1 2 316.423 0.972 10 0 DCAELO Cc1cc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)c(C)o1 ZINC000249116733 287106783 /nfs/dbraw/zinc/10/67/83/287106783.db2.gz BIUJRZCUFHYJKV-QWRGUYRKSA-N 1 2 316.423 0.972 10 0 DCAELO COc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C)C[C@@H]2C(N)=O)cc1 ZINC000249581928 287115152 /nfs/dbraw/zinc/11/51/52/287115152.db2.gz RKPLOIQOCUIXDW-IUODEOHRSA-N 1 2 319.405 0.897 10 0 DCAELO COc1ccc(CNC(=O)C[N@H+]2CC[C@@H](C)C[C@@H]2C(N)=O)cc1 ZINC000249581928 287115155 /nfs/dbraw/zinc/11/51/55/287115155.db2.gz RKPLOIQOCUIXDW-IUODEOHRSA-N 1 2 319.405 0.897 10 0 DCAELO Cc1ccc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCOCC2)cc1 ZINC000047705688 415279709 /nfs/dbraw/zinc/27/97/09/415279709.db2.gz GPYJYMVSQKLSJZ-ZDUSSCGKSA-N 1 2 305.378 0.770 10 0 DCAELO NS(=O)(=O)c1cnc(NC[C@H]2C[N@@H+](C3CC3)CCO2)s1 ZINC000066745931 415364751 /nfs/dbraw/zinc/36/47/51/415364751.db2.gz JMECGFIDIIBZKO-VIFPVBQESA-N 1 2 318.424 0.066 10 0 DCAELO NS(=O)(=O)c1cnc(NC[C@H]2C[N@H+](C3CC3)CCO2)s1 ZINC000066745931 415364759 /nfs/dbraw/zinc/36/47/59/415364759.db2.gz JMECGFIDIIBZKO-VIFPVBQESA-N 1 2 318.424 0.066 10 0 DCAELO CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000081048124 415484019 /nfs/dbraw/zinc/48/40/19/415484019.db2.gz WYJCVPDYTGFVQO-GZMMTYOYSA-N 1 2 311.304 0.608 10 0 DCAELO CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000081048124 415484026 /nfs/dbraw/zinc/48/40/26/415484026.db2.gz WYJCVPDYTGFVQO-GZMMTYOYSA-N 1 2 311.304 0.608 10 0 DCAELO CCC(=O)N1CC[C@H](NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)C1 ZINC000332752834 415462348 /nfs/dbraw/zinc/46/23/48/415462348.db2.gz GQVHGSQAEKPOLL-BFHYXJOUSA-N 1 2 324.425 0.112 10 0 DCAELO CCC(=O)N1CC[C@H](NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)C1 ZINC000332752834 415462352 /nfs/dbraw/zinc/46/23/52/415462352.db2.gz GQVHGSQAEKPOLL-BFHYXJOUSA-N 1 2 324.425 0.112 10 0 DCAELO C[C@H]1NC(=O)CC[C@@H]1NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000333030348 415534741 /nfs/dbraw/zinc/53/47/41/415534741.db2.gz CBCMLOUNRCUGQH-PWSUYJOCSA-N 1 2 305.382 0.686 10 0 DCAELO CCCN1C[C@H](C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)CC1=O ZINC000333206718 415584028 /nfs/dbraw/zinc/58/40/28/415584028.db2.gz YZNNOLSAWANZMQ-RDBSUJKOSA-N 1 2 309.410 0.176 10 0 DCAELO CCCN1C[C@H](C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)CC1=O ZINC000333206718 415584031 /nfs/dbraw/zinc/58/40/31/415584031.db2.gz YZNNOLSAWANZMQ-RDBSUJKOSA-N 1 2 309.410 0.176 10 0 DCAELO C[C@@H](C[NH+]1CCOCC1)N(C)S(=O)(=O)[C@@H]1CCO[C@H](C)C1 ZINC000333443869 415652288 /nfs/dbraw/zinc/65/22/88/415652288.db2.gz QEQHBJCPTRJNJS-BFHYXJOUSA-N 1 2 320.455 0.536 10 0 DCAELO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000107324031 415663714 /nfs/dbraw/zinc/66/37/14/415663714.db2.gz KHFAOWDOEKFGSU-NSHDSACASA-N 1 2 316.361 0.374 10 0 DCAELO C[C@H]1C[C@@H](NC(=O)N[C@H]2COC[C@H]2n2ccnn2)c2[nH+]ccn21 ZINC000333620808 415697018 /nfs/dbraw/zinc/69/70/18/415697018.db2.gz UEMDAQOKOFOIBP-WHOHXGKFSA-N 1 2 317.353 0.420 10 0 DCAELO Cc1cnn(CCNC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c1 ZINC000118072531 415733470 /nfs/dbraw/zinc/73/34/70/415733470.db2.gz ADJGKRHGWFYNCP-ZIAGYGMSSA-N 1 2 309.414 0.600 10 0 DCAELO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1n[nH]c2c1CCCC2 ZINC000127464851 415886928 /nfs/dbraw/zinc/88/69/28/415886928.db2.gz CRXBJDQUNYDNNT-GFCCVEGCSA-N 1 2 304.394 0.882 10 0 DCAELO CCCc1ncc(C(=O)NC[C@H](O)C[NH+]2CCOCC2)s1 ZINC000128166079 415895921 /nfs/dbraw/zinc/89/59/21/415895921.db2.gz LBRYUEIVUPTASA-NSHDSACASA-N 1 2 313.423 0.519 10 0 DCAELO C[C@@H](NC(=O)C[NH+]1CCN(c2ccccn2)CC1)[C@H]1CCCO1 ZINC000155031563 415992350 /nfs/dbraw/zinc/99/23/50/415992350.db2.gz LYLXOQMUEWNYHP-HUUCEWRRSA-N 1 2 318.421 0.887 10 0 DCAELO Cc1nnc([C@H]2C[N@H+](Cc3ccc(C(N)=O)cc3)CCO2)[nH]1 ZINC000173681403 416063552 /nfs/dbraw/zinc/06/35/52/416063552.db2.gz LQZBQYYIAIXEGM-CYBMUJFWSA-N 1 2 301.350 0.786 10 0 DCAELO Cc1nnc([C@H]2C[N@@H+](Cc3ccc(C(N)=O)cc3)CCO2)[nH]1 ZINC000173681403 416063554 /nfs/dbraw/zinc/06/35/54/416063554.db2.gz LQZBQYYIAIXEGM-CYBMUJFWSA-N 1 2 301.350 0.786 10 0 DCAELO O=C(NCCCn1cc[nH+]c1)N1CC[C@H](N2CCOCC2)C1 ZINC000173780456 416066487 /nfs/dbraw/zinc/06/64/87/416066487.db2.gz VUEZCRLSMNFHQM-AWEZNQCLSA-N 1 2 307.398 0.389 10 0 DCAELO C[C@@H](O)CC(C)(C)CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173913001 416068641 /nfs/dbraw/zinc/06/86/41/416068641.db2.gz XDLVGLOORGXBPN-ZIAGYGMSSA-N 1 2 313.442 0.900 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC(c3ccccc3)=NO2)C1 ZINC000170683886 416029106 /nfs/dbraw/zinc/02/91/06/416029106.db2.gz JCIBXIHZKIXNHI-ZFWWWQNUSA-N 1 2 303.362 0.626 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC(c3ccccc3)=NO2)C1 ZINC000170683886 416029109 /nfs/dbraw/zinc/02/91/09/416029109.db2.gz JCIBXIHZKIXNHI-ZFWWWQNUSA-N 1 2 303.362 0.626 10 0 DCAELO C[C@@H]([NH2+]Cc1nc(N)nc(N)n1)c1ccc2c(c1)OCCO2 ZINC000170738896 416030417 /nfs/dbraw/zinc/03/04/17/416030417.db2.gz GWXIYPWTCBOGIK-MRVPVSSYSA-N 1 2 302.338 0.658 10 0 DCAELO C[C@H](CNC(=O)NCCc1ccccc1O)[NH+]1CCOCC1 ZINC000170804593 416032831 /nfs/dbraw/zinc/03/28/31/416032831.db2.gz PKJVCJMVGCWALU-CYBMUJFWSA-N 1 2 307.394 0.955 10 0 DCAELO Cc1cc(C)n(-c2cncc(NC[C@H]3C[NH+]4CCN3CC4)n2)n1 ZINC000301782178 416092022 /nfs/dbraw/zinc/09/20/22/416092022.db2.gz NZDBKZLUWKNVDF-AWEZNQCLSA-N 1 2 313.409 0.691 10 0 DCAELO Cc1cc(C)n(-c2cncc(NC[C@H]3CN4CC[NH+]3CC4)n2)n1 ZINC000301782178 416092025 /nfs/dbraw/zinc/09/20/25/416092025.db2.gz NZDBKZLUWKNVDF-AWEZNQCLSA-N 1 2 313.409 0.691 10 0 DCAELO COC(=O)Cn1ncc2c1nc[nH+]c2N1CCC[C@H]([C@H](C)O)C1 ZINC000301798081 416092587 /nfs/dbraw/zinc/09/25/87/416092587.db2.gz VBLUDTPJCBLMLY-QWRGUYRKSA-N 1 2 319.365 0.597 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnn4c3CCCC4)C[C@H]21 ZINC000328871519 416136247 /nfs/dbraw/zinc/13/62/47/416136247.db2.gz DNIJWVXNQPPSNB-HUUCEWRRSA-N 1 2 304.394 0.765 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnn4c3CCCC4)C[C@H]21 ZINC000328871519 416136250 /nfs/dbraw/zinc/13/62/50/416136250.db2.gz DNIJWVXNQPPSNB-HUUCEWRRSA-N 1 2 304.394 0.765 10 0 DCAELO Cn1nccc1CNC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000174580795 416081392 /nfs/dbraw/zinc/08/13/92/416081392.db2.gz COAVOMVSFIRKKH-UHFFFAOYSA-N 1 2 314.393 0.254 10 0 DCAELO Cc1cc(C[C@H](C)NC(=O)C(=O)NCCn2cc[nH+]c2C)n[nH]1 ZINC000357985220 416166654 /nfs/dbraw/zinc/16/66/54/416166654.db2.gz WWCCTAAFJWZVOA-JTQLQIEISA-N 1 2 318.381 0.087 10 0 DCAELO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1S(=O)(=O)C[C@@H]1CCOC1 ZINC000329432678 416170377 /nfs/dbraw/zinc/17/03/77/416170377.db2.gz KYOXZCRNBBEYBA-MGPQQGTHSA-N 1 2 318.439 0.148 10 0 DCAELO COCCS(=O)(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000180929110 416202991 /nfs/dbraw/zinc/20/29/91/416202991.db2.gz NDYSRZDXBRVFEJ-CQSZACIVSA-N 1 2 319.471 0.065 10 0 DCAELO Cn1cc([C@H]2C[NH2+]CCN2C(=O)c2ccc3[nH]nnc3c2)cn1 ZINC000181442258 416208663 /nfs/dbraw/zinc/20/86/63/416208663.db2.gz LOHRCUKVEPHEOI-CQSZACIVSA-N 1 2 311.349 0.478 10 0 DCAELO CCOC(=O)[C@@H](CC(C)C)[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000182178487 416216240 /nfs/dbraw/zinc/21/62/40/416216240.db2.gz VLLWAAJVPDISSX-NWDGAFQWSA-N 1 2 306.428 0.588 10 0 DCAELO CCOC(=O)[C@@H](CC(C)C)[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000182178487 416216243 /nfs/dbraw/zinc/21/62/43/416216243.db2.gz VLLWAAJVPDISSX-NWDGAFQWSA-N 1 2 306.428 0.588 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)c2cnn(CCC(F)(F)F)c2)C1 ZINC000182377363 416221962 /nfs/dbraw/zinc/22/19/62/416221962.db2.gz FVKFUFBWJBBFIU-LLVKDONJSA-N 1 2 320.315 0.896 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)c2cnn(CCC(F)(F)F)c2)C1 ZINC000182377363 416221967 /nfs/dbraw/zinc/22/19/67/416221967.db2.gz FVKFUFBWJBBFIU-LLVKDONJSA-N 1 2 320.315 0.896 10 0 DCAELO Cc1cc(C)cc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1 ZINC000190026770 416273172 /nfs/dbraw/zinc/27/31/72/416273172.db2.gz GILNYWXXENXEHM-AWEZNQCLSA-N 1 2 319.405 0.767 10 0 DCAELO Cc1cc(C)cc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1 ZINC000190026770 416273173 /nfs/dbraw/zinc/27/31/73/416273173.db2.gz GILNYWXXENXEHM-AWEZNQCLSA-N 1 2 319.405 0.767 10 0 DCAELO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2)CC[N@@H+]1CCO ZINC000190043403 416273646 /nfs/dbraw/zinc/27/36/46/416273646.db2.gz MHSMFHCFZNCDBA-LLVKDONJSA-N 1 2 309.341 0.289 10 0 DCAELO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2)CC[N@H+]1CCO ZINC000190043403 416273650 /nfs/dbraw/zinc/27/36/50/416273650.db2.gz MHSMFHCFZNCDBA-LLVKDONJSA-N 1 2 309.341 0.289 10 0 DCAELO Cc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1C ZINC000190049314 416274293 /nfs/dbraw/zinc/27/42/93/416274293.db2.gz SFTAUWRJAFPIJG-AWEZNQCLSA-N 1 2 319.405 0.767 10 0 DCAELO Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1C ZINC000190049314 416274298 /nfs/dbraw/zinc/27/42/98/416274298.db2.gz SFTAUWRJAFPIJG-AWEZNQCLSA-N 1 2 319.405 0.767 10 0 DCAELO COCC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(C)n2)C[C@H]1C ZINC000193277016 416314646 /nfs/dbraw/zinc/31/46/46/416314646.db2.gz KBRPVUZSDBJYRC-CYBMUJFWSA-N 1 2 320.393 0.508 10 0 DCAELO COCC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(C)n2)C[C@H]1C ZINC000193277016 416314649 /nfs/dbraw/zinc/31/46/49/416314649.db2.gz KBRPVUZSDBJYRC-CYBMUJFWSA-N 1 2 320.393 0.508 10 0 DCAELO O=C(Nc1ccc(NC(=O)[C@H]2COCC[NH2+]2)cc1)NC1CC1 ZINC000237923318 416329302 /nfs/dbraw/zinc/32/93/02/416329302.db2.gz URTVFFCZVOGKHK-CYBMUJFWSA-N 1 2 304.350 0.897 10 0 DCAELO CN(Cc1ccnn1C)c1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000359895006 416364616 /nfs/dbraw/zinc/36/46/16/416364616.db2.gz DOXGPGXSPZLXSJ-ZDUSSCGKSA-N 1 2 302.382 0.808 10 0 DCAELO CN(Cc1ccnn1C)c1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000359895006 416364619 /nfs/dbraw/zinc/36/46/19/416364619.db2.gz DOXGPGXSPZLXSJ-ZDUSSCGKSA-N 1 2 302.382 0.808 10 0 DCAELO Cn1ccc(CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000534287857 416497659 /nfs/dbraw/zinc/49/76/59/416497659.db2.gz JQVMSURRUSGFPM-ZDUSSCGKSA-N 1 2 300.366 0.893 10 0 DCAELO O=C(C[N@@H+]1CCN2CCOC[C@@H]2C1)NC(=O)Nc1ccccc1 ZINC000368816425 416694923 /nfs/dbraw/zinc/69/49/23/416694923.db2.gz KAZTXDJRADQGGC-AWEZNQCLSA-N 1 2 318.377 0.351 10 0 DCAELO O=C(C[N@H+]1CCN2CCOC[C@@H]2C1)NC(=O)Nc1ccccc1 ZINC000368816425 416694926 /nfs/dbraw/zinc/69/49/26/416694926.db2.gz KAZTXDJRADQGGC-AWEZNQCLSA-N 1 2 318.377 0.351 10 0 DCAELO CC(=O)N1CCN(C(=O)CCNc2nc(C)[nH+]cc2C)CC1 ZINC000517206563 416786743 /nfs/dbraw/zinc/78/67/43/416786743.db2.gz VVOWYHKPMKBAIS-UHFFFAOYSA-N 1 2 305.382 0.586 10 0 DCAELO CCOC(=O)c1ccccc1[C@H]1C[NH2+]CCN1S(N)(=O)=O ZINC000616640069 417086908 /nfs/dbraw/zinc/08/69/08/417086908.db2.gz VOMDTDGBQCRARB-GFCCVEGCSA-N 1 2 313.379 0.013 10 0 DCAELO O=S(=O)(c1ccccc1)N1CC[NH2+]C[C@H]1c1cncnc1 ZINC000616638969 417087922 /nfs/dbraw/zinc/08/79/22/417087922.db2.gz PFKHCOYWNWQRJG-AWEZNQCLSA-N 1 2 304.375 0.812 10 0 DCAELO CS(=O)(=O)CC1(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)CC1 ZINC000407947446 417127753 /nfs/dbraw/zinc/12/77/53/417127753.db2.gz DMNUKKGAERHMNB-JTQLQIEISA-N 1 2 301.330 0.810 10 0 DCAELO CS(=O)(=O)CC1(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)CC1 ZINC000407947446 417127759 /nfs/dbraw/zinc/12/77/59/417127759.db2.gz DMNUKKGAERHMNB-JTQLQIEISA-N 1 2 301.330 0.810 10 0 DCAELO CO[C@@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)C[C@H]1c1cn[nH]n1 ZINC000622168942 417412937 /nfs/dbraw/zinc/41/29/37/417412937.db2.gz VRTGHWUGLGJUOT-WCQYABFASA-N 1 2 312.333 0.707 10 0 DCAELO NC(=O)C[C@]1(O)CCC[N@H+](Cc2ncn(-c3ccccc3)n2)C1 ZINC000643806735 417380554 /nfs/dbraw/zinc/38/05/54/417380554.db2.gz IEBYPEYSECMSNS-MRXNPFEDSA-N 1 2 315.377 0.470 10 0 DCAELO NC(=O)C[C@]1(O)CCC[N@@H+](Cc2ncn(-c3ccccc3)n2)C1 ZINC000643806735 417380570 /nfs/dbraw/zinc/38/05/70/417380570.db2.gz IEBYPEYSECMSNS-MRXNPFEDSA-N 1 2 315.377 0.470 10 0 DCAELO C[C@H](CNC(=O)[C@H]1Cc2ccccc2C(=O)O1)[NH+]1CCOCC1 ZINC000046269127 261106460 /nfs/dbraw/zinc/10/64/60/261106460.db2.gz CSTKICWVFDMDGP-IUODEOHRSA-N 1 2 318.373 0.605 10 0 DCAELO C[C@@H]1C(=O)N(C)CCN1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000186187766 261121582 /nfs/dbraw/zinc/12/15/82/261121582.db2.gz NYZXGKBUVXNPFD-LLVKDONJSA-N 1 2 305.382 0.520 10 0 DCAELO CN(C)C(=O)CCCNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000193852463 261144256 /nfs/dbraw/zinc/14/42/56/261144256.db2.gz FKSRIUFJMSLHSU-UHFFFAOYSA-N 1 2 307.398 0.815 10 0 DCAELO COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CC[NH+](C(C)C)CC1 ZINC000234605926 261154407 /nfs/dbraw/zinc/15/44/07/261154407.db2.gz IIHFENALDYENLC-CHWSQXEVSA-N 1 2 318.439 0.684 10 0 DCAELO COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CC[NH+](C2CC2)CC1 ZINC000234563148 261154894 /nfs/dbraw/zinc/15/48/94/261154894.db2.gz RWINOWUCXIYQMB-OLZOCXBDSA-N 1 2 316.423 0.438 10 0 DCAELO CSC[C@@H](C)C(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000328654394 533686624 /nfs/dbraw/zinc/68/66/24/533686624.db2.gz XJMMWCHBODWMDB-GHMZBOCLSA-N 1 2 303.428 0.680 10 0 DCAELO CSC[C@@H](C)C(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000328654394 533686612 /nfs/dbraw/zinc/68/66/12/533686612.db2.gz XJMMWCHBODWMDB-GHMZBOCLSA-N 1 2 303.428 0.680 10 0 DCAELO Cc1ccc2[nH+]c(CNC(=O)N(C)Cc3nnnn3C)cn2c1 ZINC000360931118 271167599 /nfs/dbraw/zinc/16/75/99/271167599.db2.gz LVIPTXXLWGMQAH-UHFFFAOYSA-N 1 2 314.353 0.508 10 0 DCAELO CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1cc[nH+]cc1C ZINC000488579340 272046625 /nfs/dbraw/zinc/04/66/25/272046625.db2.gz IHOGYZKUDHHLGM-WDEREUQCSA-N 1 2 322.365 0.390 10 0 DCAELO COC(=O)C(C)(C)N1CCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000490824414 272081921 /nfs/dbraw/zinc/08/19/21/272081921.db2.gz MXKVICNYKRRVDN-UHFFFAOYSA-N 1 2 323.397 0.162 10 0 DCAELO CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000494714645 272228634 /nfs/dbraw/zinc/22/86/34/272228634.db2.gz XTEYYSLOFHUBGC-CVEARBPZSA-N 1 2 316.401 0.760 10 0 DCAELO CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000494714645 272228637 /nfs/dbraw/zinc/22/86/37/272228637.db2.gz XTEYYSLOFHUBGC-CVEARBPZSA-N 1 2 316.401 0.760 10 0 DCAELO COC[C@@](C)(O)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000531019863 287764759 /nfs/dbraw/zinc/76/47/59/287764759.db2.gz ASTOIJAIUPUYRL-MRXNPFEDSA-N 1 2 303.362 0.945 10 0 DCAELO CC(C)(CNC(=O)c1cccc2ncnn21)[NH+]1CCOCC1 ZINC000541545068 287921319 /nfs/dbraw/zinc/92/13/19/287921319.db2.gz IMNFWWXSKRWKMF-UHFFFAOYSA-N 1 2 303.366 0.570 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc4n(n3)CCCO4)C[C@H]21 ZINC000328871413 277128711 /nfs/dbraw/zinc/12/87/11/277128711.db2.gz IJGWUARMUKIVII-OLZOCXBDSA-N 1 2 306.366 0.211 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)c3cc4n(n3)CCCO4)C[C@H]21 ZINC000328871413 277128712 /nfs/dbraw/zinc/12/87/12/277128712.db2.gz IJGWUARMUKIVII-OLZOCXBDSA-N 1 2 306.366 0.211 10 0 DCAELO COc1ccc2nc(C[N@@H+]3CCN4CCOC[C@@H]4C3)[nH]c2n1 ZINC000546222424 288017561 /nfs/dbraw/zinc/01/75/61/288017561.db2.gz JBVPJPTYJSDJKW-NSHDSACASA-N 1 2 303.366 0.483 10 0 DCAELO COc1ccc2nc(C[N@H+]3CCN4CCOC[C@@H]4C3)[nH]c2n1 ZINC000546222424 288017563 /nfs/dbraw/zinc/01/75/63/288017563.db2.gz JBVPJPTYJSDJKW-NSHDSACASA-N 1 2 303.366 0.483 10 0 DCAELO CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000081067404 278365007 /nfs/dbraw/zinc/36/50/07/278365007.db2.gz RBWAPVSARJVMDD-LLVKDONJSA-N 1 2 311.304 0.610 10 0 DCAELO CC(C)(C)NC(=O)NC(=O)C[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000081067404 278365008 /nfs/dbraw/zinc/36/50/08/278365008.db2.gz RBWAPVSARJVMDD-LLVKDONJSA-N 1 2 311.304 0.610 10 0 DCAELO CCC(=O)N[C@H]1CCCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000547674984 288067376 /nfs/dbraw/zinc/06/73/76/288067376.db2.gz LYTGNPZMORDIKN-STQMWFEESA-N 1 2 319.409 0.898 10 0 DCAELO C[C@@H]1C[N@H+](CC(=O)N2CCC[C@@H]3CCCC[C@H]32)C[C@@H](C(N)=O)O1 ZINC000246283824 288138349 /nfs/dbraw/zinc/13/83/49/288138349.db2.gz BAJWUXBRWSAMCQ-BARDWOONSA-N 1 2 323.437 0.742 10 0 DCAELO C[C@@H]1C[N@@H+](CC(=O)N2CCC[C@@H]3CCCC[C@H]32)C[C@@H](C(N)=O)O1 ZINC000246283824 288138351 /nfs/dbraw/zinc/13/83/51/288138351.db2.gz BAJWUXBRWSAMCQ-BARDWOONSA-N 1 2 323.437 0.742 10 0 DCAELO CCN1CC(=O)N(C[C@]2([NH+]3CCOCC3)CCSC2)C1=O ZINC000554113955 288313638 /nfs/dbraw/zinc/31/36/38/288313638.db2.gz BNTDPUUSCQPVRY-CQSZACIVSA-N 1 2 313.423 0.478 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(S(=O)(=O)N3CCCCCC3)C[C@@H]21 ZINC000328841459 290087074 /nfs/dbraw/zinc/08/70/74/290087074.db2.gz PMFUTNIKJDYEDC-UONOGXRCSA-N 1 2 317.455 0.512 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(S(=O)(=O)N3CCCCCC3)C[C@@H]21 ZINC000328841459 290087077 /nfs/dbraw/zinc/08/70/77/290087077.db2.gz PMFUTNIKJDYEDC-UONOGXRCSA-N 1 2 317.455 0.512 10 0 DCAELO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)c2cncc(O)c2)C1 ZINC000275752629 290107836 /nfs/dbraw/zinc/10/78/36/290107836.db2.gz QXZHDQQKDUDXEJ-HNNXBMFYSA-N 1 2 305.378 0.970 10 0 DCAELO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)c2cncc(O)c2)C1 ZINC000275752629 290107840 /nfs/dbraw/zinc/10/78/40/290107840.db2.gz QXZHDQQKDUDXEJ-HNNXBMFYSA-N 1 2 305.378 0.970 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)C[C@H]1C ZINC000333191077 290115455 /nfs/dbraw/zinc/11/54/55/290115455.db2.gz SCSDCGRKQNAAIH-QKGCVVFFSA-N 1 2 316.467 0.892 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)C[C@H]1C ZINC000333191077 290115459 /nfs/dbraw/zinc/11/54/59/290115459.db2.gz SCSDCGRKQNAAIH-QKGCVVFFSA-N 1 2 316.467 0.892 10 0 DCAELO C[C@H]1CN(C(=O)c2cc(F)c(O)c(F)c2)CC[N@@H+]1CCO ZINC000187280977 300186532 /nfs/dbraw/zinc/18/65/32/300186532.db2.gz YDDKBAGKHWAWMP-VIFPVBQESA-N 1 2 300.305 0.809 10 0 DCAELO C[C@H]1CN(C(=O)c2cc(F)c(O)c(F)c2)CC[N@H+]1CCO ZINC000187280977 300186535 /nfs/dbraw/zinc/18/65/35/300186535.db2.gz YDDKBAGKHWAWMP-VIFPVBQESA-N 1 2 300.305 0.809 10 0 DCAELO Cc1cc(C)n(C[C@@H]2CN(CCC[NH+]3CCOCC3)CCO2)n1 ZINC000173696219 534115573 /nfs/dbraw/zinc/11/55/73/534115573.db2.gz PZOZNZQMSGEMLS-KRWDZBQOSA-N 1 2 322.453 0.923 10 0 DCAELO C=CC(=O)NCCC(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000161974446 518672228 /nfs/dbraw/zinc/67/22/28/518672228.db2.gz BCHPHWWHRJXGIQ-UHFFFAOYSA-N 1 2 322.434 0.788 10 0 DCAELO Cn1c(C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)nc2ccccc2c1=O ZINC000299743017 534685976 /nfs/dbraw/zinc/68/59/76/534685976.db2.gz LNWAUKDELCSVEE-TZMCWYRMSA-N 1 2 312.373 0.644 10 0 DCAELO Cn1c(C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)nc2ccccc2c1=O ZINC000299743017 534685980 /nfs/dbraw/zinc/68/59/80/534685980.db2.gz LNWAUKDELCSVEE-TZMCWYRMSA-N 1 2 312.373 0.644 10 0 DCAELO COCCCS(=O)(=O)N1CCN(c2cc(C)[nH+]cn2)CC1 ZINC000154880366 523428039 /nfs/dbraw/zinc/42/80/39/523428039.db2.gz CVGDSZFEFRIJDL-UHFFFAOYSA-N 1 2 314.411 0.273 10 0 DCAELO CCn1cc([C@H]2C[N@H+](CCN3C(=O)CCC3=O)CCO2)cn1 ZINC000190746200 523482995 /nfs/dbraw/zinc/48/29/95/523482995.db2.gz LKEQPPOCICGIAH-CYBMUJFWSA-N 1 2 306.366 0.425 10 0 DCAELO CCn1cc([C@H]2C[N@@H+](CCN3C(=O)CCC3=O)CCO2)cn1 ZINC000190746200 523483001 /nfs/dbraw/zinc/48/30/01/523483001.db2.gz LKEQPPOCICGIAH-CYBMUJFWSA-N 1 2 306.366 0.425 10 0 DCAELO Cc1ncc(CN2CC[NH+](CCCS(N)(=O)=O)CC2)s1 ZINC000171557005 534737474 /nfs/dbraw/zinc/73/74/74/534737474.db2.gz IPSHCJYWDDCFEJ-UHFFFAOYSA-N 1 2 318.468 0.248 10 0 DCAELO Cc1ncc(C[NH+]2CCN(CCCS(N)(=O)=O)CC2)s1 ZINC000171557005 534737475 /nfs/dbraw/zinc/73/74/75/534737475.db2.gz IPSHCJYWDDCFEJ-UHFFFAOYSA-N 1 2 318.468 0.248 10 0 DCAELO C[C@H]1CN(S(=O)(=O)N(C)CCCn2cc[nH+]c2)[C@@H](C)CO1 ZINC000246729983 524655589 /nfs/dbraw/zinc/65/55/89/524655589.db2.gz GDDXMXIRVOLPJB-STQMWFEESA-N 1 2 316.427 0.559 10 0 DCAELO Cc1cccc(OC[C@@H](O)C[NH+]2CC(NC(=O)C3CC3)C2)c1 ZINC000187979191 524755454 /nfs/dbraw/zinc/75/54/54/524755454.db2.gz UXYMVLGYGUAKPZ-HNNXBMFYSA-N 1 2 304.390 0.945 10 0 DCAELO COc1ccnc(N2CC[NH+](CCN3CCO[C@H](C)C3)CC2)n1 ZINC000191482186 524845035 /nfs/dbraw/zinc/84/50/35/524845035.db2.gz KNIVXVKNUNISLK-CQSZACIVSA-N 1 2 321.425 0.328 10 0 DCAELO C[C@H](C1CC1)n1nccc1NC(=O)C(=O)N1CC[NH+](C)CC1 ZINC000191982416 526209118 /nfs/dbraw/zinc/20/91/18/526209118.db2.gz HAMKDCYSHKUEGH-LLVKDONJSA-N 1 2 305.382 0.567 10 0 DCAELO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)CC2CCOCC2)CC1 ZINC000182405608 529229749 /nfs/dbraw/zinc/22/97/49/529229749.db2.gz SRMFEEPVZPDEQP-CQSZACIVSA-N 1 2 320.455 0.131 10 0 DCAELO CN(C(=O)NC[C@H]1C[N@H+](C)CCO1)[C@H]1CCCc2c1cnn2C ZINC000158465509 545856304 /nfs/dbraw/zinc/85/63/04/545856304.db2.gz ULZUABBPGIJWTD-JSGCOSHPSA-N 1 2 321.425 0.770 10 0 DCAELO CN(C(=O)NC[C@H]1C[N@@H+](C)CCO1)[C@H]1CCCc2c1cnn2C ZINC000158465509 545856308 /nfs/dbraw/zinc/85/63/08/545856308.db2.gz ULZUABBPGIJWTD-JSGCOSHPSA-N 1 2 321.425 0.770 10 0 DCAELO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1CC(=O)N(C3CC3)C1)C2 ZINC000164471246 545876348 /nfs/dbraw/zinc/87/63/48/545876348.db2.gz IQEPDSFMYBXOBT-MNOVXSKESA-N 1 2 302.378 0.703 10 0 DCAELO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1CC(=O)N(C3CC3)C1)CC2 ZINC000164471246 545876349 /nfs/dbraw/zinc/87/63/49/545876349.db2.gz IQEPDSFMYBXOBT-MNOVXSKESA-N 1 2 302.378 0.703 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)CCC(C)=O)nc[nH+]1 ZINC000192938678 545929883 /nfs/dbraw/zinc/92/98/83/545929883.db2.gz KDEVZGVCJOONBM-GFCCVEGCSA-N 1 2 305.382 0.973 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)CCC(C)=O)[nH+]cn1 ZINC000192938678 545929888 /nfs/dbraw/zinc/92/98/88/545929888.db2.gz KDEVZGVCJOONBM-GFCCVEGCSA-N 1 2 305.382 0.973 10 0 DCAELO Cc1csc(NC(=O)C[NH+]2CCC3(CNC(=O)C3)CC2)n1 ZINC000532589294 546289708 /nfs/dbraw/zinc/28/97/08/546289708.db2.gz KJRGMBDLSRMWOB-UHFFFAOYSA-N 1 2 308.407 0.992 10 0 DCAELO CCCNC(=O)[C@H]1CCC[N@H+](Cn2cc(C(=O)OC)nn2)C1 ZINC000050899798 658501751 /nfs/dbraw/zinc/50/17/51/658501751.db2.gz BCWWQFQHMCUEIM-NSHDSACASA-N 1 2 309.370 0.260 10 0 DCAELO CCCNC(=O)[C@H]1CCC[N@@H+](Cn2cc(C(=O)OC)nn2)C1 ZINC000050899798 658501759 /nfs/dbraw/zinc/50/17/59/658501759.db2.gz BCWWQFQHMCUEIM-NSHDSACASA-N 1 2 309.370 0.260 10 0 DCAELO O=S(=O)(C[C@@H]1CCCO1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261828694 661732640 /nfs/dbraw/zinc/73/26/40/661732640.db2.gz YMPKCBSHIDQIQB-UONOGXRCSA-N 1 2 311.407 0.537 10 0 DCAELO CCN(CC)C(=O)N1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000262914374 662597980 /nfs/dbraw/zinc/59/79/80/662597980.db2.gz GCWCQTUONGUVTE-LLVKDONJSA-N 1 2 318.368 0.590 10 0 DCAELO O=C(N[C@H]1CCCN(c2ncccn2)C1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263086876 662627073 /nfs/dbraw/zinc/62/70/73/662627073.db2.gz YBJWEQZEBPTAQK-WDEREUQCSA-N 1 2 311.336 0.559 10 0 DCAELO Cc1nc(CC(=O)NCCCn2cc[nH+]c2)c(C)c(=O)n1C ZINC000222931841 664395485 /nfs/dbraw/zinc/39/54/85/664395485.db2.gz VJSGHKSEOWDSLF-UHFFFAOYSA-N 1 2 303.366 0.343 10 0 DCAELO C[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3n[nH]c(=O)[n-]3)C2)ccn1 ZINC000886096377 667731846 /nfs/dbraw/zinc/73/18/46/667731846.db2.gz CXWHEBGGTMKXGD-CYBMUJFWSA-N 1 2 318.381 0.620 10 0 DCAELO C[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3n[nH]c(=O)[n-]3)C2)ccn1 ZINC000886096377 667731852 /nfs/dbraw/zinc/73/18/52/667731852.db2.gz CXWHEBGGTMKXGD-CYBMUJFWSA-N 1 2 318.381 0.620 10 0 DCAELO CNC(=O)CC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000187261659 669716419 /nfs/dbraw/zinc/71/64/19/669716419.db2.gz DMIVAYNFLUZDRF-UHFFFAOYSA-N 1 2 318.421 0.974 10 0 DCAELO Cn1nncc1C[N@@H+]1CCC[C@@](O)(Cc2nc(C3CC3)no2)C1 ZINC000818189649 670986587 /nfs/dbraw/zinc/98/65/87/670986587.db2.gz VOVXSGPIAPQOIZ-OAHLLOKOSA-N 1 2 318.381 0.645 10 0 DCAELO Cn1nncc1C[N@H+]1CCC[C@@](O)(Cc2nc(C3CC3)no2)C1 ZINC000818189649 670986589 /nfs/dbraw/zinc/98/65/89/670986589.db2.gz VOVXSGPIAPQOIZ-OAHLLOKOSA-N 1 2 318.381 0.645 10 0 DCAELO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CSC(C)(C)C ZINC000176555742 685146273 /nfs/dbraw/zinc/14/62/73/685146273.db2.gz AHOVGTOPCSXDKZ-LBPRGKRZSA-N 1 2 304.456 0.670 10 0 DCAELO CC(=O)N1CSC[C@@H]1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178377498 685150844 /nfs/dbraw/zinc/15/08/44/685150844.db2.gz DPEHKQKZTBGYPY-GFCCVEGCSA-N 1 2 304.375 0.872 10 0 DCAELO COC(=O)[C@H]1CC(=O)N(C[N@@H+]2CCC[C@@H]2Cn2ccnc2C)C1 ZINC000248414389 685174604 /nfs/dbraw/zinc/17/46/04/685174604.db2.gz GWSIHNABTMDCLU-UONOGXRCSA-N 1 2 320.393 0.635 10 0 DCAELO COC(=O)[C@H]1CC(=O)N(C[N@H+]2CCC[C@@H]2Cn2ccnc2C)C1 ZINC000248414389 685174607 /nfs/dbraw/zinc/17/46/07/685174607.db2.gz GWSIHNABTMDCLU-UONOGXRCSA-N 1 2 320.393 0.635 10 0 DCAELO O=C(c1cc2c(cn1)nc[nH]c2=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000188845956 1187812834 /nfs/dbraw/zinc/81/28/34/1187812834.db2.gz DIBNIXPFFWWPAF-UHFFFAOYSA-N 1 2 324.344 0.992 10 0 DCAELO NC(=O)[C@@]1(O)CCC[N@H+](Cc2cncc(Br)c2)C1 ZINC000311007361 231117047 /nfs/dbraw/zinc/11/70/47/231117047.db2.gz LANYGAQUUNPKMV-GFCCVEGCSA-N 1 2 314.183 0.656 10 0 DCAELO NC(=O)[C@@]1(O)CCC[N@@H+](Cc2cncc(Br)c2)C1 ZINC000311007361 231117049 /nfs/dbraw/zinc/11/70/49/231117049.db2.gz LANYGAQUUNPKMV-GFCCVEGCSA-N 1 2 314.183 0.656 10 0 DCAELO Cc1nn(C)cc1[C@H](C)NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000285313808 282300186 /nfs/dbraw/zinc/30/01/86/282300186.db2.gz HRVUGLBYLJBRTH-GLQYFDAESA-N 1 2 321.425 0.904 10 0 DCAELO Cc1nn(C)cc1[C@H](C)NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000285313808 282300187 /nfs/dbraw/zinc/30/01/87/282300187.db2.gz HRVUGLBYLJBRTH-GLQYFDAESA-N 1 2 321.425 0.904 10 0 DCAELO COC[C@@H](O)CN1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000171973417 198018747 /nfs/dbraw/zinc/01/87/47/198018747.db2.gz LIUBBBGVZKRFPI-HOTGVXAUSA-N 1 2 324.421 0.051 10 0 DCAELO C[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CCS1(=O)=O ZINC000172373754 198087520 /nfs/dbraw/zinc/08/75/20/198087520.db2.gz UPXYIWNPYZLIFF-HIFRSBDPSA-N 1 2 324.446 0.805 10 0 DCAELO CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H]2CCCc3[nH]ncc32)CC1 ZINC000179414087 199031308 /nfs/dbraw/zinc/03/13/08/199031308.db2.gz JWLOSCDUTWMSPF-CHWSQXEVSA-N 1 2 306.410 0.745 10 0 DCAELO Cc1conc1NC(=O)C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000180257880 199137887 /nfs/dbraw/zinc/13/78/87/199137887.db2.gz UNTDEHLBQWTQFG-CMPLNLGQSA-N 1 2 322.365 0.101 10 0 DCAELO Cc1ccc(NC(=O)C(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)c(C)[nH+]1 ZINC000163680864 237114319 /nfs/dbraw/zinc/11/43/19/237114319.db2.gz GVMMGGBENMYUFZ-PWSUYJOCSA-N 1 2 318.377 0.749 10 0 DCAELO CN(C)c1[nH+]cccc1CNC(=O)N(C)CC1(O)CCOCC1 ZINC000187395828 200106857 /nfs/dbraw/zinc/10/68/57/200106857.db2.gz STPXIHYMPUDSIF-UHFFFAOYSA-N 1 2 322.409 0.831 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)c2cc(F)cc(F)c2)CC[N@@H+]1CCO ZINC000188721106 200295007 /nfs/dbraw/zinc/29/50/07/200295007.db2.gz OXENEZPRRJHOIY-SNVBAGLBSA-N 1 2 320.361 0.652 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)c2cc(F)cc(F)c2)CC[N@H+]1CCO ZINC000188721106 200295009 /nfs/dbraw/zinc/29/50/09/200295009.db2.gz OXENEZPRRJHOIY-SNVBAGLBSA-N 1 2 320.361 0.652 10 0 DCAELO C[C@H]1CN(S(=O)(=O)c2cccc(F)c2F)CC[N@@H+]1CCO ZINC000188728195 200295138 /nfs/dbraw/zinc/29/51/38/200295138.db2.gz QYGJOUYLTHYXRU-JTQLQIEISA-N 1 2 320.361 0.652 10 0 DCAELO C[C@H]1CN(S(=O)(=O)c2cccc(F)c2F)CC[N@H+]1CCO ZINC000188728195 200295139 /nfs/dbraw/zinc/29/51/39/200295139.db2.gz QYGJOUYLTHYXRU-JTQLQIEISA-N 1 2 320.361 0.652 10 0 DCAELO CC(C)CCn1cc(C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)nn1 ZINC000188729178 200296195 /nfs/dbraw/zinc/29/61/95/200296195.db2.gz OSCNIVXYCLSLFO-ZDUSSCGKSA-N 1 2 309.414 0.463 10 0 DCAELO CC(C)CCn1cc(C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)nn1 ZINC000188729178 200296196 /nfs/dbraw/zinc/29/61/96/200296196.db2.gz OSCNIVXYCLSLFO-ZDUSSCGKSA-N 1 2 309.414 0.463 10 0 DCAELO CO[C@H]1C[C@@H](CO)[N@H+](Cc2nnnn2Cc2ccccc2)C1 ZINC000309875086 291251997 /nfs/dbraw/zinc/25/19/97/291251997.db2.gz SVSRXHGRFKCPOF-KBPBESRZSA-N 1 2 303.366 0.303 10 0 DCAELO CO[C@H]1C[C@@H](CO)[N@@H+](Cc2nnnn2Cc2ccccc2)C1 ZINC000309875086 291252001 /nfs/dbraw/zinc/25/20/01/291252001.db2.gz SVSRXHGRFKCPOF-KBPBESRZSA-N 1 2 303.366 0.303 10 0 DCAELO C[C@H](c1cccnc1)[N@H+](C)CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000093234532 193219826 /nfs/dbraw/zinc/21/98/26/193219826.db2.gz VNDNWSWYVFZGGD-OCCSQVGLSA-N 1 2 304.394 0.798 10 0 DCAELO C[C@H](c1cccnc1)[N@@H+](C)CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000093234532 193219827 /nfs/dbraw/zinc/21/98/27/193219827.db2.gz VNDNWSWYVFZGGD-OCCSQVGLSA-N 1 2 304.394 0.798 10 0 DCAELO O=C([C@H]1Cc2ccccc2O1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172761697 296154398 /nfs/dbraw/zinc/15/43/98/296154398.db2.gz YEEHQFFWAWOGQV-GOEBONIOSA-N 1 2 302.374 0.923 10 0 DCAELO CC(=O)N1CC[NH+](CCNc2nccnc2OC(F)F)CC1 ZINC000288239653 220036950 /nfs/dbraw/zinc/03/69/50/220036950.db2.gz WXDBFIJKNYHHOQ-UHFFFAOYSA-N 1 2 315.324 0.654 10 0 DCAELO Cn1cc[nH+]c1[C@H]1CN(C(=O)[C@]2(C)CCC(=O)NC2)CCN1C ZINC000282532624 217067935 /nfs/dbraw/zinc/06/79/35/217067935.db2.gz YYPPYUUCEPWIDE-MLGOLLRUSA-N 1 2 319.409 0.152 10 0 DCAELO Cn1cc[nH+]c1[C@@H]1CN(C(=O)[C@@]2(C)CCC(=O)NC2)CCN1C ZINC000282532620 217068481 /nfs/dbraw/zinc/06/84/81/217068481.db2.gz YYPPYUUCEPWIDE-LRDDRELGSA-N 1 2 319.409 0.152 10 0 DCAELO COc1ccccc1CCNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000104776949 194037981 /nfs/dbraw/zinc/03/79/81/194037981.db2.gz QEOLJNBUPGMFBD-CQSZACIVSA-N 1 2 307.394 0.868 10 0 DCAELO COc1ccccc1CCNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000104776949 194037982 /nfs/dbraw/zinc/03/79/82/194037982.db2.gz QEOLJNBUPGMFBD-CQSZACIVSA-N 1 2 307.394 0.868 10 0 DCAELO Cn1nnc2ccc(-c3nc([C@@H]4C[NH+]5CCN4CC5)no3)cc21 ZINC000273866743 211127153 /nfs/dbraw/zinc/12/71/53/211127153.db2.gz CMESSHHDZZBTAP-ZDUSSCGKSA-N 1 2 311.349 0.691 10 0 DCAELO O=c1[nH]c2cccc(-c3nc([C@H]4C[NH+]5CCN4CC5)no3)c2o1 ZINC000273860725 211119862 /nfs/dbraw/zinc/11/98/62/211119862.db2.gz CDESFJDGTHFFFX-LLVKDONJSA-N 1 2 313.317 0.843 10 0 DCAELO O=C(c1cn[nH]n1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105817496 194136240 /nfs/dbraw/zinc/13/62/40/194136240.db2.gz HAMCMFDLSNZPRA-AWEZNQCLSA-N 1 2 301.350 0.296 10 0 DCAELO CCCNC(=O)[C@H](C)[NH+]1CCN(c2nccc(OCC)n2)CC1 ZINC000105868453 194151764 /nfs/dbraw/zinc/15/17/64/194151764.db2.gz UGIKXXCKBYEICZ-ZDUSSCGKSA-N 1 2 321.425 0.912 10 0 DCAELO COCC[N@@H+]1CCN(S(=O)(=O)N2CCC[C@@H]2C)C[C@H]1C ZINC000184998348 532969327 /nfs/dbraw/zinc/96/93/27/532969327.db2.gz GTYNQERIYDWFTP-QWHCGFSZSA-N 1 2 305.444 0.368 10 0 DCAELO COCC[N@H+]1CCN(S(=O)(=O)N2CCC[C@@H]2C)C[C@H]1C ZINC000184998348 532969331 /nfs/dbraw/zinc/96/93/31/532969331.db2.gz GTYNQERIYDWFTP-QWHCGFSZSA-N 1 2 305.444 0.368 10 0 DCAELO CNc1nc(C)cc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC000286533210 219039685 /nfs/dbraw/zinc/03/96/85/219039685.db2.gz VYWPCACQUIPPHK-STQMWFEESA-N 1 2 305.382 0.372 10 0 DCAELO CNc1nc(C)cc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000286533210 219039686 /nfs/dbraw/zinc/03/96/86/219039686.db2.gz VYWPCACQUIPPHK-STQMWFEESA-N 1 2 305.382 0.372 10 0 DCAELO CO[C@H]1C[C@@H](C(=O)Nc2cn(Cc3ccccc3)nn2)[N@H+](C)C1 ZINC000346440230 254052486 /nfs/dbraw/zinc/05/24/86/254052486.db2.gz UOGMTYVKFBUXQJ-KBPBESRZSA-N 1 2 315.377 0.984 10 0 DCAELO CO[C@H]1C[C@@H](C(=O)Nc2cn(Cc3ccccc3)nn2)[N@@H+](C)C1 ZINC000346440230 254052489 /nfs/dbraw/zinc/05/24/89/254052489.db2.gz UOGMTYVKFBUXQJ-KBPBESRZSA-N 1 2 315.377 0.984 10 0 DCAELO CN(C)C(=O)CO[C@@H]1C[N@H+](Cc2nccs2)[C@H]2COC[C@H]21 ZINC000247944039 257114109 /nfs/dbraw/zinc/11/41/09/257114109.db2.gz APMBVRZNJJGDGT-GRYCIOLGSA-N 1 2 311.407 0.447 10 0 DCAELO CN(C)C(=O)CO[C@@H]1C[N@@H+](Cc2nccs2)[C@H]2COC[C@H]21 ZINC000247944039 257114110 /nfs/dbraw/zinc/11/41/10/257114110.db2.gz APMBVRZNJJGDGT-GRYCIOLGSA-N 1 2 311.407 0.447 10 0 DCAELO CCN1CC[N@@H+]([C@H]2CCN(C3CC3)C2=O)C[C@@H]1c1ncc[nH]1 ZINC000329964553 285337358 /nfs/dbraw/zinc/33/73/58/285337358.db2.gz UNKXGWMOCDMSRX-UONOGXRCSA-N 1 2 303.410 0.852 10 0 DCAELO CCN1CC[N@H+]([C@H]2CCN(C3CC3)C2=O)C[C@@H]1c1ncc[nH]1 ZINC000329964553 285337360 /nfs/dbraw/zinc/33/73/60/285337360.db2.gz UNKXGWMOCDMSRX-UONOGXRCSA-N 1 2 303.410 0.852 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)CNC(=O)c3cccs3)C[C@H]21 ZINC000283958016 131036098 /nfs/dbraw/zinc/03/60/98/131036098.db2.gz GIHKTYVWNFEMRD-NEPJUHHUSA-N 1 2 323.418 0.409 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)CNC(=O)c3cccs3)C[C@H]21 ZINC000283958016 131036100 /nfs/dbraw/zinc/03/61/00/131036100.db2.gz GIHKTYVWNFEMRD-NEPJUHHUSA-N 1 2 323.418 0.409 10 0 DCAELO C[C@@H]1CN(C(=O)COCc2ccnn2C)C[C@@H]1[NH+]1CCOCC1 ZINC000284238977 131062126 /nfs/dbraw/zinc/06/21/26/131062126.db2.gz FMSAPTRRLNUHPN-HIFRSBDPSA-N 1 2 322.409 0.116 10 0 DCAELO C[C@@H]1CN(c2cc(N3CCSCC3)nc[nH+]2)C[C@H]1C(N)=O ZINC000284572798 131092853 /nfs/dbraw/zinc/09/28/53/131092853.db2.gz IUTDRCKJSWPUHM-GHMZBOCLSA-N 1 2 307.423 0.587 10 0 DCAELO C[C@@H]1CN(c2cc(N3CCSCC3)[nH+]cn2)C[C@H]1C(N)=O ZINC000284572798 131092854 /nfs/dbraw/zinc/09/28/54/131092854.db2.gz IUTDRCKJSWPUHM-GHMZBOCLSA-N 1 2 307.423 0.587 10 0 DCAELO O[C@H](CNc1ccc(OC(F)F)cn1)C[NH+]1CCOCC1 ZINC000094132236 395740047 /nfs/dbraw/zinc/74/00/47/395740047.db2.gz VSPUKTNTKKCZFO-SNVBAGLBSA-N 1 2 303.309 0.788 10 0 DCAELO Cc1ccc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCOCC2)cc1F ZINC000041600982 395738667 /nfs/dbraw/zinc/73/86/67/395738667.db2.gz QGVNELUEBKBWOI-LBPRGKRZSA-N 1 2 323.368 0.910 10 0 DCAELO CN1C(=O)Cc2cc(NC(=O)NC[C@H]3C[N@H+](C)CCO3)ccc21 ZINC000194134797 395789238 /nfs/dbraw/zinc/78/92/38/395789238.db2.gz TWEVOBGRYQRKFZ-ZDUSSCGKSA-N 1 2 318.377 0.658 10 0 DCAELO CN1C(=O)Cc2cc(NC(=O)NC[C@H]3C[N@@H+](C)CCO3)ccc21 ZINC000194134797 395789242 /nfs/dbraw/zinc/78/92/42/395789242.db2.gz TWEVOBGRYQRKFZ-ZDUSSCGKSA-N 1 2 318.377 0.658 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2cccc(N3CCCC3=O)c2)C1 ZINC000194629067 395802658 /nfs/dbraw/zinc/80/26/58/395802658.db2.gz QUHHTRICFOVLMA-HNNXBMFYSA-N 1 2 317.389 0.874 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)c2cccc(N3CCCC3=O)c2)C1 ZINC000194629067 395802662 /nfs/dbraw/zinc/80/26/62/395802662.db2.gz QUHHTRICFOVLMA-HNNXBMFYSA-N 1 2 317.389 0.874 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(Br)cn2)C1 ZINC000112335624 395816495 /nfs/dbraw/zinc/81/64/95/395816495.db2.gz ZZPALUGDPAIYHX-JTQLQIEISA-N 1 2 314.183 0.905 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(Br)cn2)C1 ZINC000112335624 395816498 /nfs/dbraw/zinc/81/64/98/395816498.db2.gz ZZPALUGDPAIYHX-JTQLQIEISA-N 1 2 314.183 0.905 10 0 DCAELO CCC(C)(C)NC(=O)CN1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000198355918 395832966 /nfs/dbraw/zinc/83/29/66/395832966.db2.gz BAOSNPGPVXGVMU-CYBMUJFWSA-N 1 2 324.469 0.576 10 0 DCAELO C[NH+](C)[C@@H](CNC(=O)[C@H]1CNC(=O)C1)c1c(F)cccc1F ZINC000115412639 395839884 /nfs/dbraw/zinc/83/98/84/395839884.db2.gz UTQYLUSLBWECKQ-SKDRFNHKSA-N 1 2 311.332 0.820 10 0 DCAELO C[C@H](CNC(=O)N1CC[C@H](c2cnn(C)c2)C1)[NH+]1CCOCC1 ZINC000116418325 395844111 /nfs/dbraw/zinc/84/41/11/395844111.db2.gz JPFPHKMQJVPMLW-KGLIPLIRSA-N 1 2 321.425 0.640 10 0 DCAELO CN(CC(=O)NC[C@H]1C[N@H+](C)CCO1)C(=O)c1cccs1 ZINC000194612679 395801848 /nfs/dbraw/zinc/80/18/48/395801848.db2.gz XGXQBJQQJSFJDF-NSHDSACASA-N 1 2 311.407 0.267 10 0 DCAELO CN(CC(=O)NC[C@H]1C[N@@H+](C)CCO1)C(=O)c1cccs1 ZINC000194612679 395801851 /nfs/dbraw/zinc/80/18/51/395801851.db2.gz XGXQBJQQJSFJDF-NSHDSACASA-N 1 2 311.407 0.267 10 0 DCAELO CN1C(=O)C[C@H]([N@@H+]2CCO[C@]3(CCc4ccccc43)C2)C1=O ZINC000133604217 395929505 /nfs/dbraw/zinc/92/95/05/395929505.db2.gz OUOZUUXUOKJHBS-WMLDXEAASA-N 1 2 300.358 0.918 10 0 DCAELO CN1C(=O)C[C@H]([N@H+]2CCO[C@]3(CCc4ccccc43)C2)C1=O ZINC000133604217 395929508 /nfs/dbraw/zinc/92/95/08/395929508.db2.gz OUOZUUXUOKJHBS-WMLDXEAASA-N 1 2 300.358 0.918 10 0 DCAELO C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@@H+]1CCNC(=O)CC1 ZINC000054867681 395907490 /nfs/dbraw/zinc/90/74/90/395907490.db2.gz ZJOGNYOGEYUQFL-LBPRGKRZSA-N 1 2 307.369 0.695 10 0 DCAELO C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@H+]1CCNC(=O)CC1 ZINC000054867681 395907492 /nfs/dbraw/zinc/90/74/92/395907492.db2.gz ZJOGNYOGEYUQFL-LBPRGKRZSA-N 1 2 307.369 0.695 10 0 DCAELO CN(C)C(=O)CN1CCC[N@H+](CC(=O)N2CCCCCC2)CC1 ZINC000126941170 395914191 /nfs/dbraw/zinc/91/41/91/395914191.db2.gz DOPZNTURXVMZKC-UHFFFAOYSA-N 1 2 324.469 0.485 10 0 DCAELO CN(C)C(=O)CN1CCC[N@@H+](CC(=O)N2CCCCCC2)CC1 ZINC000126941170 395914195 /nfs/dbraw/zinc/91/41/95/395914195.db2.gz DOPZNTURXVMZKC-UHFFFAOYSA-N 1 2 324.469 0.485 10 0 DCAELO CCS(=O)(=O)NCC[N@@H+]1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000225515374 395861606 /nfs/dbraw/zinc/86/16/06/395861606.db2.gz GVKSXEMSIJZUPF-UONOGXRCSA-N 1 2 316.398 0.873 10 0 DCAELO CCS(=O)(=O)NCC[N@H+]1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000225515374 395861608 /nfs/dbraw/zinc/86/16/08/395861608.db2.gz GVKSXEMSIJZUPF-UONOGXRCSA-N 1 2 316.398 0.873 10 0 DCAELO C[N@H+](CC(=O)NC1CC1)CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000120497083 395882163 /nfs/dbraw/zinc/88/21/63/395882163.db2.gz PFXHRYONPQKVSG-SNVBAGLBSA-N 1 2 321.343 0.998 10 0 DCAELO C[N@@H+](CC(=O)NC1CC1)CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000120497083 395882166 /nfs/dbraw/zinc/88/21/66/395882166.db2.gz PFXHRYONPQKVSG-SNVBAGLBSA-N 1 2 321.343 0.998 10 0 DCAELO CNC(=O)[C@H]1C[N@H+](Cc2ccc(N(C)C(C)C)nc2)CCO1 ZINC000248842011 395998383 /nfs/dbraw/zinc/99/83/83/395998383.db2.gz LXIJAGSBDZIMMC-CQSZACIVSA-N 1 2 306.410 0.873 10 0 DCAELO CNC(=O)[C@H]1C[N@@H+](Cc2ccc(N(C)C(C)C)nc2)CCO1 ZINC000248842011 395998387 /nfs/dbraw/zinc/99/83/87/395998387.db2.gz LXIJAGSBDZIMMC-CQSZACIVSA-N 1 2 306.410 0.873 10 0 DCAELO COc1ccc(CN2CCC[N@@H+]([C@@H]3CCNC3=O)CC2=O)cc1 ZINC000274325028 395939644 /nfs/dbraw/zinc/93/96/44/395939644.db2.gz 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ZINC000248572214 395989614 /nfs/dbraw/zinc/98/96/14/395989614.db2.gz RNYASSXDZMXEHJ-CHWSQXEVSA-N 1 2 316.760 0.959 10 0 DCAELO CNC(=O)[C@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2Cl)CCO1 ZINC000248572214 395989618 /nfs/dbraw/zinc/98/96/18/395989618.db2.gz RNYASSXDZMXEHJ-CHWSQXEVSA-N 1 2 316.760 0.959 10 0 DCAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H](C)[C@@H](CO)SC ZINC000248621802 395991547 /nfs/dbraw/zinc/99/15/47/395991547.db2.gz AVPCEJLWGKVMIX-JHJVBQTASA-N 1 2 304.456 0.716 10 0 DCAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@H](C)[C@@H](CO)SC ZINC000248621802 395991549 /nfs/dbraw/zinc/99/15/49/395991549.db2.gz AVPCEJLWGKVMIX-JHJVBQTASA-N 1 2 304.456 0.716 10 0 DCAELO CCOc1ccccc1C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000154110009 396031146 /nfs/dbraw/zinc/03/11/46/396031146.db2.gz ZPFKEOLRWQDZDP-ZDUSSCGKSA-N 1 2 308.378 0.508 10 0 DCAELO O=C(CCCOc1ccccc1)NC[C@H](O)C[NH+]1CCOCC1 ZINC000154127860 396032020 /nfs/dbraw/zinc/03/20/20/396032020.db2.gz SOSQMGQGIYRETE-HNNXBMFYSA-N 1 2 322.405 0.655 10 0 DCAELO COCc1cccc(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000154151459 396032994 /nfs/dbraw/zinc/03/29/94/396032994.db2.gz VRYKFBZWPOCVGJ-OAHLLOKOSA-N 1 2 308.378 0.256 10 0 DCAELO Cc1c(NC(=O)[C@H]2COCC[NH2+]2)c(=O)n(-c2ccccc2)n1C ZINC000261718112 396059083 /nfs/dbraw/zinc/05/90/83/396059083.db2.gz LRSBEJZUYZUTHB-CYBMUJFWSA-N 1 2 316.361 0.411 10 0 DCAELO CC(C)c1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000250427269 396014702 /nfs/dbraw/zinc/01/47/02/396014702.db2.gz GKHQWPSMKZHZLF-CZUORRHYSA-N 1 2 322.405 0.736 10 0 DCAELO CC(C)c1ccccc1OC[C@H](O)C[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000250427269 396014703 /nfs/dbraw/zinc/01/47/03/396014703.db2.gz GKHQWPSMKZHZLF-CZUORRHYSA-N 1 2 322.405 0.736 10 0 DCAELO Cc1csc([C@H]2C[N@H+](CCCS(N)(=O)=O)CCO2)n1 ZINC000170914488 396101701 /nfs/dbraw/zinc/10/17/01/396101701.db2.gz AJIRYOSJKAONER-SNVBAGLBSA-N 1 2 305.425 0.503 10 0 DCAELO Cc1csc([C@H]2C[N@@H+](CCCS(N)(=O)=O)CCO2)n1 ZINC000170914488 396101702 /nfs/dbraw/zinc/10/17/02/396101702.db2.gz AJIRYOSJKAONER-SNVBAGLBSA-N 1 2 305.425 0.503 10 0 DCAELO O=C([C@@H]1CNC(=O)C1)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000171020384 396103986 /nfs/dbraw/zinc/10/39/86/396103986.db2.gz OKWSNPGCHMOJAQ-NSHDSACASA-N 1 2 308.407 0.314 10 0 DCAELO O=C([C@@H]1CNC(=O)C1)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000171020384 396103990 /nfs/dbraw/zinc/10/39/90/396103990.db2.gz OKWSNPGCHMOJAQ-NSHDSACASA-N 1 2 308.407 0.314 10 0 DCAELO C[C@@H](CNC(=O)NC[C@H](CO)c1ccccc1)[NH+]1CCOCC1 ZINC000175772453 396142645 /nfs/dbraw/zinc/14/26/45/396142645.db2.gz ABFXOQAUWDASAM-GOEBONIOSA-N 1 2 321.421 0.782 10 0 DCAELO Cc1nc(CN2CCN(C(=O)[C@H]3CC(F)(F)C[NH2+]3)CC2)no1 ZINC000263184129 396205316 /nfs/dbraw/zinc/20/53/16/396205316.db2.gz HBYDGYWQLAGKSQ-SNVBAGLBSA-N 1 2 315.324 0.019 10 0 DCAELO Cc1cc(N2CC[C@H]([N@H+](C)Cc3cnccn3)C2=O)n(C)n1 ZINC000177250163 396170457 /nfs/dbraw/zinc/17/04/57/396170457.db2.gz UKOQJPUTDBQUTB-ZDUSSCGKSA-N 1 2 300.366 0.756 10 0 DCAELO Cc1cc(N2CC[C@H]([N@@H+](C)Cc3cnccn3)C2=O)n(C)n1 ZINC000177250163 396170458 /nfs/dbraw/zinc/17/04/58/396170458.db2.gz UKOQJPUTDBQUTB-ZDUSSCGKSA-N 1 2 300.366 0.756 10 0 DCAELO COc1c2cnn(C)c2ncc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000182725174 396253350 /nfs/dbraw/zinc/25/33/50/396253350.db2.gz DEJLPGWICBZWQY-UHFFFAOYSA-N 1 2 300.322 0.673 10 0 DCAELO CC1(C)COCC[N@@H+]1CCNC(=O)NCCCn1ccnn1 ZINC000182724870 396253528 /nfs/dbraw/zinc/25/35/28/396253528.db2.gz IQPHSBCXTMZWAZ-UHFFFAOYSA-N 1 2 310.402 0.078 10 0 DCAELO CC1(C)COCC[N@H+]1CCNC(=O)NCCCn1ccnn1 ZINC000182724870 396253531 /nfs/dbraw/zinc/25/35/31/396253531.db2.gz IQPHSBCXTMZWAZ-UHFFFAOYSA-N 1 2 310.402 0.078 10 0 DCAELO O=C(C[N@H+]1C[C@H](O)C[C@@H]1CO)Nc1cc(Cl)ccc1F ZINC000179172801 396222814 /nfs/dbraw/zinc/22/28/14/396222814.db2.gz VZVKVBPSPPSOCJ-NXEZZACHSA-N 1 2 302.733 0.845 10 0 DCAELO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1CO)Nc1cc(Cl)ccc1F ZINC000179172801 396222817 /nfs/dbraw/zinc/22/28/17/396222817.db2.gz VZVKVBPSPPSOCJ-NXEZZACHSA-N 1 2 302.733 0.845 10 0 DCAELO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1CO)Nc1nc2ccccc2s1 ZINC000179171496 396223152 /nfs/dbraw/zinc/22/31/52/396223152.db2.gz YTQRGVRQOBVYNN-ZJUUUORDSA-N 1 2 307.375 0.662 10 0 DCAELO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1CO)Nc1nc2ccccc2s1 ZINC000179171496 396223157 /nfs/dbraw/zinc/22/31/57/396223157.db2.gz YTQRGVRQOBVYNN-ZJUUUORDSA-N 1 2 307.375 0.662 10 0 DCAELO Cc1ncc(C(=O)N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)[nH]1 ZINC000077615406 396227044 /nfs/dbraw/zinc/22/70/44/396227044.db2.gz MEFIATWEJFFYKC-ZDUSSCGKSA-N 1 2 305.382 0.097 10 0 DCAELO Cc1cccc(C)c1-n1nnnc1C[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000185190832 396320930 /nfs/dbraw/zinc/32/09/30/396320930.db2.gz UUNUVAZEWBSMKL-OLZOCXBDSA-N 1 2 303.366 0.207 10 0 DCAELO Cc1cccc(C)c1-n1nnnc1C[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000185190832 396320934 /nfs/dbraw/zinc/32/09/34/396320934.db2.gz UUNUVAZEWBSMKL-OLZOCXBDSA-N 1 2 303.366 0.207 10 0 DCAELO COCC(=O)NC1C[NH+](C[C@H](O)COc2ccccc2F)C1 ZINC000185089881 396316826 /nfs/dbraw/zinc/31/68/26/396316826.db2.gz VDEGDMFQJZFZDO-LBPRGKRZSA-N 1 2 312.341 0.012 10 0 DCAELO COCC(=O)NC1C[NH+](C[C@@H](O)COc2cc(C)cc(C)c2)C1 ZINC000185091946 396317983 /nfs/dbraw/zinc/31/79/83/396317983.db2.gz LBFZAZIEFQDAAZ-OAHLLOKOSA-N 1 2 322.405 0.490 10 0 DCAELO O=C(C[N@@H+]1CCO[C@]2(CCOC2)C1)N1CCO[C@H]2CCCC[C@H]21 ZINC000185151020 396319376 /nfs/dbraw/zinc/31/93/76/396319376.db2.gz NMTTWBPGQHJHTJ-HLLBOEOZSA-N 1 2 324.421 0.648 10 0 DCAELO O=C(C[N@H+]1CCO[C@]2(CCOC2)C1)N1CCO[C@H]2CCCC[C@H]21 ZINC000185151020 396319377 /nfs/dbraw/zinc/31/93/77/396319377.db2.gz NMTTWBPGQHJHTJ-HLLBOEOZSA-N 1 2 324.421 0.648 10 0 DCAELO CC[C@@H]1CN(S(=O)(=O)CCCCOC)CC[N@@H+]1CCOC ZINC000184749855 396304575 /nfs/dbraw/zinc/30/45/75/396304575.db2.gz NSFQKSPZASSKCB-CQSZACIVSA-N 1 2 322.471 0.785 10 0 DCAELO CC[C@@H]1CN(S(=O)(=O)CCCCOC)CC[N@H+]1CCOC ZINC000184749855 396304578 /nfs/dbraw/zinc/30/45/78/396304578.db2.gz NSFQKSPZASSKCB-CQSZACIVSA-N 1 2 322.471 0.785 10 0 DCAELO C[C@@H]1CN(C(=O)CCCCc2c[nH]nn2)C[C@H]1[NH+]1CCOCC1 ZINC000184829623 396308161 /nfs/dbraw/zinc/30/81/61/396308161.db2.gz DXMLXQZKDGHKAI-UKRRQHHQSA-N 1 2 321.425 0.697 10 0 DCAELO C[C@@H]1CN(C(=O)CCCCc2cn[nH]n2)C[C@H]1[NH+]1CCOCC1 ZINC000184829623 396308163 /nfs/dbraw/zinc/30/81/63/396308163.db2.gz DXMLXQZKDGHKAI-UKRRQHHQSA-N 1 2 321.425 0.697 10 0 DCAELO CCC1(CC)C[N@H+](CCN2C(=O)CCC2=O)CC[S@@]1=O ZINC000185255001 396322950 /nfs/dbraw/zinc/32/29/50/396322950.db2.gz CZLSXJQFNQNACU-FQEVSTJZSA-N 1 2 300.424 0.759 10 0 DCAELO CCC1(CC)C[N@@H+](CCN2C(=O)CCC2=O)CC[S@@]1=O ZINC000185255001 396322951 /nfs/dbraw/zinc/32/29/51/396322951.db2.gz CZLSXJQFNQNACU-FQEVSTJZSA-N 1 2 300.424 0.759 10 0 DCAELO CCNC(=O)NC(=O)C[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000185482756 396328780 /nfs/dbraw/zinc/32/87/80/396328780.db2.gz HXBKGWLGIHUNBT-LLVKDONJSA-N 1 2 316.365 0.764 10 0 DCAELO C[C@]1(C(N)=O)CCCC[N@@H+]1CC(=O)Nc1ccccc1C(N)=O ZINC000185927182 396337140 /nfs/dbraw/zinc/33/71/40/396337140.db2.gz FTNFZKKEOMLIGB-MRXNPFEDSA-N 1 2 318.377 0.454 10 0 DCAELO C[C@]1(C(N)=O)CCCC[N@H+]1CC(=O)Nc1ccccc1C(N)=O ZINC000185927182 396337142 /nfs/dbraw/zinc/33/71/42/396337142.db2.gz FTNFZKKEOMLIGB-MRXNPFEDSA-N 1 2 318.377 0.454 10 0 DCAELO CC[NH+]1CCN(C(=O)C(=O)Nc2ccnn2[C@@H](C)C2CC2)CC1 ZINC000186677215 396355376 /nfs/dbraw/zinc/35/53/76/396355376.db2.gz MZFDRWSLZYSMNQ-LBPRGKRZSA-N 1 2 319.409 0.957 10 0 DCAELO CC(C)N1CC[C@@H]([N@@H+]2CCO[C@](C)(c3cnn(C)c3)C2)C1=O ZINC000268488069 396359915 /nfs/dbraw/zinc/35/99/15/396359915.db2.gz PHDKYLOCBJDODT-ZBFHGGJFSA-N 1 2 306.410 0.977 10 0 DCAELO CC(C)N1CC[C@@H]([N@H+]2CCO[C@](C)(c3cnn(C)c3)C2)C1=O ZINC000268488069 396359918 /nfs/dbraw/zinc/35/99/18/396359918.db2.gz PHDKYLOCBJDODT-ZBFHGGJFSA-N 1 2 306.410 0.977 10 0 DCAELO COC(=O)NCCC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186444805 396349948 /nfs/dbraw/zinc/34/99/48/396349948.db2.gz ALNRHZONLKSWLK-UHFFFAOYSA-N 1 2 306.366 0.866 10 0 DCAELO C[C@@H]1CN(C(=O)CSCc2ccncc2)CC[N@@H+]1CCO ZINC000188749834 396385779 /nfs/dbraw/zinc/38/57/79/396385779.db2.gz FTQSKYKHJLESIC-CYBMUJFWSA-N 1 2 309.435 0.840 10 0 DCAELO C[C@@H]1CN(C(=O)CSCc2ccncc2)CC[N@H+]1CCO ZINC000188749834 396385782 /nfs/dbraw/zinc/38/57/82/396385782.db2.gz FTQSKYKHJLESIC-CYBMUJFWSA-N 1 2 309.435 0.840 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@](C)(O)Cc3ccccc3)C[C@@H]21 ZINC000286297784 396386678 /nfs/dbraw/zinc/38/66/78/396386678.db2.gz HVLAVZGTTODSED-LZLYRXPVSA-N 1 2 318.417 0.912 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@](C)(O)Cc3ccccc3)C[C@@H]21 ZINC000286297784 396386679 /nfs/dbraw/zinc/38/66/79/396386679.db2.gz HVLAVZGTTODSED-LZLYRXPVSA-N 1 2 318.417 0.912 10 0 DCAELO Cc1ccccc1CCNC(=O)C[N@@H+]1CCCNC(=O)[C@H]1C ZINC000189331557 396394459 /nfs/dbraw/zinc/39/44/59/396394459.db2.gz KDCBUTFWSOKHEQ-CQSZACIVSA-N 1 2 303.406 0.864 10 0 DCAELO Cc1ccccc1CCNC(=O)C[N@H+]1CCCNC(=O)[C@H]1C ZINC000189331557 396394462 /nfs/dbraw/zinc/39/44/62/396394462.db2.gz KDCBUTFWSOKHEQ-CQSZACIVSA-N 1 2 303.406 0.864 10 0 DCAELO CC(C)(CNC(=O)N1CC(NC(=O)C2CC2)C1)[NH+]1CCOCC1 ZINC000189952017 396400882 /nfs/dbraw/zinc/40/08/82/396400882.db2.gz HGOSKKYEPUJEPO-UHFFFAOYSA-N 1 2 324.425 0.017 10 0 DCAELO CCc1nnc(C2CC[NH+](CC(=O)N3CCOCC3)CC2)[nH]1 ZINC000190691522 396410279 /nfs/dbraw/zinc/41/02/79/396410279.db2.gz GBSHCPUVUDNMIJ-UHFFFAOYSA-N 1 2 307.398 0.405 10 0 DCAELO CCc1n[nH]c(C2CC[NH+](CC(=O)N3CCOCC3)CC2)n1 ZINC000190691522 396410281 /nfs/dbraw/zinc/41/02/81/396410281.db2.gz GBSHCPUVUDNMIJ-UHFFFAOYSA-N 1 2 307.398 0.405 10 0 DCAELO CCc1nc(C2CC[NH+](CC(=O)N3CCOCC3)CC2)n[nH]1 ZINC000190691522 396410282 /nfs/dbraw/zinc/41/02/82/396410282.db2.gz GBSHCPUVUDNMIJ-UHFFFAOYSA-N 1 2 307.398 0.405 10 0 DCAELO CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(c2nnc(CC)[nH]2)CC1 ZINC000190693365 396410326 /nfs/dbraw/zinc/41/03/26/396410326.db2.gz LTZOXNMDYRGPPN-JTQLQIEISA-N 1 2 322.413 0.781 10 0 DCAELO CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(c2nc(CC)n[nH]2)CC1 ZINC000190693365 396410329 /nfs/dbraw/zinc/41/03/29/396410329.db2.gz LTZOXNMDYRGPPN-JTQLQIEISA-N 1 2 322.413 0.781 10 0 DCAELO CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(c2n[nH]c(CC)n2)CC1 ZINC000190693365 396410331 /nfs/dbraw/zinc/41/03/31/396410331.db2.gz LTZOXNMDYRGPPN-JTQLQIEISA-N 1 2 322.413 0.781 10 0 DCAELO C[C@@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1CCCN(C)C(=O)C1 ZINC000191114328 396416068 /nfs/dbraw/zinc/41/60/68/396416068.db2.gz YOJDMICQUAYAJQ-LBPRGKRZSA-N 1 2 307.369 0.995 10 0 DCAELO C[C@@H](C(=O)NCc1ccc(F)cc1)[N@H+]1CCCN(C)C(=O)C1 ZINC000191114328 396416069 /nfs/dbraw/zinc/41/60/69/396416069.db2.gz YOJDMICQUAYAJQ-LBPRGKRZSA-N 1 2 307.369 0.995 10 0 DCAELO Cc1nnc([C@H]2C[N@H+](C[C@@H]3CC4(CCC4)C(=O)O3)CCO2)[nH]1 ZINC000192045628 396429003 /nfs/dbraw/zinc/42/90/03/396429003.db2.gz IXRJUZBCGAJFOO-NWDGAFQWSA-N 1 2 306.366 0.972 10 0 DCAELO Cc1nnc([C@H]2C[N@@H+](C[C@@H]3CC4(CCC4)C(=O)O3)CCO2)[nH]1 ZINC000192045628 396429005 /nfs/dbraw/zinc/42/90/05/396429005.db2.gz IXRJUZBCGAJFOO-NWDGAFQWSA-N 1 2 306.366 0.972 10 0 DCAELO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(-n2cncn2)cc1 ZINC000372646776 396533795 /nfs/dbraw/zinc/53/37/95/396533795.db2.gz CSVUFOUCRPAPCO-GJZGRUSLSA-N 1 2 316.361 0.766 10 0 DCAELO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(-n2cncn2)cc1 ZINC000372646776 396533798 /nfs/dbraw/zinc/53/37/98/396533798.db2.gz CSVUFOUCRPAPCO-GJZGRUSLSA-N 1 2 316.361 0.766 10 0 DCAELO CN(CC1CC1)C(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000562032317 396650191 /nfs/dbraw/zinc/65/01/91/396650191.db2.gz ARQRWUXGUHEABA-GJZGRUSLSA-N 1 2 323.437 0.614 10 0 DCAELO CO[C@@H]1CC[C@H](NC(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)C1 ZINC000562304271 396656285 /nfs/dbraw/zinc/65/62/85/396656285.db2.gz XCKSOCDDGXWBHC-LSDHHAIUSA-N 1 2 321.425 0.815 10 0 DCAELO CCNC(=O)N1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000373727116 396610279 /nfs/dbraw/zinc/61/02/79/396610279.db2.gz KNAVHIKHRDVMLS-RYUDHWBXSA-N 1 2 305.382 0.366 10 0 DCAELO Cc1[nH+]c2ccccc2n1CC(=O)N1CCN2CCOC[C@@H]2C1 ZINC000374968772 396702280 /nfs/dbraw/zinc/70/22/80/396702280.db2.gz JKCRPEXWRZKCGF-AWEZNQCLSA-N 1 2 314.389 0.888 10 0 DCAELO Cc1ccc(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)c(=O)n1C ZINC000563888757 396790044 /nfs/dbraw/zinc/79/00/44/396790044.db2.gz KLCZXNNQFSQISS-ZDUSSCGKSA-N 1 2 300.362 0.769 10 0 DCAELO COC(=O)C1CCN(C(=O)[C@H](C)[N@@H+]2CCO[C@H](C3CC3)C2)CC1 ZINC000375346070 396730776 /nfs/dbraw/zinc/73/07/76/396730776.db2.gz XFIVANVYIHHFKB-WFASDCNBSA-N 1 2 324.421 0.897 10 0 DCAELO COC(=O)C1CCN(C(=O)[C@H](C)[N@H+]2CCO[C@H](C3CC3)C2)CC1 ZINC000375346070 396730777 /nfs/dbraw/zinc/73/07/77/396730777.db2.gz XFIVANVYIHHFKB-WFASDCNBSA-N 1 2 324.421 0.897 10 0 DCAELO c1c([C@H]2COCC[NH2+]2)nnn1C[C@H]1COc2ccccc2O1 ZINC000630604380 397059640 /nfs/dbraw/zinc/05/96/40/397059640.db2.gz VZSJHRPWGFFOQG-WCQYABFASA-N 1 2 302.334 0.779 10 0 DCAELO CC1(C)C[C@@H](NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)C(C)(C)O1 ZINC000573156441 397139574 /nfs/dbraw/zinc/13/95/74/397139574.db2.gz GAFUMYLISFUGRZ-CYBMUJFWSA-N 1 2 323.437 0.755 10 0 DCAELO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1C[C@@H](F)C[C@@H]1CO ZINC000364623829 397228336 /nfs/dbraw/zinc/22/83/36/397228336.db2.gz OKLJHYLMFMOFGN-XQHKEYJVSA-N 1 2 315.389 0.796 10 0 DCAELO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1C[C@@H](F)C[C@@H]1CO ZINC000364623829 397228341 /nfs/dbraw/zinc/22/83/41/397228341.db2.gz OKLJHYLMFMOFGN-XQHKEYJVSA-N 1 2 315.389 0.796 10 0 DCAELO CS(=O)(=O)C1(C(=O)NCc2cn3c([nH+]2)CCCC3)CCC1 ZINC000574101320 397235990 /nfs/dbraw/zinc/23/59/90/397235990.db2.gz VTPYNYBAPXKXOW-UHFFFAOYSA-N 1 2 311.407 0.803 10 0 DCAELO C[C@H]1C[N@H+](CCNC(=O)Cn2ncc3ccccc32)CCO1 ZINC000593194806 397336815 /nfs/dbraw/zinc/33/68/15/397336815.db2.gz ARTGAMRUVDHAMK-ZDUSSCGKSA-N 1 2 302.378 0.873 10 0 DCAELO C[C@H]1C[N@@H+](CCNC(=O)Cn2ncc3ccccc32)CCO1 ZINC000593194806 397336820 /nfs/dbraw/zinc/33/68/20/397336820.db2.gz ARTGAMRUVDHAMK-ZDUSSCGKSA-N 1 2 302.378 0.873 10 0 DCAELO CC(=O)c1cccc(OC[C@H](O)C[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)c1 ZINC000593100566 397325957 /nfs/dbraw/zinc/32/59/57/397325957.db2.gz LCKGSTMBKZVVHE-FELRVUOQSA-N 1 2 323.414 0.834 10 0 DCAELO CC(=O)c1cccc(OC[C@H](O)C[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)c1 ZINC000593100566 397325963 /nfs/dbraw/zinc/32/59/63/397325963.db2.gz LCKGSTMBKZVVHE-FELRVUOQSA-N 1 2 323.414 0.834 10 0 DCAELO COC(=O)C1(CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CC1 ZINC000614445696 397439115 /nfs/dbraw/zinc/43/91/15/397439115.db2.gz HCPZBXWORGTYMG-GFCCVEGCSA-N 1 2 311.382 0.056 10 0 DCAELO COC(=O)CCCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000578896708 397501058 /nfs/dbraw/zinc/50/10/58/397501058.db2.gz XJSRLPJEWZAXTR-UHFFFAOYSA-N 1 2 304.306 0.342 10 0 DCAELO Cc1nnc(CN2CC[NH+]([C@@H](C)C(=O)NC(C)(C)C)CC2)[nH]1 ZINC000605422865 397665045 /nfs/dbraw/zinc/66/50/45/397665045.db2.gz YXMQLPJSQKDXIR-NSHDSACASA-N 1 2 308.430 0.534 10 0 DCAELO CN(CC(=O)Nc1ccc2[nH+]ccn2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000606533168 397683486 /nfs/dbraw/zinc/68/34/86/397683486.db2.gz JEQPEGREFVIJBF-GFCCVEGCSA-N 1 2 322.390 0.392 10 0 DCAELO Cc1nnc([C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)c2ccccc2)[nH]1 ZINC000081028725 158082382 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C[C@@H](C(=O)Nc1ncccn1)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000105898593 158132498 /nfs/dbraw/zinc/13/24/98/158132498.db2.gz BEIQXDZCGYTNBN-RYUDHWBXSA-N 1 2 301.354 0.732 10 0 DCAELO C[C@@H](C(=O)Nc1ncccn1)[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000105898593 158132500 /nfs/dbraw/zinc/13/25/00/158132500.db2.gz BEIQXDZCGYTNBN-RYUDHWBXSA-N 1 2 301.354 0.732 10 0 DCAELO CC(C)C[C@@H](NC(N)=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000120120302 158193478 /nfs/dbraw/zinc/19/34/78/158193478.db2.gz HWMXHBKQGWVKEZ-QWHCGFSZSA-N 1 2 319.409 0.860 10 0 DCAELO CNc1ncc(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)s1 ZINC000122661083 158222635 /nfs/dbraw/zinc/22/26/35/158222635.db2.gz QUJCFROPRSSCEF-QWRGUYRKSA-N 1 2 310.423 0.978 10 0 DCAELO O=C1CCN(C[C@H](O)C[NH+]2CCOCC2)c2ccc(F)cc2N1 ZINC000126895070 158269089 /nfs/dbraw/zinc/26/90/89/158269089.db2.gz NGKQRCKMPYDFPL-CYBMUJFWSA-N 1 2 323.368 0.667 10 0 DCAELO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1cnn2c1CCCC2 ZINC000128175507 158278989 /nfs/dbraw/zinc/27/89/89/158278989.db2.gz 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158399264 /nfs/dbraw/zinc/39/92/64/158399264.db2.gz DROZNNHNVAJSBI-KGLIPLIRSA-N 1 2 300.399 0.361 10 0 DCAELO CC(C)(C)C(=O)NCCC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172766749 158399444 /nfs/dbraw/zinc/39/94/44/158399444.db2.gz RJZCZCDZKCLYAT-ZDUSSCGKSA-N 1 2 311.426 0.472 10 0 DCAELO CC(C)n1nnnc1CN1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000328670216 159019360 /nfs/dbraw/zinc/01/93/60/159019360.db2.gz MMVMMCXTKRHBHB-UHFFFAOYSA-N 1 2 304.402 0.305 10 0 DCAELO Cc1nnc([C@H]2CCCC[N@@H+]2C[C@@H](O)CN2CCCC2=O)[nH]1 ZINC000328670492 159019550 /nfs/dbraw/zinc/01/95/50/159019550.db2.gz MQUCULRSTGNYMA-CHWSQXEVSA-N 1 2 307.398 0.623 10 0 DCAELO Cc1nnc([C@H]2CCCC[N@H+]2C[C@@H](O)CN2CCCC2=O)[nH]1 ZINC000328670492 159019552 /nfs/dbraw/zinc/01/95/52/159019552.db2.gz MQUCULRSTGNYMA-CHWSQXEVSA-N 1 2 307.398 0.623 10 0 DCAELO Cc1cc(CS(=O)(=O)NC[C@H](C)C[NH+]2CCOCC2)no1 ZINC000328830922 159033519 /nfs/dbraw/zinc/03/35/19/159033519.db2.gz KCYRNFNYKKEVLC-NSHDSACASA-N 1 2 317.411 0.371 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)CN3CCCCCCC3=O)C[C@H]21 ZINC000328872305 159035888 /nfs/dbraw/zinc/03/58/88/159035888.db2.gz DVFXKUAOIOCZRV-HUUCEWRRSA-N 1 2 323.437 0.711 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)CN3CCCCCCC3=O)C[C@H]21 ZINC000328872305 159035892 /nfs/dbraw/zinc/03/58/92/159035892.db2.gz DVFXKUAOIOCZRV-HUUCEWRRSA-N 1 2 323.437 0.711 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)CCOC[C@H]3CCCO3)C[C@@H]21 ZINC000328914431 159041024 /nfs/dbraw/zinc/04/10/24/159041024.db2.gz QEGMQEKWAWNOMG-QLFBSQMISA-N 1 2 312.410 0.504 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)CCOC[C@H]3CCCO3)C[C@@H]21 ZINC000328914431 159041026 /nfs/dbraw/zinc/04/10/26/159041026.db2.gz QEGMQEKWAWNOMG-QLFBSQMISA-N 1 2 312.410 0.504 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)CCOC[C@@H]3CCCO3)C[C@H]21 ZINC000328914433 159041085 /nfs/dbraw/zinc/04/10/85/159041085.db2.gz QEGMQEKWAWNOMG-RRFJBIMHSA-N 1 2 312.410 0.504 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)CCOC[C@@H]3CCCO3)C[C@H]21 ZINC000328914433 159041087 /nfs/dbraw/zinc/04/10/87/159041087.db2.gz QEGMQEKWAWNOMG-RRFJBIMHSA-N 1 2 312.410 0.504 10 0 DCAELO O=C(CSc1nnnn1C1CC1)N1CC[NH+](C2CC2)CC1 ZINC000329034342 159054303 /nfs/dbraw/zinc/05/43/03/159054303.db2.gz MKKNKNJYPWHZPR-UHFFFAOYSA-N 1 2 308.411 0.407 10 0 DCAELO CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000329850862 159123872 /nfs/dbraw/zinc/12/38/72/159123872.db2.gz ZZBWRZUAZNSELI-GJZGRUSLSA-N 1 2 309.410 0.321 10 0 DCAELO CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCO[C@H](C3CC3)C2)CC1 ZINC000330129722 159143990 /nfs/dbraw/zinc/14/39/90/159143990.db2.gz KDVMUPCVBLRMEV-WFASDCNBSA-N 1 2 309.410 0.176 10 0 DCAELO CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCO[C@H](C3CC3)C2)CC1 ZINC000330129722 159143991 /nfs/dbraw/zinc/14/39/91/159143991.db2.gz KDVMUPCVBLRMEV-WFASDCNBSA-N 1 2 309.410 0.176 10 0 DCAELO C[C@@H](CNC(=O)C[C@H]1CCCCC(=O)N1)[NH+]1CCN(C)CC1 ZINC000332736115 159211689 /nfs/dbraw/zinc/21/16/89/159211689.db2.gz WTEJLWDHMBSHMH-UONOGXRCSA-N 1 2 310.442 0.187 10 0 DCAELO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CCCNC(=O)[C@H]1C)CCC2 ZINC000332933823 159217055 /nfs/dbraw/zinc/21/70/55/159217055.db2.gz JOCZPXAMCPXAIC-CHWSQXEVSA-N 1 2 319.409 0.989 10 0 DCAELO C[N@@H+](CC(N)=O)C[C@H]1CN(Cc2ccc(Cl)cn2)CCO1 ZINC000367050339 159309275 /nfs/dbraw/zinc/30/92/75/159309275.db2.gz OGRXBSQCEMTYKQ-ZDUSSCGKSA-N 1 2 312.801 0.353 10 0 DCAELO C[N@H+](CC(N)=O)C[C@H]1CN(Cc2ccc(Cl)cn2)CCO1 ZINC000367050339 159309277 /nfs/dbraw/zinc/30/92/77/159309277.db2.gz OGRXBSQCEMTYKQ-ZDUSSCGKSA-N 1 2 312.801 0.353 10 0 DCAELO C[C@@H](C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)C1CCOCC1 ZINC000407997451 160007102 /nfs/dbraw/zinc/00/71/02/160007102.db2.gz WCZPCXWAKDDRNI-GFCCVEGCSA-N 1 2 311.426 0.457 10 0 DCAELO C[C@H](C[N@@H+]1CCOC[C@@H]1[C@H]1CCC[C@@H]1O)CS(C)(=O)=O ZINC000408041292 160020687 /nfs/dbraw/zinc/02/06/87/160020687.db2.gz GAKLGZSBDVWAJO-SYQHCUMBSA-N 1 2 305.440 0.529 10 0 DCAELO C[C@H](C[N@H+]1CCOC[C@@H]1[C@H]1CCC[C@@H]1O)CS(C)(=O)=O ZINC000408041292 160020691 /nfs/dbraw/zinc/02/06/91/160020691.db2.gz GAKLGZSBDVWAJO-SYQHCUMBSA-N 1 2 305.440 0.529 10 0 DCAELO C[C@@H]1C[C@@H](C(=O)N2CC[NH+](CCn3cncn3)CC2)C[C@H](C)O1 ZINC000408077609 160030991 /nfs/dbraw/zinc/03/09/91/160030991.db2.gz ZUIJXQACVAIKOC-QDMKHBRRSA-N 1 2 321.425 0.626 10 0 DCAELO Cc1ccc(S(=O)(=O)N2CC[NH+](CC(C)(C)O)CC2)o1 ZINC000408096444 160035010 /nfs/dbraw/zinc/03/50/10/160035010.db2.gz BYMHJHDPJMGRAJ-UHFFFAOYSA-N 1 2 302.396 0.665 10 0 DCAELO NC(=O)NCC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000408112761 160038872 /nfs/dbraw/zinc/03/88/72/160038872.db2.gz NMWXVWYFXFIEKU-UHFFFAOYSA-N 1 2 305.382 0.594 10 0 DCAELO COCC[N@@H+]1CCN(S(=O)(=O)N(C)CC(C)C)C[C@@H]1C ZINC000408135922 160045240 /nfs/dbraw/zinc/04/52/40/160045240.db2.gz ZXPVWHSNNUDVOI-ZDUSSCGKSA-N 1 2 307.460 0.472 10 0 DCAELO COCC[N@H+]1CCN(S(=O)(=O)N(C)CC(C)C)C[C@@H]1C ZINC000408135922 160045242 /nfs/dbraw/zinc/04/52/42/160045242.db2.gz ZXPVWHSNNUDVOI-ZDUSSCGKSA-N 1 2 307.460 0.472 10 0 DCAELO Cn1cc[nH+]c1CNC(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000408139809 160046234 /nfs/dbraw/zinc/04/62/34/160046234.db2.gz PJQJFQDBOMLJDI-CYBMUJFWSA-N 1 2 319.409 0.964 10 0 DCAELO CS(=O)(=O)CCCNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000408146191 160047526 /nfs/dbraw/zinc/04/75/26/160047526.db2.gz YHVCIXOYTJOPFP-LBPRGKRZSA-N 1 2 303.428 0.301 10 0 DCAELO CS(=O)(=O)CCCNC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000408146191 160047528 /nfs/dbraw/zinc/04/75/28/160047528.db2.gz YHVCIXOYTJOPFP-LBPRGKRZSA-N 1 2 303.428 0.301 10 0 DCAELO COCC[N@@H+]1CCN(S(=O)(=O)N2CCCC[C@H]2C)C[C@H]1C ZINC000408183779 160054122 /nfs/dbraw/zinc/05/41/22/160054122.db2.gz UEYFKARSQATKAY-ZIAGYGMSSA-N 1 2 319.471 0.758 10 0 DCAELO COCC[N@H+]1CCN(S(=O)(=O)N2CCCC[C@H]2C)C[C@H]1C ZINC000408183779 160054124 /nfs/dbraw/zinc/05/41/24/160054124.db2.gz UEYFKARSQATKAY-ZIAGYGMSSA-N 1 2 319.471 0.758 10 0 DCAELO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)[C@@H]2CCO[C@H](C)C2)CC1 ZINC000408191590 160056543 /nfs/dbraw/zinc/05/65/43/160056543.db2.gz HAKSGZDLCSJTCV-HZSPNIEDSA-N 1 2 320.455 0.272 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)[C@@H]2CCO[C@@H](C)C2)[C@@H](C)C1 ZINC000408192719 160056627 /nfs/dbraw/zinc/05/66/27/160056627.db2.gz OKPJRRZKHFUNKT-XDQVBPFNSA-N 1 2 320.455 0.271 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)[C@@H]2CCO[C@@H](C)C2)[C@@H](C)C1 ZINC000408192719 160056630 /nfs/dbraw/zinc/05/66/30/160056630.db2.gz OKPJRRZKHFUNKT-XDQVBPFNSA-N 1 2 320.455 0.271 10 0 DCAELO CNC(=O)N[C@H]1CC[N@@H+]([C@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000408257032 160070424 /nfs/dbraw/zinc/07/04/24/160070424.db2.gz NZSFUAYCAYHNQT-UWVGGRQHSA-N 1 2 322.331 0.543 10 0 DCAELO CNC(=O)N[C@H]1CC[N@H+]([C@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000408257032 160070425 /nfs/dbraw/zinc/07/04/25/160070425.db2.gz NZSFUAYCAYHNQT-UWVGGRQHSA-N 1 2 322.331 0.543 10 0 DCAELO CNC(=O)N[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)C1 ZINC000408258145 160070545 /nfs/dbraw/zinc/07/05/45/160070545.db2.gz VEJSPTJTZBLZGN-XJFOESAGSA-N 1 2 310.442 0.931 10 0 DCAELO CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)C1 ZINC000408258145 160070547 /nfs/dbraw/zinc/07/05/47/160070547.db2.gz VEJSPTJTZBLZGN-XJFOESAGSA-N 1 2 310.442 0.931 10 0 DCAELO CC(=O)N1CC[C@H](NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000408302995 160080192 /nfs/dbraw/zinc/08/01/92/160080192.db2.gz LHLROQQNIBBHMN-STQMWFEESA-N 1 2 305.382 0.920 10 0 DCAELO COC(=O)[C@H]1CC[C@H](C(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)CC1 ZINC000408405480 160101905 /nfs/dbraw/zinc/10/19/05/160101905.db2.gz MFIURNYDIYJZCX-AAVRWANBSA-N 1 2 310.394 0.507 10 0 DCAELO COC(=O)[C@H]1CC[C@H](C(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)CC1 ZINC000408405480 160101907 /nfs/dbraw/zinc/10/19/07/160101907.db2.gz MFIURNYDIYJZCX-AAVRWANBSA-N 1 2 310.394 0.507 10 0 DCAELO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCc1ncnn1C ZINC000408473567 160116475 /nfs/dbraw/zinc/11/64/75/160116475.db2.gz YMXFYJUJWQGXCE-VXGBXAGGSA-N 1 2 300.366 0.599 10 0 DCAELO C[C@H](NC(=O)[C@H](C)[NH+]1CCSCC1)C(=O)N1CCCCC1 ZINC000131977556 287002935 /nfs/dbraw/zinc/00/29/35/287002935.db2.gz VYQLGCUYXPRBQH-STQMWFEESA-N 1 2 313.467 0.941 10 0 DCAELO CCc1ccc(O)c(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000135574354 287023704 /nfs/dbraw/zinc/02/37/04/287023704.db2.gz DSCHTXYLLBEPQA-CYBMUJFWSA-N 1 2 308.378 0.378 10 0 DCAELO O=S1(=O)CCC[C@H]([NH2+]Cc2nc(Br)c[nH]2)C1 ZINC000380732880 685237556 /nfs/dbraw/zinc/23/75/56/685237556.db2.gz QQRKQJNMAWNOMF-ZETCQYMHSA-N 1 2 308.201 0.839 10 0 DCAELO OCCO[C@H]1CCCN(c2cc(N3CCC[C@@H]3CO)nc[nH+]2)C1 ZINC000265260181 415125811 /nfs/dbraw/zinc/12/58/11/415125811.db2.gz YFOWVUIBYSNGHV-KGLIPLIRSA-N 1 2 322.409 0.415 10 0 DCAELO OCCO[C@H]1CCCN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)C1 ZINC000265260181 415125812 /nfs/dbraw/zinc/12/58/12/415125812.db2.gz YFOWVUIBYSNGHV-KGLIPLIRSA-N 1 2 322.409 0.415 10 0 DCAELO CCCC(=O)NCC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000045912233 415256759 /nfs/dbraw/zinc/25/67/59/415256759.db2.gz NBNMPTLHQDBHEX-UHFFFAOYSA-N 1 2 320.393 0.451 10 0 DCAELO CCOCCNC(=O)C[N@H+](C)[C@H]1CCN(c2ccccc2)C1=O ZINC000084694612 415500707 /nfs/dbraw/zinc/50/07/07/415500707.db2.gz RINJRIYYCPEINT-HNNXBMFYSA-N 1 2 319.405 0.876 10 0 DCAELO CCOCCNC(=O)C[N@@H+](C)[C@H]1CCN(c2ccccc2)C1=O ZINC000084694612 415500714 /nfs/dbraw/zinc/50/07/14/415500714.db2.gz RINJRIYYCPEINT-HNNXBMFYSA-N 1 2 319.405 0.876 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCC3([S@@](C)=O)CC3)C[C@H]21 ZINC000332761544 415465022 /nfs/dbraw/zinc/46/50/22/415465022.db2.gz STTZADZCQGZGFI-JWCBKOKGSA-N 1 2 315.439 0.012 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCC3([S@@](C)=O)CC3)C[C@H]21 ZINC000332761544 415465030 /nfs/dbraw/zinc/46/50/30/415465030.db2.gz STTZADZCQGZGFI-JWCBKOKGSA-N 1 2 315.439 0.012 10 0 DCAELO Cc1nn(C)c(C)c1C(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000276623840 415477226 /nfs/dbraw/zinc/47/72/26/415477226.db2.gz KBBZESCLHYBOLD-ZDUSSCGKSA-N 1 2 316.409 0.899 10 0 DCAELO COCCN1CC[N@H+](C[C@@H](O)COc2ccc(C)cc2)CC1=O ZINC000091834661 415538836 /nfs/dbraw/zinc/53/88/36/415538836.db2.gz UWECKEVJWZAZPV-OAHLLOKOSA-N 1 2 322.405 0.525 10 0 DCAELO COCCN1CC[N@@H+](C[C@@H](O)COc2ccc(C)cc2)CC1=O ZINC000091834661 415538842 /nfs/dbraw/zinc/53/88/42/415538842.db2.gz UWECKEVJWZAZPV-OAHLLOKOSA-N 1 2 322.405 0.525 10 0 DCAELO Cn1nc2n(c1=O)CCN(c1nc(C3CC3)[nH+]c3c1CCC3)C2 ZINC000095980579 415567594 /nfs/dbraw/zinc/56/75/94/415567594.db2.gz BUAKFZOTUFKHAG-UHFFFAOYSA-N 1 2 312.377 0.758 10 0 DCAELO C[C@H](Cn1cncn1)NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000105216456 415632724 /nfs/dbraw/zinc/63/27/24/415632724.db2.gz WTDACQITTMYRIS-FRRDWIJNSA-N 1 2 310.402 0.075 10 0 DCAELO C[C@@H]1C[C@@H](S(=O)(=O)NCC[NH+]2CCSCC2)CCO1 ZINC000333452601 415651958 /nfs/dbraw/zinc/65/19/58/415651958.db2.gz SBPRCURSVMJJLT-NEPJUHHUSA-N 1 2 308.469 0.522 10 0 DCAELO COC(=O)NCCC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000107574074 415668258 /nfs/dbraw/zinc/66/82/58/415668258.db2.gz HIZISOXNSSPICQ-UHFFFAOYSA-N 1 2 303.322 0.630 10 0 DCAELO CC(C)CCO[C@H](C)C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000128083008 415894934 /nfs/dbraw/zinc/89/49/34/415894934.db2.gz REDKORLKLHQIIQ-ZIAGYGMSSA-N 1 2 302.415 0.247 10 0 DCAELO CC[C@@H](C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)N1CCCC1=O ZINC000173591344 416062295 /nfs/dbraw/zinc/06/22/95/416062295.db2.gz CMILBYORGOVMGS-KBPBESRZSA-N 1 2 309.410 0.367 10 0 DCAELO CC[C@@H](C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)N1CCCC1=O ZINC000173591344 416062298 /nfs/dbraw/zinc/06/22/98/416062298.db2.gz CMILBYORGOVMGS-KBPBESRZSA-N 1 2 309.410 0.367 10 0 DCAELO COc1ccc(CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cn1 ZINC000173767958 416063426 /nfs/dbraw/zinc/06/34/26/416063426.db2.gz VNWPMXZCUZLICO-CQSZACIVSA-N 1 2 320.393 0.706 10 0 DCAELO C[C@@H](CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)Cn1cccn1 ZINC000173788183 416065398 /nfs/dbraw/zinc/06/53/98/416065398.db2.gz DFGWBUUHHKIUCI-GJZGRUSLSA-N 1 2 321.425 0.635 10 0 DCAELO O=C(CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)N1CCCCC1 ZINC000173785081 416066059 /nfs/dbraw/zinc/06/60/59/416066059.db2.gz ZGFGALRPHZECHZ-AWEZNQCLSA-N 1 2 324.425 0.115 10 0 DCAELO C[C@@H]1CN(C(=O)c2cccc(C(N)=O)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000173971069 416070440 /nfs/dbraw/zinc/07/04/40/416070440.db2.gz NNDGEMGOYKPQBU-DOMZBBRYSA-N 1 2 317.389 0.578 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000170683596 416028914 /nfs/dbraw/zinc/02/89/14/416028914.db2.gz IYDMYFWOXGCCLA-LBPRGKRZSA-N 1 2 311.769 0.725 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000170683596 416028917 /nfs/dbraw/zinc/02/89/17/416028917.db2.gz IYDMYFWOXGCCLA-LBPRGKRZSA-N 1 2 311.769 0.725 10 0 DCAELO C[C@H]1C[N@@H+]([C@@H](CNC(=O)NCCO)c2cccs2)CCO1 ZINC000175053263 416096004 /nfs/dbraw/zinc/09/60/04/416096004.db2.gz KRHRGQHSPOMHQB-RYUDHWBXSA-N 1 2 313.423 0.801 10 0 DCAELO C[C@H]1C[N@H+]([C@@H](CNC(=O)NCCO)c2cccs2)CCO1 ZINC000175053263 416096006 /nfs/dbraw/zinc/09/60/06/416096006.db2.gz KRHRGQHSPOMHQB-RYUDHWBXSA-N 1 2 313.423 0.801 10 0 DCAELO CC(C)N1CC[C@@H](N2CCC[N@H+](Cc3cnn(C)c3)CC2)C1=O ZINC000175196225 416099524 /nfs/dbraw/zinc/09/95/24/416099524.db2.gz OAVDGHRGJPKWJO-MRXNPFEDSA-N 1 2 319.453 0.937 10 0 DCAELO CC(C)N1CC[C@@H](N2CCC[N@@H+](Cc3cnn(C)c3)CC2)C1=O ZINC000175196225 416099527 /nfs/dbraw/zinc/09/95/27/416099527.db2.gz OAVDGHRGJPKWJO-MRXNPFEDSA-N 1 2 319.453 0.937 10 0 DCAELO CC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@@](O)(CO)C2)cc1 ZINC000313630975 416108309 /nfs/dbraw/zinc/10/83/09/416108309.db2.gz PWHQOIRCSILKOT-INIZCTEOSA-N 1 2 306.362 0.647 10 0 DCAELO CC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@@](O)(CO)C2)cc1 ZINC000313630975 416108312 /nfs/dbraw/zinc/10/83/12/416108312.db2.gz PWHQOIRCSILKOT-INIZCTEOSA-N 1 2 306.362 0.647 10 0 DCAELO Cc1ccc(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c(C)n1 ZINC000176572710 416128948 /nfs/dbraw/zinc/12/89/48/416128948.db2.gz LFRHLDCOKINSIC-CQSZACIVSA-N 1 2 307.394 0.464 10 0 DCAELO COCCCS(=O)(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000176991431 416137487 /nfs/dbraw/zinc/13/74/87/416137487.db2.gz XAKZSTTZSASUKE-STQMWFEESA-N 1 2 306.428 0.005 10 0 DCAELO CC(C)=C(F)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000177679225 416150244 /nfs/dbraw/zinc/15/02/44/416150244.db2.gz CCMGNWIDPOQXMY-LBPRGKRZSA-N 1 2 313.373 0.299 10 0 DCAELO COCCN1C[C@H](C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)CC1=O ZINC000177759007 416151051 /nfs/dbraw/zinc/15/10/51/416151051.db2.gz NKXXXRHFVNTOEG-ZIAGYGMSSA-N 1 2 320.393 0.369 10 0 DCAELO CC(C)c1nnnn1CC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177764385 416151736 /nfs/dbraw/zinc/15/17/36/416151736.db2.gz ZAPJRXGHDWRIPR-GFCCVEGCSA-N 1 2 303.370 0.684 10 0 DCAELO O=C(Cc1c[nH]c2cc(F)ccc12)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178628039 416167220 /nfs/dbraw/zinc/16/72/20/416167220.db2.gz BZGHSQTXRWYQPE-CQSZACIVSA-N 1 2 316.380 0.966 10 0 DCAELO CNC(=O)[C@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C(C)C ZINC000178809951 416173773 /nfs/dbraw/zinc/17/37/73/416173773.db2.gz TZHRLTZCNRJIST-TZMCWYRMSA-N 1 2 319.409 0.730 10 0 DCAELO COC(=O)[C@@H](O)C1CC[NH+](Cc2nnc(C3CCC3)n2C)CC1 ZINC000181512013 416208202 /nfs/dbraw/zinc/20/82/02/416208202.db2.gz KEMALULSSMYYRB-AWEZNQCLSA-N 1 2 322.409 0.829 10 0 DCAELO CNC(=O)[C@H]1CN(C(=O)NCc2[nH+]ccn2CC(C)C)CCO1 ZINC000181643316 416209584 /nfs/dbraw/zinc/20/95/84/416209584.db2.gz FYHLSYIPQOFGNG-GFCCVEGCSA-N 1 2 323.397 0.196 10 0 DCAELO Cc1ccc(CN(CCO)C(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000182620347 416227836 /nfs/dbraw/zinc/22/78/36/416227836.db2.gz KJKISNCWFIDUFL-MRXNPFEDSA-N 1 2 321.421 0.830 10 0 DCAELO Cc1ccc(CN(CCO)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000182620347 416227840 /nfs/dbraw/zinc/22/78/40/416227840.db2.gz KJKISNCWFIDUFL-MRXNPFEDSA-N 1 2 321.421 0.830 10 0 DCAELO CC(C)S(=O)(=O)CCN1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000178214464 416159487 /nfs/dbraw/zinc/15/94/87/416159487.db2.gz UYCAFYUKLQDURF-CQSZACIVSA-N 1 2 318.483 0.995 10 0 DCAELO CC(C)S(=O)(=O)CCN1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000178214464 416159490 /nfs/dbraw/zinc/15/94/90/416159490.db2.gz UYCAFYUKLQDURF-CQSZACIVSA-N 1 2 318.483 0.995 10 0 DCAELO COC(=O)[C@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)C1CC1 ZINC000358809152 416276677 /nfs/dbraw/zinc/27/66/77/416276677.db2.gz JEEXSYOVWNECBB-HIFRSBDPSA-N 1 2 314.451 0.736 10 0 DCAELO Cc1cccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)n1 ZINC000193368288 416315431 /nfs/dbraw/zinc/31/54/31/416315431.db2.gz NCPDXDZAUBYQEP-ZDUSSCGKSA-N 1 2 318.377 0.262 10 0 DCAELO Cn1nnc(C[NH2+][C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)n1 ZINC000193494049 416317910 /nfs/dbraw/zinc/31/79/10/416317910.db2.gz WQFMLCIJCIIYMR-BXUZGUMPSA-N 1 2 320.784 0.925 10 0 DCAELO COCCCNC(=O)[C@H](C)[NH+]1CCN(Cc2cocn2)CC1 ZINC000191940496 416293818 /nfs/dbraw/zinc/29/38/18/416293818.db2.gz ORKUNNZFVUJDMG-ZDUSSCGKSA-N 1 2 310.398 0.333 10 0 DCAELO COC(=O)[C@@H](C1CC1)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000359587684 416351798 /nfs/dbraw/zinc/35/17/98/416351798.db2.gz FUZCROLFFWTEHF-BXUZGUMPSA-N 1 2 309.410 0.223 10 0 DCAELO CN1CCN(C(=O)NC[C@H]2CCCCO2)C[C@H]1c1[nH]cc[nH+]1 ZINC000583623256 416480433 /nfs/dbraw/zinc/48/04/33/416480433.db2.gz XLGNSZVGMQMLAM-OLZOCXBDSA-N 1 2 307.398 0.977 10 0 DCAELO O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CCSC[C@@H]1CCO ZINC000536647534 416547342 /nfs/dbraw/zinc/54/73/42/416547342.db2.gz SBRYRKYVDYBVEW-NSHDSACASA-N 1 2 319.390 0.602 10 0 DCAELO CCNC(=O)CN1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000435139957 416511197 /nfs/dbraw/zinc/51/11/97/416511197.db2.gz YNBGSYKXPPXQHK-UHFFFAOYSA-N 1 2 317.393 0.923 10 0 DCAELO CC[C@@H]1C[N@H+](C[C@H](C)CS(C)(=O)=O)C[C@@]2(CCOC2)O1 ZINC000373804201 416963193 /nfs/dbraw/zinc/96/31/93/416963193.db2.gz GZZKANDILGSBPV-BFHYXJOUSA-N 1 2 305.440 0.937 10 0 DCAELO CC[C@@H]1C[N@@H+](C[C@H](C)CS(C)(=O)=O)C[C@@]2(CCOC2)O1 ZINC000373804201 416963201 /nfs/dbraw/zinc/96/32/01/416963201.db2.gz GZZKANDILGSBPV-BFHYXJOUSA-N 1 2 305.440 0.937 10 0 DCAELO CCc1ncnc(NC[C@@]2([NH+]3CCOCC3)CCCOC2)c1F ZINC000371414474 416916222 /nfs/dbraw/zinc/91/62/22/416916222.db2.gz IEJSEVCKSMMRAI-INIZCTEOSA-N 1 2 324.400 1.471 10 0 DCAELO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@H]1CCCC12OCCO2 ZINC000376196823 417025852 /nfs/dbraw/zinc/02/58/52/417025852.db2.gz MSSPTGSLIFNVEX-QLFBSQMISA-N 1 2 324.421 0.851 10 0 DCAELO Nc1ncccc1[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccccc1 ZINC000616603085 417085601 /nfs/dbraw/zinc/08/56/01/417085601.db2.gz DQTGAROXIJUIOG-AWEZNQCLSA-N 1 2 318.402 0.999 10 0 DCAELO CC(=O)N[C@@H]1C[N@H+](CCNC(=O)OC(C)(C)C)CCCO1 ZINC000616681748 417092817 /nfs/dbraw/zinc/09/28/17/417092817.db2.gz VHOZMGXOGQKBAK-LBPRGKRZSA-N 1 2 301.387 0.696 10 0 DCAELO CC(=O)N[C@@H]1C[N@@H+](CCNC(=O)OC(C)(C)C)CCCO1 ZINC000616681748 417092826 /nfs/dbraw/zinc/09/28/26/417092826.db2.gz VHOZMGXOGQKBAK-LBPRGKRZSA-N 1 2 301.387 0.696 10 0 DCAELO COC[C@]1(C(N)=O)CCC[N@@H+]1Cc1cc2c(c(OC)c1)OCO2 ZINC000643763119 417340675 /nfs/dbraw/zinc/34/06/75/417340675.db2.gz SYGIDUNTVLTERL-INIZCTEOSA-N 1 2 322.361 0.890 10 0 DCAELO COC[C@]1(C(N)=O)CCC[N@H+]1Cc1cc2c(c(OC)c1)OCO2 ZINC000643763119 417340683 /nfs/dbraw/zinc/34/06/83/417340683.db2.gz SYGIDUNTVLTERL-INIZCTEOSA-N 1 2 322.361 0.890 10 0 DCAELO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2c2ccc(=O)[nH]n2)C[C@@H](C)O1 ZINC000528792908 417392693 /nfs/dbraw/zinc/39/26/93/417392693.db2.gz WDZBXDQVLXNBHO-BZPMIXESSA-N 1 2 320.393 0.955 10 0 DCAELO C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2c2ccc(=O)[nH]n2)C[C@@H](C)O1 ZINC000528792908 417392700 /nfs/dbraw/zinc/39/27/00/417392700.db2.gz WDZBXDQVLXNBHO-BZPMIXESSA-N 1 2 320.393 0.955 10 0 DCAELO CC(=O)c1ccc(NC(=O)CC[N@@H+]2C[C@H](O)C[C@H]2C(N)=O)cc1 ZINC000528637070 417371600 /nfs/dbraw/zinc/37/16/00/417371600.db2.gz TXZRSTGWIVKTSN-KGLIPLIRSA-N 1 2 319.361 0.138 10 0 DCAELO CC(=O)c1ccc(NC(=O)CC[N@H+]2C[C@H](O)C[C@H]2C(N)=O)cc1 ZINC000528637070 417371606 /nfs/dbraw/zinc/37/16/06/417371606.db2.gz TXZRSTGWIVKTSN-KGLIPLIRSA-N 1 2 319.361 0.138 10 0 DCAELO O=S(=O)(NCc1ccc(Cn2cc[nH+]c2)cc1)C1COC1 ZINC000530359416 417571558 /nfs/dbraw/zinc/57/15/58/417571558.db2.gz OZBRNSCEPXDOEE-UHFFFAOYSA-N 1 2 307.375 0.750 10 0 DCAELO COc1ccc(F)c(NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2C)c1 ZINC000440288412 287397432 /nfs/dbraw/zinc/39/74/32/287397432.db2.gz YDSNTPZREWNVKE-SNVBAGLBSA-N 1 2 309.341 0.935 10 0 DCAELO COc1ccc(F)c(NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2C)c1 ZINC000440288412 287397434 /nfs/dbraw/zinc/39/74/34/287397434.db2.gz YDSNTPZREWNVKE-SNVBAGLBSA-N 1 2 309.341 0.935 10 0 DCAELO COc1cccc(C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)c1F ZINC000192955053 545930150 /nfs/dbraw/zinc/93/01/50/545930150.db2.gz LMJJXPDTEXFUMB-NSHDSACASA-N 1 2 302.371 0.958 10 0 DCAELO CC(=O)N1CCOC[C@@H]1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000362709013 262064184 /nfs/dbraw/zinc/06/41/84/262064184.db2.gz YDTUTDXKUPYWGJ-CYBMUJFWSA-N 1 2 302.334 0.198 10 0 DCAELO COc1ccccc1CNC(=O)C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000363796596 262131458 /nfs/dbraw/zinc/13/14/58/262131458.db2.gz RVAAUBWULNPEFK-HNNXBMFYSA-N 1 2 319.405 0.328 10 0 DCAELO COc1ccccc1CNC(=O)C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000363796596 262131462 /nfs/dbraw/zinc/13/14/62/262131462.db2.gz RVAAUBWULNPEFK-HNNXBMFYSA-N 1 2 319.405 0.328 10 0 DCAELO CO[C@]1(CNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CCOC1 ZINC000514899320 287646831 /nfs/dbraw/zinc/64/68/31/287646831.db2.gz URFKCXGOCMBULX-HNNXBMFYSA-N 1 2 318.333 0.195 10 0 DCAELO COC(=O)c1ccccc1OCC[N@H+](C)Cc1nnnn1C ZINC000360029004 271160726 /nfs/dbraw/zinc/16/07/26/271160726.db2.gz ZBJCKLYVJGBZQJ-UHFFFAOYSA-N 1 2 305.338 0.508 10 0 DCAELO COC(=O)c1ccccc1OCC[N@@H+](C)Cc1nnnn1C ZINC000360029004 271160730 /nfs/dbraw/zinc/16/07/30/271160730.db2.gz ZBJCKLYVJGBZQJ-UHFFFAOYSA-N 1 2 305.338 0.508 10 0 DCAELO COc1ccc(CC(=O)N2CCN(C)[C@@H](c3[nH]cc[nH+]3)C2)nc1 ZINC000363750059 271202155 /nfs/dbraw/zinc/20/21/55/271202155.db2.gz JHSFTSHDMHVSLW-CQSZACIVSA-N 1 2 315.377 0.871 10 0 DCAELO C[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H](CO)c1ccccc1 ZINC000489212452 272058974 /nfs/dbraw/zinc/05/89/74/272058974.db2.gz YYKZYBBGQJDRBF-ZBFHGGJFSA-N 1 2 321.421 0.782 10 0 DCAELO C[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@@H](CO)c1ccccc1 ZINC000489212452 272058976 /nfs/dbraw/zinc/05/89/76/272058976.db2.gz YYKZYBBGQJDRBF-ZBFHGGJFSA-N 1 2 321.421 0.782 10 0 DCAELO COC(=O)C(C)(C)N1CC[NH+](CC(=O)NC2CCCC2)CC1 ZINC000494408744 272221666 /nfs/dbraw/zinc/22/16/66/272221666.db2.gz AMXITXCMHUNSEL-UHFFFAOYSA-N 1 2 311.426 0.614 10 0 DCAELO CC(C)N(C)S(=O)(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000173893410 279385969 /nfs/dbraw/zinc/38/59/69/279385969.db2.gz ONQGCCBUTDLSHV-CQSZACIVSA-N 1 2 319.471 0.758 10 0 DCAELO O=C(NC[C@@H]1CCC[C@@H](O)C1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000552743949 288280016 /nfs/dbraw/zinc/28/00/16/288280016.db2.gz NPYDPSZLGBKGNJ-DGCLKSJQSA-N 1 2 316.361 0.940 10 0 DCAELO CN(C)C(=O)CCCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000560990252 288522985 /nfs/dbraw/zinc/52/29/85/288522985.db2.gz YLDUIXYXGJVHEL-UHFFFAOYSA-N 1 2 317.349 0.257 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCCc4c[nH]nc43)C[C@@H]21 ZINC000285532468 290081538 /nfs/dbraw/zinc/08/15/38/290081538.db2.gz NSYGEMAVVPSXES-HZSPNIEDSA-N 1 2 319.409 0.902 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCCc4c[nH]nc43)C[C@@H]21 ZINC000285532468 290081540 /nfs/dbraw/zinc/08/15/40/290081540.db2.gz NSYGEMAVVPSXES-HZSPNIEDSA-N 1 2 319.409 0.902 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccc4c3OCO4)C[C@@H]21 ZINC000328864503 290113307 /nfs/dbraw/zinc/11/33/07/290113307.db2.gz GCVBOBYMEZVIPW-STQMWFEESA-N 1 2 304.346 0.960 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)c3cccc4c3OCO4)C[C@@H]21 ZINC000328864503 290113308 /nfs/dbraw/zinc/11/33/08/290113308.db2.gz GCVBOBYMEZVIPW-STQMWFEESA-N 1 2 304.346 0.960 10 0 DCAELO COc1ccccc1C(=O)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000187304206 533961819 /nfs/dbraw/zinc/96/18/19/533961819.db2.gz JDCQDHOPTBOXPC-LBPRGKRZSA-N 1 2 306.362 0.403 10 0 DCAELO COc1ccccc1C(=O)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000187304206 533961828 /nfs/dbraw/zinc/96/18/28/533961828.db2.gz JDCQDHOPTBOXPC-LBPRGKRZSA-N 1 2 306.362 0.403 10 0 DCAELO C[C@H]1C[N@@H+]([C@H](C(=O)N(C)C)c2ccccc2)CCN1CCO ZINC000187661790 533975406 /nfs/dbraw/zinc/97/54/06/533975406.db2.gz VBQITSUSLPCIAM-HOCLYGCPSA-N 1 2 305.422 0.814 10 0 DCAELO C[C@H]1C[N@H+]([C@H](C(=O)N(C)C)c2ccccc2)CCN1CCO ZINC000187661790 533975413 /nfs/dbraw/zinc/97/54/13/533975413.db2.gz VBQITSUSLPCIAM-HOCLYGCPSA-N 1 2 305.422 0.814 10 0 DCAELO C[C@@](O)(Cn1ccccc1=O)C(=O)NCCCn1cc[nH+]c1 ZINC000447903500 518181272 /nfs/dbraw/zinc/18/12/72/518181272.db2.gz NIJNSKSRGQGBKJ-OAHLLOKOSA-N 1 2 304.350 0.002 10 0 DCAELO CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247102083 519772225 /nfs/dbraw/zinc/77/22/25/519772225.db2.gz MSBXGJHZBWERKV-CHWSQXEVSA-N 1 2 319.471 0.503 10 0 DCAELO CC(C)C[C@@H](C)N(C)C(=O)C[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247102083 519772228 /nfs/dbraw/zinc/77/22/28/519772228.db2.gz MSBXGJHZBWERKV-CHWSQXEVSA-N 1 2 319.471 0.503 10 0 DCAELO CC(C)[C@@H](O)CNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000157063087 519800793 /nfs/dbraw/zinc/80/07/93/519800793.db2.gz NAPBGRXLDGSAHS-AWEZNQCLSA-N 1 2 316.361 0.944 10 0 DCAELO CC(C)[C@H](O)CC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000157167524 519822721 /nfs/dbraw/zinc/82/27/21/519822721.db2.gz GFHORJFSMQCJGT-UKRRQHHQSA-N 1 2 316.467 0.718 10 0 DCAELO CC(C)c1nc2n(n1)C[C@H](NC(=O)NCCn1cc[nH+]c1)CC2 ZINC000154828400 519871789 /nfs/dbraw/zinc/87/17/89/519871789.db2.gz VGVDCDUCCUIAMV-GFCCVEGCSA-N 1 2 317.397 0.912 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)Nc2cccc(-n3ccnn3)c2)C1 ZINC000130226999 523938199 /nfs/dbraw/zinc/93/81/99/523938199.db2.gz KKSLOLZLILYAKJ-AWEZNQCLSA-N 1 2 316.365 0.719 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)Nc2cccc(-n3ccnn3)c2)C1 ZINC000130226999 523938202 /nfs/dbraw/zinc/93/82/02/523938202.db2.gz KKSLOLZLILYAKJ-AWEZNQCLSA-N 1 2 316.365 0.719 10 0 DCAELO CNC(=O)CC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000189166894 524053776 /nfs/dbraw/zinc/05/37/76/524053776.db2.gz QVGATLCXQVRYMJ-UHFFFAOYSA-N 1 2 309.797 0.950 10 0 DCAELO CNC(=O)CC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000189166894 524053779 /nfs/dbraw/zinc/05/37/79/524053779.db2.gz QVGATLCXQVRYMJ-UHFFFAOYSA-N 1 2 309.797 0.950 10 0 DCAELO C[C@H](CNC(=O)Cc1c[nH]c2ncccc12)[NH+]1CCOCC1 ZINC000155822677 524390157 /nfs/dbraw/zinc/39/01/57/524390157.db2.gz QCQVKHITQVHATQ-GFCCVEGCSA-N 1 2 302.378 0.942 10 0 DCAELO Cc1ccc(CNC(=O)C[N@@H+]2CCN3CCOC[C@H]3C2)cc1F ZINC000368826705 524504916 /nfs/dbraw/zinc/50/49/16/524504916.db2.gz SBDWSZAPTSSFSM-OAHLLOKOSA-N 1 2 321.396 0.767 10 0 DCAELO Cc1ccc(CNC(=O)C[N@H+]2CCN3CCOC[C@H]3C2)cc1F ZINC000368826705 524504926 /nfs/dbraw/zinc/50/49/26/524504926.db2.gz SBDWSZAPTSSFSM-OAHLLOKOSA-N 1 2 321.396 0.767 10 0 DCAELO O=C(NC1C[NH+](C[C@@H](O)COc2ccc(F)cc2)C1)C1CC1 ZINC000187977584 527543387 /nfs/dbraw/zinc/54/33/87/527543387.db2.gz XZDXWZPRZBFSOL-CQSZACIVSA-N 1 2 308.353 0.776 10 0 DCAELO COC(=O)c1cc(C)cc(C(=O)NCC[NH+]2CCOCC2)c1 ZINC000457379280 536880981 /nfs/dbraw/zinc/88/09/81/536880981.db2.gz FKPMSHBQKBNTOD-UHFFFAOYSA-N 1 2 306.362 0.844 10 0 DCAELO Cn1cc(-c2ncc(C(=O)NC[C@H]3C[N@H+](C)CCO3)s2)cn1 ZINC000112195853 545734956 /nfs/dbraw/zinc/73/49/56/545734956.db2.gz AKGCKHFKZNYMQO-NSHDSACASA-N 1 2 321.406 0.604 10 0 DCAELO Cn1cc(-c2ncc(C(=O)NC[C@H]3C[N@@H+](C)CCO3)s2)cn1 ZINC000112195853 545734960 /nfs/dbraw/zinc/73/49/60/545734960.db2.gz AKGCKHFKZNYMQO-NSHDSACASA-N 1 2 321.406 0.604 10 0 DCAELO O=C(COC[C@H]1CCOC1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000117745913 545736389 /nfs/dbraw/zinc/73/63/89/545736389.db2.gz RGRZOJYSJLTGKZ-INIZCTEOSA-N 1 2 319.405 0.779 10 0 DCAELO CC(=O)[C@@H]1C[C@H](C(=O)NC[C@H](O)C[NH+]2CCOCC2)C1(C)C ZINC000127421736 545776036 /nfs/dbraw/zinc/77/60/36/545776036.db2.gz VPVCZYPMIIQAGO-MELADBBJSA-N 1 2 312.410 0.047 10 0 DCAELO CNC(=O)[C@@H]1CCCN1C(=O)NCCCNc1cccc[nH+]1 ZINC000156071763 545846187 /nfs/dbraw/zinc/84/61/87/545846187.db2.gz KBBWTRXFFCQVLT-LBPRGKRZSA-N 1 2 305.382 0.804 10 0 DCAELO Cn1cnnc1[C@@H]1CCC[N@@H+]1CCn1nc2ccccn2c1=O ZINC000156596628 545848288 /nfs/dbraw/zinc/84/82/88/545848288.db2.gz IRDNEDHSLAHTEU-LBPRGKRZSA-N 1 2 313.365 0.462 10 0 DCAELO Cn1cnnc1[C@@H]1CCC[N@H+]1CCn1nc2ccccn2c1=O ZINC000156596628 545848294 /nfs/dbraw/zinc/84/82/94/545848294.db2.gz IRDNEDHSLAHTEU-LBPRGKRZSA-N 1 2 313.365 0.462 10 0 DCAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1ccc2ncccc2c1 ZINC000178632244 545896237 /nfs/dbraw/zinc/89/62/37/545896237.db2.gz MQQWDIIDLIFHOO-OAHLLOKOSA-N 1 2 315.373 0.658 10 0 DCAELO COc1cccc(C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)c1F ZINC000192955053 545930147 /nfs/dbraw/zinc/93/01/47/545930147.db2.gz LMJJXPDTEXFUMB-NSHDSACASA-N 1 2 302.371 0.958 10 0 DCAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1coc(C2CCC2)n1 ZINC000195415601 545934129 /nfs/dbraw/zinc/93/41/29/545934129.db2.gz XLYCZVOPPSRXCD-GFCCVEGCSA-N 1 2 309.366 0.365 10 0 DCAELO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000332885881 546065297 /nfs/dbraw/zinc/06/52/97/546065297.db2.gz GQPZZTUAWNURNF-UONOGXRCSA-N 1 2 307.398 0.388 10 0 DCAELO CCCS(=O)(=O)CCN1CC[N@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000247212944 658714436 /nfs/dbraw/zinc/71/44/36/658714436.db2.gz PYQKJXUATBQLIT-KGLIPLIRSA-N 1 2 306.472 0.588 10 0 DCAELO CCCS(=O)(=O)CCN1CC[N@@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000247212944 658714440 /nfs/dbraw/zinc/71/44/40/658714440.db2.gz PYQKJXUATBQLIT-KGLIPLIRSA-N 1 2 306.472 0.588 10 0 DCAELO O=C(N[C@H]1CCCN(c2ncccn2)C1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263086874 662627092 /nfs/dbraw/zinc/62/70/92/662627092.db2.gz YBJWEQZEBPTAQK-QWRGUYRKSA-N 1 2 311.336 0.559 10 0 DCAELO CN(C[C@@H]1CCn2cc[nH+]c2C1)C(=O)c1cccn2nnnc12 ZINC000897473048 662769887 /nfs/dbraw/zinc/76/98/87/662769887.db2.gz QJUWFBQDLXRKHP-LLVKDONJSA-N 1 2 311.349 0.655 10 0 DCAELO CC[S@](=O)CCNC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000735090356 666949664 /nfs/dbraw/zinc/94/96/64/666949664.db2.gz PSVSFVPURYTUAI-ASSNKEHSSA-N 1 2 319.471 0.411 10 0 DCAELO Cc1ccc(C[NH+]2CCN([C@]3(C(N)=O)CCOC3)CC2)cc1F ZINC000886026673 667725503 /nfs/dbraw/zinc/72/55/03/667725503.db2.gz GBKRTZRAOCUXFY-QGZVFWFLSA-N 1 2 321.396 0.896 10 0 DCAELO Cn1cc([C@@H]2CC[N@H+](CN3C(=O)N[C@@](C)(C4CC4)C3=O)C2)cn1 ZINC000246966120 685168210 /nfs/dbraw/zinc/16/82/10/685168210.db2.gz JZABDWKBWCVVSD-BZNIZROVSA-N 1 2 317.393 0.887 10 0 DCAELO Cn1cc([C@@H]2CC[N@@H+](CN3C(=O)N[C@@](C)(C4CC4)C3=O)C2)cn1 ZINC000246966120 685168212 /nfs/dbraw/zinc/16/82/12/685168212.db2.gz JZABDWKBWCVVSD-BZNIZROVSA-N 1 2 317.393 0.887 10 0 DCAELO CCCS(=O)(=O)CCN1CC[N@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000247212949 685170361 /nfs/dbraw/zinc/17/03/61/685170361.db2.gz PYQKJXUATBQLIT-UONOGXRCSA-N 1 2 306.472 0.588 10 0 DCAELO CCCS(=O)(=O)CCN1CC[N@@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000247212949 685170364 /nfs/dbraw/zinc/17/03/64/685170364.db2.gz PYQKJXUATBQLIT-UONOGXRCSA-N 1 2 306.472 0.588 10 0 DCAELO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)c1cnc(N)nc1 ZINC000251774533 685185681 /nfs/dbraw/zinc/18/56/81/685185681.db2.gz MOXLEWXTNLGGSQ-MNOVXSKESA-N 1 2 311.411 0.306 10 0 DCAELO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)c1cnc(N)nc1 ZINC000251774533 685185684 /nfs/dbraw/zinc/18/56/84/685185684.db2.gz MOXLEWXTNLGGSQ-MNOVXSKESA-N 1 2 311.411 0.306 10 0 DCAELO CC(C)(C)[N@@H+]1CC[C@H](C[NH2+]CCS(=O)(=O)CC(=O)[O-])C1 ZINC000693003114 968922065 /nfs/dbraw/zinc/92/20/65/968922065.db2.gz BZTXWFGKHHFMHD-LLVKDONJSA-N 1 2 306.428 0.196 10 0 DCAELO 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/nfs/dbraw/zinc/78/83/33/529788333.db2.gz RSDOMXSJPNDCSR-ZDUSSCGKSA-N 1 2 307.398 0.307 10 0 DCAELO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)CCc2nc[nH]n2)C1 ZINC000328644113 529788335 /nfs/dbraw/zinc/78/83/35/529788335.db2.gz RSDOMXSJPNDCSR-ZDUSSCGKSA-N 1 2 307.398 0.307 10 0 DCAELO CNC(=O)[C@@H](NC(=O)NCCc1cn2ccccc2[nH+]1)C(C)C ZINC000178422979 529896885 /nfs/dbraw/zinc/89/68/85/529896885.db2.gz JRNVHWSQYOEYGW-AWEZNQCLSA-N 1 2 317.393 0.947 10 0 DCAELO O=C(NCC[NH+]1CCOCC1)c1cnn(CCC(F)(F)F)c1 ZINC000181684792 199338099 /nfs/dbraw/zinc/33/80/99/199338099.db2.gz CEDWAXULPCEDJR-UHFFFAOYSA-N 1 2 320.315 0.898 10 0 DCAELO COc1cccc([C@@H]2C[N@H+](CCCS(N)(=O)=O)CCO2)c1 ZINC000177909810 186202748 /nfs/dbraw/zinc/20/27/48/186202748.db2.gz KEEBLXVGHZUDEE-AWEZNQCLSA-N 1 2 314.407 0.747 10 0 DCAELO COc1cccc([C@@H]2C[N@@H+](CCCS(N)(=O)=O)CCO2)c1 ZINC000177909810 186202750 /nfs/dbraw/zinc/20/27/50/186202750.db2.gz KEEBLXVGHZUDEE-AWEZNQCLSA-N 1 2 314.407 0.747 10 0 DCAELO 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/nfs/dbraw/zinc/04/14/59/285041459.db2.gz QCHHTGYDTSNTHB-SEBNEYGDSA-N 1 2 314.451 0.958 10 0 DCAELO O=C([C@H]1CN(Cc2ccoc2)Cc2c[nH+]cn21)N1CCOCC1 ZINC000247804953 257118166 /nfs/dbraw/zinc/11/81/66/257118166.db2.gz AEBSIFZEQYMTLG-OAHLLOKOSA-N 1 2 316.361 0.892 10 0 DCAELO C[C@@H](O)C1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000172581766 533580398 /nfs/dbraw/zinc/58/03/98/533580398.db2.gz OPVFEKBZUJBMET-CYBMUJFWSA-N 1 2 313.442 0.900 10 0 DCAELO C[C@@H](O)C1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000172581766 533580403 /nfs/dbraw/zinc/58/04/03/533580403.db2.gz OPVFEKBZUJBMET-CYBMUJFWSA-N 1 2 313.442 0.900 10 0 DCAELO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000283828753 131027228 /nfs/dbraw/zinc/02/72/28/131027228.db2.gz FARPWTNWZKJYRT-RDBSUJKOSA-N 1 2 307.398 0.386 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3ccc4c(c3)OCO4)C[C@H]21 ZINC000284091696 131048256 /nfs/dbraw/zinc/04/82/56/131048256.db2.gz NAVILKNXNUVLRG-ZIAGYGMSSA-N 1 2 318.373 0.889 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3ccc4c(c3)OCO4)C[C@H]21 ZINC000284091696 131048258 /nfs/dbraw/zinc/04/82/58/131048258.db2.gz NAVILKNXNUVLRG-ZIAGYGMSSA-N 1 2 318.373 0.889 10 0 DCAELO COc1ccc(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)c(O)c1 ZINC000284653476 131100760 /nfs/dbraw/zinc/10/07/60/131100760.db2.gz WIHKFCCGFYFBEO-UKRRQHHQSA-N 1 2 306.362 0.946 10 0 DCAELO COc1ccc(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)c(O)c1 ZINC000284653476 131100761 /nfs/dbraw/zinc/10/07/61/131100761.db2.gz WIHKFCCGFYFBEO-UKRRQHHQSA-N 1 2 306.362 0.946 10 0 DCAELO COc1ccnc(C[N@@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)c1 ZINC000285503832 131174930 /nfs/dbraw/zinc/17/49/30/131174930.db2.gz FNFFUZLGVGFGRA-CQSZACIVSA-N 1 2 313.423 0.946 10 0 DCAELO COc1ccnc(C[N@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)c1 ZINC000285503832 131174932 /nfs/dbraw/zinc/17/49/32/131174932.db2.gz FNFFUZLGVGFGRA-CQSZACIVSA-N 1 2 313.423 0.946 10 0 DCAELO COc1cc[nH+]c(CN2CCC[C@@H](S(=O)(=O)N(C)C)C2)c1 ZINC000285503832 131174933 /nfs/dbraw/zinc/17/49/33/131174933.db2.gz FNFFUZLGVGFGRA-CQSZACIVSA-N 1 2 313.423 0.946 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)C1 ZINC000121494389 132155785 /nfs/dbraw/zinc/15/57/85/132155785.db2.gz BCNBCQFPWLSHGN-IIAWOOMASA-N 1 2 311.426 0.654 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)C1 ZINC000121494389 132155787 /nfs/dbraw/zinc/15/57/87/132155787.db2.gz BCNBCQFPWLSHGN-IIAWOOMASA-N 1 2 311.426 0.654 10 0 DCAELO Cc1cccc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCOCC2)c1 ZINC000041600498 395738060 /nfs/dbraw/zinc/73/80/60/395738060.db2.gz OVTRFMPUNXXRQF-ZDUSSCGKSA-N 1 2 305.378 0.770 10 0 DCAELO Cn1c[nH+]c2c1CCN(CC(=O)N1CCO[C@@H]3CCCC[C@H]31)C2 ZINC000106667455 395783388 /nfs/dbraw/zinc/78/33/88/395783388.db2.gz UPIJYPJXNRRKOL-HZPDHXFCSA-N 1 2 318.421 0.948 10 0 DCAELO COCCN(CC(F)F)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000103603213 395774882 /nfs/dbraw/zinc/77/48/82/395774882.db2.gz ZWZQKKDWPUQAHA-NSHDSACASA-N 1 2 309.357 0.630 10 0 DCAELO COc1ccc(OCCC(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000194631918 395802630 /nfs/dbraw/zinc/80/26/30/395802630.db2.gz OTSXPSXKPZQDEY-OAHLLOKOSA-N 1 2 308.378 0.911 10 0 DCAELO COc1ccc(OCCC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000194631918 395802634 /nfs/dbraw/zinc/80/26/34/395802634.db2.gz OTSXPSXKPZQDEY-OAHLLOKOSA-N 1 2 308.378 0.911 10 0 DCAELO Cn1c2ccc(C[N@@H+]3CCN4C(=O)NC[C@H]4C3)cc2sc1=O ZINC000195042804 395814481 /nfs/dbraw/zinc/81/44/81/395814481.db2.gz DGIMKUQUKBZITK-NSHDSACASA-N 1 2 318.402 0.809 10 0 DCAELO Cn1c2ccc(C[N@H+]3CCN4C(=O)NC[C@H]4C3)cc2sc1=O ZINC000195042804 395814484 /nfs/dbraw/zinc/81/44/84/395814484.db2.gz DGIMKUQUKBZITK-NSHDSACASA-N 1 2 318.402 0.809 10 0 DCAELO Cc1ccccc1[C@@H](O)CNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000112391112 395817318 /nfs/dbraw/zinc/81/73/18/395817318.db2.gz SFVWMXXQJXJMOD-ZFWWWQNUSA-N 1 2 307.394 0.658 10 0 DCAELO Cc1ccccc1[C@@H](O)CNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000112391112 395817321 /nfs/dbraw/zinc/81/73/21/395817321.db2.gz SFVWMXXQJXJMOD-ZFWWWQNUSA-N 1 2 307.394 0.658 10 0 DCAELO O=C(N[C@@H]1CCc2ncnn2C1)c1ccnc(-n2cc[nH+]c2)c1 ZINC000112647067 395820233 /nfs/dbraw/zinc/82/02/33/395820233.db2.gz MFEUHLZSRZLVLG-GFCCVEGCSA-N 1 2 309.333 0.604 10 0 DCAELO Cc1ccc(C)c(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000118115903 395860069 /nfs/dbraw/zinc/86/00/69/395860069.db2.gz WVYRHDJQDXHBFO-ZDUSSCGKSA-N 1 2 305.378 0.689 10 0 DCAELO Cc1ccc(C)c(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000118115903 395860072 /nfs/dbraw/zinc/86/00/72/395860072.db2.gz WVYRHDJQDXHBFO-ZDUSSCGKSA-N 1 2 305.378 0.689 10 0 DCAELO CN1C(=O)c2ccc(C(=O)N3CC[NH+](C4CC4)CC3)cc2C1=O ZINC000124794903 395901709 /nfs/dbraw/zinc/90/17/09/395901709.db2.gz QJWDEWMTQUOSOJ-UHFFFAOYSA-N 1 2 313.357 0.833 10 0 DCAELO C[N@@H+]1CCc2ncnc(N3CC[C@@H](NC(=O)NC4CC4)C3)c2C1 ZINC000273572097 395931428 /nfs/dbraw/zinc/93/14/28/395931428.db2.gz AISWECYEKSANDI-GFCCVEGCSA-N 1 2 316.409 0.505 10 0 DCAELO C[N@H+]1CCc2ncnc(N3CC[C@@H](NC(=O)NC4CC4)C3)c2C1 ZINC000273572097 395931432 /nfs/dbraw/zinc/93/14/32/395931432.db2.gz AISWECYEKSANDI-GFCCVEGCSA-N 1 2 316.409 0.505 10 0 DCAELO CC[C@@H](CO)[NH+]1CCN(CC(=O)NOCc2ccccc2)CC1 ZINC000119445166 395870818 /nfs/dbraw/zinc/87/08/18/395870818.db2.gz STLDOWVBFDQPJH-INIZCTEOSA-N 1 2 321.421 0.623 10 0 DCAELO COc1c(CN2CC[NH+](CC(=O)NC(C)C)CC2)c(C)nn1C ZINC000119593555 395872896 /nfs/dbraw/zinc/87/28/96/395872896.db2.gz HJZTZZVHPOFZGO-UHFFFAOYSA-N 1 2 323.441 0.379 10 0 DCAELO CN(C)c1ccccc1NC(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000119873820 395878316 /nfs/dbraw/zinc/87/83/16/395878316.db2.gz ZKDQULBLMMAGJD-CYBMUJFWSA-N 1 2 322.409 0.567 10 0 DCAELO COCCCOCCN(C)c1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000245596619 395932141 /nfs/dbraw/zinc/93/21/41/395932141.db2.gz NITCQMNWFYLSIN-AWEZNQCLSA-N 1 2 324.425 0.927 10 0 DCAELO COCCCOCCN(C)c1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000245596619 395932145 /nfs/dbraw/zinc/93/21/45/395932145.db2.gz NITCQMNWFYLSIN-AWEZNQCLSA-N 1 2 324.425 0.927 10 0 DCAELO CC(C)[C@@H](NC(=O)NCc1cccnc1-n1cc[nH+]c1)C(N)=O ZINC000134690516 395933880 /nfs/dbraw/zinc/93/38/80/395933880.db2.gz KCXCBFWHBFAWFH-GFCCVEGCSA-N 1 2 316.365 0.576 10 0 DCAELO CN(CCn1cccn1)c1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000246042569 395940151 /nfs/dbraw/zinc/94/01/51/395940151.db2.gz AOQWAFYLZXFNLZ-ZDUSSCGKSA-N 1 2 302.382 0.771 10 0 DCAELO CN(CCn1cccn1)c1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000246042569 395940154 /nfs/dbraw/zinc/94/01/54/395940154.db2.gz AOQWAFYLZXFNLZ-ZDUSSCGKSA-N 1 2 302.382 0.771 10 0 DCAELO C[C@@H]1OCC[C@@H]1S(=O)(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000135510825 395940168 /nfs/dbraw/zinc/94/01/68/395940168.db2.gz QWAOACZWWYYPIS-AAEUAGOBSA-N 1 2 322.390 0.864 10 0 DCAELO CCn1cc(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)cn1 ZINC000136544309 395947946 /nfs/dbraw/zinc/94/79/46/395947946.db2.gz DWBMOSWPQWRNAK-TZMCWYRMSA-N 1 2 320.393 0.265 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@@H](O)c2cccc(F)c2)C1 ZINC000246453435 395951051 /nfs/dbraw/zinc/95/10/51/395951051.db2.gz OVQSVHKVZBXMEY-UONOGXRCSA-N 1 2 311.357 0.489 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)NC[C@@H](O)c2cccc(F)c2)C1 ZINC000246453435 395951054 /nfs/dbraw/zinc/95/10/54/395951054.db2.gz OVQSVHKVZBXMEY-UONOGXRCSA-N 1 2 311.357 0.489 10 0 DCAELO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000246521329 395952091 /nfs/dbraw/zinc/95/20/91/395952091.db2.gz PHJPSCLDYZONFV-DGTMBMJNSA-N 1 2 311.426 0.644 10 0 DCAELO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000246521329 395952093 /nfs/dbraw/zinc/95/20/93/395952093.db2.gz PHJPSCLDYZONFV-DGTMBMJNSA-N 1 2 311.426 0.644 10 0 DCAELO CSc1nccc(-c2n[nH]c3nc(NCCO)[nH+]cc32)n1 ZINC000143415449 395961320 /nfs/dbraw/zinc/96/13/20/395961320.db2.gz KMOBWWJPXAHTEP-UHFFFAOYSA-N 1 2 303.351 0.936 10 0 DCAELO CC(=O)N1CCC[C@H](C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)C1 ZINC000247243883 395969351 /nfs/dbraw/zinc/96/93/51/395969351.db2.gz YFVCMFRXGYYCDH-CWRNSKLLSA-N 1 2 323.437 0.424 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCN2c2nccs2)C1 ZINC000247595288 395976578 /nfs/dbraw/zinc/97/65/78/395976578.db2.gz OCDVIIQNEFRGMO-NWDGAFQWSA-N 1 2 310.423 0.559 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCN2c2nccs2)C1 ZINC000247595288 395976580 /nfs/dbraw/zinc/97/65/80/395976580.db2.gz OCDVIIQNEFRGMO-NWDGAFQWSA-N 1 2 310.423 0.559 10 0 DCAELO Cc1cc(=O)[nH]c([C@H](C)[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)n1 ZINC000248790291 395997105 /nfs/dbraw/zinc/99/71/05/395997105.db2.gz XLLIXMNOSXNHQO-VHSXEESVSA-N 1 2 300.384 0.175 10 0 DCAELO Cc1cc(=O)[nH]c([C@H](C)[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)n1 ZINC000248790291 395997106 /nfs/dbraw/zinc/99/71/06/395997106.db2.gz XLLIXMNOSXNHQO-VHSXEESVSA-N 1 2 300.384 0.175 10 0 DCAELO Cc1[nH]nc(C(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)c1C ZINC000276730897 396024615 /nfs/dbraw/zinc/02/46/15/396024615.db2.gz QWCRHCSXXWQRFD-GFCCVEGCSA-N 1 2 302.382 0.889 10 0 DCAELO Cc1[nH]nc(C(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)c1C ZINC000276730900 396024655 /nfs/dbraw/zinc/02/46/55/396024655.db2.gz QWCRHCSXXWQRFD-LBPRGKRZSA-N 1 2 302.382 0.889 10 0 DCAELO C[C@H](CNC(=O)N[C@@H]1c2ccccc2C[C@H]1O)[NH+]1CCOCC1 ZINC000249502145 396008870 /nfs/dbraw/zinc/00/88/70/396008870.db2.gz BJEYZFKRFYIOSZ-DAXOMENPSA-N 1 2 319.405 0.665 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)C1 ZINC000250527959 396014927 /nfs/dbraw/zinc/01/49/27/396014927.db2.gz ROXPXUKDLJQZCF-DZGCQCFKSA-N 1 2 321.352 0.766 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)C1 ZINC000250527959 396014929 /nfs/dbraw/zinc/01/49/29/396014929.db2.gz ROXPXUKDLJQZCF-DZGCQCFKSA-N 1 2 321.352 0.766 10 0 DCAELO CN(C)C(=O)c1cccc(C(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000171294583 396113504 /nfs/dbraw/zinc/11/35/04/396113504.db2.gz KBLDNJOOPSSKAP-AWEZNQCLSA-N 1 2 305.378 0.449 10 0 DCAELO CN(C)C(=O)c1cccc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000171294583 396113510 /nfs/dbraw/zinc/11/35/10/396113510.db2.gz KBLDNJOOPSSKAP-AWEZNQCLSA-N 1 2 305.378 0.449 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)Nc2ccc(-n3nccn3)cc2)C1 ZINC000171706019 396122709 /nfs/dbraw/zinc/12/27/09/396122709.db2.gz JTXPGCLNSZXLAE-AWEZNQCLSA-N 1 2 316.365 0.719 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)Nc2ccc(-n3nccn3)cc2)C1 ZINC000171706019 396122711 /nfs/dbraw/zinc/12/27/11/396122711.db2.gz JTXPGCLNSZXLAE-AWEZNQCLSA-N 1 2 316.365 0.719 10 0 DCAELO CCN(CC)S(=O)(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000173896055 396136496 /nfs/dbraw/zinc/13/64/96/396136496.db2.gz AMZBOAOQOJLYQD-CQSZACIVSA-N 1 2 319.471 0.760 10 0 DCAELO C[C@@H](C(=O)Nc1nccs1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173989944 396137266 /nfs/dbraw/zinc/13/72/66/396137266.db2.gz XTWSXKWBWFVXCG-RYUDHWBXSA-N 1 2 310.423 0.877 10 0 DCAELO C[C@@H](C(=O)Nc1nccs1)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173989944 396137269 /nfs/dbraw/zinc/13/72/69/396137269.db2.gz XTWSXKWBWFVXCG-RYUDHWBXSA-N 1 2 310.423 0.877 10 0 DCAELO C[C@@H](C(=O)Nc1nccs1)[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173989944 396137271 /nfs/dbraw/zinc/13/72/71/396137271.db2.gz XTWSXKWBWFVXCG-RYUDHWBXSA-N 1 2 310.423 0.877 10 0 DCAELO Cn1c[nH+]c2c1CCN(CC(=O)N1CCO[C@@H]3CCCC[C@@H]31)C2 ZINC000069490019 396080579 /nfs/dbraw/zinc/08/05/79/396080579.db2.gz UPIJYPJXNRRKOL-JKSUJKDBSA-N 1 2 318.421 0.948 10 0 DCAELO Cn1cc([C@@H]2CN(C(=O)[C@H]3CC(F)(F)C[NH2+]3)CCO2)cn1 ZINC000263219409 396206504 /nfs/dbraw/zinc/20/65/04/396206504.db2.gz LPCLWGUMQDYNNG-MNOVXSKESA-N 1 2 300.309 0.317 10 0 DCAELO Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000176153767 396150880 /nfs/dbraw/zinc/15/08/80/396150880.db2.gz QMDNNPAAHQHAQF-LLVKDONJSA-N 1 2 322.409 0.436 10 0 DCAELO Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000176153767 396150884 /nfs/dbraw/zinc/15/08/84/396150884.db2.gz QMDNNPAAHQHAQF-LLVKDONJSA-N 1 2 322.409 0.436 10 0 DCAELO COc1ncc(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)cc1C(N)=O ZINC000263268863 396210434 /nfs/dbraw/zinc/21/04/34/396210434.db2.gz RXXFKOJYJZMFFP-MRVPVSSYSA-N 1 2 300.265 0.125 10 0 DCAELO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)N1CCCCCC1 ZINC000074316236 396163712 /nfs/dbraw/zinc/16/37/12/396163712.db2.gz IXFGBIMTWVESNH-LBPRGKRZSA-N 1 2 303.428 0.142 10 0 DCAELO NS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)N1CCCCCC1 ZINC000074316236 396163715 /nfs/dbraw/zinc/16/37/15/396163715.db2.gz IXFGBIMTWVESNH-LBPRGKRZSA-N 1 2 303.428 0.142 10 0 DCAELO COc1ncc(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)cc1C(N)=O ZINC000263268865 396210516 /nfs/dbraw/zinc/21/05/16/396210516.db2.gz RXXFKOJYJZMFFP-QMMMGPOBSA-N 1 2 300.265 0.125 10 0 DCAELO Cn1c(=O)cc(C[N@@H+]2CCO[C@@H](c3ccsc3)C2)n(C)c1=O ZINC000176988014 396164333 /nfs/dbraw/zinc/16/43/33/396164333.db2.gz OSWXFXCJZWNLSF-CYBMUJFWSA-N 1 2 321.402 0.719 10 0 DCAELO Cn1c(=O)cc(C[N@H+]2CCO[C@@H](c3ccsc3)C2)n(C)c1=O ZINC000176988014 396164338 /nfs/dbraw/zinc/16/43/38/396164338.db2.gz OSWXFXCJZWNLSF-CYBMUJFWSA-N 1 2 321.402 0.719 10 0 DCAELO O=c1[nH]c2ccc(S(=O)(=O)N3CC[NH+](C4CC4)CC3)cc2[nH]1 ZINC000074766222 396171974 /nfs/dbraw/zinc/17/19/74/396171974.db2.gz RNTPVXIDOAZBGC-UHFFFAOYSA-N 1 2 322.390 0.325 10 0 DCAELO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)C(C)(C)C)CC1 ZINC000075635783 396183338 /nfs/dbraw/zinc/18/33/38/396183338.db2.gz XISXKWWOXATJGB-ZDUSSCGKSA-N 1 2 311.426 0.424 10 0 DCAELO CS(=O)(=O)Cc1nc(CN2CC[NH+](C3CC3)CC2)cs1 ZINC000075673748 396185224 /nfs/dbraw/zinc/18/52/24/396185224.db2.gz NIFUNFRTMILAOG-UHFFFAOYSA-N 1 2 315.464 0.968 10 0 DCAELO CC(C)c1nc2n(n1)C[C@@H](NC(=O)[C@H]1CC(F)(F)C[NH2+]1)CC2 ZINC000263294191 396211863 /nfs/dbraw/zinc/21/18/63/396211863.db2.gz WCHGNITYHVEWRZ-VHSXEESVSA-N 1 2 313.352 0.830 10 0 DCAELO O=C1NCC[C@H]1[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000178289344 396193034 /nfs/dbraw/zinc/19/30/34/396193034.db2.gz RWBJIEUIOUFRTC-LLVKDONJSA-N 1 2 303.391 0.702 10 0 DCAELO CN1C(=O)COc2ccc(NC(=O)[C@H]3CC(F)(F)C[NH2+]3)cc21 ZINC000262975808 396195374 /nfs/dbraw/zinc/19/53/74/396195374.db2.gz MGVLDXTVZGCOJW-SECBINFHSA-N 1 2 311.288 0.978 10 0 DCAELO Cc1ccc(C(=O)NCCNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)cc1 ZINC000263008255 396197970 /nfs/dbraw/zinc/19/79/70/396197970.db2.gz PLNCUZDYBKKQMR-LBPRGKRZSA-N 1 2 311.332 0.838 10 0 DCAELO O=C(NCCCNc1cccc[nH+]1)NCCCn1ccnn1 ZINC000182714046 396252426 /nfs/dbraw/zinc/25/24/26/396252426.db2.gz DGMYBQLHOXHCIV-UHFFFAOYSA-N 1 2 303.370 0.865 10 0 DCAELO COC(=O)c1coc(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c1 ZINC000183813063 396275843 /nfs/dbraw/zinc/27/58/43/396275843.db2.gz SQERVVZDQRYCNS-DGCLKSJQSA-N 1 2 322.361 0.859 10 0 DCAELO COCCCCS(=O)(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000184936951 396311578 /nfs/dbraw/zinc/31/15/78/396311578.db2.gz AOTXOVIWGXXBII-QWHCGFSZSA-N 1 2 308.444 0.130 10 0 DCAELO COCCCCS(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000184936951 396311580 /nfs/dbraw/zinc/31/15/80/396311580.db2.gz AOTXOVIWGXXBII-QWHCGFSZSA-N 1 2 308.444 0.130 10 0 DCAELO CNC(=O)CC(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000185033182 396315268 /nfs/dbraw/zinc/31/52/68/396315268.db2.gz JBMSXZOCWCFJDP-UHFFFAOYSA-N 1 2 305.378 0.476 10 0 DCAELO OC[C@H]1C[C@@H](O)C[N@@H+]1Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC000185138084 396318692 /nfs/dbraw/zinc/31/86/92/396318692.db2.gz WETDRQCYIUYUEO-ZIAGYGMSSA-N 1 2 308.769 0.848 10 0 DCAELO OC[C@H]1C[C@@H](O)C[N@H+]1Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC000185138084 396318694 /nfs/dbraw/zinc/31/86/94/396318694.db2.gz WETDRQCYIUYUEO-ZIAGYGMSSA-N 1 2 308.769 0.848 10 0 DCAELO O=S(=O)(c1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2CO)cc1)C(F)F ZINC000185137980 396318747 /nfs/dbraw/zinc/31/87/47/396318747.db2.gz ZTGNEQVCCDLYGH-MNOVXSKESA-N 1 2 321.345 0.610 10 0 DCAELO O=S(=O)(c1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)cc1)C(F)F ZINC000185137980 396318748 /nfs/dbraw/zinc/31/87/48/396318748.db2.gz ZTGNEQVCCDLYGH-MNOVXSKESA-N 1 2 321.345 0.610 10 0 DCAELO COCCCCS(=O)(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000184480322 396297224 /nfs/dbraw/zinc/29/72/24/396297224.db2.gz OSUHBACWNVSLBS-QWHCGFSZSA-N 1 2 308.444 0.442 10 0 DCAELO O=C(NC1C[NH+](C[C@@H](O)COCc2ccco2)C1)C1CCC1 ZINC000185935873 396338004 /nfs/dbraw/zinc/33/80/04/396338004.db2.gz ILKUKNKRQCMFCE-CQSZACIVSA-N 1 2 308.378 0.758 10 0 DCAELO CNC(=O)CC(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000186242827 396346346 /nfs/dbraw/zinc/34/63/46/396346346.db2.gz RJBAERQDQMOFSN-UHFFFAOYSA-N 1 2 304.394 0.509 10 0 DCAELO O=C1C[N@H+](C[C@@H](O)Cn2cccn2)CCN1c1cccs1 ZINC000186091093 396341364 /nfs/dbraw/zinc/34/13/64/396341364.db2.gz BHZMSFZAOOTHQD-GFCCVEGCSA-N 1 2 306.391 0.654 10 0 DCAELO O=C1C[N@@H+](C[C@@H](O)Cn2cccn2)CCN1c1cccs1 ZINC000186091093 396341367 /nfs/dbraw/zinc/34/13/67/396341367.db2.gz BHZMSFZAOOTHQD-GFCCVEGCSA-N 1 2 306.391 0.654 10 0 DCAELO CN1C(=O)N[C@@H]2C[N@H+]([C@@H]3CCN(c4ccccc4)C3=O)CC[C@@H]21 ZINC000285826412 396356307 /nfs/dbraw/zinc/35/63/07/396356307.db2.gz PEQPZXBYPKPJFY-QLFBSQMISA-N 1 2 314.389 0.890 10 0 DCAELO CN1C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCN(c4ccccc4)C3=O)CC[C@@H]21 ZINC000285826412 396356308 /nfs/dbraw/zinc/35/63/08/396356308.db2.gz PEQPZXBYPKPJFY-QLFBSQMISA-N 1 2 314.389 0.890 10 0 DCAELO CN1C[C@@H](C(=O)N2CCCN(c3cccc[nH+]3)CC2)CC1=O ZINC000186405233 396349556 /nfs/dbraw/zinc/34/95/56/396349556.db2.gz NYMIFGAEMJFGJW-ZDUSSCGKSA-N 1 2 302.378 0.599 10 0 DCAELO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000189327074 396394023 /nfs/dbraw/zinc/39/40/23/396394023.db2.gz JHGAKZFWSIMICR-FRRDWIJNSA-N 1 2 307.354 0.397 10 0 DCAELO CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000189327074 396394026 /nfs/dbraw/zinc/39/40/26/396394026.db2.gz JHGAKZFWSIMICR-FRRDWIJNSA-N 1 2 307.354 0.397 10 0 DCAELO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](C[C@H](O)Cn2cccn2)C1 ZINC000189327049 396394562 /nfs/dbraw/zinc/39/45/62/396394562.db2.gz JHGAKZFWSIMICR-RWMBFGLXSA-N 1 2 307.354 0.397 10 0 DCAELO CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC000189327049 396394566 /nfs/dbraw/zinc/39/45/66/396394566.db2.gz JHGAKZFWSIMICR-RWMBFGLXSA-N 1 2 307.354 0.397 10 0 DCAELO COc1cnccc1[C@H](C)NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000189795956 396399780 /nfs/dbraw/zinc/39/97/80/396399780.db2.gz IIMKKSFLVVZYAN-RYUDHWBXSA-N 1 2 308.382 0.781 10 0 DCAELO COc1cnccc1[C@H](C)NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000189795956 396399781 /nfs/dbraw/zinc/39/97/81/396399781.db2.gz IIMKKSFLVVZYAN-RYUDHWBXSA-N 1 2 308.382 0.781 10 0 DCAELO CN(C)c1[nH+]cccc1CNC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000190206653 396402902 /nfs/dbraw/zinc/40/29/02/396402902.db2.gz LVSGRNPXLDXXPW-UHFFFAOYSA-N 1 2 317.393 0.568 10 0 DCAELO CCC[C@@H](C)NC(=O)[C@@H](C)[N@@H+]1CCCN(CCOC)C(=O)C1 ZINC000190772345 396411136 /nfs/dbraw/zinc/41/11/36/396411136.db2.gz MFXBXYGEPCIVOQ-ZIAGYGMSSA-N 1 2 313.442 0.860 10 0 DCAELO CCC[C@@H](C)NC(=O)[C@@H](C)[N@H+]1CCCN(CCOC)C(=O)C1 ZINC000190772345 396411139 /nfs/dbraw/zinc/41/11/39/396411139.db2.gz MFXBXYGEPCIVOQ-ZIAGYGMSSA-N 1 2 313.442 0.860 10 0 DCAELO Cc1csc2nc(C[N@H+]3CCCN(C)C(=O)C3)cc(=O)n12 ZINC000191086107 396415338 /nfs/dbraw/zinc/41/53/38/396415338.db2.gz RFKMYBKJULJZTL-UHFFFAOYSA-N 1 2 306.391 0.729 10 0 DCAELO Cc1csc2nc(C[N@@H+]3CCCN(C)C(=O)C3)cc(=O)n12 ZINC000191086107 396415341 /nfs/dbraw/zinc/41/53/41/396415341.db2.gz RFKMYBKJULJZTL-UHFFFAOYSA-N 1 2 306.391 0.729 10 0 DCAELO CN1CCC[N@@H+]([C@H](Cc2ccc(Cl)cc2)C(N)=O)CC1=O ZINC000191128231 396415954 /nfs/dbraw/zinc/41/59/54/396415954.db2.gz SYQYAFLUDSCZCO-CYBMUJFWSA-N 1 2 309.797 0.901 10 0 DCAELO CN1CCC[N@H+]([C@H](Cc2ccc(Cl)cc2)C(N)=O)CC1=O ZINC000191128231 396415956 /nfs/dbraw/zinc/41/59/56/396415956.db2.gz SYQYAFLUDSCZCO-CYBMUJFWSA-N 1 2 309.797 0.901 10 0 DCAELO CN1CCC[N@H+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1=O ZINC000191156458 396416032 /nfs/dbraw/zinc/41/60/32/396416032.db2.gz DNVWONTXZZGWEL-UONOGXRCSA-N 1 2 309.410 0.321 10 0 DCAELO CN1CCC[N@@H+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1=O ZINC000191156458 396416034 /nfs/dbraw/zinc/41/60/34/396416034.db2.gz DNVWONTXZZGWEL-UONOGXRCSA-N 1 2 309.410 0.321 10 0 DCAELO Cn1cnc(-c2cccc(OC[C@H](O)C[NH+]3CCOCC3)c2)n1 ZINC000191395246 396419096 /nfs/dbraw/zinc/41/90/96/396419096.db2.gz RJAFMTXQJQFVCY-CQSZACIVSA-N 1 2 318.377 0.554 10 0 DCAELO C[C@H](C(=O)N(C)C)S(=O)(=O)NCc1ccc[nH+]c1N(C)C ZINC000192014626 396428449 /nfs/dbraw/zinc/42/84/49/396428449.db2.gz CNUZVPWFAPNKPP-SNVBAGLBSA-N 1 2 314.411 0.044 10 0 DCAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1c[nH]c2cc(F)ccc12 ZINC000192889749 396439781 /nfs/dbraw/zinc/43/97/81/396439781.db2.gz WWSUBGIPFLNUMU-GFCCVEGCSA-N 1 2 321.352 0.730 10 0 DCAELO CC1=CC[N@H+](CCNC(=O)N2CC[C@H](S(C)(=O)=O)C2)CC1 ZINC000580089378 396487288 /nfs/dbraw/zinc/48/72/88/396487288.db2.gz XZELPIXTCGEZMT-ZDUSSCGKSA-N 1 2 315.439 0.467 10 0 DCAELO CC1=CC[N@@H+](CCNC(=O)N2CC[C@H](S(C)(=O)=O)C2)CC1 ZINC000580089378 396487289 /nfs/dbraw/zinc/48/72/89/396487289.db2.gz XZELPIXTCGEZMT-ZDUSSCGKSA-N 1 2 315.439 0.467 10 0 DCAELO O=C(C[N@H+]1C[C@H](F)C[C@@H]1CO)N1CCO[C@H]2CCCC[C@@H]21 ZINC000372897649 396552517 /nfs/dbraw/zinc/55/25/17/396552517.db2.gz OIVDKBFMYSZADU-MQYQWHSLSA-N 1 2 300.374 0.561 10 0 DCAELO O=C(C[N@@H+]1C[C@H](F)C[C@@H]1CO)N1CCO[C@H]2CCCC[C@@H]21 ZINC000372897649 396552518 /nfs/dbraw/zinc/55/25/18/396552518.db2.gz OIVDKBFMYSZADU-MQYQWHSLSA-N 1 2 300.374 0.561 10 0 DCAELO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2nc(N)nc(N)n2)C1 ZINC000533483479 396603962 /nfs/dbraw/zinc/60/39/62/396603962.db2.gz LXELOHPOZUHQKO-JTQLQIEISA-N 1 2 322.413 0.641 10 0 DCAELO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2nc(N)nc(N)n2)C1 ZINC000533483479 396603963 /nfs/dbraw/zinc/60/39/63/396603963.db2.gz LXELOHPOZUHQKO-JTQLQIEISA-N 1 2 322.413 0.641 10 0 DCAELO Cc1nnc2ccc(N3CCN(C)[C@H](c4[nH+]ccn4C)C3)nn12 ZINC000373679299 396607505 /nfs/dbraw/zinc/60/75/05/396607505.db2.gz FECHSBISHJMYFN-LBPRGKRZSA-N 1 2 312.381 0.659 10 0 DCAELO CC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)C1 ZINC000374380001 396659956 /nfs/dbraw/zinc/65/99/56/396659956.db2.gz YYVIEVOXPIZTET-CVEARBPZSA-N 1 2 316.405 0.813 10 0 DCAELO COC(=O)C1CCN(C(=O)[C@@H](C)[N@@H+]2CCO[C@@H](C3CC3)C2)CC1 ZINC000375346068 396730789 /nfs/dbraw/zinc/73/07/89/396730789.db2.gz XFIVANVYIHHFKB-IUODEOHRSA-N 1 2 324.421 0.897 10 0 DCAELO COC(=O)C1CCN(C(=O)[C@@H](C)[N@H+]2CCO[C@@H](C3CC3)C2)CC1 ZINC000375346068 396730793 /nfs/dbraw/zinc/73/07/93/396730793.db2.gz XFIVANVYIHHFKB-IUODEOHRSA-N 1 2 324.421 0.897 10 0 DCAELO CN(C[C@H]1C[N@H+](C)CCO1)C(=O)Cc1cnn2ccccc12 ZINC000633919428 396745563 /nfs/dbraw/zinc/74/55/63/396745563.db2.gz ZDQRGPFDUHLMMX-CQSZACIVSA-N 1 2 302.378 0.666 10 0 DCAELO CN(C[C@H]1C[N@@H+](C)CCO1)C(=O)Cc1cnn2ccccc12 ZINC000633919428 396745569 /nfs/dbraw/zinc/74/55/69/396745569.db2.gz ZDQRGPFDUHLMMX-CQSZACIVSA-N 1 2 302.378 0.666 10 0 DCAELO CN1CCN(C(=O)COC[C@@H]2CCCO2)C[C@H]1c1[nH]cc[nH+]1 ZINC000328643846 396829413 /nfs/dbraw/zinc/82/94/13/396829413.db2.gz YZQXPHDRMLVUKV-STQMWFEESA-N 1 2 308.382 0.420 10 0 DCAELO CN1CCN(C(=O)COC[C@@H]2CCCO2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000328643843 396829494 /nfs/dbraw/zinc/82/94/94/396829494.db2.gz YZQXPHDRMLVUKV-QWHCGFSZSA-N 1 2 308.382 0.420 10 0 DCAELO Cc1[nH]ccc1C(=O)N1CCO[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000375886754 396839931 /nfs/dbraw/zinc/83/99/31/396839931.db2.gz ZCFGSMRKMIRZDK-CQSZACIVSA-N 1 2 306.410 0.412 10 0 DCAELO CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC000618754142 397022888 /nfs/dbraw/zinc/02/28/88/397022888.db2.gz DENGGLDKXIKRRW-VXGBXAGGSA-N 1 2 324.381 0.236 10 0 DCAELO COC(=O)[C@@H]1CC[C@H]1C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000377155958 397039662 /nfs/dbraw/zinc/03/96/62/397039662.db2.gz WAKPNKZMLGAPGZ-RBSFLKMASA-N 1 2 324.421 0.899 10 0 DCAELO O=C(NCc1n[nH]cc1Br)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000573244154 397149626 /nfs/dbraw/zinc/14/96/26/397149626.db2.gz SYJQTDQHNHQKAB-LURJTMIESA-N 1 2 309.114 0.786 10 0 DCAELO CC(=O)N1CCN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C(C)(C)C1 ZINC000613258365 397230332 /nfs/dbraw/zinc/23/03/32/397230332.db2.gz WSNRQYIMOFXJJY-LBPRGKRZSA-N 1 2 304.394 0.984 10 0 DCAELO CC(=O)N1CCN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C(C)(C)C1 ZINC000613258365 397230340 /nfs/dbraw/zinc/23/03/40/397230340.db2.gz WSNRQYIMOFXJJY-LBPRGKRZSA-N 1 2 304.394 0.984 10 0 DCAELO Cc1[nH+]c2n(c1C)CCN(CC(=O)N1CCC[C@@H](C(N)=O)C1)C2 ZINC000364729671 397239953 /nfs/dbraw/zinc/23/99/53/397239953.db2.gz YAGPGQXLGJVVSR-CYBMUJFWSA-N 1 2 319.409 0.039 10 0 DCAELO CS(=O)(=O)CC1(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)CC1 ZINC000407947460 397331989 /nfs/dbraw/zinc/33/19/89/397331989.db2.gz DMNUKKGAERHMNB-SNVBAGLBSA-N 1 2 301.330 0.810 10 0 DCAELO CS(=O)(=O)CC1(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)CC1 ZINC000407947460 397331992 /nfs/dbraw/zinc/33/19/92/397331992.db2.gz DMNUKKGAERHMNB-SNVBAGLBSA-N 1 2 301.330 0.810 10 0 DCAELO CC[C@H](C)[C@H](NC(C)=O)C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000408083226 397346385 /nfs/dbraw/zinc/34/63/85/397346385.db2.gz IOWPBJYAVDHURH-ATGSNQNLSA-N 1 2 311.426 0.469 10 0 DCAELO CC[C@H](C)[C@H](NC(C)=O)C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000408083226 397346388 /nfs/dbraw/zinc/34/63/88/397346388.db2.gz IOWPBJYAVDHURH-ATGSNQNLSA-N 1 2 311.426 0.469 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1C[C@@H](O)C[C@H]1CO)C2 ZINC000476790010 397454650 /nfs/dbraw/zinc/45/46/50/397454650.db2.gz GSSMROATUVIKLC-SRVKXCTJSA-N 1 2 307.394 0.592 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1C[C@@H](O)C[C@H]1CO)CC2 ZINC000476790010 397454654 /nfs/dbraw/zinc/45/46/54/397454654.db2.gz GSSMROATUVIKLC-SRVKXCTJSA-N 1 2 307.394 0.592 10 0 DCAELO CC(=O)N1CC[NH+](CCNC(=O)C[C@H](C)c2cccnc2)CC1 ZINC000604313199 397636362 /nfs/dbraw/zinc/63/63/62/397636362.db2.gz JBBGZNQJZDLLKX-AWEZNQCLSA-N 1 2 318.421 0.856 10 0 DCAELO CS(=O)(=O)NCCCNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606582126 397683973 /nfs/dbraw/zinc/68/39/73/397683973.db2.gz DMUFKXAHEAQCNI-UHFFFAOYSA-N 1 2 311.367 0.395 10 0 DCAELO O=C(NCCN1C(=O)CCC1=O)Nc1ccc2[nH+]ccn2c1 ZINC000606583438 397684107 /nfs/dbraw/zinc/68/41/07/397684107.db2.gz BDPNTYRQGMQDHK-UHFFFAOYSA-N 1 2 301.306 0.605 10 0 DCAELO Cn1cc(S(=O)(=O)Nc2ccc3[nH+]ccn3c2)cc1C(N)=O ZINC000606753202 397687509 /nfs/dbraw/zinc/68/75/09/397687509.db2.gz UTVXKEXLSSVZRE-UHFFFAOYSA-N 1 2 319.346 0.573 10 0 DCAELO COc1ccc(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)c(O)c1 ZINC000284653469 286281065 /nfs/dbraw/zinc/28/10/65/286281065.db2.gz WIHKFCCGFYFBEO-DZGCQCFKSA-N 1 2 306.362 0.946 10 0 DCAELO COc1ccc(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)c(O)c1 ZINC000284653469 286281068 /nfs/dbraw/zinc/28/10/68/286281068.db2.gz WIHKFCCGFYFBEO-DZGCQCFKSA-N 1 2 306.362 0.946 10 0 DCAELO O=C(NCCNC(=O)c1ccccc1)NCC[NH+]1CCOCC1 ZINC000047618291 158004044 /nfs/dbraw/zinc/00/40/44/158004044.db2.gz MDTBGGMBQHBJJP-UHFFFAOYSA-N 1 2 320.393 0.048 10 0 DCAELO O=C(C[N@@H+]1CCNC(=O)CC1)Nc1ccnn1C1CCCC1 ZINC000054258856 158019378 /nfs/dbraw/zinc/01/93/78/158019378.db2.gz PNTPYUCNEBTOCN-UHFFFAOYSA-N 1 2 305.382 0.759 10 0 DCAELO O=C(C[N@H+]1CCNC(=O)CC1)Nc1ccnn1C1CCCC1 ZINC000054258856 158019381 /nfs/dbraw/zinc/01/93/81/158019381.db2.gz PNTPYUCNEBTOCN-UHFFFAOYSA-N 1 2 305.382 0.759 10 0 DCAELO C[C@H](CNC(=O)[C@@H]1Cc2cc(F)ccc2O1)[NH+]1CCOCC1 ZINC000076957849 158066188 /nfs/dbraw/zinc/06/61/88/158066188.db2.gz FTBHDDFFHGBNPZ-ABAIWWIYSA-N 1 2 308.353 0.966 10 0 DCAELO O=C(CSCC(F)(F)F)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000090165926 158101875 /nfs/dbraw/zinc/10/18/75/158101875.db2.gz BRRJKUIWAPOAOE-SECBINFHSA-N 1 2 316.345 0.091 10 0 DCAELO CC1(C)NC(=O)N(CC(=O)N2CCC(n3cc[nH+]c3)CC2)C1=O ZINC000101864878 158127690 /nfs/dbraw/zinc/12/76/90/158127690.db2.gz XMWZFPUDIQNEEF-UHFFFAOYSA-N 1 2 319.365 0.377 10 0 DCAELO CC(C)(C)C(=O)NCCC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000114855160 158158113 /nfs/dbraw/zinc/15/81/13/158158113.db2.gz SDIMZDQIGKXRMT-CYBMUJFWSA-N 1 2 311.426 0.518 10 0 DCAELO CC(C)(C)C(=O)NCCC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000114855160 158158115 /nfs/dbraw/zinc/15/81/15/158158115.db2.gz SDIMZDQIGKXRMT-CYBMUJFWSA-N 1 2 311.426 0.518 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2cccc(-n3cccn3)c2)C1 ZINC000116739838 158166313 /nfs/dbraw/zinc/16/63/13/158166313.db2.gz BYTASDDUABETRS-HNNXBMFYSA-N 1 2 300.362 0.933 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)c2cccc(-n3cccn3)c2)C1 ZINC000116739838 158166317 /nfs/dbraw/zinc/16/63/17/158166317.db2.gz BYTASDDUABETRS-HNNXBMFYSA-N 1 2 300.362 0.933 10 0 DCAELO CC(C)CN(C(=O)C[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1)C(C)C ZINC000116889630 158166756 /nfs/dbraw/zinc/16/67/56/158166756.db2.gz FPBSMSWWTJZXMZ-CYBMUJFWSA-N 1 2 319.471 0.503 10 0 DCAELO CC(C)CN(C(=O)C[N@H+]1CC[C@@H](NS(C)(=O)=O)C1)C(C)C ZINC000116889630 158166758 /nfs/dbraw/zinc/16/67/58/158166758.db2.gz FPBSMSWWTJZXMZ-CYBMUJFWSA-N 1 2 319.471 0.503 10 0 DCAELO CCOC(=O)C(C)(C)C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000120021847 158192118 /nfs/dbraw/zinc/19/21/18/158192118.db2.gz ZEYCPMCEQNDSHJ-STQMWFEESA-N 1 2 312.410 0.755 10 0 DCAELO C[C@H](CNC(=O)NCCNC(=O)C(C)(C)C)[NH+]1CCOCC1 ZINC000120869639 158205467 /nfs/dbraw/zinc/20/54/67/158205467.db2.gz MRDZJIIMMRHHCT-GFCCVEGCSA-N 1 2 314.430 0.169 10 0 DCAELO Cc1noc(C)c1S(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000122355869 158221039 /nfs/dbraw/zinc/22/10/39/158221039.db2.gz KRUGCAFLNGHIEP-NXEZZACHSA-N 1 2 317.411 0.367 10 0 DCAELO Cc1noc(C)c1S(=O)(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000122355869 158221040 /nfs/dbraw/zinc/22/10/40/158221040.db2.gz KRUGCAFLNGHIEP-NXEZZACHSA-N 1 2 317.411 0.367 10 0 DCAELO CN(C)C(=O)CNC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000129221310 158286690 /nfs/dbraw/zinc/28/66/90/158286690.db2.gz DLWRUGUGNWWHJR-UHFFFAOYSA-N 1 2 305.382 0.392 10 0 DCAELO Cn1cccc1[C@@H]1COCC[N@@H+]1C[C@H](O)CN1CCCC1=O ZINC000131996924 158306830 /nfs/dbraw/zinc/30/68/30/158306830.db2.gz ISDKCXHZZAEJBO-ZFWWWQNUSA-N 1 2 307.394 0.382 10 0 DCAELO Cn1cccc1[C@@H]1COCC[N@H+]1C[C@H](O)CN1CCCC1=O ZINC000131996924 158306833 /nfs/dbraw/zinc/30/68/33/158306833.db2.gz ISDKCXHZZAEJBO-ZFWWWQNUSA-N 1 2 307.394 0.382 10 0 DCAELO O=C(C[C@@H]1NC(=O)NC1=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000138494679 158346737 /nfs/dbraw/zinc/34/67/37/158346737.db2.gz FYDQAKIEECJEMZ-NSHDSACASA-N 1 2 313.317 0.087 10 0 DCAELO Cn1c2ccc(NC(=O)NC[C@H]3C[N@H+](C)CCO3)cc2oc1=O ZINC000150862228 158347901 /nfs/dbraw/zinc/34/79/01/158347901.db2.gz OJEAWBVPLMPSNO-NSHDSACASA-N 1 2 320.349 0.584 10 0 DCAELO Cn1c2ccc(NC(=O)NC[C@H]3C[N@@H+](C)CCO3)cc2oc1=O ZINC000150862228 158347902 /nfs/dbraw/zinc/34/79/02/158347902.db2.gz OJEAWBVPLMPSNO-NSHDSACASA-N 1 2 320.349 0.584 10 0 DCAELO O=C([C@@H]1CCc2n[nH]nc2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000170241271 158373740 /nfs/dbraw/zinc/37/37/40/158373740.db2.gz WERZASJEFKYKON-GFCCVEGCSA-N 1 2 312.377 0.653 10 0 DCAELO Cc1nn(C)c(C)c1CCNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000170921401 158378118 /nfs/dbraw/zinc/37/81/18/158378118.db2.gz BBQQOBHLAVOCFY-ZDUSSCGKSA-N 1 2 309.414 0.209 10 0 DCAELO Cc1nn(C)c(C)c1CCNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000170921401 158378119 /nfs/dbraw/zinc/37/81/19/158378119.db2.gz BBQQOBHLAVOCFY-ZDUSSCGKSA-N 1 2 309.414 0.209 10 0 DCAELO C[C@H](CNC(=O)N[C@@H]1Cc2ccccc2[C@@H]1O)[NH+]1CCOCC1 ZINC000171751848 158386632 /nfs/dbraw/zinc/38/66/32/158386632.db2.gz WSWKQEJTBZVLBY-WQVCFCJDSA-N 1 2 319.405 0.665 10 0 DCAELO O=S(=O)(C[C@H]1CCCCO1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000172389432 158393775 /nfs/dbraw/zinc/39/37/75/158393775.db2.gz IDGRPYOQKMUQSU-ZIAGYGMSSA-N 1 2 318.439 0.338 10 0 DCAELO O=S(=O)(C[C@H]1CCCCO1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000172389432 158393777 /nfs/dbraw/zinc/39/37/77/158393777.db2.gz IDGRPYOQKMUQSU-ZIAGYGMSSA-N 1 2 318.439 0.338 10 0 DCAELO C[C@H](OC[C@@H]1CCCO1)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172749749 158398268 /nfs/dbraw/zinc/39/82/68/158398268.db2.gz SSUVADASCRUXEZ-KKUMJFAQSA-N 1 2 312.410 0.504 10 0 DCAELO CC(C)CCn1cc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)nn1 ZINC000172769325 158399286 /nfs/dbraw/zinc/39/92/86/158399286.db2.gz OKUXJQZZLWHMHH-AWEZNQCLSA-N 1 2 321.425 0.871 10 0 DCAELO CC(=O)c1cc(C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)n(C)c1 ZINC000176220135 158434046 /nfs/dbraw/zinc/43/40/46/158434046.db2.gz ZORQLDVBXIZOPH-MRXNPFEDSA-N 1 2 323.393 0.041 10 0 DCAELO CN1CC[C@H](C(=O)N2CCCN(c3cccc[nH+]3)CC2)CC1=O ZINC000186395695 158531365 /nfs/dbraw/zinc/53/13/65/158531365.db2.gz VNCSSCJENYUYSQ-AWEZNQCLSA-N 1 2 316.405 0.989 10 0 DCAELO CC(=O)N[C@H](CC(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000194633238 158598820 /nfs/dbraw/zinc/59/88/20/158598820.db2.gz WLCBRBFWYWMKJP-JKSUJKDBSA-N 1 2 319.405 0.701 10 0 DCAELO CC(=O)N[C@H](CC(=O)NC[C@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000194633238 158598822 /nfs/dbraw/zinc/59/88/22/158598822.db2.gz WLCBRBFWYWMKJP-JKSUJKDBSA-N 1 2 319.405 0.701 10 0 DCAELO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC000328602840 159014738 /nfs/dbraw/zinc/01/47/38/159014738.db2.gz HGIFLDCNWIPFEO-STQMWFEESA-N 1 2 315.439 0.152 10 0 DCAELO CC(C)NS(=O)(=O)[C@H]1CC[N@H+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC000328602840 159014740 /nfs/dbraw/zinc/01/47/40/159014740.db2.gz HGIFLDCNWIPFEO-STQMWFEESA-N 1 2 315.439 0.152 10 0 DCAELO Cn1c(-c2ccccn2)nnc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000328648227 159016815 /nfs/dbraw/zinc/01/68/15/159016815.db2.gz AFTWNAACRPESPM-ZDUSSCGKSA-N 1 2 314.393 0.788 10 0 DCAELO O=C(COC[C@@H]1CCOC1)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000328662408 159018477 /nfs/dbraw/zinc/01/84/77/159018477.db2.gz XINHQMOCGUZEGG-UKRRQHHQSA-N 1 2 305.378 0.608 10 0 DCAELO Cn1cc([C@@]2(C)C[N@@H+]([C@H]3CCN(C4CC4)C3=O)CCO2)cn1 ZINC000328684374 159020633 /nfs/dbraw/zinc/02/06/33/159020633.db2.gz WRKDVZOEUFYLDQ-GOEBONIOSA-N 1 2 304.394 0.731 10 0 DCAELO Cn1cc([C@@]2(C)C[N@H+]([C@H]3CCN(C4CC4)C3=O)CCO2)cn1 ZINC000328684374 159020635 /nfs/dbraw/zinc/02/06/35/159020635.db2.gz WRKDVZOEUFYLDQ-GOEBONIOSA-N 1 2 304.394 0.731 10 0 DCAELO COc1cccc(CC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)n1 ZINC000328713837 159023329 /nfs/dbraw/zinc/02/33/29/159023329.db2.gz CUUBJQJBTXUSMQ-HNNXBMFYSA-N 1 2 319.405 0.956 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)CSc3nncs3)C[C@H]21 ZINC000328915037 159040832 /nfs/dbraw/zinc/04/08/32/159040832.db2.gz QOUFYDRYHDLTGT-ZJUUUORDSA-N 1 2 314.436 0.562 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)CSc3nncs3)C[C@H]21 ZINC000328915037 159040834 /nfs/dbraw/zinc/04/08/34/159040834.db2.gz QOUFYDRYHDLTGT-ZJUUUORDSA-N 1 2 314.436 0.562 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(Cc3nnnn3CC(F)(F)F)C[C@H]21 ZINC000328926897 159042762 /nfs/dbraw/zinc/04/27/62/159042762.db2.gz WSFRUBCHISBPFZ-ZJUUUORDSA-N 1 2 320.319 0.140 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(Cc3nnnn3CC(F)(F)F)C[C@H]21 ZINC000328926897 159042766 /nfs/dbraw/zinc/04/27/66/159042766.db2.gz WSFRUBCHISBPFZ-ZJUUUORDSA-N 1 2 320.319 0.140 10 0 DCAELO CN1CCO[C@H]2CC[N@H+](Cc3nnnn3CC(F)(F)F)C[C@H]21 ZINC000328926897 159042767 /nfs/dbraw/zinc/04/27/67/159042767.db2.gz WSFRUBCHISBPFZ-ZJUUUORDSA-N 1 2 320.319 0.140 10 0 DCAELO CN1CCO[C@H]2CC[N@@H+](Cc3nnnn3CC(F)(F)F)C[C@H]21 ZINC000328926897 159042770 /nfs/dbraw/zinc/04/27/70/159042770.db2.gz WSFRUBCHISBPFZ-ZJUUUORDSA-N 1 2 320.319 0.140 10 0 DCAELO CO[C@H]1C[C@@H](C(=O)Nc2ccnn2C[C@@H]2CCOC2)[N@H+](C)C1 ZINC000328968136 159048512 /nfs/dbraw/zinc/04/85/12/159048512.db2.gz UALVNDJAJISBJA-AVGNSLFASA-N 1 2 308.382 0.577 10 0 DCAELO CO[C@H]1C[C@@H](C(=O)Nc2ccnn2C[C@@H]2CCOC2)[N@@H+](C)C1 ZINC000328968136 159048513 /nfs/dbraw/zinc/04/85/13/159048513.db2.gz UALVNDJAJISBJA-AVGNSLFASA-N 1 2 308.382 0.577 10 0 DCAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)Cn1cccnc1=O)C2 ZINC000329427240 159091288 /nfs/dbraw/zinc/09/12/88/159091288.db2.gz JBPHHZJZVGUDPV-UHFFFAOYSA-N 1 2 315.377 0.685 10 0 DCAELO CCN1C[C@H](C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)CC1=O ZINC000329750945 159117358 /nfs/dbraw/zinc/11/73/58/159117358.db2.gz VGLNRDJNZMZXJK-MCIONIFRSA-N 1 2 309.410 0.034 10 0 DCAELO O=C(CSc1nncs1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000329757944 159117401 /nfs/dbraw/zinc/11/74/01/159117401.db2.gz ZSGLHZBFAKCDRT-SNVBAGLBSA-N 1 2 314.436 0.563 10 0 DCAELO Cn1cc(C(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c([C@@H]2CCOC2)n1 ZINC000329885161 159126112 /nfs/dbraw/zinc/12/61/12/159126112.db2.gz UFBAXVSAZYKDPQ-KWCYVHTRSA-N 1 2 320.393 0.079 10 0 DCAELO Cn1cc(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c([C@@H]2CCOC2)n1 ZINC000329885161 159126113 /nfs/dbraw/zinc/12/61/13/159126113.db2.gz UFBAXVSAZYKDPQ-KWCYVHTRSA-N 1 2 320.393 0.079 10 0 DCAELO O=C(c1cnn2ccncc12)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000330011782 159135246 /nfs/dbraw/zinc/13/52/46/159135246.db2.gz JMNHBXOHDNJSJP-LBPRGKRZSA-N 1 2 301.350 0.276 10 0 DCAELO CC(=O)N1CCC[C@@H]1C(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000367083947 159312072 /nfs/dbraw/zinc/31/20/72/159312072.db2.gz JZVXBEWDZHFGMI-LSDHHAIUSA-N 1 2 302.378 0.565 10 0 DCAELO COCCCCS(=O)(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000408015774 160011435 /nfs/dbraw/zinc/01/14/35/160011435.db2.gz FKNRNMDBTHLCTB-CHWSQXEVSA-N 1 2 306.428 0.148 10 0 DCAELO COCCCCS(=O)(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000408015774 160011437 /nfs/dbraw/zinc/01/14/37/160011437.db2.gz FKNRNMDBTHLCTB-CHWSQXEVSA-N 1 2 306.428 0.148 10 0 DCAELO CC(C)OCCS(=O)(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000408016016 160012499 /nfs/dbraw/zinc/01/24/99/160012499.db2.gz HBWPRVORZXMAFT-CHWSQXEVSA-N 1 2 306.428 0.146 10 0 DCAELO CC(C)OCCS(=O)(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000408016016 160012501 /nfs/dbraw/zinc/01/25/01/160012501.db2.gz HBWPRVORZXMAFT-CHWSQXEVSA-N 1 2 306.428 0.146 10 0 DCAELO Cc1nnc2ccc(C(=O)N3CC[C@@H]([NH+]4CCOCC4)C3)cn12 ZINC000408061621 160026670 /nfs/dbraw/zinc/02/66/70/160026670.db2.gz KUAYCGCIKTVFPH-CQSZACIVSA-N 1 2 315.377 0.584 10 0 DCAELO CC(C)(O)C[NH+]1CCN(S(=O)(=O)NC2CCCC2)CC1 ZINC000408207398 160060287 /nfs/dbraw/zinc/06/02/87/160060287.db2.gz RXGFQBJAZJYWRR-UHFFFAOYSA-N 1 2 305.444 0.152 10 0 DCAELO C[C@@H]1C(=O)NCCCN1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000408288150 160076496 /nfs/dbraw/zinc/07/64/96/160076496.db2.gz VXIBWJIITOFFFK-LLVKDONJSA-N 1 2 305.382 0.639 10 0 DCAELO CCN1CCN(C(=O)C2CN(C(C)=O)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000408294691 160078439 /nfs/dbraw/zinc/07/84/39/160078439.db2.gz OHVSZJLCOKHVOW-CYBMUJFWSA-N 1 2 305.382 0.093 10 0 DCAELO CCN(C)S(=O)(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000408365437 160093048 /nfs/dbraw/zinc/09/30/48/160093048.db2.gz GYQCEFDGVDWRLQ-ZDUSSCGKSA-N 1 2 305.444 0.226 10 0 DCAELO CCN(C)S(=O)(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000408365437 160093050 /nfs/dbraw/zinc/09/30/50/160093050.db2.gz GYQCEFDGVDWRLQ-ZDUSSCGKSA-N 1 2 305.444 0.226 10 0 DCAELO O=C(N1CCC(O)(C(F)F)CC1)C1([NH+]2CCOCC2)CCC1 ZINC000408374366 160094576 /nfs/dbraw/zinc/09/45/76/160094576.db2.gz HRFTUGBLTHWWTD-UHFFFAOYSA-N 1 2 318.364 0.860 10 0 DCAELO Cn1cc[nH+]c1[C@H]1CN(C(=O)Nc2ccnn2C)CCN1C ZINC000408393216 160099162 /nfs/dbraw/zinc/09/91/62/160099162.db2.gz HRCUVNVUERUUPA-LLVKDONJSA-N 1 2 303.370 0.674 10 0 DCAELO Cc1oc(C(=O)N2CC[N@@H+](C)C[C@H]2C)cc1S(N)(=O)=O ZINC000408445891 160109508 /nfs/dbraw/zinc/10/95/08/160109508.db2.gz CZVYEXRVJOBABA-MRVPVSSYSA-N 1 2 301.368 0.012 10 0 DCAELO Cc1oc(C(=O)N2CC[N@H+](C)C[C@H]2C)cc1S(N)(=O)=O ZINC000408445891 160109510 /nfs/dbraw/zinc/10/95/10/160109510.db2.gz CZVYEXRVJOBABA-MRVPVSSYSA-N 1 2 301.368 0.012 10 0 DCAELO CCOC[C@H](C)CS(=O)(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000408460818 160113425 /nfs/dbraw/zinc/11/34/25/160113425.db2.gz RLPAOEAOBYYBCW-MJBXVCDLSA-N 1 2 320.455 0.394 10 0 DCAELO CCOC[C@H](C)CS(=O)(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000408460818 160113427 /nfs/dbraw/zinc/11/34/27/160113427.db2.gz RLPAOEAOBYYBCW-MJBXVCDLSA-N 1 2 320.455 0.394 10 0 DCAELO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000245418157 287069242 /nfs/dbraw/zinc/06/92/42/287069242.db2.gz GKTSFKWPPODVNE-HQJQHLMTSA-N 1 2 309.288 0.362 10 0 DCAELO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000245418157 287069245 /nfs/dbraw/zinc/06/92/45/287069245.db2.gz GKTSFKWPPODVNE-HQJQHLMTSA-N 1 2 309.288 0.362 10 0 DCAELO Cn1cc(N2CC[C@H]([N@@H+]3CC[C@@](O)(C(F)(F)F)C3)C2=O)cn1 ZINC000246456325 287083504 /nfs/dbraw/zinc/08/35/04/287083504.db2.gz VPVUCEXULXFXRM-JQWIXIFHSA-N 1 2 318.299 0.525 10 0 DCAELO Cn1cc(N2CC[C@H]([N@H+]3CC[C@@](O)(C(F)(F)F)C3)C2=O)cn1 ZINC000246456325 287083506 /nfs/dbraw/zinc/08/35/06/287083506.db2.gz VPVUCEXULXFXRM-JQWIXIFHSA-N 1 2 318.299 0.525 10 0 DCAELO COCC[N@@H+]1CCN(S(=O)(=O)[C@@H]2CCO[C@H]2C)C[C@H]1C ZINC000248972118 287104648 /nfs/dbraw/zinc/10/46/48/287104648.db2.gz SYLHGBFFLXYCFM-FRRDWIJNSA-N 1 2 306.428 0.146 10 0 DCAELO COCC[N@H+]1CCN(S(=O)(=O)[C@@H]2CCO[C@H]2C)C[C@H]1C ZINC000248972118 287104649 /nfs/dbraw/zinc/10/46/49/287104649.db2.gz SYLHGBFFLXYCFM-FRRDWIJNSA-N 1 2 306.428 0.146 10 0 DCAELO COCC[N@@H+]1CCN(S(=O)(=O)N2CCC[C@H]2C)C[C@@H]1C ZINC000248684612 287099962 /nfs/dbraw/zinc/09/99/62/287099962.db2.gz GTYNQERIYDWFTP-OLZOCXBDSA-N 1 2 305.444 0.368 10 0 DCAELO COCC[N@H+]1CCN(S(=O)(=O)N2CCC[C@H]2C)C[C@@H]1C ZINC000248684612 287099965 /nfs/dbraw/zinc/09/99/65/287099965.db2.gz GTYNQERIYDWFTP-OLZOCXBDSA-N 1 2 305.444 0.368 10 0 DCAELO CC[C@@H]1C[C@@H](C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CC(=O)N1 ZINC000408206779 287268591 /nfs/dbraw/zinc/26/85/91/287268591.db2.gz UQKJOJXXKXHGIB-MGPQQGTHSA-N 1 2 309.410 0.224 10 0 DCAELO C[C@@H](CNC(=O)N(C)CC(=O)NC(C)(C)C)[NH+]1CCOCC1 ZINC000046264843 415258821 /nfs/dbraw/zinc/25/88/21/415258821.db2.gz DWMOLCZDADJYJB-LBPRGKRZSA-N 1 2 314.430 0.263 10 0 DCAELO COc1ccc2c(c1)OC[C@H](C(=O)NC[C@H]1C[N@H+](C)CCO1)C2 ZINC000049993836 415307523 /nfs/dbraw/zinc/30/75/23/415307523.db2.gz SXIHFQUUWOHBBC-HIFRSBDPSA-N 1 2 320.389 0.693 10 0 DCAELO COc1ccc2c(c1)OC[C@H](C(=O)NC[C@H]1C[N@@H+](C)CCO1)C2 ZINC000049993836 415307530 /nfs/dbraw/zinc/30/75/30/415307530.db2.gz SXIHFQUUWOHBBC-HIFRSBDPSA-N 1 2 320.389 0.693 10 0 DCAELO CC[C@H](CO)N1CC[NH+](C[C@H](O)COCc2ccco2)CC1 ZINC000075963004 415449565 /nfs/dbraw/zinc/44/95/65/415449565.db2.gz FPRXCESYAHZHIT-CABCVRRESA-N 1 2 312.410 0.546 10 0 DCAELO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H]1CCO[C@@H]1C1CC1 ZINC000333060694 415545011 /nfs/dbraw/zinc/54/50/11/415545011.db2.gz SFWXRAVPXZBTLA-VHDGCEQUSA-N 1 2 311.426 0.916 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)C[C@H]1C ZINC000333191084 415579138 /nfs/dbraw/zinc/57/91/38/415579138.db2.gz SCSDCGRKQNAAIH-SEBNEYGDSA-N 1 2 316.467 0.892 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)C[C@H]1C ZINC000333191084 415579141 /nfs/dbraw/zinc/57/91/41/415579141.db2.gz SCSDCGRKQNAAIH-SEBNEYGDSA-N 1 2 316.467 0.892 10 0 DCAELO CCCN1C[C@H](C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)CC1=O ZINC000333206714 415583517 /nfs/dbraw/zinc/58/35/17/415583517.db2.gz YZNNOLSAWANZMQ-HZSPNIEDSA-N 1 2 309.410 0.176 10 0 DCAELO CCCN1C[C@H](C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)CC1=O ZINC000333206714 415583524 /nfs/dbraw/zinc/58/35/24/415583524.db2.gz YZNNOLSAWANZMQ-HZSPNIEDSA-N 1 2 309.410 0.176 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cn4ccccc4n3)C[C@@H]21 ZINC000284157424 415593849 /nfs/dbraw/zinc/59/38/49/415593849.db2.gz QSOAKLQPAWLYCO-KBPBESRZSA-N 1 2 300.362 0.879 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)c3cn4ccccc4n3)C[C@@H]21 ZINC000284157424 415593855 /nfs/dbraw/zinc/59/38/55/415593855.db2.gz QSOAKLQPAWLYCO-KBPBESRZSA-N 1 2 300.362 0.879 10 0 DCAELO Cc1cccc(F)c1NC(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000133609402 415949535 /nfs/dbraw/zinc/94/95/35/415949535.db2.gz ASBSVGXEIFYYON-GFCCVEGCSA-N 1 2 311.357 0.949 10 0 DCAELO C[C@@H](C(=O)N1CCS(=O)(=O)[C@H](C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000131837118 415930497 /nfs/dbraw/zinc/93/04/97/415930497.db2.gz MKDRIDHTFNOIKE-XQHKEYJVSA-N 1 2 302.440 0.893 10 0 DCAELO C[C@@H](C(=O)N1CCS(=O)(=O)[C@H](C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000131837118 415930501 /nfs/dbraw/zinc/93/05/01/415930501.db2.gz MKDRIDHTFNOIKE-XQHKEYJVSA-N 1 2 302.440 0.893 10 0 DCAELO Cc1nnc([C@@H]2C[N@H+](Cc3ccc(C(N)=O)cc3)CCO2)[nH]1 ZINC000173681390 416063507 /nfs/dbraw/zinc/06/35/07/416063507.db2.gz LQZBQYYIAIXEGM-ZDUSSCGKSA-N 1 2 301.350 0.786 10 0 DCAELO Cc1nnc([C@@H]2C[N@@H+](Cc3ccc(C(N)=O)cc3)CCO2)[nH]1 ZINC000173681390 416063508 /nfs/dbraw/zinc/06/35/08/416063508.db2.gz LQZBQYYIAIXEGM-ZDUSSCGKSA-N 1 2 301.350 0.786 10 0 DCAELO Cc1nnc([C@H]2C[N@H+](Cc3cccc(C(N)=O)c3)CCO2)[nH]1 ZINC000173672230 416064634 /nfs/dbraw/zinc/06/46/34/416064634.db2.gz JDAVBKAJCCGDBO-CYBMUJFWSA-N 1 2 301.350 0.786 10 0 DCAELO Cc1nnc([C@H]2C[N@@H+](Cc3cccc(C(N)=O)c3)CCO2)[nH]1 ZINC000173672230 416064638 /nfs/dbraw/zinc/06/46/38/416064638.db2.gz JDAVBKAJCCGDBO-CYBMUJFWSA-N 1 2 301.350 0.786 10 0 DCAELO Cc1cc(NC(=O)[C@@H](C)N2CC[C@H]([NH+]3CCOCC3)C2)on1 ZINC000173933057 416070937 /nfs/dbraw/zinc/07/09/37/416070937.db2.gz ZFICJHULVKQHDH-OLZOCXBDSA-N 1 2 308.382 0.717 10 0 DCAELO Cc1cc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](N3CCOCC3)C2)on1 ZINC000173933057 416070944 /nfs/dbraw/zinc/07/09/44/416070944.db2.gz ZFICJHULVKQHDH-OLZOCXBDSA-N 1 2 308.382 0.717 10 0 DCAELO O=C(Nc1cccc(F)c1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000174008902 416072793 /nfs/dbraw/zinc/07/27/93/416072793.db2.gz FBJVKEAKHSDAJL-CQSZACIVSA-N 1 2 321.352 0.697 10 0 DCAELO Cc1nnc(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)[nH]1 ZINC000171549409 416040099 /nfs/dbraw/zinc/04/00/99/416040099.db2.gz MJNRGAUSTGTAFC-UHFFFAOYSA-N 1 2 314.393 0.869 10 0 DCAELO Cc1ccnc(N2CC[NH+]([C@H](C)C(=O)N3CCOCC3)CC2)n1 ZINC000301801678 416091507 /nfs/dbraw/zinc/09/15/07/416091507.db2.gz SUNQVOKPSPGHLX-CQSZACIVSA-N 1 2 319.409 0.154 10 0 DCAELO CNC(=O)[C@H](Nc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1)C(C)C ZINC000301784088 416092079 /nfs/dbraw/zinc/09/20/79/416092079.db2.gz OGMPDHKWWNLRHA-IUODEOHRSA-N 1 2 321.425 0.868 10 0 DCAELO CNC(=O)[C@H](Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)C(C)C ZINC000301784088 416092082 /nfs/dbraw/zinc/09/20/82/416092082.db2.gz OGMPDHKWWNLRHA-IUODEOHRSA-N 1 2 321.425 0.868 10 0 DCAELO Cc1cnn(CCNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000175039348 416094346 /nfs/dbraw/zinc/09/43/46/416094346.db2.gz WXYNWSWTUAZQRV-OAHLLOKOSA-N 1 2 321.425 0.698 10 0 DCAELO C[C@H](CNC(=O)NC[C@](C)(O)c1ccco1)[NH+]1CCOCC1 ZINC000175006859 416094815 /nfs/dbraw/zinc/09/48/15/416094815.db2.gz GVWRAAVLRWCEAZ-DOMZBBRYSA-N 1 2 311.382 0.507 10 0 DCAELO Cc1[nH+]c2ccccc2n1CC(=O)NCCCc1nc(=O)[nH][nH]1 ZINC000176257657 416121589 /nfs/dbraw/zinc/12/15/89/416121589.db2.gz DMJVQICDENYZPM-UHFFFAOYSA-N 1 2 314.349 0.505 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)C[C@H]21 ZINC000328874400 416136492 /nfs/dbraw/zinc/13/64/92/416136492.db2.gz JKAREAARDAWMFP-MGPQQGTHSA-N 1 2 323.437 0.565 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)C[C@H]21 ZINC000328874400 416136495 /nfs/dbraw/zinc/13/64/95/416136495.db2.gz JKAREAARDAWMFP-MGPQQGTHSA-N 1 2 323.437 0.565 10 0 DCAELO Cc1cc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)c2cnn(C)c2n1 ZINC000178645818 416167745 /nfs/dbraw/zinc/16/77/45/416167745.db2.gz CIOPKDZIENMCLM-LBPRGKRZSA-N 1 2 314.393 0.006 10 0 DCAELO COc1ccccc1/C=C/C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178653251 416168319 /nfs/dbraw/zinc/16/83/19/416168319.db2.gz GNSWNAVEEGDTOJ-LQYUOIDQSA-N 1 2 301.390 0.824 10 0 DCAELO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)CC[S@](C)=O)C[C@@H](C)O1 ZINC000179154160 416183600 /nfs/dbraw/zinc/18/36/00/416183600.db2.gz GNWPPUXILCOBDJ-GEBUAUGYSA-N 1 2 316.467 0.855 10 0 DCAELO OC[C@H]1C[C@H](O)C[N@@H+]1Cc1nc(CCc2ccccc2)no1 ZINC000179182770 416185272 /nfs/dbraw/zinc/18/52/72/416185272.db2.gz IOLUTUKQLBNLOA-KGLIPLIRSA-N 1 2 303.362 0.782 10 0 DCAELO OC[C@H]1C[C@H](O)C[N@H+]1Cc1nc(CCc2ccccc2)no1 ZINC000179182770 416185273 /nfs/dbraw/zinc/18/52/73/416185273.db2.gz IOLUTUKQLBNLOA-KGLIPLIRSA-N 1 2 303.362 0.782 10 0 DCAELO Cc1ccc([C@@H]2C[N@H+](Cc3cc(=O)n(C)c(=O)n3C)CCO2)o1 ZINC000179503100 416188326 /nfs/dbraw/zinc/18/83/26/416188326.db2.gz AMLGKEATIPDNCQ-AWEZNQCLSA-N 1 2 319.361 0.559 10 0 DCAELO Cc1ccc([C@@H]2C[N@@H+](Cc3cc(=O)n(C)c(=O)n3C)CCO2)o1 ZINC000179503100 416188328 /nfs/dbraw/zinc/18/83/28/416188328.db2.gz AMLGKEATIPDNCQ-AWEZNQCLSA-N 1 2 319.361 0.559 10 0 DCAELO Cc1nn(C)c(Cl)c1/C=C/C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178611776 416166099 /nfs/dbraw/zinc/16/60/99/416166099.db2.gz ROQFFRPSDSLTSG-PCAWENJQSA-N 1 2 323.828 0.511 10 0 DCAELO C[C@H](CNC(=O)CCC(=O)OC(C)(C)C)[NH+]1CCOCC1 ZINC000192365933 416304954 /nfs/dbraw/zinc/30/49/54/416304954.db2.gz RCRRHACIXQHMOF-GFCCVEGCSA-N 1 2 300.399 0.945 10 0 DCAELO COC(=O)[C@H]([NH2+]CCNC(=O)c1cccc(OC)c1)C1CC1 ZINC000358845222 416284153 /nfs/dbraw/zinc/28/41/53/416284153.db2.gz FUUATVGIRICBKX-CQSZACIVSA-N 1 2 306.362 0.966 10 0 DCAELO C[N@@H+]1CCO[C@H](CNS(=O)(=O)C2=Cc3ccccc3OC2)C1 ZINC000191918934 416291100 /nfs/dbraw/zinc/29/11/00/416291100.db2.gz BQRUIFKOTSJJQL-CYBMUJFWSA-N 1 2 324.402 0.670 10 0 DCAELO C[N@H+]1CCO[C@H](CNS(=O)(=O)C2=Cc3ccccc3OC2)C1 ZINC000191918934 416291104 /nfs/dbraw/zinc/29/11/04/416291104.db2.gz BQRUIFKOTSJJQL-CYBMUJFWSA-N 1 2 324.402 0.670 10 0 DCAELO Cc1c(C(=O)NC[C@@H]2C[N@H+](C)CCO2)cnn1-c1ccccn1 ZINC000194724034 416324444 /nfs/dbraw/zinc/32/44/44/416324444.db2.gz NRXBQXMXHYWHFG-CYBMUJFWSA-N 1 2 315.377 0.636 10 0 DCAELO Cc1c(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)cnn1-c1ccccn1 ZINC000194724034 416324446 /nfs/dbraw/zinc/32/44/46/416324446.db2.gz NRXBQXMXHYWHFG-CYBMUJFWSA-N 1 2 315.377 0.636 10 0 DCAELO CCCCOC[C@@H](O)C[N@@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000195215388 416325512 /nfs/dbraw/zinc/32/55/12/416325512.db2.gz NSDGHJXXNFMQSH-STQMWFEESA-N 1 2 308.444 0.130 10 0 DCAELO CCCCOC[C@@H](O)C[N@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000195215388 416325513 /nfs/dbraw/zinc/32/55/13/416325513.db2.gz NSDGHJXXNFMQSH-STQMWFEESA-N 1 2 308.444 0.130 10 0 DCAELO CCS(=O)(=O)c1ccc(O)c(C(=O)NC[C@H]2CCC[NH2+]2)c1 ZINC000211746478 416326916 /nfs/dbraw/zinc/32/69/16/416326916.db2.gz QMVJRPGKGXPHOO-SNVBAGLBSA-N 1 2 312.391 0.668 10 0 DCAELO C[N@H+](Cc1nccc(N)n1)[C@H]1CCN(C(=O)C2=CCCCO2)C1 ZINC000364657682 416593152 /nfs/dbraw/zinc/59/31/52/416593152.db2.gz JFSXDGCNEUGTBU-LBPRGKRZSA-N 1 2 317.393 0.786 10 0 DCAELO C[N@@H+](Cc1nccc(N)n1)[C@H]1CCN(C(=O)C2=CCCCO2)C1 ZINC000364657682 416593158 /nfs/dbraw/zinc/59/31/58/416593158.db2.gz JFSXDGCNEUGTBU-LBPRGKRZSA-N 1 2 317.393 0.786 10 0 DCAELO Cc1nc(N2CCN(C(=O)[C@H]3CCC[C@@H](O)C3)CC2)cc[nH+]1 ZINC000439724496 416621530 /nfs/dbraw/zinc/62/15/30/416621530.db2.gz ZEFFCQGCRSURSR-UONOGXRCSA-N 1 2 304.394 0.985 10 0 DCAELO CC[C@@H](C)[C@@H](O)CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000557376552 416732914 /nfs/dbraw/zinc/73/29/14/416732914.db2.gz GMSUGQJVUGSWSM-PWSUYJOCSA-N 1 2 304.350 0.796 10 0 DCAELO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)CC(N)=O)c2)CC1 ZINC000444412071 416841292 /nfs/dbraw/zinc/84/12/92/416841292.db2.gz OZIAYFNJCPRWOY-UHFFFAOYSA-N 1 2 318.377 0.165 10 0 DCAELO C[C@](O)(Cn1ccccc1=O)C(=O)NCCNc1cccc[nH+]1 ZINC000447963491 417050504 /nfs/dbraw/zinc/05/05/04/417050504.db2.gz JZRGCYSCJZDMTJ-INIZCTEOSA-N 1 2 316.361 0.223 10 0 DCAELO CC(=O)CCCCCNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632416138 417075373 /nfs/dbraw/zinc/07/53/73/417075373.db2.gz LLPZQWWVGGMEQP-CYBMUJFWSA-N 1 2 306.428 0.386 10 0 DCAELO CC(=O)CCCCCNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632416138 417075382 /nfs/dbraw/zinc/07/53/82/417075382.db2.gz LLPZQWWVGGMEQP-CYBMUJFWSA-N 1 2 306.428 0.386 10 0 DCAELO CCOC(=O)c1cccc([C@H]2CN(S(C)(=O)=O)CC[NH2+]2)c1 ZINC000616653283 417090238 /nfs/dbraw/zinc/09/02/38/417090238.db2.gz KXMLXNQYWGWTGC-CYBMUJFWSA-N 1 2 312.391 0.769 10 0 DCAELO COc1nc(C)ccc1C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000408022150 417131691 /nfs/dbraw/zinc/13/16/91/417131691.db2.gz RJRBNPPOHJLSJD-KBPBESRZSA-N 1 2 305.378 0.944 10 0 DCAELO COc1nc(C)ccc1C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000408022150 417131707 /nfs/dbraw/zinc/13/17/07/417131707.db2.gz RJRBNPPOHJLSJD-KBPBESRZSA-N 1 2 305.378 0.944 10 0 DCAELO CN(C[C@@H]1C[N@H+](C)CCO1)S(=O)(=O)c1ccccc1O ZINC000632631621 417203403 /nfs/dbraw/zinc/20/34/03/417203403.db2.gz CTULLJDSTJSMPM-NSHDSACASA-N 1 2 300.380 0.343 10 0 DCAELO CN(C[C@@H]1C[N@@H+](C)CCO1)S(=O)(=O)c1ccccc1O ZINC000632631621 417203409 /nfs/dbraw/zinc/20/34/09/417203409.db2.gz CTULLJDSTJSMPM-NSHDSACASA-N 1 2 300.380 0.343 10 0 DCAELO CC(C)(C)[C@H]1C[N@H+](CC(=O)N2CCC[C@H](C(N)=O)C2)CCO1 ZINC000408453368 417164323 /nfs/dbraw/zinc/16/43/23/417164323.db2.gz UCIIAZAPMMEKPD-QWHCGFSZSA-N 1 2 311.426 0.457 10 0 DCAELO CC(C)(C)[C@H]1C[N@@H+](CC(=O)N2CCC[C@H](C(N)=O)C2)CCO1 ZINC000408453368 417164330 /nfs/dbraw/zinc/16/43/30/417164330.db2.gz UCIIAZAPMMEKPD-QWHCGFSZSA-N 1 2 311.426 0.457 10 0 DCAELO C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2ncn[nH]2)C1 ZINC000620724169 417269363 /nfs/dbraw/zinc/26/93/63/417269363.db2.gz WXFKZCZEBQXQBQ-AWEZNQCLSA-N 1 2 314.393 0.351 10 0 DCAELO C[C@H](C(=O)N[C@@H](C)COCc1ccccc1)N1CC[NH2+]CC1=O ZINC000638022082 417285920 /nfs/dbraw/zinc/28/59/20/417285920.db2.gz QJUHZOHJOSPJIU-UONOGXRCSA-N 1 2 319.405 0.528 10 0 DCAELO CCOC(=O)[C@@H]1CN(c2[nH+]cnc3c2cnn3C)CC12COC2 ZINC000450569460 417241305 /nfs/dbraw/zinc/24/13/05/417241305.db2.gz WPIPKIVMYSIWJQ-NSHDSACASA-N 1 2 317.349 0.379 10 0 DCAELO CCCn1ncnc1C[N@@H+]1C[C@H](C(=O)OCC)C2(COC2)C1 ZINC000451131640 417303501 /nfs/dbraw/zinc/30/35/01/417303501.db2.gz HMMUWGJNDYBVEW-GFCCVEGCSA-N 1 2 308.382 0.700 10 0 DCAELO CCCn1ncnc1C[N@H+]1C[C@H](C(=O)OCC)C2(COC2)C1 ZINC000451131640 417303507 /nfs/dbraw/zinc/30/35/07/417303507.db2.gz HMMUWGJNDYBVEW-GFCCVEGCSA-N 1 2 308.382 0.700 10 0 DCAELO CN(C)c1[nH+]cccc1NC(=O)CN1CCCC[C@@H](O)C1=O ZINC000644324055 417536812 /nfs/dbraw/zinc/53/68/12/417536812.db2.gz PBYKPCCPMCCNLP-GFCCVEGCSA-N 1 2 306.366 0.460 10 0 DCAELO O=S(=O)(C[C@H]1CCCCO1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173998793 545884214 /nfs/dbraw/zinc/88/42/14/545884214.db2.gz ARFKMILWNNUNRF-UONOGXRCSA-N 1 2 318.439 0.292 10 0 DCAELO O=C(Cn1cnnn1)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000356032925 261384426 /nfs/dbraw/zinc/38/44/26/261384426.db2.gz DDVRMSPBXWFCOD-QWRGUYRKSA-N 1 2 324.385 0.463 10 0 DCAELO O=C(Cn1cnnn1)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000356032925 261384428 /nfs/dbraw/zinc/38/44/28/261384428.db2.gz DDVRMSPBXWFCOD-QWRGUYRKSA-N 1 2 324.385 0.463 10 0 DCAELO C[C@](O)(Cn1ccccc1=O)C(=O)NCCCn1cc[nH+]c1 ZINC000447903499 271804949 /nfs/dbraw/zinc/80/49/49/271804949.db2.gz NIJNSKSRGQGBKJ-HNNXBMFYSA-N 1 2 304.350 0.002 10 0 DCAELO CCOC(=O)[C@H]1C[N@H+](Cc2nc(C3CC3)no2)CC12COC2 ZINC000451129585 271890134 /nfs/dbraw/zinc/89/01/34/271890134.db2.gz CYUDGCQUPFWCND-LLVKDONJSA-N 1 2 307.350 0.959 10 0 DCAELO CCOC(=O)[C@H]1C[N@@H+](Cc2nc(C3CC3)no2)CC12COC2 ZINC000451129585 271890135 /nfs/dbraw/zinc/89/01/35/271890135.db2.gz CYUDGCQUPFWCND-LLVKDONJSA-N 1 2 307.350 0.959 10 0 DCAELO CCN(CC)C(=O)[C@@H](C)[NH+]1CCN(C(C)(C)C(=O)OC)CC1 ZINC000494407533 272221624 /nfs/dbraw/zinc/22/16/24/272221624.db2.gz UTMNAXMNUHZDOK-CYBMUJFWSA-N 1 2 313.442 0.813 10 0 DCAELO CS(=O)(=O)N[C@H]1CC[N@H+](CC(=O)N2CCCCCC2)C1 ZINC000116889535 278114676 /nfs/dbraw/zinc/11/46/76/278114676.db2.gz BCWGGBRECZQJMK-LBPRGKRZSA-N 1 2 303.428 0.013 10 0 DCAELO CS(=O)(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCCCCC2)C1 ZINC000116889535 278114678 /nfs/dbraw/zinc/11/46/78/278114678.db2.gz BCWGGBRECZQJMK-LBPRGKRZSA-N 1 2 303.428 0.013 10 0 DCAELO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000408439944 278401817 /nfs/dbraw/zinc/40/18/17/278401817.db2.gz WTFITSSSZJOQNV-MELADBBJSA-N 1 2 319.471 0.208 10 0 DCAELO Cc1cc(CNC(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)no1 ZINC000550835052 288220260 /nfs/dbraw/zinc/22/02/60/288220260.db2.gz GIDMRUZGDAGDBV-UHFFFAOYSA-N 1 2 317.349 0.729 10 0 DCAELO COc1cnc(C(=O)N(CC2CC2)C[C@H]2C[N@H+](C)CCO2)nc1 ZINC000551900278 288242689 /nfs/dbraw/zinc/24/26/89/288242689.db2.gz GPPSKDWEVIYZCX-CQSZACIVSA-N 1 2 320.393 0.668 10 0 DCAELO COc1cnc(C(=O)N(CC2CC2)C[C@H]2C[N@@H+](C)CCO2)nc1 ZINC000551900278 288242690 /nfs/dbraw/zinc/24/26/90/288242690.db2.gz GPPSKDWEVIYZCX-CQSZACIVSA-N 1 2 320.393 0.668 10 0 DCAELO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1S(=O)(=O)[C@@H]1CCCOC1 ZINC000329054966 297266728 /nfs/dbraw/zinc/26/67/28/297266728.db2.gz HXAHPFQZZJLBLA-MGPQQGTHSA-N 1 2 318.439 0.290 10 0 DCAELO O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N1CCSC[C@H]1CO ZINC000577573582 341919251 /nfs/dbraw/zinc/91/92/51/341919251.db2.gz MCFOUCOIRCEZCT-LLVKDONJSA-N 1 2 320.374 0.209 10 0 DCAELO NS(=O)(=O)c1cccc(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)c1 ZINC000577872368 341945348 /nfs/dbraw/zinc/94/53/48/341945348.db2.gz GYAMFGOVQIQLLV-VIFPVBQESA-N 1 2 305.306 0.270 10 0 DCAELO CCOCCOCCN(C)c1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000190254224 519994292 /nfs/dbraw/zinc/99/42/92/519994292.db2.gz YSJMAZXAKRZMIX-CQSZACIVSA-N 1 2 324.425 0.927 10 0 DCAELO CCOCCOCCN(C)c1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000190254224 519994305 /nfs/dbraw/zinc/99/43/05/519994305.db2.gz YSJMAZXAKRZMIX-CQSZACIVSA-N 1 2 324.425 0.927 10 0 DCAELO CCN1CCC[N@H+](CC(=O)NCc2ccc(OC)cc2)CC1=O ZINC000190210770 521613290 /nfs/dbraw/zinc/61/32/90/521613290.db2.gz CSMCZPQUYKYGPH-UHFFFAOYSA-N 1 2 319.405 0.866 10 0 DCAELO CCN1CCC[N@@H+](CC(=O)NCc2ccc(OC)cc2)CC1=O ZINC000190210770 521613294 /nfs/dbraw/zinc/61/32/94/521613294.db2.gz CSMCZPQUYKYGPH-UHFFFAOYSA-N 1 2 319.405 0.866 10 0 DCAELO COC[C@H]([NH2+][C@H](C)C(=O)N(C)CC(=O)NC1CC1)c1ccco1 ZINC000184546785 522764465 /nfs/dbraw/zinc/76/44/65/522764465.db2.gz OIVZFVCNXXKQOZ-YPMHNXCESA-N 1 2 323.393 0.682 10 0 DCAELO CCc1ccc(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)c(O)c1 ZINC000189404330 523891483 /nfs/dbraw/zinc/89/14/83/523891483.db2.gz MOZDEFLLIAMZHS-CYBMUJFWSA-N 1 2 308.378 0.378 10 0 DCAELO COc1ccc(CNC(=O)C[N@@H+]2CCOC[C@@H]2C[C@@H](C)O)cc1 ZINC000156831039 524050841 /nfs/dbraw/zinc/05/08/41/524050841.db2.gz FXPQCCLCCLLYLX-HIFRSBDPSA-N 1 2 322.405 0.783 10 0 DCAELO COc1ccc(CNC(=O)C[N@H+]2CCOC[C@@H]2C[C@@H](C)O)cc1 ZINC000156831039 524050845 /nfs/dbraw/zinc/05/08/45/524050845.db2.gz FXPQCCLCCLLYLX-HIFRSBDPSA-N 1 2 322.405 0.783 10 0 DCAELO C[C@@H]1CCCN(S(=O)(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000246094775 524240114 /nfs/dbraw/zinc/24/01/14/524240114.db2.gz AICWCJVBJYTHGG-OCCSQVGLSA-N 1 2 317.455 0.416 10 0 DCAELO C[C@@H]1CCCN(S(=O)(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000246094775 524240119 /nfs/dbraw/zinc/24/01/19/524240119.db2.gz AICWCJVBJYTHGG-OCCSQVGLSA-N 1 2 317.455 0.416 10 0 DCAELO C[C@@H](C(=O)Nc1ncccn1)[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000246994984 524285193 /nfs/dbraw/zinc/28/51/93/524285193.db2.gz BEIQXDZCGYTNBN-NWDGAFQWSA-N 1 2 301.354 0.732 10 0 DCAELO C[C@@H](C(=O)Nc1ncccn1)[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000246994984 524285196 /nfs/dbraw/zinc/28/51/96/524285196.db2.gz BEIQXDZCGYTNBN-NWDGAFQWSA-N 1 2 301.354 0.732 10 0 DCAELO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000247400167 524354545 /nfs/dbraw/zinc/35/45/45/524354545.db2.gz RGYLSNRJZQPDBS-UPJWGTAASA-N 1 2 312.414 0.050 10 0 DCAELO C[C@H]1CN(C(=O)c2cccc(C[S@@](C)=O)c2)CC[N@@H+]1CCO ZINC000249786325 524540712 /nfs/dbraw/zinc/54/07/12/524540712.db2.gz DNFMGKLJFBGEBU-WHEQGISXSA-N 1 2 324.446 0.704 10 0 DCAELO C[C@H]1CN(C(=O)c2cccc(C[S@@](C)=O)c2)CC[N@H+]1CCO ZINC000249786325 524540720 /nfs/dbraw/zinc/54/07/20/524540720.db2.gz DNFMGKLJFBGEBU-WHEQGISXSA-N 1 2 324.446 0.704 10 0 DCAELO C[C@H](c1nnnn1C)[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000189139551 526191071 /nfs/dbraw/zinc/19/10/71/526191071.db2.gz NAQLFHJBXKVKSJ-LLVKDONJSA-N 1 2 302.386 0.662 10 0 DCAELO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+](C)Cc1cccnc1 ZINC000132565409 526241258 /nfs/dbraw/zinc/24/12/58/526241258.db2.gz WANPBBDETDHMQS-LBPRGKRZSA-N 1 2 304.394 0.639 10 0 DCAELO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+](C)Cc1cccnc1 ZINC000132565409 526241260 /nfs/dbraw/zinc/24/12/60/526241260.db2.gz WANPBBDETDHMQS-LBPRGKRZSA-N 1 2 304.394 0.639 10 0 DCAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1cc2ccccn2c1 ZINC000128051634 526484111 /nfs/dbraw/zinc/48/41/11/526484111.db2.gz HLWGRDMMJRNXMT-OAHLLOKOSA-N 1 2 303.362 0.362 10 0 DCAELO O=C1CCC(=O)N1CC[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000159295168 526962496 /nfs/dbraw/zinc/96/24/96/526962496.db2.gz OALQJLONTYFWIG-STQMWFEESA-N 1 2 322.361 0.553 10 0 DCAELO O=C1CCC(=O)N1CC[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000159295168 526962498 /nfs/dbraw/zinc/96/24/98/526962498.db2.gz OALQJLONTYFWIG-STQMWFEESA-N 1 2 322.361 0.553 10 0 DCAELO CC(=O)c1ccccc1NC(=O)CN1CC[N@H+](CCO)[C@@H](C)C1 ZINC000187721203 527396249 /nfs/dbraw/zinc/39/62/49/527396249.db2.gz BUCSRWLFBOBZML-ZDUSSCGKSA-N 1 2 319.405 0.826 10 0 DCAELO CC(=O)c1ccccc1NC(=O)CN1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000187721203 527396256 /nfs/dbraw/zinc/39/62/56/527396256.db2.gz BUCSRWLFBOBZML-ZDUSSCGKSA-N 1 2 319.405 0.826 10 0 DCAELO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)CC[C@@H]2CCCO2)CC1 ZINC000123295459 545753799 /nfs/dbraw/zinc/75/37/99/545753799.db2.gz VFCFGACMZXIFJK-KBPBESRZSA-N 1 2 320.455 0.274 10 0 DCAELO O=C(CN1CCC[N@H+](Cc2cncnc2)CC1)N1CCCC1 ZINC000129268877 545782204 /nfs/dbraw/zinc/78/22/04/545782204.db2.gz GGTZJUKJQXAYFZ-UHFFFAOYSA-N 1 2 303.410 0.607 10 0 DCAELO O=C(CN1CCC[N@@H+](Cc2cncnc2)CC1)N1CCCC1 ZINC000129268877 545782209 /nfs/dbraw/zinc/78/22/09/545782209.db2.gz GGTZJUKJQXAYFZ-UHFFFAOYSA-N 1 2 303.410 0.607 10 0 DCAELO CCOc1cc(C(=O)NC[C@H](O)C[NH+]2CCOCC2)ccc1C ZINC000132326005 545793231 /nfs/dbraw/zinc/79/32/31/545793231.db2.gz POYWLJRCSJRRAF-HNNXBMFYSA-N 1 2 322.405 0.817 10 0 DCAELO CCCC(O)(CCC)CC(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000132665337 545793985 /nfs/dbraw/zinc/79/39/85/545793985.db2.gz HDURGONDMNCHKE-CQSZACIVSA-N 1 2 316.442 0.517 10 0 DCAELO Cn1cnnc1[C@H]1CCC[N@@H+]1CCn1nc2ccccn2c1=O ZINC000156596754 545848567 /nfs/dbraw/zinc/84/85/67/545848567.db2.gz IRDNEDHSLAHTEU-GFCCVEGCSA-N 1 2 313.365 0.462 10 0 DCAELO Cn1cnnc1[C@H]1CCC[N@H+]1CCn1nc2ccccn2c1=O ZINC000156596754 545848573 /nfs/dbraw/zinc/84/85/73/545848573.db2.gz IRDNEDHSLAHTEU-GFCCVEGCSA-N 1 2 313.365 0.462 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2cnn(C(C)(C)C)c2)C1 ZINC000178848263 545897249 /nfs/dbraw/zinc/89/72/49/545897249.db2.gz WHNQJZTXIIWGEI-GFCCVEGCSA-N 1 2 323.397 0.023 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2cnn(C(C)(C)C)c2)C1 ZINC000178848263 545897256 /nfs/dbraw/zinc/89/72/56/545897256.db2.gz WHNQJZTXIIWGEI-GFCCVEGCSA-N 1 2 323.397 0.023 10 0 DCAELO C[C@@H]1CN(C(=O)c2ncnc3[nH]ccc32)C[C@H]1[NH+]1CCOCC1 ZINC000669321492 546956202 /nfs/dbraw/zinc/95/62/02/546956202.db2.gz PYCMMWZOAOZPEB-DGCLKSJQSA-N 1 2 315.377 0.702 10 0 DCAELO COC(=O)[C@]1(O)CC[N@H+](C)C[C@H]1NC(=O)OCc1ccccc1 ZINC000685960896 548748951 /nfs/dbraw/zinc/74/89/51/548748951.db2.gz GORRFJVOQULAER-CJNGLKHVSA-N 1 2 322.361 0.521 10 0 DCAELO COC(=O)[C@]1(O)CC[N@@H+](C)C[C@H]1NC(=O)OCc1ccccc1 ZINC000685960896 548748954 /nfs/dbraw/zinc/74/89/54/548748954.db2.gz GORRFJVOQULAER-CJNGLKHVSA-N 1 2 322.361 0.521 10 0 DCAELO CC[C@H]1CN(CCS(=O)(=O)C(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000178222722 657576356 /nfs/dbraw/zinc/57/63/56/657576356.db2.gz JCGQJDWJUGXEFL-KGLIPLIRSA-N 1 2 306.472 0.587 10 0 DCAELO CC[C@H]1CN(CCS(=O)(=O)C(C)C)CC[N@H+]1C[C@@H](C)O ZINC000178222722 657576363 /nfs/dbraw/zinc/57/63/63/657576363.db2.gz JCGQJDWJUGXEFL-KGLIPLIRSA-N 1 2 306.472 0.587 10 0 DCAELO CCCCN(C(=O)C[C@H]([NH3+])C(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000724722462 658930351 /nfs/dbraw/zinc/93/03/51/658930351.db2.gz VVJYUFNEVUEVSS-ZJUUUORDSA-N 1 2 312.382 0.785 10 0 DCAELO CC(=O)N1CSC[C@@H]1C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000729448862 662888837 /nfs/dbraw/zinc/88/88/37/662888837.db2.gz DPDLOZACRMVVOY-NQBHXWOUSA-N 1 2 315.439 0.133 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)[C@@]2(c3ccccc3)C[C@@H](O)C2)C1 ZINC000900439012 663244353 /nfs/dbraw/zinc/24/43/53/663244353.db2.gz NXVVGYVEOYZSBG-INMHGKMJSA-N 1 2 304.390 0.526 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)[C@@]2(c3ccccc3)C[C@@H](O)C2)C1 ZINC000900439012 663244355 /nfs/dbraw/zinc/24/43/55/663244355.db2.gz NXVVGYVEOYZSBG-INMHGKMJSA-N 1 2 304.390 0.526 10 0 DCAELO C/C(=C\C(=O)N1CC[C@H](n2ccnn2)C1)C[NH+]1CCOCC1 ZINC000911823589 664112899 /nfs/dbraw/zinc/11/28/99/664112899.db2.gz QZIXBKXCVVEEOE-UELRPHRMSA-N 1 2 305.382 0.330 10 0 DCAELO CCOC(=O)c1cnn(CN2CC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000133287580 669795279 /nfs/dbraw/zinc/79/52/79/669795279.db2.gz CAHRDBWUOGMUCK-AWEZNQCLSA-N 1 2 308.382 0.424 10 0 DCAELO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1cn(C)nc1Br ZINC000712448982 670148962 /nfs/dbraw/zinc/14/89/62/670148962.db2.gz SFIHQZXSNQTXIH-ZETCQYMHSA-N 1 2 310.217 0.705 10 0 DCAELO Cn1cc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)c(Br)n1 ZINC000714082312 670177489 /nfs/dbraw/zinc/17/74/89/670177489.db2.gz NZWMEKASSGZKKA-NXEZZACHSA-N 1 2 304.188 0.358 10 0 DCAELO Cn1cc(C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)c(Br)n1 ZINC000714082312 670177490 /nfs/dbraw/zinc/17/74/90/670177490.db2.gz NZWMEKASSGZKKA-NXEZZACHSA-N 1 2 304.188 0.358 10 0 DCAELO Cn1cc([C@H]2CC[N@H+](CN3C(=O)N[C@@](C)(C4CC4)C3=O)C2)cn1 ZINC000116257357 671030278 /nfs/dbraw/zinc/03/02/78/671030278.db2.gz JZABDWKBWCVVSD-ZBEGNZNMSA-N 1 2 317.393 0.887 10 0 DCAELO Cn1cc([C@H]2CC[N@@H+](CN3C(=O)N[C@@](C)(C4CC4)C3=O)C2)cn1 ZINC000116257357 671030284 /nfs/dbraw/zinc/03/02/84/671030284.db2.gz JZABDWKBWCVVSD-ZBEGNZNMSA-N 1 2 317.393 0.887 10 0 DCAELO CC(C)[C@]1(C)CC(=O)N(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)C1=O ZINC000246791176 685166809 /nfs/dbraw/zinc/16/68/09/685166809.db2.gz ALSJXUNKLLCNPD-PBHICJAKSA-N 1 2 323.437 0.772 10 0 DCAELO CC(C)[C@]1(C)CC(=O)N(C[N@H+]2CC[C@@H](N3CCOCC3)C2)C1=O ZINC000246791176 685166814 /nfs/dbraw/zinc/16/68/14/685166814.db2.gz ALSJXUNKLLCNPD-PBHICJAKSA-N 1 2 323.437 0.772 10 0 DCAELO CC(C)[C@]1(C)CC(=O)N(CN2CC[C@@H]([NH+]3CCOCC3)C2)C1=O ZINC000246791176 685166817 /nfs/dbraw/zinc/16/68/17/685166817.db2.gz ALSJXUNKLLCNPD-PBHICJAKSA-N 1 2 323.437 0.772 10 0 DCAELO CCCC[C@@H]1NC(=O)N(CN2CC[C@@H]([NH+]3CCOCC3)C2)C1=O ZINC000247251833 685171175 /nfs/dbraw/zinc/17/11/75/685171175.db2.gz YWYAEAJRIOWDQB-KGLIPLIRSA-N 1 2 324.425 0.461 10 0 DCAELO CCCC[C@@H]1NC(=O)N(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)C1=O ZINC000247251833 685171177 /nfs/dbraw/zinc/17/11/77/685171177.db2.gz YWYAEAJRIOWDQB-KGLIPLIRSA-N 1 2 324.425 0.461 10 0 DCAELO CCCC[C@@H]1NC(=O)N(C[N@H+]2CC[C@@H](N3CCOCC3)C2)C1=O ZINC000247251833 685171178 /nfs/dbraw/zinc/17/11/78/685171178.db2.gz YWYAEAJRIOWDQB-KGLIPLIRSA-N 1 2 324.425 0.461 10 0 DCAELO CCOc1ccc(S(=O)(=O)N2CC[NH+](C3CC3)CC2)cn1 ZINC000181245513 199271005 /nfs/dbraw/zinc/27/10/05/199271005.db2.gz YQXOJKGSEDZUFZ-UHFFFAOYSA-N 1 2 311.407 0.949 10 0 DCAELO CNC(=O)[C@H]1CCCN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000154957208 529923634 /nfs/dbraw/zinc/92/36/34/529923634.db2.gz GFTVFVWXIFDOIC-GFCCVEGCSA-N 1 2 312.414 0.017 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2cccnc2Cl)C1 ZINC000179728962 186211507 /nfs/dbraw/zinc/21/15/07/186211507.db2.gz CNDDHIKAIHFMFC-SECBINFHSA-N 1 2 312.757 0.120 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2cccnc2Cl)C1 ZINC000179728962 186211509 /nfs/dbraw/zinc/21/15/09/186211509.db2.gz CNDDHIKAIHFMFC-SECBINFHSA-N 1 2 312.757 0.120 10 0 DCAELO O=C(NCCCn1cc[nH+]c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000171896866 198003381 /nfs/dbraw/zinc/00/33/81/198003381.db2.gz CUYVWEWAOJBFNT-AWEZNQCLSA-N 1 2 318.381 0.580 10 0 DCAELO C[C@H]1CN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CCS1(=O)=O ZINC000172373760 198088233 /nfs/dbraw/zinc/08/82/33/198088233.db2.gz UPXYIWNPYZLIFF-ZFWWWQNUSA-N 1 2 324.446 0.805 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cn[nH]c2)nc[nH+]1 ZINC000173426458 198213059 /nfs/dbraw/zinc/21/30/59/198213059.db2.gz OIISWQICJQBFBN-LLVKDONJSA-N 1 2 301.354 0.640 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cn[nH]c2)[nH+]cn1 ZINC000173426458 198213061 /nfs/dbraw/zinc/21/30/61/198213061.db2.gz OIISWQICJQBFBN-LLVKDONJSA-N 1 2 301.354 0.640 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cnsn2)nc[nH+]1 ZINC000173426806 198213815 /nfs/dbraw/zinc/21/38/15/198213815.db2.gz OUDQZEROKOBEGN-VIFPVBQESA-N 1 2 319.394 0.769 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cnsn2)[nH+]cn1 ZINC000173426806 198213817 /nfs/dbraw/zinc/21/38/17/198213817.db2.gz OUDQZEROKOBEGN-VIFPVBQESA-N 1 2 319.394 0.769 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccc(C(N)=O)c3)C[C@H]21 ZINC000284545805 283027880 /nfs/dbraw/zinc/02/78/80/283027880.db2.gz DHWYSBWACKZOHB-KGLIPLIRSA-N 1 2 303.362 0.331 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)c3cccc(C(N)=O)c3)C[C@H]21 ZINC000284545805 283027881 /nfs/dbraw/zinc/02/78/81/283027881.db2.gz DHWYSBWACKZOHB-KGLIPLIRSA-N 1 2 303.362 0.331 10 0 DCAELO CN(C)C(=O)CCCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177447561 198726013 /nfs/dbraw/zinc/72/60/13/198726013.db2.gz RAPGOKYNZRRKTK-CYBMUJFWSA-N 1 2 307.398 0.926 10 0 DCAELO CC[C@H](CO)[NH+]1CCN(C(=O)[C@H]2CCCc3[nH]ncc32)CC1 ZINC000179414105 199030900 /nfs/dbraw/zinc/03/09/00/199030900.db2.gz JWLOSCDUTWMSPF-OLZOCXBDSA-N 1 2 306.410 0.745 10 0 DCAELO O=C(c1nccn1C[C@H](O)C[NH+]1CCOCC1)c1cccnc1 ZINC000186763247 237320417 /nfs/dbraw/zinc/32/04/17/237320417.db2.gz GEIUMPMHVQUVMO-CQSZACIVSA-N 1 2 316.361 0.202 10 0 DCAELO C[C@H]1CN(S(=O)(=O)Cc2cccc(F)c2)CC[N@@H+]1CCO ZINC000188722493 200294516 /nfs/dbraw/zinc/29/45/16/200294516.db2.gz YCRVAYIGRBKECL-LBPRGKRZSA-N 1 2 316.398 0.654 10 0 DCAELO C[C@H]1CN(S(=O)(=O)Cc2cccc(F)c2)CC[N@H+]1CCO ZINC000188722493 200294518 /nfs/dbraw/zinc/29/45/18/200294518.db2.gz YCRVAYIGRBKECL-LBPRGKRZSA-N 1 2 316.398 0.654 10 0 DCAELO Cc1cccc(S(=O)(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1F ZINC000188728764 200295524 /nfs/dbraw/zinc/29/55/24/200295524.db2.gz PGAQNJFPCYIXDJ-GFCCVEGCSA-N 1 2 316.398 0.821 10 0 DCAELO Cc1cccc(S(=O)(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1F ZINC000188728764 200295526 /nfs/dbraw/zinc/29/55/26/200295526.db2.gz PGAQNJFPCYIXDJ-GFCCVEGCSA-N 1 2 316.398 0.821 10 0 DCAELO C[C@@]1(C(=O)N2CC[NH+](Cc3ccco3)CC2)CCC(=O)NC1 ZINC000281164181 216124397 /nfs/dbraw/zinc/12/43/97/216124397.db2.gz HGPONVWXAYKNQC-MRXNPFEDSA-N 1 2 305.378 0.840 10 0 DCAELO O=C(c1n[nH]c2c1C[NH2+]CC2)N1CCN(CC(F)(F)F)CC1 ZINC000188702791 296159453 /nfs/dbraw/zinc/15/94/53/296159453.db2.gz SKXDHRQEKSINMU-UHFFFAOYSA-N 1 2 317.315 0.376 10 0 DCAELO CNc1[nH+]cnc2c1cnn2Cc1nnnn1CC(F)(F)F ZINC000194421841 533090209 /nfs/dbraw/zinc/09/02/09/533090209.db2.gz HFWKRKJTRDOUBX-UHFFFAOYSA-N 1 2 313.247 0.465 10 0 DCAELO C[C@@H]1CCCN(S(=O)(=O)CCC[NH+]2CCOCC2)[C@H]1CO ZINC000408243340 296392912 /nfs/dbraw/zinc/39/29/12/296392912.db2.gz GJGDBKKNTXLWLQ-KGLIPLIRSA-N 1 2 320.455 0.131 10 0 DCAELO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)C2(C)CC2)CC1 ZINC000157265369 533209934 /nfs/dbraw/zinc/20/99/34/533209934.db2.gz NOARAMQLIFQLIY-ZDUSSCGKSA-N 1 2 309.410 0.178 10 0 DCAELO CN(C)C(=O)CN1C(=O)C[C@@H]2[C@H]1CC[N@@H+]2Cc1nccs1 ZINC000248037478 257111039 /nfs/dbraw/zinc/11/10/39/257111039.db2.gz VAFZAZFDKMKTMK-GHMZBOCLSA-N 1 2 308.407 0.407 10 0 DCAELO CN(C)C(=O)CN1C(=O)C[C@@H]2[C@H]1CC[N@H+]2Cc1nccs1 ZINC000248037478 257111041 /nfs/dbraw/zinc/11/10/41/257111041.db2.gz VAFZAZFDKMKTMK-GHMZBOCLSA-N 1 2 308.407 0.407 10 0 DCAELO C[C@@H]1OCC[C@@H]1NC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000275569587 130337592 /nfs/dbraw/zinc/33/75/92/130337592.db2.gz ISUPUWWTSILEOR-AVGNSLFASA-N 1 2 307.398 0.596 10 0 DCAELO CN(C)C(=O)COC[C@@H]1C[N@H+](Cc2cncnc2)CC(C)(C)O1 ZINC000284504165 131087215 /nfs/dbraw/zinc/08/72/15/131087215.db2.gz INDVJLLUDLLDLQ-AWEZNQCLSA-N 1 2 322.409 0.561 10 0 DCAELO CN(C)C(=O)COC[C@@H]1C[N@@H+](Cc2cncnc2)CC(C)(C)O1 ZINC000284504165 131087217 /nfs/dbraw/zinc/08/72/17/131087217.db2.gz INDVJLLUDLLDLQ-AWEZNQCLSA-N 1 2 322.409 0.561 10 0 DCAELO CN(C)C(=O)COC[C@@H]1C[N@H+](Cc2cncn2C)CC(C)(C)O1 ZINC000284626890 131098575 /nfs/dbraw/zinc/09/85/75/131098575.db2.gz UGYAVWFTOAPLTN-AWEZNQCLSA-N 1 2 324.425 0.504 10 0 DCAELO CN(C)C(=O)COC[C@@H]1C[N@@H+](Cc2cncn2C)CC(C)(C)O1 ZINC000284626890 131098577 /nfs/dbraw/zinc/09/85/77/131098577.db2.gz UGYAVWFTOAPLTN-AWEZNQCLSA-N 1 2 324.425 0.504 10 0 DCAELO CN(C)C(=O)COC[C@H]1C[N@H+](Cc2cc[nH]n2)CC(C)(C)O1 ZINC000284663808 131101848 /nfs/dbraw/zinc/10/18/48/131101848.db2.gz YCEHHRKIGWMQEM-CYBMUJFWSA-N 1 2 310.398 0.494 10 0 DCAELO CN(C)C(=O)COC[C@H]1C[N@@H+](Cc2cc[nH]n2)CC(C)(C)O1 ZINC000284663808 131101849 /nfs/dbraw/zinc/10/18/49/131101849.db2.gz YCEHHRKIGWMQEM-CYBMUJFWSA-N 1 2 310.398 0.494 10 0 DCAELO Cc1c(CNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)cnn1C ZINC000285422516 131166503 /nfs/dbraw/zinc/16/65/03/131166503.db2.gz NHRHAGKZRGYXND-ZIAGYGMSSA-N 1 2 307.398 0.343 10 0 DCAELO Cc1c(CNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)cnn1C ZINC000285422516 131166505 /nfs/dbraw/zinc/16/65/05/131166505.db2.gz NHRHAGKZRGYXND-ZIAGYGMSSA-N 1 2 307.398 0.343 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3nc4ccccn4n3)C[C@H]21 ZINC000285431660 131167817 /nfs/dbraw/zinc/16/78/17/131167817.db2.gz JFDJMMZPSCMJKR-VXGBXAGGSA-N 1 2 316.365 0.666 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3nc4ccccn4n3)C[C@H]21 ZINC000285431660 131167818 /nfs/dbraw/zinc/16/78/18/131167818.db2.gz JFDJMMZPSCMJKR-VXGBXAGGSA-N 1 2 316.365 0.666 10 0 DCAELO C[C@H]1CC[N@H+](CC(=O)N2CC(=O)Nc3ccccc32)C[C@@H]1O ZINC000093344448 395738272 /nfs/dbraw/zinc/73/82/72/395738272.db2.gz KTVNCIBDUFPNHB-FZMZJTMJSA-N 1 2 303.362 0.674 10 0 DCAELO C[C@H]1CC[N@@H+](CC(=O)N2CC(=O)Nc3ccccc32)C[C@@H]1O ZINC000093344448 395738274 /nfs/dbraw/zinc/73/82/74/395738274.db2.gz KTVNCIBDUFPNHB-FZMZJTMJSA-N 1 2 303.362 0.674 10 0 DCAELO Cc1ccc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCOCC2)c(F)c1 ZINC000041601080 395738674 /nfs/dbraw/zinc/73/86/74/395738674.db2.gz QJFIJIBQRVSUBD-GFCCVEGCSA-N 1 2 323.368 0.910 10 0 DCAELO CC(C)c1nc(N2CCC[C@@H](c3nn[nH]n3)C2)nc(N(C)C)[nH+]1 ZINC000097234754 395756657 /nfs/dbraw/zinc/75/66/57/395756657.db2.gz CILNSSFSQANUOA-SNVBAGLBSA-N 1 2 317.401 0.958 10 0 DCAELO CC(C)c1nc(N(C)C)nc(N2CCC[C@@H](c3nn[nH]n3)C2)[nH+]1 ZINC000097234754 395756659 /nfs/dbraw/zinc/75/66/59/395756659.db2.gz CILNSSFSQANUOA-SNVBAGLBSA-N 1 2 317.401 0.958 10 0 DCAELO Cc1nc2ccccc2n1CC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000194723399 395805507 /nfs/dbraw/zinc/80/55/07/395805507.db2.gz QWSPCVPJACAASX-ZDUSSCGKSA-N 1 2 302.378 0.792 10 0 DCAELO Cc1nc2ccccc2n1CC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000194723399 395805510 /nfs/dbraw/zinc/80/55/10/395805510.db2.gz QWSPCVPJACAASX-ZDUSSCGKSA-N 1 2 302.378 0.792 10 0 DCAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NCC(=O)N(C)C)C2 ZINC000112740741 395823062 /nfs/dbraw/zinc/82/30/62/395823062.db2.gz HPCVINTVOSYWTC-UHFFFAOYSA-N 1 2 307.398 0.699 10 0 DCAELO CCn1cnnc1[C@@H]1CCC[N@H+](CC(=O)Nc2nncs2)C1 ZINC000195520211 395831604 /nfs/dbraw/zinc/83/16/04/395831604.db2.gz USJXNZYQNFYAHB-SNVBAGLBSA-N 1 2 321.410 0.968 10 0 DCAELO CCn1cnnc1[C@@H]1CCC[N@@H+](CC(=O)Nc2nncs2)C1 ZINC000195520211 395831607 /nfs/dbraw/zinc/83/16/07/395831607.db2.gz USJXNZYQNFYAHB-SNVBAGLBSA-N 1 2 321.410 0.968 10 0 DCAELO Cc1nn[nH]c1C(=O)NC[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000225486280 395860673 /nfs/dbraw/zinc/86/06/73/395860673.db2.gz ZUZSJQNMAIIVEX-ZFWWWQNUSA-N 1 2 315.377 0.915 10 0 DCAELO Cc1nn[nH]c1C(=O)NC[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000225486280 395860677 /nfs/dbraw/zinc/86/06/77/395860677.db2.gz ZUZSJQNMAIIVEX-ZFWWWQNUSA-N 1 2 315.377 0.915 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2cccc3[nH]ccc32)C1 ZINC000126402927 395912905 /nfs/dbraw/zinc/91/29/05/395912905.db2.gz XVQBWQBUBIUOSX-LLVKDONJSA-N 1 2 316.361 0.553 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2cccc3[nH]ccc32)C1 ZINC000126402927 395912908 /nfs/dbraw/zinc/91/29/08/395912908.db2.gz XVQBWQBUBIUOSX-LLVKDONJSA-N 1 2 316.361 0.553 10 0 DCAELO COc1ccc(-c2nnc(CNC(=O)[C@@H]3COCC[NH2+]3)[nH]2)cc1 ZINC000237482087 395913292 /nfs/dbraw/zinc/91/32/92/395913292.db2.gz WVGWEQCCSUFPAJ-LBPRGKRZSA-N 1 2 317.349 0.085 10 0 DCAELO COc1ccc(-c2n[nH]c(CNC(=O)[C@@H]3COCC[NH2+]3)n2)cc1 ZINC000237482087 395913295 /nfs/dbraw/zinc/91/32/95/395913295.db2.gz WVGWEQCCSUFPAJ-LBPRGKRZSA-N 1 2 317.349 0.085 10 0 DCAELO CN1C(=O)C[C@@H]([N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)C1=O ZINC000245550893 395932158 /nfs/dbraw/zinc/93/21/58/395932158.db2.gz OUOZUUXUOKJHBS-PBHICJAKSA-N 1 2 300.358 0.918 10 0 DCAELO CN1C(=O)C[C@@H]([N@H+]2CCO[C@@]3(CCc4ccccc43)C2)C1=O ZINC000245550893 395932161 /nfs/dbraw/zinc/93/21/61/395932161.db2.gz OUOZUUXUOKJHBS-PBHICJAKSA-N 1 2 300.358 0.918 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)Cn2cc(-c3ccccc3)nn2)C1 ZINC000135441792 395940617 /nfs/dbraw/zinc/94/06/17/395940617.db2.gz KGTRHUSDWMJWNE-CQSZACIVSA-N 1 2 315.377 0.392 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)Cn2cc(-c3ccccc3)nn2)C1 ZINC000135441792 395940618 /nfs/dbraw/zinc/94/06/18/395940618.db2.gz KGTRHUSDWMJWNE-CQSZACIVSA-N 1 2 315.377 0.392 10 0 DCAELO Cc1nnc([C@H]2C[N@H+](C[C@@H](O)COc3ccccc3)CCO2)[nH]1 ZINC000247240943 395969846 /nfs/dbraw/zinc/96/98/46/395969846.db2.gz XXPLRYYOOXQQIW-UKRRQHHQSA-N 1 2 318.377 0.926 10 0 DCAELO Cc1nnc([C@H]2C[N@@H+](C[C@@H](O)COc3ccccc3)CCO2)[nH]1 ZINC000247240943 395969849 /nfs/dbraw/zinc/96/98/49/395969849.db2.gz XXPLRYYOOXQQIW-UKRRQHHQSA-N 1 2 318.377 0.926 10 0 DCAELO Cc1cc(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)ccc1C(N)=O ZINC000150934812 395975656 /nfs/dbraw/zinc/97/56/56/395975656.db2.gz MOWNHVLYHXXTCH-GFCCVEGCSA-N 1 2 306.366 0.546 10 0 DCAELO Cc1cc(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)ccc1C(N)=O ZINC000150934812 395975657 /nfs/dbraw/zinc/97/56/57/395975657.db2.gz MOWNHVLYHXXTCH-GFCCVEGCSA-N 1 2 306.366 0.546 10 0 DCAELO O=C(CCC(=O)c1ccccc1)NC[C@H](O)C[NH+]1CCOCC1 ZINC000154132285 396032120 /nfs/dbraw/zinc/03/21/20/396032120.db2.gz CWEPKJCJJPOXKH-HNNXBMFYSA-N 1 2 320.389 0.459 10 0 DCAELO O=C(N[C@H]1CCN(Cc2ccccc2)C1=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000261856630 396072621 /nfs/dbraw/zinc/07/26/21/396072621.db2.gz ABACTNGNANVSDR-QWHCGFSZSA-N 1 2 323.343 0.901 10 0 DCAELO Cc1cc(C)n2nc(SC[C@@H](O)C[NH+]3CCOCC3)nc2n1 ZINC000066237649 396003618 /nfs/dbraw/zinc/00/36/18/396003618.db2.gz HUVXEEFHJDJGHP-LBPRGKRZSA-N 1 2 323.422 0.526 10 0 DCAELO CN(C)C(=O)c1ccc(C(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)cc1 ZINC000152820172 396016739 /nfs/dbraw/zinc/01/67/39/396016739.db2.gz MENJYIFUDWRGFD-LSDHHAIUSA-N 1 2 317.389 0.543 10 0 DCAELO CN(C)C(=O)c1ccc(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)cc1 ZINC000152820172 396016742 /nfs/dbraw/zinc/01/67/42/396016742.db2.gz MENJYIFUDWRGFD-LSDHHAIUSA-N 1 2 317.389 0.543 10 0 DCAELO CC1(C)COCC[N@@H+]1CCn1c(=O)[nH]c2ccccc2c1=O ZINC000170883615 396100181 /nfs/dbraw/zinc/10/01/81/396100181.db2.gz LZZNJQUIMIYHPK-UHFFFAOYSA-N 1 2 303.362 0.801 10 0 DCAELO CC1(C)COCC[N@H+]1CCn1c(=O)[nH]c2ccccc2c1=O ZINC000170883615 396100183 /nfs/dbraw/zinc/10/01/83/396100183.db2.gz LZZNJQUIMIYHPK-UHFFFAOYSA-N 1 2 303.362 0.801 10 0 DCAELO Cc1cc(S(=O)(=O)NC[C@H]2C[N@H+](C)CCO2)c(F)cc1F ZINC000175791160 396142238 /nfs/dbraw/zinc/14/22/38/396142238.db2.gz HUNGHLHXAFWCBN-JTQLQIEISA-N 1 2 320.361 0.882 10 0 DCAELO CC(C)C(=O)N1CCN(c2nc3c(cnn3C)c(N)[nH+]2)CC1 ZINC000278192578 396111993 /nfs/dbraw/zinc/11/19/93/396111993.db2.gz DQMXMEAECBNWDA-UHFFFAOYSA-N 1 2 303.370 0.250 10 0 DCAELO COc1ccnc(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)c1 ZINC000173880146 396136250 /nfs/dbraw/zinc/13/62/50/396136250.db2.gz BTCVEKQSSCVJFG-SWLSCSKDSA-N 1 2 305.378 0.883 10 0 DCAELO Cc1cccc2[nH+]c(CNC(=O)N3CCNC(=O)CC3)cn21 ZINC000069479789 396080575 /nfs/dbraw/zinc/08/05/75/396080575.db2.gz VTNDFHKSNJHUMW-UHFFFAOYSA-N 1 2 301.350 0.674 10 0 DCAELO C[C@@H](NC(N)=O)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279018046 396146571 /nfs/dbraw/zinc/14/65/71/396146571.db2.gz VINSSTDFPDMLKN-LLVKDONJSA-N 1 2 319.409 0.982 10 0 DCAELO CN(C)c1nc(N)nc(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)n1 ZINC000178835508 396210718 /nfs/dbraw/zinc/21/07/18/396210718.db2.gz GLUTYHOQCYGSAP-JTQLQIEISA-N 1 2 322.413 0.683 10 0 DCAELO CN(C)c1nc(N)nc(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)n1 ZINC000178835508 396210720 /nfs/dbraw/zinc/21/07/20/396210720.db2.gz GLUTYHOQCYGSAP-JTQLQIEISA-N 1 2 322.413 0.683 10 0 DCAELO C[C@@H](CS(C)(=O)=O)NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177519601 396178163 /nfs/dbraw/zinc/17/81/63/396178163.db2.gz SIEHDAWFSNPGBL-NWDGAFQWSA-N 1 2 314.411 0.490 10 0 DCAELO CC(C)N1C(=O)CN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1(C)C ZINC000263014755 396197617 /nfs/dbraw/zinc/19/76/17/396197617.db2.gz QFOSZYZKTHLURZ-SNVBAGLBSA-N 1 2 303.353 0.841 10 0 DCAELO O=C(N[C@H]1CCN(c2ccccc2)C1=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263171293 396204473 /nfs/dbraw/zinc/20/44/73/396204473.db2.gz FTBRQQIMXYZVTL-NWDGAFQWSA-N 1 2 309.316 0.905 10 0 DCAELO Cc1cnn(C[C@H]2CN(C(=O)[C@H]3CC(F)(F)C[NH2+]3)CCO2)c1 ZINC000263317308 396213410 /nfs/dbraw/zinc/21/34/10/396213410.db2.gz ZRLYHOSJCJPIDC-VXGBXAGGSA-N 1 2 314.336 0.416 10 0 DCAELO CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2cc(OC)ncn2)CC1 ZINC000184064118 396283497 /nfs/dbraw/zinc/28/34/97/396283497.db2.gz GJFUGIUWZJPQMD-STQMWFEESA-N 1 2 321.425 0.910 10 0 DCAELO Cc1nc(C)c(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)nc1C ZINC000184000033 396280881 /nfs/dbraw/zinc/28/08/81/396280881.db2.gz OVLINYIWQILRDZ-CQSZACIVSA-N 1 2 304.394 0.995 10 0 DCAELO Cc1nc(C)c(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)nc1C ZINC000184000033 396280885 /nfs/dbraw/zinc/28/08/85/396280885.db2.gz OVLINYIWQILRDZ-CQSZACIVSA-N 1 2 304.394 0.995 10 0 DCAELO COCC[N@H+](CC(=O)N(C)C)Cc1cc(-c2cnn(C)c2)no1 ZINC000184983167 396312499 /nfs/dbraw/zinc/31/24/99/396312499.db2.gz JYSOLZCTXNCQPB-UHFFFAOYSA-N 1 2 321.381 0.612 10 0 DCAELO COCC[N@@H+](CC(=O)N(C)C)Cc1cc(-c2cnn(C)c2)no1 ZINC000184983167 396312502 /nfs/dbraw/zinc/31/25/02/396312502.db2.gz JYSOLZCTXNCQPB-UHFFFAOYSA-N 1 2 321.381 0.612 10 0 DCAELO COc1cc(N2CC[NH+](CC(=O)N[C@H](C)C(C)C)CC2)ncn1 ZINC000184073643 396283940 /nfs/dbraw/zinc/28/39/40/396283940.db2.gz RQTMQHIFBWFYGQ-CYBMUJFWSA-N 1 2 321.425 0.768 10 0 DCAELO CCCNC(=O)CNC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186300796 396347662 /nfs/dbraw/zinc/34/76/62/396347662.db2.gz OKXARVORGMWZIA-UHFFFAOYSA-N 1 2 319.409 0.830 10 0 DCAELO COCc1ccccc1CNC(=O)C[N@@H+]1CCCNC(=O)[C@H]1C ZINC000189274782 396392758 /nfs/dbraw/zinc/39/27/58/396392758.db2.gz HYBMGRAIDNVMSY-CYBMUJFWSA-N 1 2 319.405 0.660 10 0 DCAELO COCc1ccccc1CNC(=O)C[N@H+]1CCCNC(=O)[C@H]1C ZINC000189274782 396392761 /nfs/dbraw/zinc/39/27/61/396392761.db2.gz HYBMGRAIDNVMSY-CYBMUJFWSA-N 1 2 319.405 0.660 10 0 DCAELO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000190837053 396411684 /nfs/dbraw/zinc/41/16/84/396411684.db2.gz JCOJXCFPACWADS-CYBMUJFWSA-N 1 2 316.427 0.282 10 0 DCAELO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000190837053 396411687 /nfs/dbraw/zinc/41/16/87/396411687.db2.gz JCOJXCFPACWADS-CYBMUJFWSA-N 1 2 316.427 0.282 10 0 DCAELO COCCN1CCC[N@@H+]([C@H](C)C(=O)NC2CCCC2)CC1=O ZINC000190803936 396411852 /nfs/dbraw/zinc/41/18/52/396411852.db2.gz LATKMEUCZCYHAI-CYBMUJFWSA-N 1 2 311.426 0.614 10 0 DCAELO COCCN1CCC[N@H+]([C@H](C)C(=O)NC2CCCC2)CC1=O ZINC000190803936 396411855 /nfs/dbraw/zinc/41/18/55/396411855.db2.gz LATKMEUCZCYHAI-CYBMUJFWSA-N 1 2 311.426 0.614 10 0 DCAELO C[C@@H](C(=O)NCCc1cccs1)[N@@H+]1CCCN(C)C(=O)C1 ZINC000191134968 396415859 /nfs/dbraw/zinc/41/58/59/396415859.db2.gz AMCNCMJOCRWNOS-LBPRGKRZSA-N 1 2 309.435 0.959 10 0 DCAELO C[C@@H](C(=O)NCCc1cccs1)[N@H+]1CCCN(C)C(=O)C1 ZINC000191134968 396415860 /nfs/dbraw/zinc/41/58/60/396415860.db2.gz AMCNCMJOCRWNOS-LBPRGKRZSA-N 1 2 309.435 0.959 10 0 DCAELO C[C@@H](C(=O)NCc1ccccc1F)[N@@H+]1CCCN(C)C(=O)C1 ZINC000191131339 396416128 /nfs/dbraw/zinc/41/61/28/396416128.db2.gz VYZJNSYGDQSLRE-LBPRGKRZSA-N 1 2 307.369 0.995 10 0 DCAELO C[C@@H](C(=O)NCc1ccccc1F)[N@H+]1CCCN(C)C(=O)C1 ZINC000191131339 396416129 /nfs/dbraw/zinc/41/61/29/396416129.db2.gz VYZJNSYGDQSLRE-LBPRGKRZSA-N 1 2 307.369 0.995 10 0 DCAELO O=C(NCCOCC(F)F)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000191634336 396422887 /nfs/dbraw/zinc/42/28/87/396422887.db2.gz XZJHALZVXDYYGX-NSHDSACASA-N 1 2 307.341 0.384 10 0 DCAELO Cn1nnc(C[NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)n1 ZINC000193494076 396452602 /nfs/dbraw/zinc/45/26/02/396452602.db2.gz WQFMLCIJCIIYMR-RISCZKNCSA-N 1 2 320.784 0.925 10 0 DCAELO CN(Cc1ccccc1F)C(=O)C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000371817331 396477522 /nfs/dbraw/zinc/47/75/22/396477522.db2.gz VSPHWAGSQUXNNU-HNNXBMFYSA-N 1 2 321.396 0.801 10 0 DCAELO CN(Cc1ccccc1F)C(=O)C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000371817331 396477523 /nfs/dbraw/zinc/47/75/23/396477523.db2.gz VSPHWAGSQUXNNU-HNNXBMFYSA-N 1 2 321.396 0.801 10 0 DCAELO O=C(C[N@@H+]1CCN2CCOC[C@H]2C1)N1CCc2ccccc2C1 ZINC000371815344 396477610 /nfs/dbraw/zinc/47/76/10/396477610.db2.gz HZNMNCWBXIQTNQ-QGZVFWFLSA-N 1 2 315.417 0.588 10 0 DCAELO O=C(C[N@H+]1CCN2CCOC[C@H]2C1)N1CCc2ccccc2C1 ZINC000371815344 396477611 /nfs/dbraw/zinc/47/76/11/396477611.db2.gz HZNMNCWBXIQTNQ-QGZVFWFLSA-N 1 2 315.417 0.588 10 0 DCAELO O=C(NCCCNc1cccc[nH+]1)N1CCN2CCOC[C@H]2C1 ZINC000371877074 396479262 /nfs/dbraw/zinc/47/92/62/396479262.db2.gz RXPLDLQAFQAQCM-CQSZACIVSA-N 1 2 319.409 0.610 10 0 DCAELO CN(CC1CC1)C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000562032318 396650314 /nfs/dbraw/zinc/65/03/14/396650314.db2.gz ARQRWUXGUHEABA-HUUCEWRRSA-N 1 2 323.437 0.614 10 0 DCAELO O=C(Cc1cn2ccccc2[nH+]1)N1CCN2CCOC[C@H]2C1 ZINC000374923412 396698115 /nfs/dbraw/zinc/69/81/15/396698115.db2.gz DQISQPFZEJUTJN-CQSZACIVSA-N 1 2 300.362 0.420 10 0 DCAELO CCOC(=O)C[C@@H](O)C[N@@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000312659510 396766856 /nfs/dbraw/zinc/76/68/56/396766856.db2.gz GROZUDVBKKPKPL-VXGBXAGGSA-N 1 2 307.412 0.057 10 0 DCAELO CCOC(=O)C[C@@H](O)C[N@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000312659510 396766863 /nfs/dbraw/zinc/76/68/63/396766863.db2.gz GROZUDVBKKPKPL-VXGBXAGGSA-N 1 2 307.412 0.057 10 0 DCAELO NC(=O)[C@]1(O)CCC[N@H+](Cc2ccncc2Br)C1 ZINC000625411330 396864467 /nfs/dbraw/zinc/86/44/67/396864467.db2.gz YKCLDUMIWDVSEB-LBPRGKRZSA-N 1 2 314.183 0.656 10 0 DCAELO NC(=O)[C@]1(O)CCC[N@@H+](Cc2ccncc2Br)C1 ZINC000625411330 396864472 /nfs/dbraw/zinc/86/44/72/396864472.db2.gz YKCLDUMIWDVSEB-LBPRGKRZSA-N 1 2 314.183 0.656 10 0 DCAELO CCOC(=O)CCCC[NH+]1CCN(Cc2n[nH]c(C)n2)CC1 ZINC000611072194 396813257 /nfs/dbraw/zinc/81/32/57/396813257.db2.gz HASRYJZBKPOAFR-UHFFFAOYSA-N 1 2 309.414 0.964 10 0 DCAELO Cc1conc1C(=O)N1CC[N@@H+](C[C@H]2CN(C)CCO2)C[C@@H]1C ZINC000630939567 397140060 /nfs/dbraw/zinc/14/00/60/397140060.db2.gz GQDGBCBBPPMKTH-UONOGXRCSA-N 1 2 322.409 0.460 10 0 DCAELO Cc1conc1C(=O)N1CC[N@H+](C[C@H]2CN(C)CCO2)C[C@@H]1C ZINC000630939567 397140067 /nfs/dbraw/zinc/14/00/67/397140067.db2.gz GQDGBCBBPPMKTH-UONOGXRCSA-N 1 2 322.409 0.460 10 0 DCAELO O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N(CCO)CC1CC1 ZINC000573991837 397225918 /nfs/dbraw/zinc/22/59/18/397225918.db2.gz NWPYUIIQFCETTC-UHFFFAOYSA-N 1 2 302.334 0.504 10 0 DCAELO Cc1ccn(C)c1C(=O)N1CCO[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000364755172 397244633 /nfs/dbraw/zinc/24/46/33/397244633.db2.gz NKCKDPVBPHZQPU-OAHLLOKOSA-N 1 2 320.437 0.422 10 0 DCAELO NS(=O)(=O)c1cccc(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)c1 ZINC000577872367 397369640 /nfs/dbraw/zinc/36/96/40/397369640.db2.gz GYAMFGOVQIQLLV-SECBINFHSA-N 1 2 305.306 0.270 10 0 DCAELO COC(=O)c1csc(C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)c1 ZINC000602471599 397413604 /nfs/dbraw/zinc/41/36/04/397413604.db2.gz FFIDLZHBCBKOHY-JTQLQIEISA-N 1 2 318.420 0.658 10 0 DCAELO COC(=O)c1csc(C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)c1 ZINC000602471599 397413607 /nfs/dbraw/zinc/41/36/07/397413607.db2.gz FFIDLZHBCBKOHY-JTQLQIEISA-N 1 2 318.420 0.658 10 0 DCAELO O=C(Cn1nc2ccccn2c1=O)Nc1ccc2[nH+]ccn2c1 ZINC000603883637 397624536 /nfs/dbraw/zinc/62/45/36/397624536.db2.gz HUXNVRVCOHNFQH-UHFFFAOYSA-N 1 2 308.301 0.782 10 0 DCAELO Cc1nc(CNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)no1 ZINC000074610507 158060035 /nfs/dbraw/zinc/06/00/35/158060035.db2.gz QHEANTXNMLKVRJ-LBPRGKRZSA-N 1 2 309.370 0.384 10 0 DCAELO Cc1nnc([C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)c2ccccc2)[nH]1 ZINC000081028730 158082729 /nfs/dbraw/zinc/08/27/29/158082729.db2.gz OJQJATRBNKIDNB-ZIAGYGMSSA-N 1 2 315.377 0.649 10 0 DCAELO Cc1nnc([C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)c2ccccc2)[nH]1 ZINC000081028730 158082732 /nfs/dbraw/zinc/08/27/32/158082732.db2.gz OJQJATRBNKIDNB-ZIAGYGMSSA-N 1 2 315.377 0.649 10 0 DCAELO Cc1nc([C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)c2ccccc2)n[nH]1 ZINC000081028730 158082735 /nfs/dbraw/zinc/08/27/35/158082735.db2.gz OJQJATRBNKIDNB-ZIAGYGMSSA-N 1 2 315.377 0.649 10 0 DCAELO Cc1nc([C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)c2ccccc2)n[nH]1 ZINC000081028730 158082737 /nfs/dbraw/zinc/08/27/37/158082737.db2.gz OJQJATRBNKIDNB-ZIAGYGMSSA-N 1 2 315.377 0.649 10 0 DCAELO CNC(=O)CC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000120359479 158197602 /nfs/dbraw/zinc/19/76/02/158197602.db2.gz HMYYICRGEPQLBU-CQSZACIVSA-N 1 2 305.378 0.312 10 0 DCAELO CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000121914002 158216871 /nfs/dbraw/zinc/21/68/71/158216871.db2.gz JVFTVCKVKOZVEK-NWDGAFQWSA-N 1 2 323.397 0.371 10 0 DCAELO COc1ccc(F)cc1C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000129014382 158285090 /nfs/dbraw/zinc/28/50/90/158285090.db2.gz VCORTURASMHXNW-LBPRGKRZSA-N 1 2 312.341 0.257 10 0 DCAELO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](Cc2cn3cccnc3n2)C1 ZINC000134337327 158325702 /nfs/dbraw/zinc/32/57/02/158325702.db2.gz ZLFQISFKQXFZMY-ZDUSSCGKSA-N 1 2 323.422 0.631 10 0 DCAELO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](Cc2cn3cccnc3n2)C1 ZINC000134337327 158325705 /nfs/dbraw/zinc/32/57/05/158325705.db2.gz ZLFQISFKQXFZMY-ZDUSSCGKSA-N 1 2 323.422 0.631 10 0 DCAELO CCC(=O)N1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000135143672 158334092 /nfs/dbraw/zinc/33/40/92/158334092.db2.gz SONCQCKNMCMIQG-KBPBESRZSA-N 1 2 324.425 0.113 10 0 DCAELO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000172360692 158393736 /nfs/dbraw/zinc/39/37/36/158393736.db2.gz SHEKZNASJCUOAU-GFCCVEGCSA-N 1 2 316.361 0.449 10 0 DCAELO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000172360692 158393740 /nfs/dbraw/zinc/39/37/40/158393740.db2.gz SHEKZNASJCUOAU-GFCCVEGCSA-N 1 2 316.361 0.449 10 0 DCAELO O=S(=O)(C[C@@H]1CCCCO1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000172389435 158394147 /nfs/dbraw/zinc/39/41/47/158394147.db2.gz IDGRPYOQKMUQSU-KBPBESRZSA-N 1 2 318.439 0.338 10 0 DCAELO O=S(=O)(C[C@@H]1CCCCO1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000172389435 158394148 /nfs/dbraw/zinc/39/41/48/158394148.db2.gz IDGRPYOQKMUQSU-KBPBESRZSA-N 1 2 318.439 0.338 10 0 DCAELO O=C(CCCNC(=O)C1CC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172760511 158399562 /nfs/dbraw/zinc/39/95/62/158399562.db2.gz UUQYJLVVVVFZIL-CQSZACIVSA-N 1 2 309.410 0.226 10 0 DCAELO CC(C)CCn1cc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)nn1 ZINC000172769331 158399670 /nfs/dbraw/zinc/39/96/70/158399670.db2.gz OKUXJQZZLWHMHH-CQSZACIVSA-N 1 2 321.425 0.871 10 0 DCAELO O=C(c1csc(-c2nc[nH]n2)n1)N1CC[NH+](C2CC2)CC1 ZINC000328730436 159025024 /nfs/dbraw/zinc/02/50/24/159025024.db2.gz HYPAOAPJOGMHLI-UHFFFAOYSA-N 1 2 304.379 0.848 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)CCOC3CCOCC3)C[C@@H]21 ZINC000328858568 159035503 /nfs/dbraw/zinc/03/55/03/159035503.db2.gz DORYZHBAIGWORD-LSDHHAIUSA-N 1 2 312.410 0.504 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)CCOC3CCOCC3)C[C@@H]21 ZINC000328858568 159035504 /nfs/dbraw/zinc/03/55/04/159035504.db2.gz DORYZHBAIGWORD-LSDHHAIUSA-N 1 2 312.410 0.504 10 0 DCAELO C[C@H](CC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1)N1CCCCC1=O ZINC000328869265 159036406 /nfs/dbraw/zinc/03/64/06/159036406.db2.gz HNYCXUIJIIMOQU-RBSFLKMASA-N 1 2 323.437 0.709 10 0 DCAELO C[C@H](CC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1)N1CCCCC1=O ZINC000328869265 159036408 /nfs/dbraw/zinc/03/64/08/159036408.db2.gz HNYCXUIJIIMOQU-RBSFLKMASA-N 1 2 323.437 0.709 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cn(C(C)(C)C)nn3)C[C@H]21 ZINC000328875892 159037109 /nfs/dbraw/zinc/03/71/09/159037109.db2.gz JYDWMVZKDHHWGB-CHWSQXEVSA-N 1 2 307.398 0.578 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cn(C(C)(C)C)nn3)C[C@H]21 ZINC000328875892 159037111 /nfs/dbraw/zinc/03/71/11/159037111.db2.gz JYDWMVZKDHHWGB-CHWSQXEVSA-N 1 2 307.398 0.578 10 0 DCAELO COCc1nc(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)cs1 ZINC000328902466 159038713 /nfs/dbraw/zinc/03/87/13/159038713.db2.gz GQIFVEJKGNZPGX-VXGBXAGGSA-N 1 2 311.407 0.835 10 0 DCAELO COCc1nc(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)cs1 ZINC000328902466 159038716 /nfs/dbraw/zinc/03/87/16/159038716.db2.gz GQIFVEJKGNZPGX-VXGBXAGGSA-N 1 2 311.407 0.835 10 0 DCAELO Cc1cnc(COCC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)o1 ZINC000329117066 159064441 /nfs/dbraw/zinc/06/44/41/159064441.db2.gz UHQDVYADXLAYBI-OLZOCXBDSA-N 1 2 309.366 0.431 10 0 DCAELO Cc1cnc(COCC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)o1 ZINC000329117066 159064443 /nfs/dbraw/zinc/06/44/43/159064443.db2.gz UHQDVYADXLAYBI-OLZOCXBDSA-N 1 2 309.366 0.431 10 0 DCAELO CCc1nnc([C@@H](C)[NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)o1 ZINC000329138485 159066721 /nfs/dbraw/zinc/06/67/21/159066721.db2.gz RXOCBDPCKMDIHE-GPCCPHFNSA-N 1 2 318.381 0.988 10 0 DCAELO Cn1[nH]c(C[N@@H+]2CC[C@@](O)(Cc3cccc(Cl)c3)C2)nc1=O ZINC000329584336 159105017 /nfs/dbraw/zinc/10/50/17/159105017.db2.gz LXVITRHABKMTCU-OAHLLOKOSA-N 1 2 322.796 0.941 10 0 DCAELO Cn1[nH]c(C[N@H+]2CC[C@@](O)(Cc3cccc(Cl)c3)C2)nc1=O ZINC000329584336 159105018 /nfs/dbraw/zinc/10/50/18/159105018.db2.gz LXVITRHABKMTCU-OAHLLOKOSA-N 1 2 322.796 0.941 10 0 DCAELO C[C@H]1C[C@H](S(=O)(=O)NCC(C)(C)[NH+]2CCOCC2)CCO1 ZINC000329596751 159105451 /nfs/dbraw/zinc/10/54/51/159105451.db2.gz PGRKITHQCZREIS-QWHCGFSZSA-N 1 2 320.455 0.584 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3c[nH]nc3[C@@H]3CCOC3)C[C@@H]21 ZINC000329709044 159113775 /nfs/dbraw/zinc/11/37/75/159113775.db2.gz LINJUQMJMKPGGJ-KGYLQXTDSA-N 1 2 306.366 0.069 10 0 DCAELO C[N@H+]1CCO[C@@H]2CN(C(=O)c3c[nH]nc3[C@@H]3CCOC3)C[C@@H]21 ZINC000329709044 159113778 /nfs/dbraw/zinc/11/37/78/159113778.db2.gz LINJUQMJMKPGGJ-KGYLQXTDSA-N 1 2 306.366 0.069 10 0 DCAELO CN1CC[C@H]([NH2+]Cc2nn(C)c(=O)[nH]2)[C@H]1c1ccc(F)c(F)c1 ZINC000329785062 159119477 /nfs/dbraw/zinc/11/94/77/159119477.db2.gz PTIRJJKQVYKTPB-GXTWGEPZSA-N 1 2 323.347 0.922 10 0 DCAELO CC[C@@H]1CN(C(=O)[C@@]2(OC)CCOC2)C[C@H]1[NH+]1CCOCC1 ZINC000329943985 159130529 /nfs/dbraw/zinc/13/05/29/159130529.db2.gz WNPACCLBUCXBBY-IIAWOOMASA-N 1 2 312.410 0.361 10 0 DCAELO Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000330089705 159141022 /nfs/dbraw/zinc/14/10/22/159141022.db2.gz WBKOZWHRFFWQQM-UQOMUDLDSA-N 1 2 320.393 0.039 10 0 DCAELO Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000330089705 159141025 /nfs/dbraw/zinc/14/10/25/159141025.db2.gz WBKOZWHRFFWQQM-UQOMUDLDSA-N 1 2 320.393 0.039 10 0 DCAELO CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CCO[C@@H](C3CC3)C2)C1 ZINC000332961906 159218292 /nfs/dbraw/zinc/21/82/92/159218292.db2.gz GPBWRZYNGQSPRV-LSDHHAIUSA-N 1 2 309.410 0.224 10 0 DCAELO CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CCO[C@@H](C3CC3)C2)C1 ZINC000332961906 159218295 /nfs/dbraw/zinc/21/82/95/159218295.db2.gz GPBWRZYNGQSPRV-LSDHHAIUSA-N 1 2 309.410 0.224 10 0 DCAELO C[C@H](NC(=O)N1CCO[C@@H](C2CC2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000332968096 159218329 /nfs/dbraw/zinc/21/83/29/159218329.db2.gz RQYIDXSDYZIPPR-KCQAQPDRSA-N 1 2 311.426 0.916 10 0 DCAELO CC[C@H]1CN(C(=O)c2cncc(O)c2)C[C@H]1[NH+]1CCOCC1 ZINC000408004150 160008590 /nfs/dbraw/zinc/00/85/90/160008590.db2.gz KOSNLSLUIBWYMW-SWLSCSKDSA-N 1 2 305.378 0.970 10 0 DCAELO NS(=O)(=O)C1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000408015867 160012358 /nfs/dbraw/zinc/01/23/58/160012358.db2.gz GBNJOVIOMWSHKH-UHFFFAOYSA-N 1 2 303.428 0.188 10 0 DCAELO C[C@H](NC(=O)c1ccoc1)C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000408019819 160012755 /nfs/dbraw/zinc/01/27/55/160012755.db2.gz BBKRXGUPNKGERA-UBHSHLNASA-N 1 2 321.377 0.329 10 0 DCAELO C[C@H](NC(=O)c1ccoc1)C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000408019819 160012757 /nfs/dbraw/zinc/01/27/57/160012757.db2.gz BBKRXGUPNKGERA-UBHSHLNASA-N 1 2 321.377 0.329 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)CNC(=O)CC(C)(C)C)C[C@@H]21 ZINC000408022617 160013880 /nfs/dbraw/zinc/01/38/80/160013880.db2.gz MFGASOPGGZFUNE-QWHCGFSZSA-N 1 2 311.426 0.470 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)CNC(=O)CC(C)(C)C)C[C@@H]21 ZINC000408022617 160013883 /nfs/dbraw/zinc/01/38/83/160013883.db2.gz MFGASOPGGZFUNE-QWHCGFSZSA-N 1 2 311.426 0.470 10 0 DCAELO C[C@@H]1C[C@H](CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)CCO1 ZINC000408020228 160013904 /nfs/dbraw/zinc/01/39/04/160013904.db2.gz CKVKFUOPFJBBOV-KBXIAJHMSA-N 1 2 311.426 0.916 10 0 DCAELO C[C@@H]1C[C@H](CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)CCO1 ZINC000408020228 160013906 /nfs/dbraw/zinc/01/39/06/160013906.db2.gz CKVKFUOPFJBBOV-KBXIAJHMSA-N 1 2 311.426 0.916 10 0 DCAELO C[C@H]1CC(C(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)C[C@H](C)O1 ZINC000408078009 160031284 /nfs/dbraw/zinc/03/12/84/160031284.db2.gz FVGYPEVELQVNTL-RYUDHWBXSA-N 1 2 311.426 0.598 10 0 DCAELO CC[C@@H]1CN(S(=O)(=O)N2CC[C@@H](C)C2)CC[N@@H+]1CCOC ZINC000408132787 160044096 /nfs/dbraw/zinc/04/40/96/160044096.db2.gz LNFLFGNGBBUSNX-ZIAGYGMSSA-N 1 2 319.471 0.616 10 0 DCAELO CC[C@@H]1CN(S(=O)(=O)N2CC[C@@H](C)C2)CC[N@H+]1CCOC ZINC000408132787 160044098 /nfs/dbraw/zinc/04/40/98/160044098.db2.gz LNFLFGNGBBUSNX-ZIAGYGMSSA-N 1 2 319.471 0.616 10 0 DCAELO Cc1c[nH]cc(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c1=O ZINC000408135871 160045169 /nfs/dbraw/zinc/04/51/69/160045169.db2.gz ZMPOCRCVWBDRCB-JSGCOSHPSA-N 1 2 305.378 0.476 10 0 DCAELO CC(=O)N1CCC[C@@H]1C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000408151670 160048178 /nfs/dbraw/zinc/04/81/78/160048178.db2.gz RPJPZPAIZLVEPB-CYBMUJFWSA-N 1 2 305.382 0.065 10 0 DCAELO C[C@H](C(=O)N1CCC(C)CC1)[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000408218630 160062452 /nfs/dbraw/zinc/06/24/52/160062452.db2.gz JCVGOKPHVMALFQ-KGLIPLIRSA-N 1 2 316.467 1.000 10 0 DCAELO C[C@H](C(=O)N1CCC(C)CC1)[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000408218630 160062453 /nfs/dbraw/zinc/06/24/53/160062453.db2.gz JCVGOKPHVMALFQ-KGLIPLIRSA-N 1 2 316.467 1.000 10 0 DCAELO C[C@@H]1CCCN(S(=O)(=O)CCC[NH+]2CCOCC2)[C@@H]1CO ZINC000408243342 160067805 /nfs/dbraw/zinc/06/78/05/160067805.db2.gz GJGDBKKNTXLWLQ-ZIAGYGMSSA-N 1 2 320.455 0.131 10 0 DCAELO O=S(=O)(CCC[NH+]1CCOCC1)N1CCOCC2(CC2)C1 ZINC000408244545 160068450 /nfs/dbraw/zinc/06/84/50/160068450.db2.gz OZKDABODBAVDAH-UHFFFAOYSA-N 1 2 318.439 0.151 10 0 DCAELO CC[C@H]1OCCC[C@@H]1C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000408273458 160073288 /nfs/dbraw/zinc/07/32/88/160073288.db2.gz CZFQUEPPWVCZHP-QWHCGFSZSA-N 1 2 311.426 0.600 10 0 DCAELO Cc1nnsc1C(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000408281429 160075705 /nfs/dbraw/zinc/07/57/05/160075705.db2.gz OMVLPBITLYNCNI-SNVBAGLBSA-N 1 2 306.395 0.709 10 0 DCAELO C[C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@H]1[NH+]1CCOCC1 ZINC000408417096 160103361 /nfs/dbraw/zinc/10/33/61/160103361.db2.gz XNXZORJDJWZZIG-GHMZBOCLSA-N 1 2 307.350 0.171 10 0 DCAELO CO[C@H]1C[C@H](C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)N(C(C)=O)C1 ZINC000408441761 160108605 /nfs/dbraw/zinc/10/86/05/160108605.db2.gz GLAHODQJDBSRTG-UONOGXRCSA-N 1 2 320.393 0.752 10 0 DCAELO CC(C)N1C(=O)C[N@H+](CCN2C(=O)N[C@@H](C)C2=O)CC1(C)C ZINC000408467420 160114509 /nfs/dbraw/zinc/11/45/09/160114509.db2.gz NRUZUDKDYCSSTE-NSHDSACASA-N 1 2 310.398 0.258 10 0 DCAELO CC(C)N1C(=O)C[N@@H+](CCN2C(=O)N[C@@H](C)C2=O)CC1(C)C ZINC000408467420 160114510 /nfs/dbraw/zinc/11/45/10/160114510.db2.gz NRUZUDKDYCSSTE-NSHDSACASA-N 1 2 310.398 0.258 10 0 DCAELO CC(C)N1C(=O)C[N@H+](CCN2C(=O)N[C@H](C)C2=O)CC1(C)C ZINC000408467419 160114956 /nfs/dbraw/zinc/11/49/56/160114956.db2.gz NRUZUDKDYCSSTE-LLVKDONJSA-N 1 2 310.398 0.258 10 0 DCAELO CC(C)N1C(=O)C[N@@H+](CCN2C(=O)N[C@H](C)C2=O)CC1(C)C ZINC000408467419 160114958 /nfs/dbraw/zinc/11/49/58/160114958.db2.gz NRUZUDKDYCSSTE-LLVKDONJSA-N 1 2 310.398 0.258 10 0 DCAELO CN(C)c1[nH+]cccc1CNC(=O)CCSc1nnnn1C ZINC000058145432 286900135 /nfs/dbraw/zinc/90/01/35/286900135.db2.gz JZDHPCDGJYRJQQ-UHFFFAOYSA-N 1 2 321.410 0.470 10 0 DCAELO O=C(NCC[NH+]1CCOCC1)Nc1cnn(-c2ncccn2)c1 ZINC000072561508 286911213 /nfs/dbraw/zinc/91/12/13/286911213.db2.gz SWECHRKQOCKUNN-UHFFFAOYSA-N 1 2 317.353 0.116 10 0 DCAELO CN(C)c1ccccc1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000129569920 286988934 /nfs/dbraw/zinc/98/89/34/286988934.db2.gz OVGZZROXAWVBMX-UHFFFAOYSA-N 1 2 316.405 0.998 10 0 DCAELO COCC[N@@H+]1CCN(S(=O)(=O)C[C@H]2CCOC2)C[C@H]1C ZINC000246972520 287089586 /nfs/dbraw/zinc/08/95/86/287089586.db2.gz DXVCRVWVLRSRRC-OLZOCXBDSA-N 1 2 306.428 0.005 10 0 DCAELO COCC[N@H+]1CCN(S(=O)(=O)C[C@H]2CCOC2)C[C@H]1C ZINC000246972520 287089588 /nfs/dbraw/zinc/08/95/88/287089588.db2.gz DXVCRVWVLRSRRC-OLZOCXBDSA-N 1 2 306.428 0.005 10 0 DCAELO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)CC[C@@H]1C ZINC000252005537 287120317 /nfs/dbraw/zinc/12/03/17/287120317.db2.gz WZYYDNYCWFODMV-UMSGYPCISA-N 1 2 318.439 0.035 10 0 DCAELO CO[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)CC[C@@H]1C ZINC000252005537 287120318 /nfs/dbraw/zinc/12/03/18/287120318.db2.gz WZYYDNYCWFODMV-UMSGYPCISA-N 1 2 318.439 0.035 10 0 DCAELO Cc1cc(C)n2c(nnc2SC[C@@H](O)C[NH+]2CCOCC2)n1 ZINC000038391750 415194407 /nfs/dbraw/zinc/19/44/07/415194407.db2.gz IVMJBKGWOZYXJS-LBPRGKRZSA-N 1 2 323.422 0.526 10 0 DCAELO CC(=O)N(C)c1ccc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)cc1 ZINC000278785399 415488668 /nfs/dbraw/zinc/48/86/68/415488668.db2.gz PQYCKQPSANDEHH-MRXNPFEDSA-N 1 2 316.405 0.399 10 0 DCAELO C[C@H]1CN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CCS1(=O)=O ZINC000332877679 415499201 /nfs/dbraw/zinc/49/92/01/415499201.db2.gz DUMYAHOJYNKFGN-VHSXEESVSA-N 1 2 312.395 0.096 10 0 DCAELO C[C@H]1CN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CCS1(=O)=O ZINC000332877679 415499208 /nfs/dbraw/zinc/49/92/08/415499208.db2.gz DUMYAHOJYNKFGN-VHSXEESVSA-N 1 2 312.395 0.096 10 0 DCAELO CCOc1ncccc1CNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000104781183 415626935 /nfs/dbraw/zinc/62/69/35/415626935.db2.gz KKCZGANTEOEMTO-CYBMUJFWSA-N 1 2 308.382 0.610 10 0 DCAELO CCOc1ncccc1CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000104781183 415626943 /nfs/dbraw/zinc/62/69/43/415626943.db2.gz KKCZGANTEOEMTO-CYBMUJFWSA-N 1 2 308.382 0.610 10 0 DCAELO C[C@@H]1CN(c2cc(N3CCSCC3)[nH+]cn2)CC(=O)N1C ZINC000283487282 415590066 /nfs/dbraw/zinc/59/00/66/415590066.db2.gz KTBJVOILJPUXLA-LLVKDONJSA-N 1 2 307.423 0.697 10 0 DCAELO C[C@@H]1CN(c2cc(N3CCSCC3)nc[nH+]2)CC(=O)N1C ZINC000283487282 415590071 /nfs/dbraw/zinc/59/00/71/415590071.db2.gz KTBJVOILJPUXLA-LLVKDONJSA-N 1 2 307.423 0.697 10 0 DCAELO C[C@@H]1C[C@H](S(=O)(=O)NCC[NH+]2CCSCC2)CCO1 ZINC000333452606 415651981 /nfs/dbraw/zinc/65/19/81/415651981.db2.gz SBPRCURSVMJJLT-VXGBXAGGSA-N 1 2 308.469 0.522 10 0 DCAELO C[C@H]1C[C@@H](S(=O)(=O)NCC[N@@H+]2CCOCC2(C)C)CCO1 ZINC000333492958 415667784 /nfs/dbraw/zinc/66/77/84/415667784.db2.gz ZRSNIHJSCCYPHX-STQMWFEESA-N 1 2 320.455 0.584 10 0 DCAELO C[C@H]1C[C@@H](S(=O)(=O)NCC[N@H+]2CCOCC2(C)C)CCO1 ZINC000333492958 415667786 /nfs/dbraw/zinc/66/77/86/415667786.db2.gz ZRSNIHJSCCYPHX-STQMWFEESA-N 1 2 320.455 0.584 10 0 DCAELO CO[C@@H]([C@H](C)NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1)C1CC1 ZINC000333650908 415706551 /nfs/dbraw/zinc/70/65/51/415706551.db2.gz KIOQLQVOFYZBOO-MYPMTAMASA-N 1 2 311.426 0.914 10 0 DCAELO CO[C@@H]([C@H](C)NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1)C1CC1 ZINC000333650908 415706555 /nfs/dbraw/zinc/70/65/55/415706555.db2.gz KIOQLQVOFYZBOO-MYPMTAMASA-N 1 2 311.426 0.914 10 0 DCAELO C[C@@H]1C[N@H+](CC(=O)N(C)[C@@H]2CCCC[C@@H]2C)C[C@@H](C(N)=O)O1 ZINC000122952050 415835995 /nfs/dbraw/zinc/83/59/95/415835995.db2.gz NMLDNOZIRSHLRX-DGAVXFQQSA-N 1 2 311.426 0.598 10 0 DCAELO C[C@@H]1C[N@@H+](CC(=O)N(C)[C@@H]2CCCC[C@@H]2C)C[C@@H](C(N)=O)O1 ZINC000122952050 415836000 /nfs/dbraw/zinc/83/60/00/415836000.db2.gz NMLDNOZIRSHLRX-DGAVXFQQSA-N 1 2 311.426 0.598 10 0 DCAELO CCCCn1nccc1NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000153255722 415977973 /nfs/dbraw/zinc/97/79/73/415977973.db2.gz AZMILABBBQJNFK-GFCCVEGCSA-N 1 2 323.397 0.069 10 0 DCAELO CCCCn1nccc1NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000153255722 415977975 /nfs/dbraw/zinc/97/79/75/415977975.db2.gz AZMILABBBQJNFK-GFCCVEGCSA-N 1 2 323.397 0.069 10 0 DCAELO C[C@H](NC(=O)C[NH+]1CCN(c2ccccn2)CC1)[C@H]1CCCO1 ZINC000155031475 415992333 /nfs/dbraw/zinc/99/23/33/415992333.db2.gz LYLXOQMUEWNYHP-LSDHHAIUSA-N 1 2 318.421 0.887 10 0 DCAELO COC(=O)[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000132352730 415933007 /nfs/dbraw/zinc/93/30/07/415933007.db2.gz YFMSHWIICSESQE-CHWSQXEVSA-N 1 2 318.439 0.686 10 0 DCAELO COC(=O)[C@H]1CCCC[N@H+]1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000132352730 415933012 /nfs/dbraw/zinc/93/30/12/415933012.db2.gz YFMSHWIICSESQE-CHWSQXEVSA-N 1 2 318.439 0.686 10 0 DCAELO Cc1nnc([C@H]2C[N@H+](C[C@H](O)COc3ccccc3)CCO2)[nH]1 ZINC000173661113 416061381 /nfs/dbraw/zinc/06/13/81/416061381.db2.gz XXPLRYYOOXQQIW-DZGCQCFKSA-N 1 2 318.377 0.926 10 0 DCAELO Cc1nnc([C@H]2C[N@@H+](C[C@H](O)COc3ccccc3)CCO2)[nH]1 ZINC000173661113 416061385 /nfs/dbraw/zinc/06/13/85/416061385.db2.gz XXPLRYYOOXQQIW-DZGCQCFKSA-N 1 2 318.377 0.926 10 0 DCAELO Cc1n[nH]cc1CCCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173795656 416066093 /nfs/dbraw/zinc/06/60/93/416066093.db2.gz SXAJDACKSJJPME-OAHLLOKOSA-N 1 2 321.425 0.767 10 0 DCAELO COCc1csc(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)n1 ZINC000174367435 416077219 /nfs/dbraw/zinc/07/72/19/416077219.db2.gz XWMTZCLSFWUUGC-SNVBAGLBSA-N 1 2 300.384 0.742 10 0 DCAELO COCc1csc(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000174367435 416077224 /nfs/dbraw/zinc/07/72/24/416077224.db2.gz XWMTZCLSFWUUGC-SNVBAGLBSA-N 1 2 300.384 0.742 10 0 DCAELO CN1C(=O)C[C@H](C(=O)NCCc2[nH]cc[nH+]2)[C@H]1c1cccnc1 ZINC000174755202 416085613 /nfs/dbraw/zinc/08/56/13/416085613.db2.gz MGOFCURQVXGZGN-SWLSCSKDSA-N 1 2 313.361 0.683 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)Cc2cc[nH]n2)nc[nH+]1 ZINC000174742815 416086902 /nfs/dbraw/zinc/08/69/02/416086902.db2.gz KWAFUOCOVIQYAF-GFCCVEGCSA-N 1 2 315.381 0.569 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)Cc2cc[nH]n2)[nH+]cn1 ZINC000174742815 416086906 /nfs/dbraw/zinc/08/69/06/416086906.db2.gz KWAFUOCOVIQYAF-GFCCVEGCSA-N 1 2 315.381 0.569 10 0 DCAELO CC(C)OCCS(=O)(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000175137444 416097340 /nfs/dbraw/zinc/09/73/40/416097340.db2.gz MQZLBESOFBEDIT-ZDUSSCGKSA-N 1 2 306.428 0.148 10 0 DCAELO COC[C@@H](NC(=O)NC[C@@H](C)[NH+]1CCOCC1)c1ccco1 ZINC000175273926 416100445 /nfs/dbraw/zinc/10/04/45/416100445.db2.gz PSVVPQNFOSOKIK-CHWSQXEVSA-N 1 2 311.382 0.987 10 0 DCAELO Cn1ccc(N2CCC[C@H]([N@H+](C)CC(=O)NC(C)(C)C)C2=O)n1 ZINC000175501951 416106832 /nfs/dbraw/zinc/10/68/32/416106832.db2.gz QTFXRXCSNTTYMF-LBPRGKRZSA-N 1 2 321.425 0.762 10 0 DCAELO Cn1ccc(N2CCC[C@H]([N@@H+](C)CC(=O)NC(C)(C)C)C2=O)n1 ZINC000175501951 416106837 /nfs/dbraw/zinc/10/68/37/416106837.db2.gz QTFXRXCSNTTYMF-LBPRGKRZSA-N 1 2 321.425 0.762 10 0 DCAELO CCN(CC)C(=O)C[N@H+](C)[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000175507287 416109393 /nfs/dbraw/zinc/10/93/93/416109393.db2.gz MIYNMSZGJWILQB-CYBMUJFWSA-N 1 2 321.425 0.634 10 0 DCAELO CCN(CC)C(=O)C[N@@H+](C)[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000175507287 416109397 /nfs/dbraw/zinc/10/93/97/416109397.db2.gz MIYNMSZGJWILQB-CYBMUJFWSA-N 1 2 321.425 0.634 10 0 DCAELO COc1nc(NC[C@@H]2C[N@H+](C)CCO2)ncc1Br ZINC000176239885 416121848 /nfs/dbraw/zinc/12/18/48/416121848.db2.gz QKHQGXXWHBRMJX-MRVPVSSYSA-N 1 2 317.187 0.990 10 0 DCAELO COc1nc(NC[C@@H]2C[N@@H+](C)CCO2)ncc1Br ZINC000176239885 416121851 /nfs/dbraw/zinc/12/18/51/416121851.db2.gz QKHQGXXWHBRMJX-MRVPVSSYSA-N 1 2 317.187 0.990 10 0 DCAELO COc1csc(C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c1 ZINC000176480255 416127002 /nfs/dbraw/zinc/12/70/02/416127002.db2.gz SRBSZVQCURVHIQ-CQSZACIVSA-N 1 2 314.407 0.570 10 0 DCAELO OC[C@@H](CNc1cc(NC[C@H](CO)C2CC2)[nH+]cn1)C1CC1 ZINC000357774146 416130812 /nfs/dbraw/zinc/13/08/12/416130812.db2.gz JSBPRZRDJAIAFW-ZIAGYGMSSA-N 1 2 306.410 1.337 10 0 DCAELO CN(C(=O)NC[C@H](O)C[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000176658404 416131262 /nfs/dbraw/zinc/13/12/62/416131262.db2.gz ZYOCSZMDCGYLJT-AWEZNQCLSA-N 1 2 311.357 0.665 10 0 DCAELO CC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000328856930 416135745 /nfs/dbraw/zinc/13/57/45/416135745.db2.gz DBVKEACYQJVDGB-QLFBSQMISA-N 1 2 309.410 0.319 10 0 DCAELO CC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000328856930 416135749 /nfs/dbraw/zinc/13/57/49/416135749.db2.gz DBVKEACYQJVDGB-QLFBSQMISA-N 1 2 309.410 0.319 10 0 DCAELO CC(=O)N1CC[NH+](CCNC(=O)COc2ccc(O)cc2)CC1 ZINC000357874159 416145288 /nfs/dbraw/zinc/14/52/88/416145288.db2.gz FPQJNONOFUFMLA-UHFFFAOYSA-N 1 2 321.377 0.051 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3ncn(C(C)(C)C)n3)C[C@H]21 ZINC000329070717 416148378 /nfs/dbraw/zinc/14/83/78/416148378.db2.gz YPNMNZGUCXHMGY-VXGBXAGGSA-N 1 2 322.413 0.970 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3ncn(C(C)(C)C)n3)C[C@H]21 ZINC000329070717 416148379 /nfs/dbraw/zinc/14/83/79/416148379.db2.gz YPNMNZGUCXHMGY-VXGBXAGGSA-N 1 2 322.413 0.970 10 0 DCAELO CC(C)Oc1cccnc1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178720212 416170721 /nfs/dbraw/zinc/17/07/21/416170721.db2.gz RXVDRZYCHOFMNR-ZDUSSCGKSA-N 1 2 304.394 0.598 10 0 DCAELO NC(=O)NC1(C(=O)N2CCCN(c3cccc[nH+]3)CC2)CC1 ZINC000183552008 416245336 /nfs/dbraw/zinc/24/53/36/416245336.db2.gz YJOGHDIYZFEZSS-UHFFFAOYSA-N 1 2 303.366 0.321 10 0 DCAELO CC(C)[C@@H](NC(N)=O)C(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000183553049 416245515 /nfs/dbraw/zinc/24/55/15/416245515.db2.gz RHLGFBVJOSRATA-CQSZACIVSA-N 1 2 319.409 0.813 10 0 DCAELO CN(C)c1cc[nH+]cc1C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000183572924 416246269 /nfs/dbraw/zinc/24/62/69/416246269.db2.gz UMRJIXLOUWJQHS-CYBMUJFWSA-N 1 2 304.394 0.741 10 0 DCAELO CCc1noc(C)c1NC(=O)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000190041300 416273346 /nfs/dbraw/zinc/27/33/46/416273346.db2.gz FNJSQVBBIVDLGG-SNVBAGLBSA-N 1 2 324.381 0.009 10 0 DCAELO CCc1noc(C)c1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000190041300 416273351 /nfs/dbraw/zinc/27/33/51/416273351.db2.gz FNJSQVBBIVDLGG-SNVBAGLBSA-N 1 2 324.381 0.009 10 0 DCAELO COC(=O)[C@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)C1CC1 ZINC000358809153 416276858 /nfs/dbraw/zinc/27/68/58/416276858.db2.gz JEEXSYOVWNECBB-UKRRQHHQSA-N 1 2 314.451 0.736 10 0 DCAELO COCCCNC(=O)[C@@H](C)[NH+]1CCN(Cc2cocn2)CC1 ZINC000191940502 416293246 /nfs/dbraw/zinc/29/32/46/416293246.db2.gz ORKUNNZFVUJDMG-CYBMUJFWSA-N 1 2 310.398 0.333 10 0 DCAELO CC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)c2nc(N)nc(N(C)C)n2)C1 ZINC000195673398 416326787 /nfs/dbraw/zinc/32/67/87/416326787.db2.gz AOUMGAFGJJUPHP-GXSJLCMTSA-N 1 2 307.402 0.181 10 0 DCAELO CC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)c2nc(N)nc(N(C)C)n2)C1 ZINC000195673398 416326788 /nfs/dbraw/zinc/32/67/88/416326788.db2.gz AOUMGAFGJJUPHP-GXSJLCMTSA-N 1 2 307.402 0.181 10 0 DCAELO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCS1(=O)=O ZINC000544257098 416653612 /nfs/dbraw/zinc/65/36/12/416653612.db2.gz IUHPSLWGBRRJOK-OLZOCXBDSA-N 1 2 302.440 0.944 10 0 DCAELO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCS1(=O)=O ZINC000544257098 416653616 /nfs/dbraw/zinc/65/36/16/416653616.db2.gz IUHPSLWGBRRJOK-OLZOCXBDSA-N 1 2 302.440 0.944 10 0 DCAELO COc1cccc(CCNC(=O)NCC[N@@H+]2CCOC[C@@H]2C)n1 ZINC000441231526 416665934 /nfs/dbraw/zinc/66/59/34/416665934.db2.gz KQFSZDWTHOXNRS-ZDUSSCGKSA-N 1 2 322.409 0.653 10 0 DCAELO COc1cccc(CCNC(=O)NCC[N@H+]2CCOC[C@@H]2C)n1 ZINC000441231526 416665938 /nfs/dbraw/zinc/66/59/38/416665938.db2.gz KQFSZDWTHOXNRS-ZDUSSCGKSA-N 1 2 322.409 0.653 10 0 DCAELO CCCn1cc(C[N@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)cn1 ZINC000430095307 287343382 /nfs/dbraw/zinc/34/33/82/287343382.db2.gz CKRKEGMBRDFIRU-ZDUSSCGKSA-N 1 2 300.428 0.759 10 0 DCAELO CCCn1cc(C[N@@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)cn1 ZINC000430095307 287343383 /nfs/dbraw/zinc/34/33/83/287343383.db2.gz CKRKEGMBRDFIRU-ZDUSSCGKSA-N 1 2 300.428 0.759 10 0 DCAELO Nc1cc([C@@H]2C[NH2+]CCN2S(=O)(=O)c2ccccc2)[nH]n1 ZINC000616604786 417084582 /nfs/dbraw/zinc/08/45/82/417084582.db2.gz NNMSECWJYJUFMF-LBPRGKRZSA-N 1 2 307.379 0.327 10 0 DCAELO Nc1ccc([C@@H]2c3ccccc3CCN2S(N)(=O)=O)c[nH+]1 ZINC000616689411 417093348 /nfs/dbraw/zinc/09/33/48/417093348.db2.gz FWRQUCAMKDWLEH-CQSZACIVSA-N 1 2 304.375 0.815 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCc4n[nH]cc4C3)C[C@@H]21 ZINC000408021892 417134518 /nfs/dbraw/zinc/13/45/18/417134518.db2.gz JYPQPLROTZNFPO-VHDGCEQUSA-N 1 2 319.409 0.382 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCc4n[nH]cc4C3)C[C@@H]21 ZINC000408021892 417134526 /nfs/dbraw/zinc/13/45/26/417134526.db2.gz JYPQPLROTZNFPO-VHDGCEQUSA-N 1 2 319.409 0.382 10 0 DCAELO C[C@@H](O)CC[N@@H+]1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000450581307 417238395 /nfs/dbraw/zinc/23/83/95/417238395.db2.gz DXBCICWFFKFBNP-OLZOCXBDSA-N 1 2 318.373 0.754 10 0 DCAELO C[C@@H](O)CC[N@H+]1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000450581307 417238400 /nfs/dbraw/zinc/23/84/00/417238400.db2.gz DXBCICWFFKFBNP-OLZOCXBDSA-N 1 2 318.373 0.754 10 0 DCAELO C[C@H]1CCCN1S(=O)(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000451889350 417411123 /nfs/dbraw/zinc/41/11/23/417411123.db2.gz MCEZPJYLLCLXGG-RWMBFGLXSA-N 1 2 305.444 0.102 10 0 DCAELO C[C@H]1CCCN1S(=O)(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000451889350 417411128 /nfs/dbraw/zinc/41/11/28/417411128.db2.gz MCEZPJYLLCLXGG-RWMBFGLXSA-N 1 2 305.444 0.102 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCO[C@H](CO)C1)C2 ZINC000530288613 417563247 /nfs/dbraw/zinc/56/32/47/417563247.db2.gz SPYOKNRWTBNULI-RYUDHWBXSA-N 1 2 307.394 0.858 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCO[C@H](CO)C1)CC2 ZINC000530288613 417563252 /nfs/dbraw/zinc/56/32/52/417563252.db2.gz SPYOKNRWTBNULI-RYUDHWBXSA-N 1 2 307.394 0.858 10 0 DCAELO COCc1nc(C[NH2+][C@H]2CCN(S(C)(=O)=O)C2)cs1 ZINC000651920559 417818616 /nfs/dbraw/zinc/81/86/16/417818616.db2.gz WDWJFUWANRHCFG-VIFPVBQESA-N 1 2 305.425 0.413 10 0 DCAELO CC(=O)c1ccc(NC(=O)N[C@@H](CO)C[NH+]2CCOCC2)cc1 ZINC000631473356 417887643 /nfs/dbraw/zinc/88/76/43/417887643.db2.gz XDTCSEDWCPEXKY-OAHLLOKOSA-N 1 2 321.377 0.704 10 0 DCAELO CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000488572009 287553807 /nfs/dbraw/zinc/55/38/07/287553807.db2.gz HYSAQJNRTSCNDZ-GHMZBOCLSA-N 1 2 322.365 0.390 10 0 DCAELO C[C@H]1CN(C(=O)NCc2ccc[nH+]c2N(C)C)C[C@@H](CO)O1 ZINC000188615894 261129328 /nfs/dbraw/zinc/12/93/28/261129328.db2.gz GAGKTYQPGDCTQA-AAEUAGOBSA-N 1 2 308.382 0.439 10 0 DCAELO COc1cccc([C@H](C)C(=O)NC[C@H](O)C[NH+]2CCOCC2)c1 ZINC000193498120 261142466 /nfs/dbraw/zinc/14/24/66/261142466.db2.gz YYQUSHFGMKTIKL-ZFWWWQNUSA-N 1 2 322.405 0.608 10 0 DCAELO CCn1c(N)c(C(=O)C[NH2+][C@H](C)c2ccc(C)o2)c(=O)[nH]c1=O ZINC000194413629 261146596 /nfs/dbraw/zinc/14/65/96/261146596.db2.gz JQXZWLNNAWTFPE-SECBINFHSA-N 1 2 320.349 0.574 10 0 DCAELO Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@@H]1CNC(=O)C1 ZINC000194869924 261149567 /nfs/dbraw/zinc/14/95/67/261149567.db2.gz HYHSNUWREIRUSI-LBPRGKRZSA-N 1 2 300.362 0.987 10 0 DCAELO CCN1CCCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1=O ZINC000276355309 261170572 /nfs/dbraw/zinc/17/05/72/261170572.db2.gz OMNNQWCOPINNPU-UHFFFAOYSA-N 1 2 313.361 0.962 10 0 DCAELO CC(C)C(=O)N[C@@H](CO)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000362700988 262062727 /nfs/dbraw/zinc/06/27/27/262062727.db2.gz WXFPCUAXBAKUNT-LBPRGKRZSA-N 1 2 308.382 0.249 10 0 DCAELO NC(=O)c1cccnc1N1CCC[N@@H+]([C@H]2CCOC2=O)CC1 ZINC000370796270 262151266 /nfs/dbraw/zinc/15/12/66/262151266.db2.gz QHCRXOGVIDQASI-LBPRGKRZSA-N 1 2 304.350 0.008 10 0 DCAELO NC(=O)c1cccnc1N1CCC[N@H+]([C@H]2CCOC2=O)CC1 ZINC000370796270 262151268 /nfs/dbraw/zinc/15/12/68/262151268.db2.gz QHCRXOGVIDQASI-LBPRGKRZSA-N 1 2 304.350 0.008 10 0 DCAELO O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)NC1CCC1 ZINC000522985721 272554363 /nfs/dbraw/zinc/55/43/63/272554363.db2.gz JLGNUSOUGUFGDG-UHFFFAOYSA-N 1 2 308.426 0.782 10 0 DCAELO Cn1ccc(CNC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)n1 ZINC000535032404 287825478 /nfs/dbraw/zinc/82/54/78/287825478.db2.gz YBOFRTVJOCIABE-UHFFFAOYSA-N 1 2 303.370 0.171 10 0 DCAELO CC(C)c1[nH+]c2c(n1C)CCN(CCCC(=O)NC(N)=O)C2 ZINC000171640538 276066082 /nfs/dbraw/zinc/06/60/82/276066082.db2.gz CEZZNUMBRNBIEW-UHFFFAOYSA-N 1 2 307.398 0.877 10 0 DCAELO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCCN1c1nccs1 ZINC000547794718 288079972 /nfs/dbraw/zinc/07/99/72/288079972.db2.gz PONKZUFFOGNFLZ-OLZOCXBDSA-N 1 2 324.450 0.949 10 0 DCAELO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCCN1c1nccs1 ZINC000547794718 288079975 /nfs/dbraw/zinc/07/99/75/288079975.db2.gz PONKZUFFOGNFLZ-OLZOCXBDSA-N 1 2 324.450 0.949 10 0 DCAELO C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCCN1c1nccs1 ZINC000547794720 288080044 /nfs/dbraw/zinc/08/00/44/288080044.db2.gz PONKZUFFOGNFLZ-STQMWFEESA-N 1 2 324.450 0.949 10 0 DCAELO C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCCN1c1nccs1 ZINC000547794720 288080045 /nfs/dbraw/zinc/08/00/45/288080045.db2.gz PONKZUFFOGNFLZ-STQMWFEESA-N 1 2 324.450 0.949 10 0 DCAELO CCCS(=O)(=O)N1Cc2c([nH+]cn2C)C[C@H]1C(=O)OC ZINC000012530305 278851593 /nfs/dbraw/zinc/85/15/93/278851593.db2.gz AMMPEASNCFQJRD-JTQLQIEISA-N 1 2 301.368 0.060 10 0 DCAELO Cn1cc([C@]2(C)CN(C(=O)[C@@H]3CC(F)(F)C[NH2+]3)CCO2)cn1 ZINC000263024365 279351136 /nfs/dbraw/zinc/35/11/36/279351136.db2.gz RFCZDUFEXDJZRS-AAEUAGOBSA-N 1 2 314.336 0.491 10 0 DCAELO CC(C)[C@@H](C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)N1CCCC1=O ZINC000172746701 279774175 /nfs/dbraw/zinc/77/41/75/279774175.db2.gz OCRKZTQQSRIFHS-ZBFHGGJFSA-N 1 2 323.437 0.567 10 0 DCAELO CCn1cncc1S(=O)(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261798272 288748409 /nfs/dbraw/zinc/74/84/09/288748409.db2.gz VQQKTYHBSRPYDS-ZDUSSCGKSA-N 1 2 321.406 0.633 10 0 DCAELO C[C@@H]1[C@H](N2CCOCC2)CC[N@@H+]1Cc1nnnn1C(C)(C)C ZINC000329768188 289048228 /nfs/dbraw/zinc/04/82/28/289048228.db2.gz DNNZRZMNWHVZGW-CHWSQXEVSA-N 1 2 308.430 0.723 10 0 DCAELO C[C@@H]1[C@H](N2CCOCC2)CC[N@H+]1Cc1nnnn1C(C)(C)C ZINC000329768188 289048229 /nfs/dbraw/zinc/04/82/29/289048229.db2.gz DNNZRZMNWHVZGW-CHWSQXEVSA-N 1 2 308.430 0.723 10 0 DCAELO C[C@H](C(=O)N1CCS(=O)(=O)[C@H](C)C1)[NH+]1CCCCCC1 ZINC000174027658 289294578 /nfs/dbraw/zinc/29/45/78/289294578.db2.gz JBHBZKJEYPHXRY-CHWSQXEVSA-N 1 2 302.440 0.896 10 0 DCAELO Cc1ccn(-c2ccc(NC[C@@H](O)C[NH+]3CCOCC3)nn2)n1 ZINC000301747821 292731506 /nfs/dbraw/zinc/73/15/06/292731506.db2.gz ZMZPUYJXRCJSJO-CYBMUJFWSA-N 1 2 318.381 0.076 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCCc4c[nH]nc43)C[C@H]21 ZINC000285532480 290081426 /nfs/dbraw/zinc/08/14/26/290081426.db2.gz NSYGEMAVVPSXES-MGPQQGTHSA-N 1 2 319.409 0.902 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCCc4c[nH]nc43)C[C@H]21 ZINC000285532480 290081429 /nfs/dbraw/zinc/08/14/29/290081429.db2.gz NSYGEMAVVPSXES-MGPQQGTHSA-N 1 2 319.409 0.902 10 0 DCAELO C[C@H](c1nnnn1C)[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000249266088 290287766 /nfs/dbraw/zinc/28/77/66/290287766.db2.gz IMXSDROBYTWUPI-NEPJUHHUSA-N 1 2 302.386 0.662 10 0 DCAELO C[C@H](c1nnnn1C)[N@@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000249266088 290287767 /nfs/dbraw/zinc/28/77/67/290287767.db2.gz IMXSDROBYTWUPI-NEPJUHHUSA-N 1 2 302.386 0.662 10 0 DCAELO Cc1ccncc1S(=O)(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000408228472 302291414 /nfs/dbraw/zinc/29/14/14/302291414.db2.gz XPCUCHBPMMEASS-STQMWFEESA-N 1 2 313.423 0.466 10 0 DCAELO Cc1ccncc1S(=O)(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000408228472 302291416 /nfs/dbraw/zinc/29/14/16/302291416.db2.gz XPCUCHBPMMEASS-STQMWFEESA-N 1 2 313.423 0.466 10 0 DCAELO O=C(COC[C@@H]1CCOC1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000174488223 303633418 /nfs/dbraw/zinc/63/34/18/303633418.db2.gz MZBFWQTVSOBBHA-HUUCEWRRSA-N 1 2 312.410 0.363 10 0 DCAELO CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)[C@H]1CCC[NH2+]C1 ZINC000037803746 337366836 /nfs/dbraw/zinc/36/68/36/337366836.db2.gz BNDKQRMVQGCWBO-VIFPVBQESA-N 1 2 306.391 0.943 10 0 DCAELO COC(=O)Cn1ncc2c1nc[nH+]c2N[C@@H](C)c1nc[nH]n1 ZINC000302013431 533831996 /nfs/dbraw/zinc/83/19/96/533831996.db2.gz BEYXFEOFUKOABA-ZETCQYMHSA-N 1 2 302.298 0.291 10 0 DCAELO COC(=O)c1ccc(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)[nH]1 ZINC000294625739 533995911 /nfs/dbraw/zinc/99/59/11/533995911.db2.gz JKMGUKJCCXWQTO-QWHCGFSZSA-N 1 2 307.350 0.346 10 0 DCAELO COC(=O)c1ccc(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)[nH]1 ZINC000294625739 533995917 /nfs/dbraw/zinc/99/59/17/533995917.db2.gz JKMGUKJCCXWQTO-QWHCGFSZSA-N 1 2 307.350 0.346 10 0 DCAELO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1cc(N2CCCC2)ccn1 ZINC000194937803 518199976 /nfs/dbraw/zinc/19/99/76/518199976.db2.gz XATCXWQKNINIOU-OAHLLOKOSA-N 1 2 315.421 0.411 10 0 DCAELO C[C@@H]1CN(C(=O)c2ccc(C(N)=O)s2)C[C@H]1[NH+]1CCOCC1 ZINC000173962791 534413541 /nfs/dbraw/zinc/41/35/41/534413541.db2.gz GSAAQNBVXNNRJE-GHMZBOCLSA-N 1 2 323.418 0.640 10 0 DCAELO CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247102103 519311403 /nfs/dbraw/zinc/31/14/03/519311403.db2.gz MSBXGJHZBWERKV-QWHCGFSZSA-N 1 2 319.471 0.503 10 0 DCAELO CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247102103 519311405 /nfs/dbraw/zinc/31/14/05/519311405.db2.gz MSBXGJHZBWERKV-QWHCGFSZSA-N 1 2 319.471 0.503 10 0 DCAELO CCOCCNC(=O)C[N@@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000158025970 519943965 /nfs/dbraw/zinc/94/39/65/519943965.db2.gz SNGHKMKCBGGRIV-HZSPNIEDSA-N 1 2 300.399 0.407 10 0 DCAELO CCOCCNC(=O)C[N@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000158025970 519943973 /nfs/dbraw/zinc/94/39/73/519943973.db2.gz SNGHKMKCBGGRIV-HZSPNIEDSA-N 1 2 300.399 0.407 10 0 DCAELO CCc1ccccc1CC(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000188279945 521821532 /nfs/dbraw/zinc/82/15/32/521821532.db2.gz SQMWFXONQBNVKL-INIZCTEOSA-N 1 2 306.406 0.601 10 0 DCAELO O=C([C@@H]1C[C@@H](F)C[N@H+]1CCc1cccnc1)N1CCOCC1 ZINC000299741805 534600195 /nfs/dbraw/zinc/60/01/95/534600195.db2.gz GFOKPXSBSZEHQQ-CABCVRRESA-N 1 2 307.369 0.895 10 0 DCAELO O=C([C@@H]1C[C@@H](F)C[N@@H+]1CCc1cccnc1)N1CCOCC1 ZINC000299741805 534600198 /nfs/dbraw/zinc/60/01/98/534600198.db2.gz GFOKPXSBSZEHQQ-CABCVRRESA-N 1 2 307.369 0.895 10 0 DCAELO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@]2(CO)Cc2ccccc2)C1 ZINC000365108252 523945219 /nfs/dbraw/zinc/94/52/19/523945219.db2.gz CDXHXBXUKCBWFO-WMZOPIPTSA-N 1 2 318.417 0.913 10 0 DCAELO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@]2(CO)Cc2ccccc2)C1 ZINC000365108252 523945223 /nfs/dbraw/zinc/94/52/23/523945223.db2.gz CDXHXBXUKCBWFO-WMZOPIPTSA-N 1 2 318.417 0.913 10 0 DCAELO C[C@@H]1CN(C(=O)c2cncc(Cl)n2)C[C@@H]1[NH+]1CCOCC1 ZINC000189452269 524883245 /nfs/dbraw/zinc/88/32/45/524883245.db2.gz WXARDFDADYXXNC-PWSUYJOCSA-N 1 2 310.785 0.923 10 0 DCAELO C[S@](=O)CCC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000155790864 525381639 /nfs/dbraw/zinc/38/16/39/525381639.db2.gz IHUMPHNKXMOREM-RNODOKPDSA-N 1 2 302.440 0.468 10 0 DCAELO Cc1nnc([C@H]2C[N@H+](CCCNC(=O)C(F)(F)F)CCO2)[nH]1 ZINC000154856308 526536666 /nfs/dbraw/zinc/53/66/66/526536666.db2.gz RLVVWFRGPUXTTA-SECBINFHSA-N 1 2 321.303 0.555 10 0 DCAELO Cc1nnc([C@H]2C[N@@H+](CCCNC(=O)C(F)(F)F)CCO2)[nH]1 ZINC000154856308 526536670 /nfs/dbraw/zinc/53/66/70/526536670.db2.gz RLVVWFRGPUXTTA-SECBINFHSA-N 1 2 321.303 0.555 10 0 DCAELO CC(=O)NCc1ccc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)s1 ZINC000178625662 526803911 /nfs/dbraw/zinc/80/39/11/526803911.db2.gz RVGZPQFDLYNABN-LBPRGKRZSA-N 1 2 322.434 0.114 10 0 DCAELO O=C1C[C@H](Nc2cc(N3CCC[C@@H]3CO)nc[nH+]2)CN1C1CC1 ZINC000267570658 527030405 /nfs/dbraw/zinc/03/04/05/527030405.db2.gz AAZYGBQHRRWCSS-WCQYABFASA-N 1 2 317.393 0.613 10 0 DCAELO O=C1C[C@H](Nc2cc(N3CCC[C@@H]3CO)[nH+]cn2)CN1C1CC1 ZINC000267570658 527030411 /nfs/dbraw/zinc/03/04/11/527030411.db2.gz AAZYGBQHRRWCSS-WCQYABFASA-N 1 2 317.393 0.613 10 0 DCAELO CC(=O)[C@](C)(O)C[NH+]1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC000331315582 527154925 /nfs/dbraw/zinc/15/49/25/527154925.db2.gz IZUYQLQLZKKBGX-MRXNPFEDSA-N 1 2 308.378 0.994 10 0 DCAELO O=C(NC1C[NH+](C[C@@H](O)COc2ccccc2F)C1)C1CC1 ZINC000187979109 527543835 /nfs/dbraw/zinc/54/38/35/527543835.db2.gz RPSJOTJEQOGWAW-CYBMUJFWSA-N 1 2 308.353 0.776 10 0 DCAELO Cn1nccc1CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000163529652 527609004 /nfs/dbraw/zinc/60/90/04/527609004.db2.gz GAUGGIBQWUATLP-GFCCVEGCSA-N 1 2 300.366 0.893 10 0 DCAELO CCc1cc(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)n(C)n1 ZINC000284593631 536150167 /nfs/dbraw/zinc/15/01/67/536150167.db2.gz MMFIWSBRRHLGPH-OLZOCXBDSA-N 1 2 307.398 0.919 10 0 DCAELO CCc1cc(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)n(C)n1 ZINC000284593631 536150172 /nfs/dbraw/zinc/15/01/72/536150172.db2.gz MMFIWSBRRHLGPH-OLZOCXBDSA-N 1 2 307.398 0.919 10 0 DCAELO COc1ccc(O)c(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000284604881 536818839 /nfs/dbraw/zinc/81/88/39/536818839.db2.gz SYMQKEOBZKBEDS-ZFWWWQNUSA-N 1 2 306.362 0.946 10 0 DCAELO COc1ccc(O)c(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000284604881 536818844 /nfs/dbraw/zinc/81/88/44/536818844.db2.gz SYMQKEOBZKBEDS-ZFWWWQNUSA-N 1 2 306.362 0.946 10 0 DCAELO CN(C[C@@H]1C[N@H+](C)CCO1)S(=O)(=O)CCc1ccccc1 ZINC000074775064 545670763 /nfs/dbraw/zinc/67/07/63/545670763.db2.gz NMMMKJCCSSOUQF-HNNXBMFYSA-N 1 2 312.435 0.821 10 0 DCAELO CN(C[C@@H]1C[N@@H+](C)CCO1)S(=O)(=O)CCc1ccccc1 ZINC000074775064 545670771 /nfs/dbraw/zinc/67/07/71/545670771.db2.gz NMMMKJCCSSOUQF-HNNXBMFYSA-N 1 2 312.435 0.821 10 0 DCAELO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1CC(=O)N(C3CC3)C1)C2 ZINC000164470987 545876590 /nfs/dbraw/zinc/87/65/90/545876590.db2.gz IQEPDSFMYBXOBT-GHMZBOCLSA-N 1 2 302.378 0.703 10 0 DCAELO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1CC(=O)N(C3CC3)C1)CC2 ZINC000164470987 545876596 /nfs/dbraw/zinc/87/65/96/545876596.db2.gz IQEPDSFMYBXOBT-GHMZBOCLSA-N 1 2 302.378 0.703 10 0 DCAELO O=C(Nc1cnn(CC2CC2)c1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000177908122 545893183 /nfs/dbraw/zinc/89/31/83/545893183.db2.gz KFQKXSDNMKHUCH-UHFFFAOYSA-N 1 2 317.393 0.538 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)CC[C@@H]2CCCO2)C[C@@H]1C ZINC000246087616 545963120 /nfs/dbraw/zinc/96/31/20/545963120.db2.gz IZMQIHYXFWPKKV-IHRRRGAJSA-N 1 2 320.455 0.272 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)CC[C@@H]2CCCO2)C[C@@H]1C ZINC000246087616 545963125 /nfs/dbraw/zinc/96/31/25/545963125.db2.gz IZMQIHYXFWPKKV-IHRRRGAJSA-N 1 2 320.455 0.272 10 0 DCAELO C[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]23)C[C@H]1[NH+]1CCOCC1 ZINC000329574615 546052088 /nfs/dbraw/zinc/05/20/88/546052088.db2.gz NVGJRVMHMSELSN-YIDVYQOGSA-N 1 2 324.421 0.217 10 0 DCAELO C[N@@H+]1CCO[C@H](CNc2nc(Cl)ccc2S(N)(=O)=O)C1 ZINC000892139524 658219264 /nfs/dbraw/zinc/21/92/64/658219264.db2.gz BCPGDPAEIHIDLK-MRVPVSSYSA-N 1 2 320.802 0.125 10 0 DCAELO C[N@H+]1CCO[C@H](CNc2nc(Cl)ccc2S(N)(=O)=O)C1 ZINC000892139524 658219273 /nfs/dbraw/zinc/21/92/73/658219273.db2.gz BCPGDPAEIHIDLK-MRVPVSSYSA-N 1 2 320.802 0.125 10 0 DCAELO C[C@H]1CN(S(=O)(=O)/C=C/c2ccccc2)CC[N@@H+]1CCO ZINC000188720443 659342545 /nfs/dbraw/zinc/34/25/45/659342545.db2.gz DUCIBBRQUDOBRZ-GMMCIKNFSA-N 1 2 310.419 0.986 10 0 DCAELO C[C@H]1CN(S(=O)(=O)/C=C/c2ccccc2)CC[N@H+]1CCO ZINC000188720443 659342549 /nfs/dbraw/zinc/34/25/49/659342549.db2.gz DUCIBBRQUDOBRZ-GMMCIKNFSA-N 1 2 310.419 0.986 10 0 DCAELO CCS(=O)(=O)NCC1(C[NH+]2CCOCC2)CCOCC1 ZINC000223624604 664418217 /nfs/dbraw/zinc/41/82/17/664418217.db2.gz JHKRZMAWWZZXPW-UHFFFAOYSA-N 1 2 306.428 0.055 10 0 DCAELO CC(C)N1C(=O)CN(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)C1=O ZINC000172961371 664625943 /nfs/dbraw/zinc/62/59/43/664625943.db2.gz QPHCMYHTCUIEFS-CYBMUJFWSA-N 1 2 310.398 0.023 10 0 DCAELO CC(C)N1C(=O)CN(C[N@H+]2CC[C@@H](N3CCOCC3)C2)C1=O ZINC000172961371 664625944 /nfs/dbraw/zinc/62/59/44/664625944.db2.gz QPHCMYHTCUIEFS-CYBMUJFWSA-N 1 2 310.398 0.023 10 0 DCAELO 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/nfs/dbraw/zinc/03/00/08/671030008.db2.gz NFOFJETUORRUSC-LLVKDONJSA-N 1 2 319.365 0.368 10 0 DCAELO CCCN1C(=O)C(=O)N(C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)C1=O ZINC000116258766 671030012 /nfs/dbraw/zinc/03/00/12/671030012.db2.gz NFOFJETUORRUSC-LLVKDONJSA-N 1 2 319.365 0.368 10 0 DCAELO COC(=O)[C@H]1CC(=O)N(C[N@@H+]2CCC[C@H]2c2cnn(C)c2)C1 ZINC000248450509 685175531 /nfs/dbraw/zinc/17/55/31/685175531.db2.gz YAEOWTFONRBBOV-AAEUAGOBSA-N 1 2 306.366 0.536 10 0 DCAELO COC(=O)[C@H]1CC(=O)N(C[N@H+]2CCC[C@H]2c2cnn(C)c2)C1 ZINC000248450509 685175536 /nfs/dbraw/zinc/17/55/36/685175536.db2.gz YAEOWTFONRBBOV-AAEUAGOBSA-N 1 2 306.366 0.536 10 0 DCAELO CC[NH+]1CCN(C2CN(C(=O)c3ccc4[nH]nnc4c3)C2)CC1 ZINC000585561995 1158113107 /nfs/dbraw/zinc/11/31/07/1158113107.db2.gz QCFWXVQEMSLZHV-UHFFFAOYSA-N 1 2 314.393 0.420 10 0 DCAELO Cn1c(-c2ccoc2)nnc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000407976018 282553866 /nfs/dbraw/zinc/55/38/66/282553866.db2.gz RXZGMNFBVMEFMS-CYBMUJFWSA-N 1 2 303.366 0.986 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cnsn2)nc[nH+]1 ZINC000173426794 198213152 /nfs/dbraw/zinc/21/31/52/198213152.db2.gz OUDQZEROKOBEGN-SECBINFHSA-N 1 2 319.394 0.769 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cnsn2)[nH+]cn1 ZINC000173426794 198213154 /nfs/dbraw/zinc/21/31/54/198213154.db2.gz OUDQZEROKOBEGN-SECBINFHSA-N 1 2 319.394 0.769 10 0 DCAELO O=C1CNC(=O)N1CC[NH2+]C1(c2noc(C3CC3)n2)CCCC1 ZINC000173708644 198242918 /nfs/dbraw/zinc/24/29/18/198242918.db2.gz BXIPQIAUAQTZBR-UHFFFAOYSA-N 1 2 319.365 0.858 10 0 DCAELO O=C(Cc1cn2ccsc2n1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172748011 237153164 /nfs/dbraw/zinc/15/31/64/237153164.db2.gz WLCAXWIGRTWWDE-ZDUSSCGKSA-N 1 2 320.418 0.871 10 0 DCAELO O=C(NCc1[nH+]ccn1CCc1ccccc1)[C@@H]1CNC(=O)C1 ZINC000176496834 237199637 /nfs/dbraw/zinc/19/96/37/237199637.db2.gz HJQDFAQUKIUFID-AWEZNQCLSA-N 1 2 312.373 0.878 10 0 DCAELO CCCn1nccc1NC(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000155306734 291219140 /nfs/dbraw/zinc/21/91/40/291219140.db2.gz YBPZGXDQBBAGQB-UHFFFAOYSA-N 1 2 318.381 0.977 10 0 DCAELO C[C@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)C(=O)NC(=O)NC1CC1 ZINC000173630280 299347373 /nfs/dbraw/zinc/34/73/73/299347373.db2.gz DBKVIQLYUDJZBC-UWVGGRQHSA-N 1 2 320.397 0.642 10 0 DCAELO C[C@H](NC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1)[C@@H]1CCCO1 ZINC000275456837 212344983 /nfs/dbraw/zinc/34/49/83/212344983.db2.gz RNNIUCKAQQRHCJ-IHRRRGAJSA-N 1 2 321.425 0.986 10 0 DCAELO O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000408357177 296084961 /nfs/dbraw/zinc/08/49/61/296084961.db2.gz IZPLLGQHUVCRTB-YHUYYLMFSA-N 1 2 317.389 0.606 10 0 DCAELO CNC(=O)[C@@H]1CCCC[N@@H+]1CC(=O)NCc1ccc(OC)cc1 ZINC000104672443 194024986 /nfs/dbraw/zinc/02/49/86/194024986.db2.gz OULXDPVVARBKMT-HNNXBMFYSA-N 1 2 319.405 0.912 10 0 DCAELO CNC(=O)[C@@H]1CCCC[N@H+]1CC(=O)NCc1ccc(OC)cc1 ZINC000104672443 194024987 /nfs/dbraw/zinc/02/49/87/194024987.db2.gz OULXDPVVARBKMT-HNNXBMFYSA-N 1 2 319.405 0.912 10 0 DCAELO C[C@@H](Cc1ccc(O)cc1)NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000105181406 194081707 /nfs/dbraw/zinc/08/17/07/194081707.db2.gz BVSRQUTWLCRAPN-WFASDCNBSA-N 1 2 307.394 0.953 10 0 DCAELO C[C@@H](Cc1ccc(O)cc1)NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000105181406 194081708 /nfs/dbraw/zinc/08/17/08/194081708.db2.gz BVSRQUTWLCRAPN-WFASDCNBSA-N 1 2 307.394 0.953 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)Nc2ccc(-n3cccn3)nc2)C1 ZINC000105282453 194092788 /nfs/dbraw/zinc/09/27/88/194092788.db2.gz PITMAXFOOVEIQE-ZDUSSCGKSA-N 1 2 316.365 0.719 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)Nc2ccc(-n3cccn3)nc2)C1 ZINC000105282453 194092790 /nfs/dbraw/zinc/09/27/90/194092790.db2.gz PITMAXFOOVEIQE-ZDUSSCGKSA-N 1 2 316.365 0.719 10 0 DCAELO CCCS(=O)(=O)CC[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000105800313 194131317 /nfs/dbraw/zinc/13/13/17/194131317.db2.gz CFSPSIDHNNCFKE-UHFFFAOYSA-N 1 2 312.439 0.814 10 0 DCAELO CCCS(=O)(=O)CC[N@H+]1CCCN(c2cccnn2)CC1 ZINC000105800313 194131318 /nfs/dbraw/zinc/13/13/18/194131318.db2.gz CFSPSIDHNNCFKE-UHFFFAOYSA-N 1 2 312.439 0.814 10 0 DCAELO C[C@@H]1C(=O)NCCN1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000106529221 194225467 /nfs/dbraw/zinc/22/54/67/194225467.db2.gz ARPOTFMUIOGSET-LLVKDONJSA-N 1 2 314.349 0.297 10 0 DCAELO CC(=O)N1CCN(C(=O)CCNc2cc[nH+]c(C3CC3)n2)CC1 ZINC000110587079 194340041 /nfs/dbraw/zinc/34/00/41/194340041.db2.gz IWZZHBJRWKXLOI-UHFFFAOYSA-N 1 2 317.393 0.847 10 0 DCAELO COC(=O)C1CCC(C(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)CC1 ZINC000341525680 253390847 /nfs/dbraw/zinc/39/08/47/253390847.db2.gz MFIURNYDIYJZCX-NWINJMCUSA-N 1 2 310.394 0.507 10 0 DCAELO COC(=O)C1CCC(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)CC1 ZINC000341525680 253390849 /nfs/dbraw/zinc/39/08/49/253390849.db2.gz MFIURNYDIYJZCX-NWINJMCUSA-N 1 2 310.394 0.507 10 0 DCAELO Cn1cnc2c1nccc2-c1nc([C@H]2C[NH+]3CCN2CC3)no1 ZINC000289655472 221132890 /nfs/dbraw/zinc/13/28/90/221132890.db2.gz KBUJLFUJUHJURB-LLVKDONJSA-N 1 2 311.349 0.691 10 0 DCAELO O=C([C@H]1CN(c2ncccn2)Cc2c[nH+]cn21)N1CCCCO1 ZINC000247853368 257115735 /nfs/dbraw/zinc/11/57/35/257115735.db2.gz JNRLCZAORKZRQN-CYBMUJFWSA-N 1 2 314.349 0.788 10 0 DCAELO COCC(=O)N1CC[C@H]([NH+]2CCOCC2)[C@H]1Cc1cccnc1 ZINC000247816772 257117326 /nfs/dbraw/zinc/11/73/26/257117326.db2.gz GJFMKCALRIMQRR-JKSUJKDBSA-N 1 2 319.405 0.572 10 0 DCAELO CS(=O)(=O)N1CCO[C@@H]2CC[N@H+](Cc3cccnc3)C[C@H]21 ZINC000247496242 257119624 /nfs/dbraw/zinc/11/96/24/257119624.db2.gz DAAUEFMPTUQOQU-ZIAGYGMSSA-N 1 2 311.407 0.316 10 0 DCAELO CS(=O)(=O)N1CCO[C@@H]2CC[N@@H+](Cc3cccnc3)C[C@H]21 ZINC000247496242 257119626 /nfs/dbraw/zinc/11/96/26/257119626.db2.gz DAAUEFMPTUQOQU-ZIAGYGMSSA-N 1 2 311.407 0.316 10 0 DCAELO Cc1cc(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)n(C)n1 ZINC000283803873 131025686 /nfs/dbraw/zinc/02/56/86/131025686.db2.gz BJCLGVJHXWYRGP-KGLIPLIRSA-N 1 2 307.398 0.343 10 0 DCAELO Cc1cc(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)n(C)n1 ZINC000283803873 131025687 /nfs/dbraw/zinc/02/56/87/131025687.db2.gz BJCLGVJHXWYRGP-KGLIPLIRSA-N 1 2 307.398 0.343 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)Nc3ccc(C(N)=O)cc3)C[C@@H]21 ZINC000284854333 131115759 /nfs/dbraw/zinc/11/57/59/131115759.db2.gz HUHCYMJFJYDNGT-KBPBESRZSA-N 1 2 318.377 0.722 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3ccc(C(N)=O)cc3)C[C@@H]21 ZINC000284854333 131115760 /nfs/dbraw/zinc/11/57/60/131115760.db2.gz HUHCYMJFJYDNGT-KBPBESRZSA-N 1 2 318.377 0.722 10 0 DCAELO C[C@@H]1c2cccn2CC[N@H+]1CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000032489192 395711211 /nfs/dbraw/zinc/71/12/11/395711211.db2.gz TUDNRFDHGVEKST-CHWSQXEVSA-N 1 2 304.394 0.589 10 0 DCAELO C[C@@H]1c2cccn2CC[N@@H+]1CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000032489192 395711213 /nfs/dbraw/zinc/71/12/13/395711213.db2.gz TUDNRFDHGVEKST-CHWSQXEVSA-N 1 2 304.394 0.589 10 0 DCAELO COC(=O)[C@@H]1C[C@H](Oc2ccc(Cc3nn[nH]n3)cc2)C[NH2+]1 ZINC000034151150 395717488 /nfs/dbraw/zinc/71/74/88/395717488.db2.gz AIBQBVNEGVBKOQ-RYUDHWBXSA-N 1 2 303.322 0.073 10 0 DCAELO Cc1ccc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCOCC2)cc1F ZINC000041600979 395738491 /nfs/dbraw/zinc/73/84/91/395738491.db2.gz QGVNELUEBKBWOI-GFCCVEGCSA-N 1 2 323.368 0.910 10 0 DCAELO C[C@@H](NC(=O)NCc1cccnc1-n1cc[nH+]c1)C(=O)N(C)C ZINC000046098593 395770604 /nfs/dbraw/zinc/77/06/04/395770604.db2.gz IQCSVWSPZQUSED-LLVKDONJSA-N 1 2 316.365 0.543 10 0 DCAELO CC(=O)N[C@@H](CC(=O)NC[C@@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000194633191 395802374 /nfs/dbraw/zinc/80/23/74/395802374.db2.gz WLCBRBFWYWMKJP-CVEARBPZSA-N 1 2 319.405 0.701 10 0 DCAELO CC(=O)N[C@@H](CC(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000194633191 395802377 /nfs/dbraw/zinc/80/23/77/395802377.db2.gz WLCBRBFWYWMKJP-CVEARBPZSA-N 1 2 319.405 0.701 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000194625237 395802790 /nfs/dbraw/zinc/80/27/90/395802790.db2.gz POZUZSZUTPEWKU-ZDUSSCGKSA-N 1 2 303.362 0.632 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000194625237 395802792 /nfs/dbraw/zinc/80/27/92/395802792.db2.gz POZUZSZUTPEWKU-ZDUSSCGKSA-N 1 2 303.362 0.632 10 0 DCAELO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CNC(=O)C1 ZINC000194826949 395809294 /nfs/dbraw/zinc/80/92/94/395809294.db2.gz SNXAFUFZSUISDL-LLVKDONJSA-N 1 2 302.309 0.764 10 0 DCAELO CCCS(=O)(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000195073387 395815014 /nfs/dbraw/zinc/81/50/14/395815014.db2.gz YBCMHWZRFQHVLG-UHFFFAOYSA-N 1 2 314.455 0.894 10 0 DCAELO CN1CC[C@@H]([NH+]2CCN(Cc3cnn(C(C)(C)C)c3)CC2)C1=O ZINC000116278265 395842877 /nfs/dbraw/zinc/84/28/77/395842877.db2.gz HLCGVXKBNXFGHK-OAHLLOKOSA-N 1 2 319.453 0.986 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)c2cc(F)cc3nccnc32)C1 ZINC000194604428 395801394 /nfs/dbraw/zinc/80/13/94/395801394.db2.gz VVZHEHRYZQKZRC-LLVKDONJSA-N 1 2 304.325 0.829 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)c2cc(F)cc3nccnc32)C1 ZINC000194604428 395801395 /nfs/dbraw/zinc/80/13/95/395801395.db2.gz VVZHEHRYZQKZRC-LLVKDONJSA-N 1 2 304.325 0.829 10 0 DCAELO Cc1n[nH]c(C)c1[C@H](C)CC(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000135574701 395941122 /nfs/dbraw/zinc/94/11/22/395941122.db2.gz DACYHCNQMOFLGI-BXUZGUMPSA-N 1 2 324.425 0.329 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H](O)c2cccc(F)c2)C1 ZINC000246453445 395950786 /nfs/dbraw/zinc/95/07/86/395950786.db2.gz OVQSVHKVZBXMEY-ZIAGYGMSSA-N 1 2 311.357 0.489 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)NC[C@@H](O)c2cccc(F)c2)C1 ZINC000246453445 395950788 /nfs/dbraw/zinc/95/07/88/395950788.db2.gz OVQSVHKVZBXMEY-ZIAGYGMSSA-N 1 2 311.357 0.489 10 0 DCAELO C[C@H]1CN(CC(=O)NCc2ccco2)C[C@H]1[NH+]1CCOCC1 ZINC000246564457 395952474 /nfs/dbraw/zinc/95/24/74/395952474.db2.gz VDDDHQAZAZUPLC-DZGCQCFKSA-N 1 2 307.394 0.548 10 0 DCAELO C[C@H](CNC(=O)N1CC[C@@H]2OCCC[C@H]2C1)[NH+]1CCOCC1 ZINC000246924004 395960966 /nfs/dbraw/zinc/96/09/66/395960966.db2.gz KMBBRZKCBBOBTH-ILXRZTDVSA-N 1 2 311.426 0.918 10 0 DCAELO C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247243415 395969622 /nfs/dbraw/zinc/96/96/22/395969622.db2.gz XCOFYXSKEJDSLY-WCQYABFASA-N 1 2 311.407 0.637 10 0 DCAELO C[C@@H](C(=O)Nc1ccccc1)[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247243415 395969625 /nfs/dbraw/zinc/96/96/25/395969625.db2.gz XCOFYXSKEJDSLY-WCQYABFASA-N 1 2 311.407 0.637 10 0 DCAELO COCCC[N@H+](C[C@@H](O)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000248395999 395986459 /nfs/dbraw/zinc/98/64/59/395986459.db2.gz PLFAYQLOMGWJJL-VHSXEESVSA-N 1 2 319.345 0.435 10 0 DCAELO COCCC[N@@H+](C[C@@H](O)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000248395999 395986462 /nfs/dbraw/zinc/98/64/62/395986462.db2.gz PLFAYQLOMGWJJL-VHSXEESVSA-N 1 2 319.345 0.435 10 0 DCAELO COCCCCS(=O)(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000248463441 395989180 /nfs/dbraw/zinc/98/91/80/395989180.db2.gz AOTXOVIWGXXBII-STQMWFEESA-N 1 2 308.444 0.130 10 0 DCAELO COCCCCS(=O)(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000248463441 395989182 /nfs/dbraw/zinc/98/91/82/395989182.db2.gz AOTXOVIWGXXBII-STQMWFEESA-N 1 2 308.444 0.130 10 0 DCAELO Cc1cc(C)n(C[C@H]2C[N@H+](CCN3CCO[C@@H](C)C3)CCO2)n1 ZINC000249075235 396001764 /nfs/dbraw/zinc/00/17/64/396001764.db2.gz RTLIAZLJSHWNRJ-DLBZAZTESA-N 1 2 322.453 0.921 10 0 DCAELO Cc1cc(C)n(C[C@H]2C[N@@H+](CCN3CCO[C@@H](C)C3)CCO2)n1 ZINC000249075235 396001766 /nfs/dbraw/zinc/00/17/66/396001766.db2.gz RTLIAZLJSHWNRJ-DLBZAZTESA-N 1 2 322.453 0.921 10 0 DCAELO COCCS(=O)(=O)N1CC[NH2+]C[C@@H]1c1ccccc1OC ZINC000261822130 396069235 /nfs/dbraw/zinc/06/92/35/396069235.db2.gz YADDOXZFVRLGCX-CYBMUJFWSA-N 1 2 314.407 0.618 10 0 DCAELO C[C@@H]1CCNC(=O)[C@H]1NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000249630621 396010522 /nfs/dbraw/zinc/01/05/22/396010522.db2.gz VCYAKBXOEGWEHJ-BNOWGMLFSA-N 1 2 309.410 0.128 10 0 DCAELO C[C@@H]1CCNC(=O)[C@H]1NC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000249630621 396010523 /nfs/dbraw/zinc/01/05/23/396010523.db2.gz VCYAKBXOEGWEHJ-BNOWGMLFSA-N 1 2 309.410 0.128 10 0 DCAELO COc1ccc2c(c1)OC[C@@H](C(=O)NC[C@H]1C[N@H+](C)CCO1)C2 ZINC000250564658 396015341 /nfs/dbraw/zinc/01/53/41/396015341.db2.gz SXIHFQUUWOHBBC-ZFWWWQNUSA-N 1 2 320.389 0.693 10 0 DCAELO COc1ccc2c(c1)OC[C@@H](C(=O)NC[C@H]1C[N@@H+](C)CCO1)C2 ZINC000250564658 396015346 /nfs/dbraw/zinc/01/53/46/396015346.db2.gz SXIHFQUUWOHBBC-ZFWWWQNUSA-N 1 2 320.389 0.693 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)c2cnc(-c3ncccn3)s2)C1 ZINC000171286922 396112968 /nfs/dbraw/zinc/11/29/68/396112968.db2.gz NANVJSQCVLLIEV-SNVBAGLBSA-N 1 2 319.390 0.661 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)c2cnc(-c3ncccn3)s2)C1 ZINC000171286922 396112970 /nfs/dbraw/zinc/11/29/70/396112970.db2.gz NANVJSQCVLLIEV-SNVBAGLBSA-N 1 2 319.390 0.661 10 0 DCAELO Cc1nn(C)cc1[C@@H](C)NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173801512 396136421 /nfs/dbraw/zinc/13/64/21/396136421.db2.gz HUFSNSPJLYNSRS-OCCSQVGLSA-N 1 2 321.425 0.906 10 0 DCAELO CCC(=O)N1CC[C@H](C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)C1 ZINC000162124950 396079105 /nfs/dbraw/zinc/07/91/05/396079105.db2.gz XZUFTIMQQRKGCC-SOUVJXGZSA-N 1 2 323.437 0.424 10 0 DCAELO CCCC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263222551 396206857 /nfs/dbraw/zinc/20/68/57/396206857.db2.gz MDQBUKHWRGESMY-QWRGUYRKSA-N 1 2 303.353 0.891 10 0 DCAELO C[C@@H](NC(=O)[C@H]1CC(F)(F)C[NH2+]1)c1nnnn1-c1ccccc1 ZINC000263229057 396207690 /nfs/dbraw/zinc/20/76/90/396207690.db2.gz NEJCXPFWILQEFZ-MWLCHTKSSA-N 1 2 322.319 0.837 10 0 DCAELO C[C@H](NC(=O)[C@@H]1CC(F)(F)C[NH2+]1)c1nnnn1-c1ccccc1 ZINC000263229058 396207715 /nfs/dbraw/zinc/20/77/15/396207715.db2.gz NEJCXPFWILQEFZ-ONGXEEELSA-N 1 2 322.319 0.837 10 0 DCAELO C[C@@H]1CN(Cc2cn3cccnc3n2)C[C@@H]1[NH+]1CCOCC1 ZINC000177230594 396169982 /nfs/dbraw/zinc/16/99/82/396169982.db2.gz AJUDANLRIVVWKV-HIFRSBDPSA-N 1 2 301.394 0.882 10 0 DCAELO Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000279492061 396179347 /nfs/dbraw/zinc/17/93/47/396179347.db2.gz JHNGGEUYSWAKLU-QGZVFWFLSA-N 1 2 319.405 0.214 10 0 DCAELO O=C(Nc1ccc(N2CCOCC2)cn1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262944958 396193517 /nfs/dbraw/zinc/19/35/17/396193517.db2.gz JCIVUSHBUUNMLV-NSHDSACASA-N 1 2 312.320 0.854 10 0 DCAELO O=C(NCC1CC1)[C@@H]1CCCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263040951 396198983 /nfs/dbraw/zinc/19/89/83/396198983.db2.gz SUBBTJBDMVEKTM-NEPJUHHUSA-N 1 2 315.364 0.748 10 0 DCAELO CNC(=O)CNC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000076470963 396204619 /nfs/dbraw/zinc/20/46/19/396204619.db2.gz HMMZQPSRSOPRPK-LLVKDONJSA-N 1 2 301.350 0.979 10 0 DCAELO Cn1cc([C@@H]2C[NH2+]CCN2S(=O)(=O)c2ccccc2)cn1 ZINC000181702355 396241553 /nfs/dbraw/zinc/24/15/53/396241553.db2.gz QVWUUJNYFDXAPD-AWEZNQCLSA-N 1 2 306.391 0.755 10 0 DCAELO CC(C)CCOCCNC(=O)C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185183000 396320749 /nfs/dbraw/zinc/32/07/49/396320749.db2.gz SYDSFPLBKABSCO-MRXNPFEDSA-N 1 2 314.426 0.657 10 0 DCAELO CC(C)CCOCCNC(=O)C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185183000 396320751 /nfs/dbraw/zinc/32/07/51/396320751.db2.gz SYDSFPLBKABSCO-MRXNPFEDSA-N 1 2 314.426 0.657 10 0 DCAELO C[C@H](C(=O)N1CC(CO)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000184227705 396288290 /nfs/dbraw/zinc/28/82/90/396288290.db2.gz OYNLPTFWIOINQF-CYBMUJFWSA-N 1 2 321.396 0.787 10 0 DCAELO Cc1sc2[nH]c(C[N@@H+]3C[C@@H](O)C[C@@H]3CO)nc(=O)c2c1C ZINC000185155863 396319893 /nfs/dbraw/zinc/31/98/93/396319893.db2.gz HPCIDBWECVOTQN-ZJUUUORDSA-N 1 2 309.391 0.529 10 0 DCAELO Cc1sc2[nH]c(C[N@H+]3C[C@@H](O)C[C@@H]3CO)nc(=O)c2c1C ZINC000185155863 396319895 /nfs/dbraw/zinc/31/98/95/396319895.db2.gz HPCIDBWECVOTQN-ZJUUUORDSA-N 1 2 309.391 0.529 10 0 DCAELO CN(C)c1noc(CN2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000185238988 396322422 /nfs/dbraw/zinc/32/24/22/396322422.db2.gz RWNSWPHWNRERTM-UHFFFAOYSA-N 1 2 302.382 0.848 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCc3c2cccc3F)C1 ZINC000185666236 396332589 /nfs/dbraw/zinc/33/25/89/396332589.db2.gz VYSWIUPTWAHDCM-LLVKDONJSA-N 1 2 321.352 0.162 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCc3c2cccc3F)C1 ZINC000185666236 396332592 /nfs/dbraw/zinc/33/25/92/396332592.db2.gz VYSWIUPTWAHDCM-LLVKDONJSA-N 1 2 321.352 0.162 10 0 DCAELO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(N)cc2)CC1 ZINC000186224293 396345594 /nfs/dbraw/zinc/34/55/94/396345594.db2.gz AVZVPIDOHVQWGK-CYBMUJFWSA-N 1 2 313.423 0.346 10 0 DCAELO C[C@@H]1CN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)CC(=O)N1C ZINC000283684041 396343252 /nfs/dbraw/zinc/34/32/52/396343252.db2.gz ZLKNKHUSGNVTJK-NEPJUHHUSA-N 1 2 305.382 0.105 10 0 DCAELO C[C@@H]1CN(c2cc(N3CCC[C@H]3CO)nc[nH+]2)CC(=O)N1C ZINC000283684041 396343254 /nfs/dbraw/zinc/34/32/54/396343254.db2.gz ZLKNKHUSGNVTJK-NEPJUHHUSA-N 1 2 305.382 0.105 10 0 DCAELO C[C@H]1CN(C(=O)c2nccn3ccnc23)C[C@@H]1[NH+]1CCOCC1 ZINC000266130660 396350832 /nfs/dbraw/zinc/35/08/32/396350832.db2.gz DDZMLFQWINTNPB-STQMWFEESA-N 1 2 315.377 0.522 10 0 DCAELO C[C@H](c1nnnn1C)[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000188995824 396390009 /nfs/dbraw/zinc/39/00/09/396390009.db2.gz VVKAFDJVFKSGAX-LLVKDONJSA-N 1 2 305.386 0.340 10 0 DCAELO CCNC(=O)NC(=O)C[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189642611 396397202 /nfs/dbraw/zinc/39/72/02/396397202.db2.gz JUHADDGESXWDMB-UHFFFAOYSA-N 1 2 320.397 0.255 10 0 DCAELO CC[C@@H](O)C[NH+]1CCN(CCCCCS(=O)(=O)CC)CC1 ZINC000190605191 396408880 /nfs/dbraw/zinc/40/88/80/396408880.db2.gz LQRGGWFXKMJPQC-OAHLLOKOSA-N 1 2 320.499 0.980 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)NC[C@@H](C)OC)nc[nH+]1 ZINC000190633454 396409023 /nfs/dbraw/zinc/40/90/23/396409023.db2.gz HONINXOORGJOKG-VXGBXAGGSA-N 1 2 322.413 0.821 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)NC[C@@H](C)OC)[nH+]cn1 ZINC000190633454 396409024 /nfs/dbraw/zinc/40/90/24/396409024.db2.gz HONINXOORGJOKG-VXGBXAGGSA-N 1 2 322.413 0.821 10 0 DCAELO CCc1nnc(C2CC[NH+](CC(=O)NC3CCOCC3)CC2)[nH]1 ZINC000190654520 396409830 /nfs/dbraw/zinc/40/98/30/396409830.db2.gz WHYIEVUYUVBFBL-UHFFFAOYSA-N 1 2 321.425 0.842 10 0 DCAELO CCc1n[nH]c(C2CC[NH+](CC(=O)NC3CCOCC3)CC2)n1 ZINC000190654520 396409834 /nfs/dbraw/zinc/40/98/34/396409834.db2.gz WHYIEVUYUVBFBL-UHFFFAOYSA-N 1 2 321.425 0.842 10 0 DCAELO CCc1nc(C2CC[NH+](CC(=O)NC3CCOCC3)CC2)n[nH]1 ZINC000190654520 396409839 /nfs/dbraw/zinc/40/98/39/396409839.db2.gz WHYIEVUYUVBFBL-UHFFFAOYSA-N 1 2 321.425 0.842 10 0 DCAELO CCOCCNC(=O)C[NH+]1CCC(c2nnc(CC)[nH]2)CC1 ZINC000190695981 396410213 /nfs/dbraw/zinc/41/02/13/396410213.db2.gz JNLLAAJNYONLIU-UHFFFAOYSA-N 1 2 309.414 0.699 10 0 DCAELO CCOCCNC(=O)C[NH+]1CCC(c2nc(CC)n[nH]2)CC1 ZINC000190695981 396410215 /nfs/dbraw/zinc/41/02/15/396410215.db2.gz JNLLAAJNYONLIU-UHFFFAOYSA-N 1 2 309.414 0.699 10 0 DCAELO CCOCCNC(=O)C[NH+]1CCC(c2n[nH]c(CC)n2)CC1 ZINC000190695981 396410216 /nfs/dbraw/zinc/41/02/16/396410216.db2.gz JNLLAAJNYONLIU-UHFFFAOYSA-N 1 2 309.414 0.699 10 0 DCAELO COc1cccc(CNC(=O)[C@@H](C)[N@@H+]2CCCN(C)C(=O)C2)c1 ZINC000191076763 396415323 /nfs/dbraw/zinc/41/53/23/396415323.db2.gz SSYPZFAQFSRHMQ-CYBMUJFWSA-N 1 2 319.405 0.864 10 0 DCAELO COc1cccc(CNC(=O)[C@@H](C)[N@H+]2CCCN(C)C(=O)C2)c1 ZINC000191076763 396415326 /nfs/dbraw/zinc/41/53/26/396415326.db2.gz SSYPZFAQFSRHMQ-CYBMUJFWSA-N 1 2 319.405 0.864 10 0 DCAELO COc1cccc(CNC(=O)C[N@@H+]2CCCN(C)C(=O)C2)c1 ZINC000191151616 396416220 /nfs/dbraw/zinc/41/62/20/396416220.db2.gz CXGZBGNGFXOZOA-UHFFFAOYSA-N 1 2 305.378 0.476 10 0 DCAELO COc1cccc(CNC(=O)C[N@H+]2CCCN(C)C(=O)C2)c1 ZINC000191151616 396416222 /nfs/dbraw/zinc/41/62/22/396416222.db2.gz CXGZBGNGFXOZOA-UHFFFAOYSA-N 1 2 305.378 0.476 10 0 DCAELO C[N@@H+]1CCO[C@H](CNS(=O)(=O)CCc2cccs2)C1 ZINC000192018977 396428795 /nfs/dbraw/zinc/42/87/95/396428795.db2.gz PDIKLGXZDPPVAI-LLVKDONJSA-N 1 2 304.437 0.541 10 0 DCAELO C[N@H+]1CCO[C@H](CNS(=O)(=O)CCc2cccs2)C1 ZINC000192018977 396428797 /nfs/dbraw/zinc/42/87/97/396428797.db2.gz PDIKLGXZDPPVAI-LLVKDONJSA-N 1 2 304.437 0.541 10 0 DCAELO COC(=O)[C@H](C)N(C[C@H](O)C[NH+]1CCOCC1)C1CCC1 ZINC000192379211 396430818 /nfs/dbraw/zinc/43/08/18/396430818.db2.gz UALDHMNEISSMAC-GXTWGEPZSA-N 1 2 300.399 0.096 10 0 DCAELO O=C(COCc1ccccc1)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000192710227 396435507 /nfs/dbraw/zinc/43/55/07/396435507.db2.gz NZDXWDODCCLBBK-OAHLLOKOSA-N 1 2 308.378 0.013 10 0 DCAELO Cc1cc(CCNC(=O)NCC[N@@H+]2CCOCC2(C)C)on1 ZINC000561569100 396644358 /nfs/dbraw/zinc/64/43/58/396644358.db2.gz YGVIPNXKPUXYPN-UHFFFAOYSA-N 1 2 310.398 0.936 10 0 DCAELO Cc1cc(CCNC(=O)NCC[N@H+]2CCOCC2(C)C)on1 ZINC000561569100 396644360 /nfs/dbraw/zinc/64/43/60/396644360.db2.gz YGVIPNXKPUXYPN-UHFFFAOYSA-N 1 2 310.398 0.936 10 0 DCAELO O=C(NCCn1cc[nH+]c1)N1CC(O)(c2ccc(F)cc2)C1 ZINC000375085683 396710411 /nfs/dbraw/zinc/71/04/11/396710411.db2.gz UEBOUGQZHNPWJG-UHFFFAOYSA-N 1 2 304.325 0.935 10 0 DCAELO Cn1ncc2c1nc(N1CC[C@@H](Oc3cccnc3)C1)[nH+]c2N ZINC000302890090 396722986 /nfs/dbraw/zinc/72/29/86/396722986.db2.gz PEXDAYHLZHIPKN-LLVKDONJSA-N 1 2 311.349 0.998 10 0 DCAELO Nc1[nH+]cnc(N[C@@H]2CCN(C3CCOCC3)C2=O)c1Cl ZINC000375428047 396744772 /nfs/dbraw/zinc/74/47/72/396744772.db2.gz SAPNFCXZFOKHNO-SECBINFHSA-N 1 2 311.773 0.904 10 0 DCAELO Nc1nc[nH+]c(N[C@@H]2CCN(C3CCOCC3)C2=O)c1Cl ZINC000375428047 396744777 /nfs/dbraw/zinc/74/47/77/396744777.db2.gz SAPNFCXZFOKHNO-SECBINFHSA-N 1 2 311.773 0.904 10 0 DCAELO O=C1C[C@H]([NH2+]Cc2ncc(I)s2)CN1 ZINC000306220882 396755413 /nfs/dbraw/zinc/75/54/13/396755413.db2.gz INCIIWBVTWHZPC-YFKPBYRVSA-N 1 2 323.159 0.726 10 0 DCAELO CN1CCN(C(=O)c2n[nH]c3c2CCC3)C[C@H]1c1[nH]cc[nH+]1 ZINC000328634527 396826901 /nfs/dbraw/zinc/82/69/01/396826901.db2.gz UCEXVDOFCRDVMK-LBPRGKRZSA-N 1 2 300.366 0.750 10 0 DCAELO O=S(=O)(CC[C@@H]1CCCO1)NC[C@@H]1CCn2cc[nH+]c2C1 ZINC000328639756 396828150 /nfs/dbraw/zinc/82/81/50/396828150.db2.gz XBYOFKCPQZLLNU-OLZOCXBDSA-N 1 2 313.423 0.934 10 0 DCAELO C[N@@H+]1CCO[C@@H](CN(CC(N)=O)C(=O)C[C@H]2CCCCO2)C1 ZINC000328641643 396828999 /nfs/dbraw/zinc/82/89/99/396828999.db2.gz QRJBFCYBMILOPS-CHWSQXEVSA-N 1 2 313.398 0.640 10 0 DCAELO C[N@H+]1CCO[C@@H](CN(CC(N)=O)C(=O)C[C@H]2CCCCO2)C1 ZINC000328641643 396829006 /nfs/dbraw/zinc/82/90/06/396829006.db2.gz QRJBFCYBMILOPS-CHWSQXEVSA-N 1 2 313.398 0.640 10 0 DCAELO COc1ncccc1C(=O)N1CCN(C)[C@H](c2[nH]cc[nH+]2)C1 ZINC000328645521 396829467 /nfs/dbraw/zinc/82/94/67/396829467.db2.gz ZTHPYXJVRAQQHB-LBPRGKRZSA-N 1 2 301.350 0.942 10 0 DCAELO CC(=O)NCC[N@@H+](C[C@@H](C)CO)[C@H](C)C(=O)OC(C)(C)C ZINC000611576320 396888865 /nfs/dbraw/zinc/88/88/65/396888865.db2.gz PEACPYSXGGBBHV-VXGBXAGGSA-N 1 2 302.415 0.783 10 0 DCAELO CC(=O)NCC[N@H+](C[C@@H](C)CO)[C@H](C)C(=O)OC(C)(C)C ZINC000611576320 396888868 /nfs/dbraw/zinc/88/88/68/396888868.db2.gz PEACPYSXGGBBHV-VXGBXAGGSA-N 1 2 302.415 0.783 10 0 DCAELO NC(=O)C[C@@H]1CCN(C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000376579446 396949638 /nfs/dbraw/zinc/94/96/38/396949638.db2.gz OCDOJGUEOBXCBP-LBPRGKRZSA-N 1 2 305.382 0.791 10 0 DCAELO O=C(NCC1CCOCC1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000572743378 397090878 /nfs/dbraw/zinc/09/08/78/397090878.db2.gz VMGRFXWHTULMES-UHFFFAOYSA-N 1 2 302.334 0.816 10 0 DCAELO c1n[nH]c2c1CC[C@@H]([NH2+]Cc1cn(C[C@H]3CCOC3)nn1)C2 ZINC000631091020 397168512 /nfs/dbraw/zinc/16/85/12/397168512.db2.gz OEVGGKQOYAYGLW-DGCLKSJQSA-N 1 2 302.382 0.685 10 0 DCAELO c1c(C[NH2+]C2CN(c3ccncn3)C2)nnn1C[C@@H]1CCOC1 ZINC000631256950 397194257 /nfs/dbraw/zinc/19/42/57/397194257.db2.gz UOCASNANVFWXHH-LBPRGKRZSA-N 1 2 315.381 0.083 10 0 DCAELO O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000574357599 397260366 /nfs/dbraw/zinc/26/03/66/397260366.db2.gz CQMGIIVBIZYUEO-UKRRQHHQSA-N 1 2 321.421 0.367 10 0 DCAELO COc1nc(C)ccc1C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000408022153 397344879 /nfs/dbraw/zinc/34/48/79/397344879.db2.gz RJRBNPPOHJLSJD-KGLIPLIRSA-N 1 2 305.378 0.944 10 0 DCAELO COc1nc(C)ccc1C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000408022153 397344881 /nfs/dbraw/zinc/34/48/81/397344881.db2.gz RJRBNPPOHJLSJD-KGLIPLIRSA-N 1 2 305.378 0.944 10 0 DCAELO CO[C@@H]1C[N@H+](Cc2ncnn2CC(C)C)C[C@H]1c1c[nH]nn1 ZINC000621317295 397374162 /nfs/dbraw/zinc/37/41/62/397374162.db2.gz WARSFWYXXHYOHP-WCQYABFASA-N 1 2 305.386 0.667 10 0 DCAELO CO[C@@H]1C[N@@H+](Cc2ncnn2CC(C)C)C[C@H]1c1c[nH]nn1 ZINC000621317295 397374165 /nfs/dbraw/zinc/37/41/65/397374165.db2.gz WARSFWYXXHYOHP-WCQYABFASA-N 1 2 305.386 0.667 10 0 DCAELO C[C@H](Oc1ccccn1)C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000428189561 397408850 /nfs/dbraw/zinc/40/88/50/397408850.db2.gz BQINDGVBKDXDHG-MELADBBJSA-N 1 2 305.378 0.780 10 0 DCAELO C[C@H](Oc1ccccn1)C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000428189561 397408854 /nfs/dbraw/zinc/40/88/54/397408854.db2.gz BQINDGVBKDXDHG-MELADBBJSA-N 1 2 305.378 0.780 10 0 DCAELO C[C@@H]1C[C@H]1CNC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000605847200 397672460 /nfs/dbraw/zinc/67/24/60/397672460.db2.gz IZDPRLMKTOFDGJ-HIFRSBDPSA-N 1 2 322.453 0.886 10 0 DCAELO O=C(CN1CCCC1=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046619083 158001894 /nfs/dbraw/zinc/00/18/94/158001894.db2.gz LMDMROBYHQPVGQ-UHFFFAOYSA-N 1 2 302.378 0.789 10 0 DCAELO CC(C)CCOCCNC(=O)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000055900396 158022476 /nfs/dbraw/zinc/02/24/76/158022476.db2.gz GLIWAWZYMHXSLC-CQSZACIVSA-N 1 2 313.442 0.718 10 0 DCAELO CC(C)CCOCCNC(=O)C[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000055900396 158022480 /nfs/dbraw/zinc/02/24/80/158022480.db2.gz GLIWAWZYMHXSLC-CQSZACIVSA-N 1 2 313.442 0.718 10 0 DCAELO CC(C)(CNC(=O)NCc1cccnc1-n1cc[nH+]c1)C(N)=O ZINC000079216909 158077932 /nfs/dbraw/zinc/07/79/32/158077932.db2.gz BYNNIXBJYLETNK-UHFFFAOYSA-N 1 2 316.365 0.578 10 0 DCAELO O=C(/C=C/c1ccc2c(c1)OCO2)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000090698571 158105123 /nfs/dbraw/zinc/10/51/23/158105123.db2.gz CZFZXASBWZSRNY-KWEXDPCDSA-N 1 2 315.373 0.545 10 0 DCAELO CCn1cc(C[N@@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)cn1 ZINC000092044729 158110940 /nfs/dbraw/zinc/11/09/40/158110940.db2.gz GCUZHSRIZPTJCN-CQSZACIVSA-N 1 2 312.439 0.903 10 0 DCAELO CCn1cc(C[N@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)cn1 ZINC000092044729 158110941 /nfs/dbraw/zinc/11/09/41/158110941.db2.gz GCUZHSRIZPTJCN-CQSZACIVSA-N 1 2 312.439 0.903 10 0 DCAELO C[C@H](C(=O)N1CCC(C)CC1)[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116891799 158168394 /nfs/dbraw/zinc/16/83/94/158168394.db2.gz YBLHDJAZGAAMFX-OLZOCXBDSA-N 1 2 317.455 0.257 10 0 DCAELO C[C@H](C(=O)N1CCC(C)CC1)[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116891799 158168397 /nfs/dbraw/zinc/16/83/97/158168397.db2.gz YBLHDJAZGAAMFX-OLZOCXBDSA-N 1 2 317.455 0.257 10 0 DCAELO C[C@H](C(=O)N1CCCCCC1)[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116891718 158168968 /nfs/dbraw/zinc/16/89/68/158168968.db2.gz FIHUGDAZGYXNSB-OLZOCXBDSA-N 1 2 317.455 0.401 10 0 DCAELO C[C@H](C(=O)N1CCCCCC1)[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116891718 158168971 /nfs/dbraw/zinc/16/89/71/158168971.db2.gz FIHUGDAZGYXNSB-OLZOCXBDSA-N 1 2 317.455 0.401 10 0 DCAELO CS(=O)(=O)N[C@H]1CC[N@H+](CC(=O)NC2CCCCC2)C1 ZINC000116890687 158168975 /nfs/dbraw/zinc/16/89/75/158168975.db2.gz DHEBTMYRJFGHSP-LBPRGKRZSA-N 1 2 303.428 0.059 10 0 DCAELO CS(=O)(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CCCCC2)C1 ZINC000116890687 158168977 /nfs/dbraw/zinc/16/89/77/158168977.db2.gz DHEBTMYRJFGHSP-LBPRGKRZSA-N 1 2 303.428 0.059 10 0 DCAELO COCC[N@@H+]1CCN(S(=O)(=O)N2CCCCCC2)C[C@@H]1C ZINC000117369529 158171827 /nfs/dbraw/zinc/17/18/27/158171827.db2.gz JYNLEZYOGIONFL-AWEZNQCLSA-N 1 2 319.471 0.760 10 0 DCAELO COCC[N@H+]1CCN(S(=O)(=O)N2CCCCCC2)C[C@@H]1C ZINC000117369529 158171829 /nfs/dbraw/zinc/17/18/29/158171829.db2.gz JYNLEZYOGIONFL-AWEZNQCLSA-N 1 2 319.471 0.760 10 0 DCAELO CCc1ncc(NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cn1 ZINC000118963832 158181177 /nfs/dbraw/zinc/18/11/77/158181177.db2.gz HRSMKMSZKRIQDC-ZDUSSCGKSA-N 1 2 305.382 0.977 10 0 DCAELO CC(C)OCCN1CC[NH+](C[C@H](C)CS(C)(=O)=O)CC1 ZINC000119544854 158188958 /nfs/dbraw/zinc/18/89/58/158188958.db2.gz LNFCAHUMGGKPCL-AWEZNQCLSA-N 1 2 306.472 0.710 10 0 DCAELO CC(C)OCC[NH+]1CCN(C[C@H](C)CS(C)(=O)=O)CC1 ZINC000119544854 158188960 /nfs/dbraw/zinc/18/89/60/158188960.db2.gz LNFCAHUMGGKPCL-AWEZNQCLSA-N 1 2 306.472 0.710 10 0 DCAELO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000121670708 158212482 /nfs/dbraw/zinc/21/24/82/158212482.db2.gz NZDJYYWFOFECQK-BDAKNGLRSA-N 1 2 304.334 0.312 10 0 DCAELO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](C[C@H](O)C(F)(F)F)C1 ZINC000121670708 158212485 /nfs/dbraw/zinc/21/24/85/158212485.db2.gz NZDJYYWFOFECQK-BDAKNGLRSA-N 1 2 304.334 0.312 10 0 DCAELO CNc1ncc(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)s1 ZINC000122660856 158223167 /nfs/dbraw/zinc/22/31/67/158223167.db2.gz QUJCFROPRSSCEF-MNOVXSKESA-N 1 2 310.423 0.978 10 0 DCAELO O=S(=O)(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccc(F)cc1 ZINC000123614412 158231412 /nfs/dbraw/zinc/23/14/12/158231412.db2.gz YPUJOZLOCBTUCX-ZDUSSCGKSA-N 1 2 314.382 0.967 10 0 DCAELO O=S(=O)(NC[C@H]1C[N@H+](C2CC2)CCO1)c1ccc(F)cc1 ZINC000123614412 158231413 /nfs/dbraw/zinc/23/14/13/158231413.db2.gz YPUJOZLOCBTUCX-ZDUSSCGKSA-N 1 2 314.382 0.967 10 0 DCAELO C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@@H+]1CCNC(=O)CC1 ZINC000126147899 158262467 /nfs/dbraw/zinc/26/24/67/158262467.db2.gz YWGFFEBNURITMG-ZIAGYGMSSA-N 1 2 311.426 0.520 10 0 DCAELO C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@H+]1CCNC(=O)CC1 ZINC000126147899 158262469 /nfs/dbraw/zinc/26/24/69/158262469.db2.gz YWGFFEBNURITMG-ZIAGYGMSSA-N 1 2 311.426 0.520 10 0 DCAELO COc1ccc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)c(C)n1 ZINC000128561494 158280961 /nfs/dbraw/zinc/28/09/61/158280961.db2.gz NBFWVIGBXIPFAB-UHFFFAOYSA-N 1 2 318.377 0.644 10 0 DCAELO Cc1nn(C)c(C)c1OCC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000133722604 158321807 /nfs/dbraw/zinc/32/18/07/158321807.db2.gz QTHVRIPBMZMFGE-CQSZACIVSA-N 1 2 322.409 0.395 10 0 DCAELO Cc1nn(C)c(C)c1OCC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000133722604 158321810 /nfs/dbraw/zinc/32/18/10/158321810.db2.gz QTHVRIPBMZMFGE-CQSZACIVSA-N 1 2 322.409 0.395 10 0 DCAELO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+]([C@@H]2CCN(C(C)C)C2=O)C1 ZINC000134324450 158325848 /nfs/dbraw/zinc/32/58/48/158325848.db2.gz RZKKABHJIILGIB-QWHCGFSZSA-N 1 2 317.455 0.398 10 0 DCAELO CC(C)NS(=O)(=O)[C@H]1CC[N@H+]([C@@H]2CCN(C(C)C)C2=O)C1 ZINC000134324450 158325849 /nfs/dbraw/zinc/32/58/49/158325849.db2.gz RZKKABHJIILGIB-QWHCGFSZSA-N 1 2 317.455 0.398 10 0 DCAELO CCn1cc(C(=O)C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cn1 ZINC000134812560 158331182 /nfs/dbraw/zinc/33/11/82/158331182.db2.gz WEYACYFRDIWVOD-CYBMUJFWSA-N 1 2 306.366 0.065 10 0 DCAELO CCn1cc(C(=O)C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cn1 ZINC000134812560 158331183 /nfs/dbraw/zinc/33/11/83/158331183.db2.gz WEYACYFRDIWVOD-CYBMUJFWSA-N 1 2 306.366 0.065 10 0 DCAELO COCCC1(CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CC1 ZINC000151591526 158348860 /nfs/dbraw/zinc/34/88/60/158348860.db2.gz DMZFKICRJGGTBG-CQSZACIVSA-N 1 2 311.426 0.919 10 0 DCAELO O=C(CN1CCCCCCC1=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172750289 158398916 /nfs/dbraw/zinc/39/89/16/158398916.db2.gz KBPYUKUHFBOKHH-OAHLLOKOSA-N 1 2 323.437 0.712 10 0 DCAELO Cc1cc(N2CC[NH+](CC(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)n[nH]1 ZINC000187267492 158537223 /nfs/dbraw/zinc/53/72/23/158537223.db2.gz BOTBZLMYZQYBFM-OKILXGFUSA-N 1 2 321.425 0.476 10 0 DCAELO CCOCCNC(=O)C[N@@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000246959326 158674576 /nfs/dbraw/zinc/67/45/76/158674576.db2.gz SNGHKMKCBGGRIV-MGPQQGTHSA-N 1 2 300.399 0.407 10 0 DCAELO CCOCCNC(=O)C[N@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000246959326 158674577 /nfs/dbraw/zinc/67/45/77/158674577.db2.gz SNGHKMKCBGGRIV-MGPQQGTHSA-N 1 2 300.399 0.407 10 0 DCAELO COc1ccnc(N2CC[NH+]([C@@H]3CCN(C4CC4)C3=O)CC2)n1 ZINC000328618113 159016054 /nfs/dbraw/zinc/01/60/54/159016054.db2.gz UUTYKKLIKFGGAV-CYBMUJFWSA-N 1 2 317.393 0.371 10 0 DCAELO Cc1noc(CN2CC[NH+]([C@H]3CCN(C4CC4)C3=O)CC2)n1 ZINC000328637883 159016958 /nfs/dbraw/zinc/01/69/58/159016958.db2.gz DAQQGKFSLQHFJS-ZDUSSCGKSA-N 1 2 305.382 0.259 10 0 DCAELO O=C([C@H]1CCCCS1(=O)=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000328665836 159018524 /nfs/dbraw/zinc/01/85/24/159018524.db2.gz ZNGPDODGMOSUTL-ZIAGYGMSSA-N 1 2 323.418 0.522 10 0 DCAELO Cc1nnc([C@@H]2CCCC[N@@H+]2C[C@@H](O)CN2CCCC2=O)[nH]1 ZINC000328670493 159019528 /nfs/dbraw/zinc/01/95/28/159019528.db2.gz MQUCULRSTGNYMA-OLZOCXBDSA-N 1 2 307.398 0.623 10 0 DCAELO Cc1nnc([C@@H]2CCCC[N@H+]2C[C@@H](O)CN2CCCC2=O)[nH]1 ZINC000328670493 159019529 /nfs/dbraw/zinc/01/95/29/159019529.db2.gz MQUCULRSTGNYMA-OLZOCXBDSA-N 1 2 307.398 0.623 10 0 DCAELO Cc1cc(CN2CC[NH+]([C@H]3CCN(C4CC4)C3=O)CC2)on1 ZINC000328681705 159020310 /nfs/dbraw/zinc/02/03/10/159020310.db2.gz VGIOWGFJBGBLLX-HNNXBMFYSA-N 1 2 304.394 0.864 10 0 DCAELO CN(C)c1nc(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)cc(=O)[nH]1 ZINC000328745547 159025686 /nfs/dbraw/zinc/02/56/86/159025686.db2.gz KZCBQEGCTRUQJC-SNVBAGLBSA-N 1 2 302.338 0.949 10 0 DCAELO C[C@H](OC[C@@H]1CCCO1)C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000328856217 159035116 /nfs/dbraw/zinc/03/51/16/159035116.db2.gz CXPJAZCTULMXRV-AJNGGQMLSA-N 1 2 312.410 0.502 10 0 DCAELO C[C@H](OC[C@@H]1CCCO1)C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000328856217 159035119 /nfs/dbraw/zinc/03/51/19/159035119.db2.gz CXPJAZCTULMXRV-AJNGGQMLSA-N 1 2 312.410 0.502 10 0 DCAELO CCN(CC1CC1)S(=O)(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000328891284 159037996 /nfs/dbraw/zinc/03/79/96/159037996.db2.gz SFXFCUFORNGGPJ-KGLIPLIRSA-N 1 2 317.455 0.368 10 0 DCAELO CCN(CC1CC1)S(=O)(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000328891284 159037997 /nfs/dbraw/zinc/03/79/97/159037997.db2.gz SFXFCUFORNGGPJ-KGLIPLIRSA-N 1 2 317.455 0.368 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3csc4cncn43)C[C@H]21 ZINC000328884748 159038234 /nfs/dbraw/zinc/03/82/34/159038234.db2.gz OAQOJQMIJBGAAW-PWSUYJOCSA-N 1 2 306.391 0.941 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)c3csc4cncn43)C[C@H]21 ZINC000328884748 159038235 /nfs/dbraw/zinc/03/82/35/159038235.db2.gz OAQOJQMIJBGAAW-PWSUYJOCSA-N 1 2 306.391 0.941 10 0 DCAELO COc1ccc2nc(CN3CC[C@@H]4OCC[N@H+](C)[C@@H]4C3)[nH]c2n1 ZINC000328930118 159043108 /nfs/dbraw/zinc/04/31/08/159043108.db2.gz YYCVCUZUSIRSDX-OLZOCXBDSA-N 1 2 317.393 0.871 10 0 DCAELO COc1ccc2nc(CN3CC[C@@H]4OCC[N@@H+](C)[C@@H]4C3)[nH]c2n1 ZINC000328930118 159043110 /nfs/dbraw/zinc/04/31/10/159043110.db2.gz YYCVCUZUSIRSDX-OLZOCXBDSA-N 1 2 317.393 0.871 10 0 DCAELO COc1ccc2nc(C[N@@H+]3CC[C@@H]4OCCN(C)[C@@H]4C3)[nH]c2n1 ZINC000328930118 159043112 /nfs/dbraw/zinc/04/31/12/159043112.db2.gz YYCVCUZUSIRSDX-OLZOCXBDSA-N 1 2 317.393 0.871 10 0 DCAELO COc1ccc2nc(C[N@H+]3CC[C@@H]4OCCN(C)[C@@H]4C3)[nH]c2n1 ZINC000328930118 159043113 /nfs/dbraw/zinc/04/31/13/159043113.db2.gz YYCVCUZUSIRSDX-OLZOCXBDSA-N 1 2 317.393 0.871 10 0 DCAELO COc1cccc(CC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)n1 ZINC000328958018 159046962 /nfs/dbraw/zinc/04/69/62/159046962.db2.gz OHEDAMWFCVBYCT-ZIAGYGMSSA-N 1 2 305.378 0.564 10 0 DCAELO COc1cccc(CC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)n1 ZINC000328958018 159046964 /nfs/dbraw/zinc/04/69/64/159046964.db2.gz OHEDAMWFCVBYCT-ZIAGYGMSSA-N 1 2 305.378 0.564 10 0 DCAELO CN(C)c1cnc(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)cn1 ZINC000329152198 159067834 /nfs/dbraw/zinc/06/78/34/159067834.db2.gz ANBFLXPFYHKAND-CHWSQXEVSA-N 1 2 305.382 0.088 10 0 DCAELO CN(C)c1cnc(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)cn1 ZINC000329152198 159067836 /nfs/dbraw/zinc/06/78/36/159067836.db2.gz ANBFLXPFYHKAND-CHWSQXEVSA-N 1 2 305.382 0.088 10 0 DCAELO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)C1 ZINC000329194452 159072512 /nfs/dbraw/zinc/07/25/12/159072512.db2.gz SXOQANDNHPKUFM-YIYPIFLZSA-N 1 2 314.451 0.610 10 0 DCAELO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)C1 ZINC000329194452 159072514 /nfs/dbraw/zinc/07/25/14/159072514.db2.gz SXOQANDNHPKUFM-YIYPIFLZSA-N 1 2 314.451 0.610 10 0 DCAELO CN(C(=O)[C@H]1COCC[N@@H+]1CC1CCC1)[C@H]1CCN(C)C1=O ZINC000329286324 159079204 /nfs/dbraw/zinc/07/92/04/159079204.db2.gz MBVCHTUNDQUXMU-UONOGXRCSA-N 1 2 309.410 0.176 10 0 DCAELO CN(C(=O)[C@H]1COCC[N@H+]1CC1CCC1)[C@H]1CCN(C)C1=O ZINC000329286324 159079206 /nfs/dbraw/zinc/07/92/06/159079206.db2.gz MBVCHTUNDQUXMU-UONOGXRCSA-N 1 2 309.410 0.176 10 0 DCAELO O=C(c1cn(C2CCOCC2)nn1)N1CC[NH+](C2CC2)CC1 ZINC000329506614 159098305 /nfs/dbraw/zinc/09/83/05/159098305.db2.gz IWHZYVGFXMRRKA-UHFFFAOYSA-N 1 2 305.382 0.550 10 0 DCAELO C[C@@H]1C[C@H](S(=O)(=O)NCC[N@@H+]2CCOC(C)(C)C2)CCO1 ZINC000329581310 159104903 /nfs/dbraw/zinc/10/49/03/159104903.db2.gz LFZXSLQZCZYSPL-CHWSQXEVSA-N 1 2 320.455 0.584 10 0 DCAELO C[C@@H]1C[C@H](S(=O)(=O)NCC[N@H+]2CCOC(C)(C)C2)CCO1 ZINC000329581310 159104905 /nfs/dbraw/zinc/10/49/05/159104905.db2.gz LFZXSLQZCZYSPL-CHWSQXEVSA-N 1 2 320.455 0.584 10 0 DCAELO C[N@@H+]1CCO[C@@H](CN(CC2CC2)c2cncc3nncn32)C1 ZINC000330157656 159146301 /nfs/dbraw/zinc/14/63/01/159146301.db2.gz ZJEADOQGRXUAKS-CYBMUJFWSA-N 1 2 302.382 0.671 10 0 DCAELO C[N@H+]1CCO[C@@H](CN(CC2CC2)c2cncc3nncn32)C1 ZINC000330157656 159146303 /nfs/dbraw/zinc/14/63/03/159146303.db2.gz ZJEADOQGRXUAKS-CYBMUJFWSA-N 1 2 302.382 0.671 10 0 DCAELO O=C1[C@H](Nc2ncccn2)CCCN1CC[NH+]1CCOCC1 ZINC000364685038 159275425 /nfs/dbraw/zinc/27/54/25/159275425.db2.gz KIBABESTEUAWCO-CYBMUJFWSA-N 1 2 305.382 0.212 10 0 DCAELO COCC[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@H](C)C2)C[C@@H]1C ZINC000407988069 160003404 /nfs/dbraw/zinc/00/34/04/160003404.db2.gz GBEZCVHFLMEELH-KBPBESRZSA-N 1 2 311.426 0.424 10 0 DCAELO COCC[N@H+]1CCN(C(=O)C(=O)N2CCC[C@H](C)C2)C[C@@H]1C ZINC000407988069 160003406 /nfs/dbraw/zinc/00/34/06/160003406.db2.gz GBEZCVHFLMEELH-KBPBESRZSA-N 1 2 311.426 0.424 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)NCCCN3CCCC3=O)C[C@@H]21 ZINC000408015857 160012480 /nfs/dbraw/zinc/01/24/80/160012480.db2.gz FVIDIMFNTIMEGM-KBPBESRZSA-N 1 2 324.425 0.113 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)NCCCN3CCCC3=O)C[C@@H]21 ZINC000408015857 160012483 /nfs/dbraw/zinc/01/24/83/160012483.db2.gz FVIDIMFNTIMEGM-KBPBESRZSA-N 1 2 324.425 0.113 10 0 DCAELO C[C@H](C[N@@H+]1CCOC[C@@H]1[C@H]1CCC[C@H]1O)CS(C)(=O)=O ZINC000408041290 160020400 /nfs/dbraw/zinc/02/04/00/160020400.db2.gz GAKLGZSBDVWAJO-AAVRWANBSA-N 1 2 305.440 0.529 10 0 DCAELO C[C@H](C[N@H+]1CCOC[C@@H]1[C@H]1CCC[C@H]1O)CS(C)(=O)=O ZINC000408041290 160020402 /nfs/dbraw/zinc/02/04/02/160020402.db2.gz GAKLGZSBDVWAJO-AAVRWANBSA-N 1 2 305.440 0.529 10 0 DCAELO C[C@H](O)CC(C)(C)CNC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000408052298 160023780 /nfs/dbraw/zinc/02/37/80/160023780.db2.gz LCHMZSQAIRREDK-BFHYXJOUSA-N 1 2 313.442 0.898 10 0 DCAELO C[C@H](O)CC(C)(C)CNC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000408052298 160023781 /nfs/dbraw/zinc/02/37/81/160023781.db2.gz LCHMZSQAIRREDK-BFHYXJOUSA-N 1 2 313.442 0.898 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)N(C)Cc2[nH+]ccn2C)[C@H](C)CO1 ZINC000408056332 160025330 /nfs/dbraw/zinc/02/53/30/160025330.db2.gz GFGFSIIDNHLDIQ-GHMZBOCLSA-N 1 2 302.400 0.206 10 0 DCAELO O=C(CO)N1CCN(c2nc(C3CC3)[nH+]c3c2CCC3)CC1 ZINC000408056933 160025356 /nfs/dbraw/zinc/02/53/56/160025356.db2.gz NQNUHVPKWUJLHZ-UHFFFAOYSA-N 1 2 302.378 0.484 10 0 DCAELO COC(=O)[C@@]1(C)CCN(C(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000408079846 160030822 /nfs/dbraw/zinc/03/08/22/160030822.db2.gz KVIUKJNMYUMTFP-HNNXBMFYSA-N 1 2 310.394 0.653 10 0 DCAELO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCC(c2ccnn2C)CC1 ZINC000408104689 160036388 /nfs/dbraw/zinc/03/63/88/160036388.db2.gz QSUUIXRTESKCAI-HNNXBMFYSA-N 1 2 306.410 0.847 10 0 DCAELO CC[N@H+]1CCOC[C@H]1C(=O)N1CCC(c2ccnn2C)CC1 ZINC000408104689 160036389 /nfs/dbraw/zinc/03/63/89/160036389.db2.gz QSUUIXRTESKCAI-HNNXBMFYSA-N 1 2 306.410 0.847 10 0 DCAELO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)CC(F)(F)F)CC1 ZINC000408133904 160044210 /nfs/dbraw/zinc/04/42/10/160044210.db2.gz QFKDKPYBHKXVTP-SECBINFHSA-N 1 2 304.334 0.267 10 0 DCAELO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)CC(F)(F)F)CC1 ZINC000408133906 160044522 /nfs/dbraw/zinc/04/45/22/160044522.db2.gz QFKDKPYBHKXVTP-VIFPVBQESA-N 1 2 304.334 0.267 10 0 DCAELO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(S(C)(=O)=O)o3)[C@H]2C1 ZINC000408143766 160046929 /nfs/dbraw/zinc/04/69/29/160046929.db2.gz BWAZBCSSXSXZOO-MNOVXSKESA-N 1 2 312.391 0.849 10 0 DCAELO C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(S(C)(=O)=O)o3)[C@H]2C1 ZINC000408143766 160046931 /nfs/dbraw/zinc/04/69/31/160046931.db2.gz BWAZBCSSXSXZOO-MNOVXSKESA-N 1 2 312.391 0.849 10 0 DCAELO CN(C)S(=O)(=O)CC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000408186733 160054927 /nfs/dbraw/zinc/05/49/27/160054927.db2.gz WONGOOJNERLDJN-SNVBAGLBSA-N 1 2 300.384 0.355 10 0 DCAELO C[C@H](C(=O)N1CCC[C@@H](Cn2cncn2)C1)[NH+]1CCOCC1 ZINC000408203511 160059292 /nfs/dbraw/zinc/05/92/92/160059292.db2.gz LKYJGHXYNHMCKM-ZIAGYGMSSA-N 1 2 307.398 0.237 10 0 DCAELO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@@H]2[C@H](C)C2(F)F)CC1 ZINC000408230107 160064386 /nfs/dbraw/zinc/06/43/86/160064386.db2.gz BXTXFMYHSAOWLS-UMNHJUIQSA-N 1 2 315.364 0.699 10 0 DCAELO Cc1cc(C)n([C@H](C)C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)n1 ZINC000408232857 160065268 /nfs/dbraw/zinc/06/52/68/160065268.db2.gz WPZGZUVTHMICNM-HUUCEWRRSA-N 1 2 306.410 0.994 10 0 DCAELO CC1(C)[C@@H](O)CCN1C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000408240375 160067117 /nfs/dbraw/zinc/06/71/17/160067117.db2.gz MKJTYRPLEKRIJJ-AWEZNQCLSA-N 1 2 318.421 0.575 10 0 DCAELO CCN1CCN(C(=O)C2CN(C(C)=O)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000408294692 160078445 /nfs/dbraw/zinc/07/84/45/160078445.db2.gz OHVSZJLCOKHVOW-ZDUSSCGKSA-N 1 2 305.382 0.093 10 0 DCAELO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)CC(F)(F)F ZINC000408310725 160082423 /nfs/dbraw/zinc/08/24/23/160082423.db2.gz UDEYFEBTMCJFIZ-SECBINFHSA-N 1 2 303.350 0.104 10 0 DCAELO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)c1ccnc(S(C)(=O)=O)n1 ZINC000408357424 160091593 /nfs/dbraw/zinc/09/15/93/160091593.db2.gz WOOJZEYDYHAYMS-NXEZZACHSA-N 1 2 312.395 0.045 10 0 DCAELO COCC[N@@H+]1CCN(S(=O)(=O)[C@@H]2CCO[C@H](C)C2)C[C@H]1C ZINC000408457572 160112605 /nfs/dbraw/zinc/11/26/05/160112605.db2.gz POOOILCXJXBXDT-MGPQQGTHSA-N 1 2 320.455 0.536 10 0 DCAELO COCC[N@H+]1CCN(S(=O)(=O)[C@@H]2CCO[C@H](C)C2)C[C@H]1C ZINC000408457572 160112607 /nfs/dbraw/zinc/11/26/07/160112607.db2.gz POOOILCXJXBXDT-MGPQQGTHSA-N 1 2 320.455 0.536 10 0 DCAELO COc1cc(C)cc(C(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c1O ZINC000134390360 287016175 /nfs/dbraw/zinc/01/61/75/287016175.db2.gz RXLJRMCXZMBRKJ-JSGCOSHPSA-N 1 2 306.362 0.864 10 0 DCAELO COc1cc(C)cc(C(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1O ZINC000134390360 287016176 /nfs/dbraw/zinc/01/61/76/287016176.db2.gz RXLJRMCXZMBRKJ-JSGCOSHPSA-N 1 2 306.362 0.864 10 0 DCAELO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC000134335359 287015720 /nfs/dbraw/zinc/01/57/20/287015720.db2.gz TTXBFDPUPVHFFJ-GFCCVEGCSA-N 1 2 303.428 0.011 10 0 DCAELO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC000134335359 287015721 /nfs/dbraw/zinc/01/57/21/287015721.db2.gz TTXBFDPUPVHFFJ-GFCCVEGCSA-N 1 2 303.428 0.011 10 0 DCAELO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCCC1=CCCC1 ZINC000152226114 287039667 /nfs/dbraw/zinc/03/96/67/287039667.db2.gz QEAPSCNUZJNSFH-OAHLLOKOSA-N 1 2 311.426 0.821 10 0 DCAELO COC(=O)Cn1ncc2c1nc[nH+]c2N(C)Cc1nccn1C ZINC000301939628 287141743 /nfs/dbraw/zinc/14/17/43/287141743.db2.gz TWSURBQLGQRXET-UHFFFAOYSA-N 1 2 315.337 0.369 10 0 DCAELO Cn1c2c([nH+]c1[C@H]1CCCN1CC(=O)NC(N)=O)CCCC2 ZINC000276024267 415413355 /nfs/dbraw/zinc/41/33/55/415413355.db2.gz QVYJHTSUAXEKPO-GFCCVEGCSA-N 1 2 305.382 0.631 10 0 DCAELO CNC(=O)c1ccc(NC(=O)NC[C@H]2C[N@H+](C)CCO2)cc1 ZINC000105280160 415629335 /nfs/dbraw/zinc/62/93/35/415629335.db2.gz QLMSUBPDKOMGNA-ZDUSSCGKSA-N 1 2 306.366 0.498 10 0 DCAELO CNC(=O)c1ccc(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000105280160 415629345 /nfs/dbraw/zinc/62/93/45/415629345.db2.gz QLMSUBPDKOMGNA-ZDUSSCGKSA-N 1 2 306.366 0.498 10 0 DCAELO COc1cccc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c1O ZINC000105569937 415631681 /nfs/dbraw/zinc/63/16/81/415631681.db2.gz OUGZATYPZPQOPS-GFCCVEGCSA-N 1 2 306.362 0.948 10 0 DCAELO C[NH+](C)C[C@@H]1CN(Cc2nc(=O)c3sccc3[nH]2)CCO1 ZINC000107304962 415663409 /nfs/dbraw/zinc/66/34/09/415663409.db2.gz XTQHJYLJWCUVKJ-SNVBAGLBSA-N 1 2 308.407 0.747 10 0 DCAELO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000123286235 415839891 /nfs/dbraw/zinc/83/98/91/415839891.db2.gz JETLKGMIOQUBSC-AWEZNQCLSA-N 1 2 319.471 0.496 10 0 DCAELO C[C@H](NC(=O)c1ccoc1)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172767533 416047368 /nfs/dbraw/zinc/04/73/68/416047368.db2.gz FHOXAAMGFIHIFY-JSGCOSHPSA-N 1 2 321.377 0.331 10 0 DCAELO CC(C)Cn1cc[nH+]c1CNC(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000173241407 416055912 /nfs/dbraw/zinc/05/59/12/416055912.db2.gz KNCVSWHAHYWTCT-LBPRGKRZSA-N 1 2 307.398 0.959 10 0 DCAELO CC1(C)[C@H](NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)[C@H]2CCO[C@@H]21 ZINC000173894135 416066868 /nfs/dbraw/zinc/06/68/68/416066868.db2.gz KJEJNEJXLPHRSI-YJNKXOJESA-N 1 2 323.437 0.916 10 0 DCAELO CC1(C)[C@H](NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)[C@@H]2CCO[C@@H]21 ZINC000173894162 416068204 /nfs/dbraw/zinc/06/82/04/416068204.db2.gz KJEJNEJXLPHRSI-XQLPTFJDSA-N 1 2 323.437 0.916 10 0 DCAELO O=S(=O)(CC1CCOCC1)NC[C@@H]1CCn2cc[nH+]c2C1 ZINC000328614586 416122780 /nfs/dbraw/zinc/12/27/80/416122780.db2.gz ALBVFQDPLJKOCK-CYBMUJFWSA-N 1 2 313.423 0.792 10 0 DCAELO CCOCCS(=O)(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000176990246 416138731 /nfs/dbraw/zinc/13/87/31/416138731.db2.gz ZIQAUERWJBOZTB-QWHCGFSZSA-N 1 2 306.428 0.005 10 0 DCAELO COc1cccc([C@@H]2C[C@H]2C(=O)NC[C@@H]2C[NH+]3CCN2CC3)c1 ZINC000178616819 416166322 /nfs/dbraw/zinc/16/63/22/416166322.db2.gz LOUSCTJATXUTTA-HYVNUMGLSA-N 1 2 315.417 0.915 10 0 DCAELO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1S(=O)(=O)[C@@H]1CCCOC1 ZINC000329466742 416172124 /nfs/dbraw/zinc/17/21/24/416172124.db2.gz VTTQFWNSIDXJHY-MGPQQGTHSA-N 1 2 318.439 0.290 10 0 DCAELO Cc1ccc(C)c(NC(=O)C(=O)NC[C@@H]2C[NH+]3CCN2CC3)c1 ZINC000178960587 416179032 /nfs/dbraw/zinc/17/90/32/416179032.db2.gz NMFMIBUDHIRRRS-CQSZACIVSA-N 1 2 316.405 0.358 10 0 DCAELO O=C(/C=C/c1cncc(O)c1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000179500353 416188162 /nfs/dbraw/zinc/18/81/62/416188162.db2.gz MXIGRHZQBDOCRC-NTHKTCTLSA-N 1 2 303.362 0.780 10 0 DCAELO Cc1ocnc1CNC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000358182947 416208117 /nfs/dbraw/zinc/20/81/17/416208117.db2.gz DJZPNELMAJZEDP-UHFFFAOYSA-N 1 2 317.349 0.729 10 0 DCAELO CC(C)C[C@@H](CO)N(C)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000185389751 416253906 /nfs/dbraw/zinc/25/39/06/416253906.db2.gz SMFPANTXDKNKON-GJZGRUSLSA-N 1 2 314.474 0.671 10 0 DCAELO NC(=O)CCNC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000190242096 416276265 /nfs/dbraw/zinc/27/62/65/416276265.db2.gz RHKIGTGATZQXNC-UHFFFAOYSA-N 1 2 324.812 0.873 10 0 DCAELO NC(=O)CCNC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000190242096 416276268 /nfs/dbraw/zinc/27/62/68/416276268.db2.gz RHKIGTGATZQXNC-UHFFFAOYSA-N 1 2 324.812 0.873 10 0 DCAELO C[C@@H](O)CN(C(=O)NCc1ccc[nH+]c1N(C)C)[C@@H](C)CO ZINC000190278009 416278597 /nfs/dbraw/zinc/27/85/97/416278597.db2.gz JKUXDAFXJXYLSO-NWDGAFQWSA-N 1 2 310.398 0.421 10 0 DCAELO CC1=C(C(=O)NC[C@@H]2C[N@H+](C)CCO2)[C@H](C)n2ncnc2N1C ZINC000192197349 416302354 /nfs/dbraw/zinc/30/23/54/416302354.db2.gz ORAJMJILDQXNBG-NWDGAFQWSA-N 1 2 320.397 0.010 10 0 DCAELO CC1=C(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)[C@H](C)n2ncnc2N1C ZINC000192197349 416302359 /nfs/dbraw/zinc/30/23/59/416302359.db2.gz ORAJMJILDQXNBG-NWDGAFQWSA-N 1 2 320.397 0.010 10 0 DCAELO Cn1nc(Br)cc1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000191999053 416294860 /nfs/dbraw/zinc/29/48/60/416294860.db2.gz FXUBZYRBDUDXGN-MRVPVSSYSA-N 1 2 317.187 0.243 10 0 DCAELO Cn1nc(Br)cc1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000191999053 416294862 /nfs/dbraw/zinc/29/48/62/416294862.db2.gz FXUBZYRBDUDXGN-MRVPVSSYSA-N 1 2 317.187 0.243 10 0 DCAELO CCCCOCCNC(=O)Cn1ncc2c1nc[nH+]c2NC ZINC000194432558 416323623 /nfs/dbraw/zinc/32/36/23/416323623.db2.gz UZRZMJVGKANPFY-UHFFFAOYSA-N 1 2 306.370 0.801 10 0 DCAELO O=C(C[N@H+]1CCSC[C@H]1CCO)NC(=O)NC1CCCC1 ZINC000533019936 416471311 /nfs/dbraw/zinc/47/13/11/416471311.db2.gz LEKDBPYLLHTFJU-GFCCVEGCSA-N 1 2 315.439 0.555 10 0 DCAELO O=C(C[N@@H+]1CCSC[C@H]1CCO)NC(=O)NC1CCCC1 ZINC000533019936 416471315 /nfs/dbraw/zinc/47/13/15/416471315.db2.gz LEKDBPYLLHTFJU-GFCCVEGCSA-N 1 2 315.439 0.555 10 0 DCAELO COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3ncccn3)C2)nn1 ZINC000361755473 416491236 /nfs/dbraw/zinc/49/12/36/416491236.db2.gz QYJFBHQZBISCIW-LLVKDONJSA-N 1 2 302.338 0.692 10 0 DCAELO COC(=O)c1cn([C@@H]2CCC[N@@H+](Cc3ncccn3)C2)nn1 ZINC000361755473 416491238 /nfs/dbraw/zinc/49/12/38/416491238.db2.gz QYJFBHQZBISCIW-LLVKDONJSA-N 1 2 302.338 0.692 10 0 DCAELO c1ccc(Cn2nnnc2C[N@@H+]2CCN3CCOC[C@H]3C2)cc1 ZINC000543554501 416641228 /nfs/dbraw/zinc/64/12/28/416641228.db2.gz ALFXLFZHWBEFET-OAHLLOKOSA-N 1 2 314.393 0.238 10 0 DCAELO c1ccc(Cn2nnnc2C[N@H+]2CCN3CCOC[C@H]3C2)cc1 ZINC000543554501 416641233 /nfs/dbraw/zinc/64/12/33/416641233.db2.gz ALFXLFZHWBEFET-OAHLLOKOSA-N 1 2 314.393 0.238 10 0 DCAELO CCCN(C(=O)[C@@H](C)[N@H+](C)CCCO)[C@H]1CCS(=O)(=O)C1 ZINC000440946983 416653532 /nfs/dbraw/zinc/65/35/32/416653532.db2.gz WWLGJWYMZRKGRX-OLZOCXBDSA-N 1 2 320.455 0.115 10 0 DCAELO CCCN(C(=O)[C@@H](C)[N@@H+](C)CCCO)[C@H]1CCS(=O)(=O)C1 ZINC000440946983 416653537 /nfs/dbraw/zinc/65/35/37/416653537.db2.gz WWLGJWYMZRKGRX-OLZOCXBDSA-N 1 2 320.455 0.115 10 0 DCAELO C[C@@H](NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)[C@@H]1CCOC1 ZINC000557379268 416733329 /nfs/dbraw/zinc/73/33/29/416733329.db2.gz ZVBOWTRYRJOXTO-GHMZBOCLSA-N 1 2 302.334 0.814 10 0 DCAELO C[C@@H](CC1CC1)NC(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000369558932 416797265 /nfs/dbraw/zinc/79/72/65/416797265.db2.gz FACAVISSXWMKGE-WCQYABFASA-N 1 2 312.414 0.003 10 0 DCAELO C[C@@H](CC1CC1)NC(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000369558932 416797272 /nfs/dbraw/zinc/79/72/72/416797272.db2.gz FACAVISSXWMKGE-WCQYABFASA-N 1 2 312.414 0.003 10 0 DCAELO Nc1n[nH]cc1[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccccc1 ZINC000616638085 417087392 /nfs/dbraw/zinc/08/73/92/417087392.db2.gz GGHRYYIFVVEIBI-GFCCVEGCSA-N 1 2 307.379 0.327 10 0 DCAELO O=C(NCCCCn1cc[nH+]c1)N1CCN2CCOC[C@@H]2C1 ZINC000568449754 417137367 /nfs/dbraw/zinc/13/73/67/417137367.db2.gz RRWCZLBSDVSIQC-AWEZNQCLSA-N 1 2 307.398 0.389 10 0 DCAELO c1c(C[N@@H+]2CCC[C@H]2CN2CCOCC2)nnn1CC1CC1 ZINC000450444824 417229791 /nfs/dbraw/zinc/22/97/91/417229791.db2.gz ZSDQAVWKQTZAIS-INIZCTEOSA-N 1 2 305.426 0.985 10 0 DCAELO c1c(C[N@H+]2CCC[C@H]2CN2CCOCC2)nnn1CC1CC1 ZINC000450444824 417229798 /nfs/dbraw/zinc/22/97/98/417229798.db2.gz ZSDQAVWKQTZAIS-INIZCTEOSA-N 1 2 305.426 0.985 10 0 DCAELO CNC(=O)c1ccc(N2CCN(c3c[nH+]ccc3C)CC2)nn1 ZINC000570477525 417358718 /nfs/dbraw/zinc/35/87/18/417358718.db2.gz VTQNQIRJOIHKMU-UHFFFAOYSA-N 1 2 312.377 0.866 10 0 DCAELO Cn1cc(CC[N@@H+]2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)cn1 ZINC000571186261 417434032 /nfs/dbraw/zinc/43/40/32/417434032.db2.gz WXTADBJICKGNCT-KGLIPLIRSA-N 1 2 310.373 0.234 10 0 DCAELO Cn1cc(CC[N@H+]2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)cn1 ZINC000571186261 417434039 /nfs/dbraw/zinc/43/40/39/417434039.db2.gz WXTADBJICKGNCT-KGLIPLIRSA-N 1 2 310.373 0.234 10 0 DCAELO Cn1ncc(Br)c1CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000638880127 417575760 /nfs/dbraw/zinc/57/57/60/417575760.db2.gz WGFYUWBGNYLMGG-ZETCQYMHSA-N 1 2 323.141 0.796 10 0 DCAELO C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000105923161 261108012 /nfs/dbraw/zinc/10/80/12/261108012.db2.gz UANCKKPPBGAUCC-ZJUUUORDSA-N 1 2 305.304 0.982 10 0 DCAELO C[C@H](C(=O)NCC(F)(F)F)[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000105923161 261108015 /nfs/dbraw/zinc/10/80/15/261108015.db2.gz UANCKKPPBGAUCC-ZJUUUORDSA-N 1 2 305.304 0.982 10 0 DCAELO CN(C)c1[nH+]cccc1CNC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000188241639 261126221 /nfs/dbraw/zinc/12/62/21/261126221.db2.gz NXDXTXDBWPQAFX-UHFFFAOYSA-N 1 2 324.344 0.709 10 0 DCAELO CC(=O)c1cccc(OC[C@H](O)C[N@@H+]2CCO[C@H]([C@@H](C)O)C2)c1 ZINC000412070153 262180342 /nfs/dbraw/zinc/18/03/42/262180342.db2.gz JPJZBCRURZNABV-UNEWFSDZSA-N 1 2 323.389 0.711 10 0 DCAELO CC(=O)c1cccc(OC[C@H](O)C[N@H+]2CCO[C@H]([C@@H](C)O)C2)c1 ZINC000412070153 262180343 /nfs/dbraw/zinc/18/03/43/262180343.db2.gz JPJZBCRURZNABV-UNEWFSDZSA-N 1 2 323.389 0.711 10 0 DCAELO COCC(COC)[NH+]1CCN(C(=O)c2ccnn2C(C)C)CC1 ZINC000412434665 262189156 /nfs/dbraw/zinc/18/91/56/262189156.db2.gz ITIGGDPQWHACRP-UHFFFAOYSA-N 1 2 324.425 0.883 10 0 DCAELO COC[C@@H](O)CN1CCNC(=O)[C@@H]1c1c(C)[nH+]c2ccccn21 ZINC000361465434 271181626 /nfs/dbraw/zinc/18/16/26/271181626.db2.gz RCFVZJOKWINFEH-WFASDCNBSA-N 1 2 318.377 0.123 10 0 DCAELO COC(=O)C(C)(C)N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000494417300 272221911 /nfs/dbraw/zinc/22/19/11/272221911.db2.gz WKPBQXJFPSGLIJ-UHFFFAOYSA-N 1 2 311.426 0.568 10 0 DCAELO Cc1nc2n(n1)C[C@H](NC(=O)c1cc(-n3cc[nH+]c3)ccn1)CC2 ZINC000272434595 274854211 /nfs/dbraw/zinc/85/42/11/274854211.db2.gz OLUJAXMXXCLYGZ-GFCCVEGCSA-N 1 2 323.360 0.912 10 0 DCAELO O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CCSC[C@H]1CCO ZINC000536647532 287860472 /nfs/dbraw/zinc/86/04/72/287860472.db2.gz SBRYRKYVDYBVEW-LLVKDONJSA-N 1 2 319.390 0.602 10 0 DCAELO CC(=O)N[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(CC(F)(F)F)C2=O)C1 ZINC000195237717 277058455 /nfs/dbraw/zinc/05/84/55/277058455.db2.gz HMWVLNAIFCKXOW-VHSXEESVSA-N 1 2 321.299 0.277 10 0 DCAELO CC(=O)N[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(CC(F)(F)F)C2=O)C1 ZINC000195237717 277058456 /nfs/dbraw/zinc/05/84/56/277058456.db2.gz HMWVLNAIFCKXOW-VHSXEESVSA-N 1 2 321.299 0.277 10 0 DCAELO O=C(C1CCC1)N1CC[NH+](CCNc2nccc(CO)n2)CC1 ZINC000545928650 288006560 /nfs/dbraw/zinc/00/65/60/288006560.db2.gz OSWHDHXDXQXOFB-UHFFFAOYSA-N 1 2 319.409 0.325 10 0 DCAELO CC(=O)N1CSC[C@H]1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000195078975 278066830 /nfs/dbraw/zinc/06/68/30/278066830.db2.gz JPXOUJUBOSBSHE-LBPRGKRZSA-N 1 2 308.407 0.685 10 0 DCAELO Cc1nnc([C@H]2CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)CCO2)[nH]1 ZINC000548091791 288110697 /nfs/dbraw/zinc/11/06/97/288110697.db2.gz BIYSJRRRZPPVGR-CMPLNLGQSA-N 1 2 316.365 0.856 10 0 DCAELO Cc1nc([C@H]2CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)CCO2)n[nH]1 ZINC000548091791 288110699 /nfs/dbraw/zinc/11/06/99/288110699.db2.gz BIYSJRRRZPPVGR-CMPLNLGQSA-N 1 2 316.365 0.856 10 0 DCAELO CC[C@@H]1C(=O)N(CC)CC[N@H+]1CC1CCS(=O)(=O)CC1 ZINC000548299791 288129942 /nfs/dbraw/zinc/12/99/42/288129942.db2.gz XTTXBLXAWZNVEI-CYBMUJFWSA-N 1 2 302.440 0.754 10 0 DCAELO CC[C@@H]1C(=O)N(CC)CC[N@@H+]1CC1CCS(=O)(=O)CC1 ZINC000548299791 288129944 /nfs/dbraw/zinc/12/99/44/288129944.db2.gz XTTXBLXAWZNVEI-CYBMUJFWSA-N 1 2 302.440 0.754 10 0 DCAELO Cn1cc(OCC(=O)N2CC[NH2+][C@H](c3ccncc3)C2)cn1 ZINC000548885564 288184665 /nfs/dbraw/zinc/18/46/65/288184665.db2.gz QJEKMVCOAIMCJO-AWEZNQCLSA-N 1 2 301.350 0.367 10 0 DCAELO CN1CC[C@H]([N@H+](C)CC(=O)Nc2ccc3c(c2)OCO3)C1=O ZINC000552140298 288266079 /nfs/dbraw/zinc/26/60/79/288266079.db2.gz MHRRWRXTCPSKIO-NSHDSACASA-N 1 2 305.334 0.516 10 0 DCAELO CN1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc3c(c2)OCO3)C1=O ZINC000552140298 288266082 /nfs/dbraw/zinc/26/60/82/288266082.db2.gz MHRRWRXTCPSKIO-NSHDSACASA-N 1 2 305.334 0.516 10 0 DCAELO O=C(NC[C@H]1CCC[C@H](O)C1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000552743948 288279933 /nfs/dbraw/zinc/27/99/33/288279933.db2.gz NPYDPSZLGBKGNJ-AAEUAGOBSA-N 1 2 316.361 0.940 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@H]3CCc4n[nH]cc4C3)C[C@@H]21 ZINC000408021889 290082131 /nfs/dbraw/zinc/08/21/31/290082131.db2.gz JYPQPLROTZNFPO-AEGPPILISA-N 1 2 319.409 0.382 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@H]3CCc4n[nH]cc4C3)C[C@@H]21 ZINC000408021889 290082136 /nfs/dbraw/zinc/08/21/36/290082136.db2.gz JYPQPLROTZNFPO-AEGPPILISA-N 1 2 319.409 0.382 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(S(=O)(=O)N3CCCCCC3)C[C@H]21 ZINC000328841460 290087520 /nfs/dbraw/zinc/08/75/20/290087520.db2.gz PMFUTNIKJDYEDC-ZIAGYGMSSA-N 1 2 317.455 0.512 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(S(=O)(=O)N3CCCCCC3)C[C@H]21 ZINC000328841460 290087523 /nfs/dbraw/zinc/08/75/23/290087523.db2.gz PMFUTNIKJDYEDC-ZIAGYGMSSA-N 1 2 317.455 0.512 10 0 DCAELO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000246521354 298186645 /nfs/dbraw/zinc/18/66/45/298186645.db2.gz PHJPSCLDYZONFV-XGFWRYKXSA-N 1 2 311.426 0.644 10 0 DCAELO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000246521354 298186653 /nfs/dbraw/zinc/18/66/53/298186653.db2.gz PHJPSCLDYZONFV-XGFWRYKXSA-N 1 2 311.426 0.644 10 0 DCAELO Cc1cc(N2CC[C@@H]([N@@H+]3CCC4(C3)OCCO4)C2=O)n(C)n1 ZINC000173327456 301340844 /nfs/dbraw/zinc/34/08/44/301340844.db2.gz LNXIVILXJFNJLP-GFCCVEGCSA-N 1 2 306.366 0.283 10 0 DCAELO Cc1cc(N2CC[C@@H]([N@H+]3CCC4(C3)OCCO4)C2=O)n(C)n1 ZINC000173327456 301340849 /nfs/dbraw/zinc/34/08/49/301340849.db2.gz LNXIVILXJFNJLP-GFCCVEGCSA-N 1 2 306.366 0.283 10 0 DCAELO CC(=O)c1cc(C)cn2c(=O)cc(N3CC[NH+](C)CC3)nc12 ZINC000584654559 337377717 /nfs/dbraw/zinc/37/77/17/337377717.db2.gz DAFSUYNNKWBIFT-UHFFFAOYSA-N 1 2 300.362 0.957 10 0 DCAELO CC(C)CC[C@](C)(O)CNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000154744821 519695283 /nfs/dbraw/zinc/69/52/83/519695283.db2.gz QAZCEOUXWHCOHK-HIFRSBDPSA-N 1 2 301.431 0.803 10 0 DCAELO CC(C)CC[C@](C)(O)CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000154744821 519695285 /nfs/dbraw/zinc/69/52/85/519695285.db2.gz QAZCEOUXWHCOHK-HIFRSBDPSA-N 1 2 301.431 0.803 10 0 DCAELO CCOCC[N@@H+]1CCN(S(=O)(=O)c2cccnc2)C[C@@H]1C ZINC000117369045 519923047 /nfs/dbraw/zinc/92/30/47/519923047.db2.gz XYSZHTAOACCWCX-ZDUSSCGKSA-N 1 2 313.423 0.813 10 0 DCAELO CCOCC[N@H+]1CCN(S(=O)(=O)c2cccnc2)C[C@@H]1C ZINC000117369045 519923052 /nfs/dbraw/zinc/92/30/52/519923052.db2.gz XYSZHTAOACCWCX-ZDUSSCGKSA-N 1 2 313.423 0.813 10 0 DCAELO CCOC(=O)C1(O)CCN(c2ncnc3c2C[N@H+](C)CC3)CC1 ZINC000266249252 520472937 /nfs/dbraw/zinc/47/29/37/520472937.db2.gz MTMFRCDLGWVJEA-UHFFFAOYSA-N 1 2 320.393 0.359 10 0 DCAELO CCOC(=O)C1(O)CCN(c2ncnc3c2C[N@@H+](C)CC3)CC1 ZINC000266249252 520472944 /nfs/dbraw/zinc/47/29/44/520472944.db2.gz MTMFRCDLGWVJEA-UHFFFAOYSA-N 1 2 320.393 0.359 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@@H](C)OC)nc[nH+]1 ZINC000190633415 522569859 /nfs/dbraw/zinc/56/98/59/522569859.db2.gz HONINXOORGJOKG-NEPJUHHUSA-N 1 2 322.413 0.821 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@@H](C)OC)[nH+]cn1 ZINC000190633415 522569872 /nfs/dbraw/zinc/56/98/72/522569872.db2.gz HONINXOORGJOKG-NEPJUHHUSA-N 1 2 322.413 0.821 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(OCC(F)F)nc2)C1 ZINC000129409865 523938554 /nfs/dbraw/zinc/93/85/54/523938554.db2.gz ZFHSHWDJGWGNOC-NSHDSACASA-N 1 2 315.320 0.786 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(OCC(F)F)nc2)C1 ZINC000129409865 523938559 /nfs/dbraw/zinc/93/85/59/523938559.db2.gz ZFHSHWDJGWGNOC-NSHDSACASA-N 1 2 315.320 0.786 10 0 DCAELO C[C@@H](CNC(=O)Cc1c[nH]c2ncccc12)[NH+]1CCOCC1 ZINC000155822557 524658270 /nfs/dbraw/zinc/65/82/70/524658270.db2.gz QCQVKHITQVHATQ-LBPRGKRZSA-N 1 2 302.378 0.942 10 0 DCAELO C[C@H](c1cnn(C)c1)[N@H+](C)CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000246214159 526167696 /nfs/dbraw/zinc/16/76/96/526167696.db2.gz XTHNWSNYEFZDHB-VXGBXAGGSA-N 1 2 307.398 0.137 10 0 DCAELO C[C@H](c1cnn(C)c1)[N@@H+](C)CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000246214159 526167703 /nfs/dbraw/zinc/16/77/03/526167703.db2.gz XTHNWSNYEFZDHB-VXGBXAGGSA-N 1 2 307.398 0.137 10 0 DCAELO C[C@@H](c1nnnn1C)[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000189139540 526189403 /nfs/dbraw/zinc/18/94/03/526189403.db2.gz NAQLFHJBXKVKSJ-NSHDSACASA-N 1 2 302.386 0.662 10 0 DCAELO COc1cccc(OC)c1CC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000157998604 526221352 /nfs/dbraw/zinc/22/13/52/526221352.db2.gz HZXQZVQFIKUHDK-GFCCVEGCSA-N 1 2 308.378 0.693 10 0 DCAELO COc1cccc(OC)c1CC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000157998604 526221358 /nfs/dbraw/zinc/22/13/58/526221358.db2.gz HZXQZVQFIKUHDK-GFCCVEGCSA-N 1 2 308.378 0.693 10 0 DCAELO CC(=O)[C@](C)(O)C[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000330867657 527153535 /nfs/dbraw/zinc/15/35/35/527153535.db2.gz YDHPXAASVBHVNH-MRXNPFEDSA-N 1 2 308.353 0.924 10 0 DCAELO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000332885877 546064979 /nfs/dbraw/zinc/06/49/79/546064979.db2.gz GQPZZTUAWNURNF-KBPBESRZSA-N 1 2 307.398 0.388 10 0 DCAELO O=C(NC[C@@H]1CCCC[C@@H]1O)NCC1([NH+]2CCOCC2)CC1 ZINC000333181509 546073751 /nfs/dbraw/zinc/07/37/51/546073751.db2.gz SMCVNMDXGMOBDD-KBPBESRZSA-N 1 2 311.426 0.702 10 0 DCAELO CC(C)[C@@H](C)NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000069043752 665462568 /nfs/dbraw/zinc/46/25/68/665462568.db2.gz JKPQVOFABHDTLF-GFCCVEGCSA-N 1 2 319.471 0.839 10 0 DCAELO COC(=O)[C@@H]1CC(=O)N(C[N@H+](C)CCc2ncc(C)s2)C1 ZINC000181391307 665569340 /nfs/dbraw/zinc/56/93/40/665569340.db2.gz SFEMODPAPJCOEX-LLVKDONJSA-N 1 2 311.407 0.905 10 0 DCAELO COC(=O)[C@@H]1CC(=O)N(C[N@@H+](C)CCc2ncc(C)s2)C1 ZINC000181391307 665569341 /nfs/dbraw/zinc/56/93/41/665569341.db2.gz SFEMODPAPJCOEX-LLVKDONJSA-N 1 2 311.407 0.905 10 0 DCAELO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1nc(CC(N)=O)cs1)C2 ZINC000220612170 658544016 /nfs/dbraw/zinc/54/40/16/658544016.db2.gz SBQYWJNTNNQLMU-MRVPVSSYSA-N 1 2 319.390 0.946 10 0 DCAELO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1nc(CC(N)=O)cs1)CC2 ZINC000220612170 658544018 /nfs/dbraw/zinc/54/40/18/658544018.db2.gz SBQYWJNTNNQLMU-MRVPVSSYSA-N 1 2 319.390 0.946 10 0 DCAELO COC(=O)c1cn(C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)nn1 ZINC000054521609 662884294 /nfs/dbraw/zinc/88/42/94/662884294.db2.gz RHMKRLPYSUKFTF-GFCCVEGCSA-N 1 2 321.381 0.260 10 0 DCAELO COC(=O)c1cn(C[N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)nn1 ZINC000054521609 662884296 /nfs/dbraw/zinc/88/42/96/662884296.db2.gz RHMKRLPYSUKFTF-GFCCVEGCSA-N 1 2 321.381 0.260 10 0 DCAELO O=C(N[C@@H]1CCc2[nH+]ccn2C1)c1cccc2[nH]c(CO)nc21 ZINC000906434570 663615335 /nfs/dbraw/zinc/61/53/35/663615335.db2.gz RZHNIJWGHAXCOG-SNVBAGLBSA-N 1 2 311.345 0.997 10 0 DCAELO O=C1c2ccccc2C(=O)N1CN1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172962499 664626286 /nfs/dbraw/zinc/62/62/86/664626286.db2.gz QTARNKUMBWFQQQ-ZDUSSCGKSA-N 1 2 315.373 0.647 10 0 DCAELO Cn1cc(C[C@H]2CC(=O)N(C[N@H+](C)C[C@@H]3CCCO3)C2=O)cn1 ZINC000173895781 664633346 /nfs/dbraw/zinc/63/33/46/664633346.db2.gz UHFDRFMVOQXQNJ-KBPBESRZSA-N 1 2 320.393 0.406 10 0 DCAELO Cn1cc(C[C@H]2CC(=O)N(C[N@@H+](C)C[C@@H]3CCCO3)C2=O)cn1 ZINC000173895781 664633348 /nfs/dbraw/zinc/63/33/48/664633348.db2.gz UHFDRFMVOQXQNJ-KBPBESRZSA-N 1 2 320.393 0.406 10 0 DCAELO CCn1cc(C2CC[NH+](CN3C(=O)C(=O)N(C)C3=O)CC2)cn1 ZINC000152167213 664738031 /nfs/dbraw/zinc/73/80/31/664738031.db2.gz OEADQXORHXZYNW-UHFFFAOYSA-N 1 2 319.365 0.461 10 0 DCAELO CC[S@@](=O)CCNC(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000741074434 667758107 /nfs/dbraw/zinc/75/81/07/667758107.db2.gz MATRYJWVFDDZAT-BIBXISHDSA-N 1 2 301.412 0.950 10 0 DCAELO NC(=O)[C@@H]1CC[C@H](C(=O)NC/C=C/CO)[N@@H+]1Cc1ccccc1 ZINC000880672323 669256705 /nfs/dbraw/zinc/25/67/05/669256705.db2.gz VQKKMLOOQFFFDY-SSBHQGKESA-N 1 2 317.389 0.170 10 0 DCAELO NC(=O)[C@@H]1CC[C@H](C(=O)NC/C=C/CO)[N@H+]1Cc1ccccc1 ZINC000880672323 669256709 /nfs/dbraw/zinc/25/67/09/669256709.db2.gz VQKKMLOOQFFFDY-SSBHQGKESA-N 1 2 317.389 0.170 10 0 DCAELO CC[C@@H]1CN(S(=O)(=O)N(C)C(C)C)CC[N@@H+]1CCOC ZINC000117371841 671198109 /nfs/dbraw/zinc/19/81/09/671198109.db2.gz YCWDSYOSMBQLJB-CYBMUJFWSA-N 1 2 307.460 0.614 10 0 DCAELO CC[C@@H]1CN(S(=O)(=O)N(C)C(C)C)CC[N@H+]1CCOC ZINC000117371841 671198111 /nfs/dbraw/zinc/19/81/11/671198111.db2.gz YCWDSYOSMBQLJB-CYBMUJFWSA-N 1 2 307.460 0.614 10 0 DCAELO CC(C)C[C@H]1NC(=O)N(CN2CC[C@@H]([NH+]3CCOCC3)C2)C1=O ZINC000246869019 685167594 /nfs/dbraw/zinc/16/75/94/685167594.db2.gz GABZZYNUFKXXNF-ZIAGYGMSSA-N 1 2 324.425 0.317 10 0 DCAELO CC(C)C[C@H]1NC(=O)N(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)C1=O ZINC000246869019 685167597 /nfs/dbraw/zinc/16/75/97/685167597.db2.gz GABZZYNUFKXXNF-ZIAGYGMSSA-N 1 2 324.425 0.317 10 0 DCAELO CC(C)C[C@H]1NC(=O)N(C[N@H+]2CC[C@@H](N3CCOCC3)C2)C1=O ZINC000246869019 685167604 /nfs/dbraw/zinc/16/76/04/685167604.db2.gz GABZZYNUFKXXNF-ZIAGYGMSSA-N 1 2 324.425 0.317 10 0 DCAELO CC[NH+]1CCN(C2CN(C(=O)c3cc(C4CC4)[nH]n3)C2)CC1 ZINC000585562173 1158113057 /nfs/dbraw/zinc/11/30/57/1158113057.db2.gz SJZYGQSIAOIHLW-UHFFFAOYSA-N 1 2 303.410 0.749 10 0 DCAELO Cn1c2c([nH+]c1[C@H]1CCCN1C(=O)Cn1cnnn1)CCCC2 ZINC000279152121 214661007 /nfs/dbraw/zinc/66/10/07/214661007.db2.gz HLBUMMQWHJLCNG-CYBMUJFWSA-N 1 2 315.381 0.649 10 0 DCAELO CN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000173985607 282373574 /nfs/dbraw/zinc/37/35/74/282373574.db2.gz HGZMKBQBJFPPTM-LLVKDONJSA-N 1 2 309.332 0.414 10 0 DCAELO CN(CC(F)(F)F)C(=O)C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000173985607 282373575 /nfs/dbraw/zinc/37/35/75/282373575.db2.gz HGZMKBQBJFPPTM-LLVKDONJSA-N 1 2 309.332 0.414 10 0 DCAELO CN(CC(F)(F)F)C(=O)CN1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173985607 282373577 /nfs/dbraw/zinc/37/35/77/282373577.db2.gz HGZMKBQBJFPPTM-LLVKDONJSA-N 1 2 309.332 0.414 10 0 DCAELO Cn1cc[nH+]c1[C@H]1CN(Cc2nnnn2C2CC2)CCN1C ZINC000279918053 215236504 /nfs/dbraw/zinc/23/65/04/215236504.db2.gz FGHCWEDUWHUXBS-GFCCVEGCSA-N 1 2 302.386 0.230 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)N2CCC(Cn3cccn3)CC2)C1 ZINC000172376128 198087672 /nfs/dbraw/zinc/08/76/72/198087672.db2.gz KYHZYSKGJNTWQO-OAHLLOKOSA-N 1 2 321.425 0.635 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)N2CCC(Cn3cccn3)CC2)C1 ZINC000172376128 198087674 /nfs/dbraw/zinc/08/76/74/198087674.db2.gz KYHZYSKGJNTWQO-OAHLLOKOSA-N 1 2 321.425 0.635 10 0 DCAELO CCN(C)S(=O)(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000072677009 191212778 /nfs/dbraw/zinc/21/27/78/191212778.db2.gz ORWZOWFOXLIUJS-CYBMUJFWSA-N 1 2 307.460 0.519 10 0 DCAELO COCc1cc(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)no1 ZINC000173407425 198212022 /nfs/dbraw/zinc/21/20/22/198212022.db2.gz LUHLWBZSSLSAKL-SMDDNHRTSA-N 1 2 309.366 0.614 10 0 DCAELO C[C@@H]1CN(C(=O)[C@H](O)c2ccccc2)C[C@@H]1[NH+]1CCOCC1 ZINC000173417287 198212026 /nfs/dbraw/zinc/21/20/26/198212026.db2.gz LOPNWQOTPYRGQT-VNQPRFMTSA-N 1 2 304.390 0.899 10 0 DCAELO Cc1cc(NC(=O)C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)no1 ZINC000173963186 198274456 /nfs/dbraw/zinc/27/44/56/198274456.db2.gz UXTMAKKZCLDQTM-JQWIXIFHSA-N 1 2 322.365 0.101 10 0 DCAELO O=C(N[C@@H]1CC(=O)N(C2CC2)C1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177597540 198749923 /nfs/dbraw/zinc/74/99/23/198749923.db2.gz LNIGFRKXZIEODC-TZMCWYRMSA-N 1 2 317.393 0.820 10 0 DCAELO COC(=O)CNC(=O)C[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000180867845 199221407 /nfs/dbraw/zinc/22/14/07/199221407.db2.gz LVGVWAQANBDUGK-NSHDSACASA-N 1 2 321.381 0.082 10 0 DCAELO COC(=O)CNC(=O)C[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000180867845 199221409 /nfs/dbraw/zinc/22/14/09/199221409.db2.gz LVGVWAQANBDUGK-NSHDSACASA-N 1 2 321.381 0.082 10 0 DCAELO Cc1cnn(C[C@@H]2CN(CCC[NH+]3CCOCC3)CCO2)c1 ZINC000173695275 237164929 /nfs/dbraw/zinc/16/49/29/237164929.db2.gz IFZITJDCWAZSKW-INIZCTEOSA-N 1 2 308.426 0.615 10 0 DCAELO C[C@H]1CN(C(=O)c2cc(F)c(F)c(O)c2F)CC[N@@H+]1CCO ZINC000187274272 200087117 /nfs/dbraw/zinc/08/71/17/200087117.db2.gz AMVPKQPKCKAQPU-QMMMGPOBSA-N 1 2 318.295 0.948 10 0 DCAELO C[C@H]1CN(C(=O)c2cc(F)c(F)c(O)c2F)CC[N@H+]1CCO ZINC000187274272 200087118 /nfs/dbraw/zinc/08/71/18/200087118.db2.gz AMVPKQPKCKAQPU-QMMMGPOBSA-N 1 2 318.295 0.948 10 0 DCAELO C[C@@](O)(CNC(=O)c1c(O)cccc1F)C[NH+]1CCOCC1 ZINC000187515338 200122478 /nfs/dbraw/zinc/12/24/78/200122478.db2.gz PJDAYLRRDWXVGC-OAHLLOKOSA-N 1 2 312.341 0.344 10 0 DCAELO C[C@@H](CS(C)(=O)=O)NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000174901188 295996597 /nfs/dbraw/zinc/99/65/97/295996597.db2.gz PMEQGSVICZUFJH-NWDGAFQWSA-N 1 2 301.412 0.075 10 0 DCAELO CC[C@@H]1C[N@H+](CC(=O)N2CCNC2=O)CCN1CC(F)F ZINC000153664045 291207828 /nfs/dbraw/zinc/20/78/28/291207828.db2.gz XNFLAITWUDRXPS-SNVBAGLBSA-N 1 2 304.341 0.200 10 0 DCAELO CC[C@@H]1C[N@@H+](CC(=O)N2CCNC2=O)CCN1CC(F)F ZINC000153664045 291207829 /nfs/dbraw/zinc/20/78/29/291207829.db2.gz XNFLAITWUDRXPS-SNVBAGLBSA-N 1 2 304.341 0.200 10 0 DCAELO O=C(NC[C@@H]1CCCCO1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000568861538 291449606 /nfs/dbraw/zinc/44/96/06/291449606.db2.gz NFUDIUSFAVSVNH-LBPRGKRZSA-N 1 2 302.334 0.958 10 0 DCAELO CS[C@@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000569876619 291500625 /nfs/dbraw/zinc/50/06/25/291500625.db2.gz RAEFDRZVVOUUTA-ONGXEEELSA-N 1 2 322.390 0.501 10 0 DCAELO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)CCC2(C)CC2)C[C@H]1C ZINC000329447845 296186257 /nfs/dbraw/zinc/18/62/57/296186257.db2.gz OEFNYFVOZDNPFR-CHWSQXEVSA-N 1 2 304.456 0.893 10 0 DCAELO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)CCC2(C)CC2)C[C@H]1C ZINC000329447845 296186259 /nfs/dbraw/zinc/18/62/59/296186259.db2.gz OEFNYFVOZDNPFR-CHWSQXEVSA-N 1 2 304.456 0.893 10 0 DCAELO C[C@@H]1C(=O)NCCC[N@H+]1CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000189293608 296260199 /nfs/dbraw/zinc/26/01/99/296260199.db2.gz AEUHHKLLAQAXEW-MNOVXSKESA-N 1 2 321.343 0.998 10 0 DCAELO C[C@@H]1C(=O)NCCC[N@@H+]1CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000189293608 296260201 /nfs/dbraw/zinc/26/02/01/296260201.db2.gz AEUHHKLLAQAXEW-MNOVXSKESA-N 1 2 321.343 0.998 10 0 DCAELO Cc1[nH]ncc1CNS(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000042356872 183258352 /nfs/dbraw/zinc/25/83/52/183258352.db2.gz IQRVKZMKFGKGLC-UHFFFAOYSA-N 1 2 300.409 0.759 10 0 DCAELO CNC(=O)c1cccc(NC(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000105283153 194093089 /nfs/dbraw/zinc/09/30/89/194093089.db2.gz QUTKSQRZKHPEKY-ZDUSSCGKSA-N 1 2 306.366 0.498 10 0 DCAELO CNC(=O)c1cccc(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000105283153 194093094 /nfs/dbraw/zinc/09/30/94/194093094.db2.gz QUTKSQRZKHPEKY-ZDUSSCGKSA-N 1 2 306.366 0.498 10 0 DCAELO C[C@@H]1CCCCN1S(=O)(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000328901575 296317516 /nfs/dbraw/zinc/31/75/16/296317516.db2.gz ZGLGKNNOVGEHPO-HZSPNIEDSA-N 1 2 317.455 0.511 10 0 DCAELO C[C@@H]1CCCCN1S(=O)(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000328901575 296317518 /nfs/dbraw/zinc/31/75/18/296317518.db2.gz ZGLGKNNOVGEHPO-HZSPNIEDSA-N 1 2 317.455 0.511 10 0 DCAELO CC(=O)CCCC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000351976110 254386500 /nfs/dbraw/zinc/38/65/00/254386500.db2.gz SLHKFMCVNGIPOR-CYBMUJFWSA-N 1 2 320.393 0.787 10 0 DCAELO COC[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)CC(C)(C)O1 ZINC000408031901 285299890 /nfs/dbraw/zinc/29/98/90/285299890.db2.gz YIZNFQMLWHLSJB-ZDUSSCGKSA-N 1 2 305.440 0.937 10 0 DCAELO COC[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)CC(C)(C)O1 ZINC000408031901 285299891 /nfs/dbraw/zinc/29/98/91/285299891.db2.gz YIZNFQMLWHLSJB-ZDUSSCGKSA-N 1 2 305.440 0.937 10 0 DCAELO CNC(=O)[C@@H]1C[C@H]2CN(C(=O)c3sccc3C)C[C@H]2[N@@H+]1C ZINC000248004899 257111401 /nfs/dbraw/zinc/11/14/01/257111401.db2.gz BQBNDJWDGMVXBW-SDDRHHMPSA-N 1 2 307.419 0.947 10 0 DCAELO CNC(=O)[C@@H]1C[C@H]2CN(C(=O)c3sccc3C)C[C@H]2[N@H+]1C ZINC000248004899 257111402 /nfs/dbraw/zinc/11/14/02/257111402.db2.gz BQBNDJWDGMVXBW-SDDRHHMPSA-N 1 2 307.419 0.947 10 0 DCAELO CS(=O)(=O)N1Cc2c[nH+]cn2[C@@H](C(=O)NCc2ccco2)C1 ZINC000247563530 257118820 /nfs/dbraw/zinc/11/88/20/257118820.db2.gz ZNBVXJMFLYMCFB-GFCCVEGCSA-N 1 2 324.362 0.109 10 0 DCAELO COCc1ccc(CN2CCO[C@H](C[N@H+](C)CC(N)=O)C2)cc1 ZINC000275804807 130388294 /nfs/dbraw/zinc/38/82/94/130388294.db2.gz TVGCCJUKHBMQRB-MRXNPFEDSA-N 1 2 321.421 0.451 10 0 DCAELO COCc1ccc(CN2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)cc1 ZINC000275804807 130388298 /nfs/dbraw/zinc/38/82/98/130388298.db2.gz TVGCCJUKHBMQRB-MRXNPFEDSA-N 1 2 321.421 0.451 10 0 DCAELO COc1cccc(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)c1O ZINC000284495847 131085873 /nfs/dbraw/zinc/08/58/73/131085873.db2.gz NGCVLLKIUXJQPO-CHWSQXEVSA-N 1 2 306.362 0.946 10 0 DCAELO CC(C)c1nc(N2CC[C@H]3[C@@H](C2)NC(=O)N3C)nc(N(C)C)[nH+]1 ZINC000284598926 131096044 /nfs/dbraw/zinc/09/60/44/131096044.db2.gz PTIRNWMEINWOSK-MNOVXSKESA-N 1 2 319.413 0.663 10 0 DCAELO CC(C)c1nc(N(C)C)nc(N2CC[C@H]3[C@@H](C2)NC(=O)N3C)[nH+]1 ZINC000284598926 131096045 /nfs/dbraw/zinc/09/60/45/131096045.db2.gz PTIRNWMEINWOSK-MNOVXSKESA-N 1 2 319.413 0.663 10 0 DCAELO C[C@@H](NC(=O)CNC(=O)c1cccnc1)[C@@H](C)[NH+]1CCOCC1 ZINC000163961967 132128449 /nfs/dbraw/zinc/12/84/49/132128449.db2.gz PAYYSEGTFPLXFO-CHWSQXEVSA-N 1 2 320.393 0.037 10 0 DCAELO CC(C)CC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000043618742 395753764 /nfs/dbraw/zinc/75/37/64/395753764.db2.gz VVPYLBHOYCJTAJ-AWEZNQCLSA-N 1 2 311.426 0.424 10 0 DCAELO Cc1nn(C)c(C)c1S(=O)(=O)NCc1ccc[nH+]c1N(C)C ZINC000042994724 395751194 /nfs/dbraw/zinc/75/11/94/395751194.db2.gz FSFSDTZFSZTOPC-UHFFFAOYSA-N 1 2 323.422 0.976 10 0 DCAELO CC(C)N1CCO[C@H](C[NH+]2CCN(Cc3nncn3C)CC2)C1 ZINC000105846179 395780779 /nfs/dbraw/zinc/78/07/79/395780779.db2.gz YQYRGTQRLLPDRV-OAHLLOKOSA-N 1 2 322.457 0.042 10 0 DCAELO Cc1cc2c(cc1C[N@@H+]1CC[NH2+]C[C@H](C(=O)[O-])C1)OCCO2 ZINC000097547565 395758814 /nfs/dbraw/zinc/75/88/14/395758814.db2.gz CTUPRXFJHMRQAG-ZDUSSCGKSA-N 1 2 306.362 0.872 10 0 DCAELO Cc1cc2c(cc1C[N@H+]1CC[NH2+]C[C@H](C(=O)[O-])C1)OCCO2 ZINC000097547565 395758815 /nfs/dbraw/zinc/75/88/15/395758815.db2.gz CTUPRXFJHMRQAG-ZDUSSCGKSA-N 1 2 306.362 0.872 10 0 DCAELO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1cc(N2CCCC2)ccn1 ZINC000194937816 395811725 /nfs/dbraw/zinc/81/17/25/395811725.db2.gz XATCXWQKNINIOU-HNNXBMFYSA-N 1 2 315.421 0.411 10 0 DCAELO NC(=O)N1CCC[N@H+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)CC1 ZINC000111688383 395812594 /nfs/dbraw/zinc/81/25/94/395812594.db2.gz LAJPMAQWMIPLTR-KGLIPLIRSA-N 1 2 324.425 0.243 10 0 DCAELO NC(=O)N1CCC[N@@H+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)CC1 ZINC000111688383 395812598 /nfs/dbraw/zinc/81/25/98/395812598.db2.gz LAJPMAQWMIPLTR-KGLIPLIRSA-N 1 2 324.425 0.243 10 0 DCAELO O=C(CS(=O)(=O)C1CCCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195333475 395825695 /nfs/dbraw/zinc/82/56/95/395825695.db2.gz XOPUWRJXMFUDLX-LBPRGKRZSA-N 1 2 300.424 0.650 10 0 DCAELO O=C(CS(=O)(=O)C1CCCC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000195333475 395825697 /nfs/dbraw/zinc/82/56/97/395825697.db2.gz XOPUWRJXMFUDLX-LBPRGKRZSA-N 1 2 300.424 0.650 10 0 DCAELO CCOC(=O)CN(C)C(=O)C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114483316 395834885 /nfs/dbraw/zinc/83/48/85/395834885.db2.gz OFMWMUPMRBEUHD-ZDUSSCGKSA-N 1 2 308.382 0.958 10 0 DCAELO CCOC(=O)CN(C)C(=O)C[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114483316 395834889 /nfs/dbraw/zinc/83/48/89/395834889.db2.gz OFMWMUPMRBEUHD-ZDUSSCGKSA-N 1 2 308.382 0.958 10 0 DCAELO Cc1ccc(F)c(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000118115270 395860157 /nfs/dbraw/zinc/86/01/57/395860157.db2.gz MVYMQFSVDUDAOU-LLVKDONJSA-N 1 2 309.341 0.519 10 0 DCAELO Cc1ccc(F)c(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000118115270 395860164 /nfs/dbraw/zinc/86/01/64/395860164.db2.gz MVYMQFSVDUDAOU-LLVKDONJSA-N 1 2 309.341 0.519 10 0 DCAELO Cc1sc(=O)n(CCC(=O)NC[C@H]2C[N@H+](C)CCO2)c1C ZINC000115351403 395839405 /nfs/dbraw/zinc/83/94/05/395839405.db2.gz YLBDSZHHMPSCFG-LBPRGKRZSA-N 1 2 313.423 0.364 10 0 DCAELO Cc1sc(=O)n(CCC(=O)NC[C@H]2C[N@@H+](C)CCO2)c1C ZINC000115351403 395839407 /nfs/dbraw/zinc/83/94/07/395839407.db2.gz YLBDSZHHMPSCFG-LBPRGKRZSA-N 1 2 313.423 0.364 10 0 DCAELO CN1CC[C@H]([NH+]2CCN(Cc3cnn(C(C)(C)C)c3)CC2)C1=O ZINC000116278268 395842798 /nfs/dbraw/zinc/84/27/98/395842798.db2.gz HLCGVXKBNXFGHK-HNNXBMFYSA-N 1 2 319.453 0.986 10 0 DCAELO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116419337 395843838 /nfs/dbraw/zinc/84/38/38/395843838.db2.gz BCGHZWXRGVFGST-ZIAGYGMSSA-N 1 2 321.425 0.640 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)CCOc2ccc(C=O)cc2)C1 ZINC000109264567 395797441 /nfs/dbraw/zinc/79/74/41/395797441.db2.gz PRDDRJKXPRRYMO-OAHLLOKOSA-N 1 2 306.362 0.715 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)CCOc2ccc(C=O)cc2)C1 ZINC000109264567 395797444 /nfs/dbraw/zinc/79/74/44/395797444.db2.gz PRDDRJKXPRRYMO-OAHLLOKOSA-N 1 2 306.362 0.715 10 0 DCAELO O=C(NCc1cccnc1-n1cc[nH+]c1)N1CCC[C@H]1CO ZINC000118568133 395863082 /nfs/dbraw/zinc/86/30/82/395863082.db2.gz YODJLQGBYBZTQV-ZDUSSCGKSA-N 1 2 301.350 0.934 10 0 DCAELO COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CC(CO)C1)CC2 ZINC000122426355 395886114 /nfs/dbraw/zinc/88/61/14/395886114.db2.gz SHYSAZLXPSEPAN-UHFFFAOYSA-N 1 2 320.389 0.513 10 0 DCAELO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CC(CO)C1)CC2 ZINC000122426355 395886119 /nfs/dbraw/zinc/88/61/19/395886119.db2.gz SHYSAZLXPSEPAN-UHFFFAOYSA-N 1 2 320.389 0.513 10 0 DCAELO C[C@H]1CN(Cc2ccc(C(=O)N(C)C)[nH]2)C[C@H]1[NH+]1CCOCC1 ZINC000245692158 395933990 /nfs/dbraw/zinc/93/39/90/395933990.db2.gz BQKQYJCIGBSXFC-XJKSGUPXSA-N 1 2 320.437 0.869 10 0 DCAELO Cc1n[nH]c(C)c1[C@H](C)CC(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000135574661 395941271 /nfs/dbraw/zinc/94/12/71/395941271.db2.gz DACYHCNQMOFLGI-RISCZKNCSA-N 1 2 324.425 0.329 10 0 DCAELO Cc1cc(NC(=O)CN2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)on1 ZINC000246404487 395949155 /nfs/dbraw/zinc/94/91/55/395949155.db2.gz JSACFHDYYHAXPK-YPMHNXCESA-N 1 2 308.382 0.574 10 0 DCAELO Cc1cc(NC(=O)C[N@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)on1 ZINC000246404487 395949157 /nfs/dbraw/zinc/94/91/57/395949157.db2.gz JSACFHDYYHAXPK-YPMHNXCESA-N 1 2 308.382 0.574 10 0 DCAELO Cc1cc(NC(=O)C[N@@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)on1 ZINC000246404487 395949158 /nfs/dbraw/zinc/94/91/58/395949158.db2.gz JSACFHDYYHAXPK-YPMHNXCESA-N 1 2 308.382 0.574 10 0 DCAELO COCCCS(=O)(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000246612847 395954360 /nfs/dbraw/zinc/95/43/60/395954360.db2.gz XAKZSTTZSASUKE-CHWSQXEVSA-N 1 2 306.428 0.005 10 0 DCAELO CC(C)S(=O)(=O)CCCN1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246817528 395958528 /nfs/dbraw/zinc/95/85/28/395958528.db2.gz YWWSTERDMHAUPW-KGLIPLIRSA-N 1 2 306.472 0.587 10 0 DCAELO CC(C)S(=O)(=O)CCCN1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246817528 395958531 /nfs/dbraw/zinc/95/85/31/395958531.db2.gz YWWSTERDMHAUPW-KGLIPLIRSA-N 1 2 306.472 0.587 10 0 DCAELO CCCCn1nccc1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000152090457 396000287 /nfs/dbraw/zinc/00/02/87/396000287.db2.gz LIEDSVRQXYTJTI-UHFFFAOYSA-N 1 2 319.409 0.928 10 0 DCAELO CCS(=O)(=O)C[C@@H](C)NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000247080562 395965277 /nfs/dbraw/zinc/96/52/77/395965277.db2.gz HTZQMZVDWRRREB-OLZOCXBDSA-N 1 2 317.455 0.689 10 0 DCAELO CCS(=O)(=O)C[C@@H](C)NC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000247080562 395965281 /nfs/dbraw/zinc/96/52/81/395965281.db2.gz HTZQMZVDWRRREB-OLZOCXBDSA-N 1 2 317.455 0.689 10 0 DCAELO CS(=O)(=O)N[C@@H]1CC[N@H+](C[C@@H](O)c2c(F)cccc2F)C1 ZINC000247067343 395966088 /nfs/dbraw/zinc/96/60/88/395966088.db2.gz KNHOECWSGOSFKO-BXKDBHETSA-N 1 2 320.361 0.622 10 0 DCAELO CS(=O)(=O)N[C@@H]1CC[N@@H+](C[C@@H](O)c2c(F)cccc2F)C1 ZINC000247067343 395966089 /nfs/dbraw/zinc/96/60/89/395966089.db2.gz KNHOECWSGOSFKO-BXKDBHETSA-N 1 2 320.361 0.622 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)N2CCCC[C@H]2c2ncc[nH]2)C1 ZINC000247734278 395978038 /nfs/dbraw/zinc/97/80/38/395978038.db2.gz MNWQSGBQURXRQC-OLZOCXBDSA-N 1 2 307.398 0.977 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)N2CCCC[C@H]2c2ncc[nH]2)C1 ZINC000247734278 395978040 /nfs/dbraw/zinc/97/80/40/395978040.db2.gz MNWQSGBQURXRQC-OLZOCXBDSA-N 1 2 307.398 0.977 10 0 DCAELO O=C1CCCN1c1ccc(OC[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000153667647 396024999 /nfs/dbraw/zinc/02/49/99/396024999.db2.gz YNGNJPTWFVJYHB-OAHLLOKOSA-N 1 2 320.389 0.885 10 0 DCAELO COc1ccc(CC(=O)NC[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000154111533 396031118 /nfs/dbraw/zinc/03/11/18/396031118.db2.gz BROCBDHUENFUQB-AWEZNQCLSA-N 1 2 308.378 0.047 10 0 DCAELO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCOC2(CCC2)C1 ZINC000154171981 396033643 /nfs/dbraw/zinc/03/36/43/396033643.db2.gz CXEZLMMDDYOXGG-GFCCVEGCSA-N 1 2 309.410 0.367 10 0 DCAELO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCOC2(CCC2)C1 ZINC000154171981 396033645 /nfs/dbraw/zinc/03/36/45/396033645.db2.gz CXEZLMMDDYOXGG-GFCCVEGCSA-N 1 2 309.410 0.367 10 0 DCAELO CCc1nn(C)c(Cl)c1C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000156266532 396061074 /nfs/dbraw/zinc/06/10/74/396061074.db2.gz RVXTWBNOSOOEQK-WDEREUQCSA-N 1 2 312.801 0.791 10 0 DCAELO CCc1nn(C)c(Cl)c1C(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000156266532 396061076 /nfs/dbraw/zinc/06/10/76/396061076.db2.gz RVXTWBNOSOOEQK-WDEREUQCSA-N 1 2 312.801 0.791 10 0 DCAELO CCn1cc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2cccnc2)cn1 ZINC000261773486 396064135 /nfs/dbraw/zinc/06/41/35/396064135.db2.gz SMDORMUFPHWEPD-AWEZNQCLSA-N 1 2 321.406 0.633 10 0 DCAELO COCC(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)n2)CC[C@@H]1CO ZINC000169786477 396092651 /nfs/dbraw/zinc/09/26/51/396092651.db2.gz OEEXXUKFDOOWST-TZMCWYRMSA-N 1 2 323.393 0.036 10 0 DCAELO COCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(OC)n2)CC[C@@H]1CO ZINC000169786477 396092652 /nfs/dbraw/zinc/09/26/52/396092652.db2.gz OEEXXUKFDOOWST-TZMCWYRMSA-N 1 2 323.393 0.036 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2cnc3ccccc3c2O)C1 ZINC000171287890 396112685 /nfs/dbraw/zinc/11/26/85/396112685.db2.gz OFXAMJZWKUDFHM-NSHDSACASA-N 1 2 301.346 0.589 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)c2cnc3ccccc3c2O)C1 ZINC000171287890 396112688 /nfs/dbraw/zinc/11/26/88/396112688.db2.gz OFXAMJZWKUDFHM-NSHDSACASA-N 1 2 301.346 0.589 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(N3CCCC3)nn2)C1 ZINC000171300610 396113695 /nfs/dbraw/zinc/11/36/95/396113695.db2.gz AUDCQJHZSLFHJY-GFCCVEGCSA-N 1 2 305.382 0.137 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)c2ccc(N3CCCC3)nn2)C1 ZINC000171300610 396113698 /nfs/dbraw/zinc/11/36/98/396113698.db2.gz AUDCQJHZSLFHJY-GFCCVEGCSA-N 1 2 305.382 0.137 10 0 DCAELO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2cccnn2)CC1 ZINC000171350851 396115065 /nfs/dbraw/zinc/11/50/65/396115065.db2.gz RIAUUDQALNNZDS-AWEZNQCLSA-N 1 2 303.410 1.000 10 0 DCAELO COCCS(=O)(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000173892722 396136222 /nfs/dbraw/zinc/13/62/22/396136222.db2.gz JZXABJUUBIMADS-ZDUSSCGKSA-N 1 2 306.428 0.149 10 0 DCAELO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000162999034 396084969 /nfs/dbraw/zinc/08/49/69/396084969.db2.gz FNRGKXZCELLYPB-LBPRGKRZSA-N 1 2 302.440 0.896 10 0 DCAELO CC[N@H+]1CCCC[C@H]1C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000162999034 396084972 /nfs/dbraw/zinc/08/49/72/396084972.db2.gz FNRGKXZCELLYPB-LBPRGKRZSA-N 1 2 302.440 0.896 10 0 DCAELO O=S(=O)(NC1CCCC1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000279188270 396157274 /nfs/dbraw/zinc/15/72/74/396157274.db2.gz DPKMZMKPNICMSE-UHFFFAOYSA-N 1 2 324.450 0.976 10 0 DCAELO COC(=O)CCOc1ccc(NC(=O)[C@H]2COCC[NH2+]2)cc1 ZINC000262616394 396163053 /nfs/dbraw/zinc/16/30/53/396163053.db2.gz LXQMXRDVHLIWOY-CYBMUJFWSA-N 1 2 308.334 0.555 10 0 DCAELO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)N2CCCC[C@@H]2C)CC1 ZINC000075775519 396187446 /nfs/dbraw/zinc/18/74/46/396187446.db2.gz NOYAAPTWDNWNPE-KBPBESRZSA-N 1 2 319.471 0.494 10 0 DCAELO COc1ccc(F)cc1CN1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC000178182621 396190954 /nfs/dbraw/zinc/19/09/54/396190954.db2.gz ZNLUBNTZZTVDCM-AWEZNQCLSA-N 1 2 307.369 0.840 10 0 DCAELO CNC(=O)c1cccc(CCNC(=O)[C@H]2CC(F)(F)C[NH2+]2)c1 ZINC000263290094 396212019 /nfs/dbraw/zinc/21/20/19/396212019.db2.gz VNQCDMXBXNSPJD-GFCCVEGCSA-N 1 2 311.332 0.702 10 0 DCAELO O=C(NCc1nc(-c2ccncc2)no1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263012106 396198087 /nfs/dbraw/zinc/19/80/87/396198087.db2.gz PTXMHEPLJJPASC-VIFPVBQESA-N 1 2 309.276 0.745 10 0 DCAELO CS(=O)(=O)c1ccc(CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)cc1 ZINC000263045725 396199176 /nfs/dbraw/zinc/19/91/76/396199176.db2.gz TYXFVVAUQGRNFK-LLVKDONJSA-N 1 2 318.345 0.704 10 0 DCAELO O=C(c1ccccc1)N1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263072372 396200521 /nfs/dbraw/zinc/20/05/21/396200521.db2.gz WQLFXYGNAZWVCD-ZDUSSCGKSA-N 1 2 323.343 0.968 10 0 DCAELO O=C(c1ccccn1)N1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263097280 396201397 /nfs/dbraw/zinc/20/13/97/396201397.db2.gz ZBPHRYQBFYEFGI-LBPRGKRZSA-N 1 2 324.331 0.363 10 0 DCAELO C[C@H](NC(=O)[C@@H]1CC(F)(F)C[NH2+]1)C(=O)N1CCCC[C@@H]1C ZINC000263110267 396202033 /nfs/dbraw/zinc/20/20/33/396202033.db2.gz AFBPQKHXLJTLBO-DCAQKATOSA-N 1 2 303.353 0.889 10 0 DCAELO NC(=O)COc1cccc(CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)c1 ZINC000263110606 396202119 /nfs/dbraw/zinc/20/21/19/396202119.db2.gz AHMHHIRDHVFDBD-NSHDSACASA-N 1 2 313.304 0.164 10 0 DCAELO Cc1nc(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c(C)s1 ZINC000178886607 396212673 /nfs/dbraw/zinc/21/26/73/396212673.db2.gz NKAYVTZHMLZNMY-LBPRGKRZSA-N 1 2 313.423 0.525 10 0 DCAELO COC(=O)CCN1CC[N@H+](C[C@@H](C)CS(C)(=O)=O)[C@H](C)C1 ZINC000182114761 396247215 /nfs/dbraw/zinc/24/72/15/396247215.db2.gz SXJNTPRWWJMPAZ-CHWSQXEVSA-N 1 2 320.455 0.236 10 0 DCAELO COC(=O)CCN1CC[N@@H+](C[C@@H](C)CS(C)(=O)=O)[C@H](C)C1 ZINC000182114761 396247216 /nfs/dbraw/zinc/24/72/16/396247216.db2.gz SXJNTPRWWJMPAZ-CHWSQXEVSA-N 1 2 320.455 0.236 10 0 DCAELO COC(=O)CC[N@@H+]1CCN(C[C@@H](C)CS(C)(=O)=O)[C@H](C)C1 ZINC000182114761 396247219 /nfs/dbraw/zinc/24/72/19/396247219.db2.gz SXJNTPRWWJMPAZ-CHWSQXEVSA-N 1 2 320.455 0.236 10 0 DCAELO COC(=O)CC[N@H+]1CCN(C[C@@H](C)CS(C)(=O)=O)[C@H](C)C1 ZINC000182114761 396247222 /nfs/dbraw/zinc/24/72/22/396247222.db2.gz SXJNTPRWWJMPAZ-CHWSQXEVSA-N 1 2 320.455 0.236 10 0 DCAELO COC(=O)[C@H](C)CS(=O)(=O)NCc1[nH+]ccn1CC(C)C ZINC000182415841 396250617 /nfs/dbraw/zinc/25/06/17/396250617.db2.gz RRRODJGIFWLAJT-LLVKDONJSA-N 1 2 317.411 0.768 10 0 DCAELO Cc1nc(N2CCN(C[C@@H](C)CS(C)(=O)=O)CC2)cc[nH+]1 ZINC000183772287 396274903 /nfs/dbraw/zinc/27/49/03/396274903.db2.gz JQTGEQPHGAEPHC-GFCCVEGCSA-N 1 2 312.439 0.588 10 0 DCAELO CCNC(=O)N1CC[NH+](Cc2cc(-c3cnn(C)c3)no2)CC1 ZINC000184975138 396312245 /nfs/dbraw/zinc/31/22/45/396312245.db2.gz LFDSEIFRPUUZLE-UHFFFAOYSA-N 1 2 318.381 0.922 10 0 DCAELO C[C@@H]([NH2+]CC(=O)NC(N)=O)c1nc(-c2cccc(F)c2)no1 ZINC000185086067 396316838 /nfs/dbraw/zinc/31/68/38/396316838.db2.gz STFBDQIFNOMHPB-SSDOTTSWSA-N 1 2 307.285 0.721 10 0 DCAELO COc1cc(N2CC[NH+](CC(=O)N[C@@H](C)C(C)C)CC2)ncn1 ZINC000184073657 396284404 /nfs/dbraw/zinc/28/44/04/396284404.db2.gz RQTMQHIFBWFYGQ-ZDUSSCGKSA-N 1 2 321.425 0.768 10 0 DCAELO C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000081047409 396292300 /nfs/dbraw/zinc/29/23/00/396292300.db2.gz GKTSFKWPPODVNE-WRWORJQWSA-N 1 2 309.288 0.362 10 0 DCAELO C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000081047409 396292306 /nfs/dbraw/zinc/29/23/06/396292306.db2.gz GKTSFKWPPODVNE-WRWORJQWSA-N 1 2 309.288 0.362 10 0 DCAELO O=C(C[N@@H+]1CCO[C@@]2(CCOC2)C1)NCc1ccccc1F ZINC000185142871 396319930 /nfs/dbraw/zinc/31/99/30/396319930.db2.gz WCVRCWVNWYFHGD-INIZCTEOSA-N 1 2 308.353 0.933 10 0 DCAELO O=C(C[N@H+]1CCO[C@@]2(CCOC2)C1)NCc1ccccc1F ZINC000185142871 396319932 /nfs/dbraw/zinc/31/99/32/396319932.db2.gz WCVRCWVNWYFHGD-INIZCTEOSA-N 1 2 308.353 0.933 10 0 DCAELO COCCCCS(=O)(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000184480374 396296997 /nfs/dbraw/zinc/29/69/97/396296997.db2.gz OSUHBACWNVSLBS-OLZOCXBDSA-N 1 2 308.444 0.442 10 0 DCAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)[C@@H](CO)SC ZINC000184507437 396298032 /nfs/dbraw/zinc/29/80/32/396298032.db2.gz AVPCEJLWGKVMIX-YNEHKIRRSA-N 1 2 304.456 0.716 10 0 DCAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)[C@@H](CO)SC ZINC000184507437 396298033 /nfs/dbraw/zinc/29/80/33/396298033.db2.gz AVPCEJLWGKVMIX-YNEHKIRRSA-N 1 2 304.456 0.716 10 0 DCAELO CCOC(=O)c1c(C)nn(C[C@@H](O)C[NH+]2CCOCC2)c1C ZINC000184850570 396308481 /nfs/dbraw/zinc/30/84/81/396308481.db2.gz GDICOGWWTVJJGG-ZDUSSCGKSA-N 1 2 311.382 0.370 10 0 DCAELO O=c1cc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)nc2sccn21 ZINC000185221951 396322368 /nfs/dbraw/zinc/32/23/68/396322368.db2.gz QINOXKPGMMUNGT-AWEZNQCLSA-N 1 2 307.375 0.747 10 0 DCAELO O=c1cc(C[N@H+]2CCO[C@@]3(CCOC3)C2)nc2sccn21 ZINC000185221951 396322371 /nfs/dbraw/zinc/32/23/71/396322371.db2.gz QINOXKPGMMUNGT-AWEZNQCLSA-N 1 2 307.375 0.747 10 0 DCAELO O=C(c1ccnc(N2CCCC2)n1)N1CC[NH+](C2CC2)CC1 ZINC000265781336 396343313 /nfs/dbraw/zinc/34/33/13/396343313.db2.gz JYVFWZHAZFVFBJ-UHFFFAOYSA-N 1 2 301.394 0.997 10 0 DCAELO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc4[nH]nnc4c3)[C@@H]2C1 ZINC000285989900 396367947 /nfs/dbraw/zinc/36/79/47/396367947.db2.gz YIAOPKOMTVGOEE-ZIAGYGMSSA-N 1 2 301.350 0.503 10 0 DCAELO C[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc4[nH]nnc4c3)[C@@H]2C1 ZINC000285989900 396367949 /nfs/dbraw/zinc/36/79/49/396367949.db2.gz YIAOPKOMTVGOEE-ZIAGYGMSSA-N 1 2 301.350 0.503 10 0 DCAELO C[C@@H]1C(=O)NCCC[N@H+]1CC(=O)N(C)Cc1ccccc1F ZINC000189291778 396392936 /nfs/dbraw/zinc/39/29/36/396392936.db2.gz IGZAASQFTWAPJF-GFCCVEGCSA-N 1 2 307.369 0.995 10 0 DCAELO C[C@@H]1C(=O)NCCC[N@@H+]1CC(=O)N(C)Cc1ccccc1F ZINC000189291778 396392937 /nfs/dbraw/zinc/39/29/37/396392937.db2.gz IGZAASQFTWAPJF-GFCCVEGCSA-N 1 2 307.369 0.995 10 0 DCAELO COc1cc[nH+]c(CN2CCS(=O)(=O)[C@H](C)C2)c1OC ZINC000190587870 396408184 /nfs/dbraw/zinc/40/81/84/396408184.db2.gz WFRWWNKNHMWERX-SNVBAGLBSA-N 1 2 300.380 0.718 10 0 DCAELO Cc1noc(-c2cccnc2NC[C@@H](O)C[NH+]2CCOCC2)n1 ZINC000269395367 396411549 /nfs/dbraw/zinc/41/15/49/396411549.db2.gz WEWVQYBPDXTVSZ-GFCCVEGCSA-N 1 2 319.365 0.545 10 0 DCAELO CCn1cc([C@H]2C[N@H+](CCCN3CCOCC3)CCO2)cn1 ZINC000190791876 396411655 /nfs/dbraw/zinc/41/16/55/396411655.db2.gz FKWLAWCRRVKNOE-MRXNPFEDSA-N 1 2 308.426 0.999 10 0 DCAELO CCn1cc([C@H]2C[N@@H+](CCCN3CCOCC3)CCO2)cn1 ZINC000190791876 396411658 /nfs/dbraw/zinc/41/16/58/396411658.db2.gz FKWLAWCRRVKNOE-MRXNPFEDSA-N 1 2 308.426 0.999 10 0 DCAELO CC(C)Cn1cc[nH+]c1CNC(=O)N1CCCNC(=O)[C@H]1C ZINC000191425504 396419038 /nfs/dbraw/zinc/41/90/38/396419038.db2.gz RGKBKTWJEPOJLA-GFCCVEGCSA-N 1 2 307.398 0.959 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1nnnn1C)C2 ZINC000530378265 396575991 /nfs/dbraw/zinc/57/59/91/396575991.db2.gz NSVXVBGHPATBGI-SECBINFHSA-N 1 2 303.370 0.478 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1nnnn1C)CC2 ZINC000530378265 396575997 /nfs/dbraw/zinc/57/59/97/396575997.db2.gz NSVXVBGHPATBGI-SECBINFHSA-N 1 2 303.370 0.478 10 0 DCAELO C[N@H+](CCN1CCCC1=O)CC(=O)Nc1ccc2c(c1)OCO2 ZINC000533432625 396602321 /nfs/dbraw/zinc/60/23/21/396602321.db2.gz ADNOWQACXUBOSY-UHFFFAOYSA-N 1 2 319.361 0.908 10 0 DCAELO C[N@@H+](CCN1CCCC1=O)CC(=O)Nc1ccc2c(c1)OCO2 ZINC000533432625 396602324 /nfs/dbraw/zinc/60/23/24/396602324.db2.gz ADNOWQACXUBOSY-UHFFFAOYSA-N 1 2 319.361 0.908 10 0 DCAELO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[NH+]1CC(C)(C(N)=O)C1 ZINC000563068180 396699131 /nfs/dbraw/zinc/69/91/31/396699131.db2.gz KXYMMYXZAGBQSX-AWEZNQCLSA-N 1 2 317.389 0.110 10 0 DCAELO CNc1nc(N2CCN(C)C(=O)[C@@H]2C)[nH+]cc1Br ZINC000302574228 396721100 /nfs/dbraw/zinc/72/11/00/396721100.db2.gz ZZLVCRYYQUSQGP-ZETCQYMHSA-N 1 2 314.187 0.948 10 0 DCAELO CCN1CCN(C(=O)[C@@H](C)n2cncn2)C[C@H]1c1[nH+]ccn1C ZINC000328626775 396824797 /nfs/dbraw/zinc/82/47/97/396824797.db2.gz MCETYMWCIQMUCS-OLZOCXBDSA-N 1 2 317.397 0.478 10 0 DCAELO Cn1cnnc1[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)CCO1 ZINC000328629242 396827378 /nfs/dbraw/zinc/82/73/78/396827378.db2.gz IATSTYFFOPKWIF-CABCVRRESA-N 1 2 302.378 0.792 10 0 DCAELO Cn1cnnc1[C@@H]1C[N@@H+](C[C@H](O)Cc2ccccc2)CCO1 ZINC000328629242 396827380 /nfs/dbraw/zinc/82/73/80/396827380.db2.gz IATSTYFFOPKWIF-CABCVRRESA-N 1 2 302.378 0.792 10 0 DCAELO CCCc1cc(C(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)[nH]n1 ZINC000328642197 396828525 /nfs/dbraw/zinc/82/85/25/396828525.db2.gz QYUQKSXOJCCXRO-GFCCVEGCSA-N 1 2 323.397 0.670 10 0 DCAELO CCCc1cc(C(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)[nH]n1 ZINC000328642197 396828533 /nfs/dbraw/zinc/82/85/33/396828533.db2.gz QYUQKSXOJCCXRO-GFCCVEGCSA-N 1 2 323.397 0.670 10 0 DCAELO CCCc1cc(C(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)n[nH]1 ZINC000328642197 396828541 /nfs/dbraw/zinc/82/85/41/396828541.db2.gz QYUQKSXOJCCXRO-GFCCVEGCSA-N 1 2 323.397 0.670 10 0 DCAELO CCCc1cc(C(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)n[nH]1 ZINC000328642197 396828545 /nfs/dbraw/zinc/82/85/45/396828545.db2.gz QYUQKSXOJCCXRO-GFCCVEGCSA-N 1 2 323.397 0.670 10 0 DCAELO COc1cc(C(=O)N(CC2CC2)C[C@H]2C[N@H+](C)CCO2)on1 ZINC000328656750 396830613 /nfs/dbraw/zinc/83/06/13/396830613.db2.gz ZQUUWKBSWLTLHA-GFCCVEGCSA-N 1 2 309.366 0.866 10 0 DCAELO COc1cc(C(=O)N(CC2CC2)C[C@H]2C[N@@H+](C)CCO2)on1 ZINC000328656750 396830624 /nfs/dbraw/zinc/83/06/24/396830624.db2.gz ZQUUWKBSWLTLHA-GFCCVEGCSA-N 1 2 309.366 0.866 10 0 DCAELO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1nnnn1C(C)(C)C ZINC000329091850 396839116 /nfs/dbraw/zinc/83/91/16/396839116.db2.gz XBNKWYGFJXCCDB-STQMWFEESA-N 1 2 308.430 0.723 10 0 DCAELO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1nnnn1C(C)(C)C ZINC000329091850 396839122 /nfs/dbraw/zinc/83/91/22/396839122.db2.gz XBNKWYGFJXCCDB-STQMWFEESA-N 1 2 308.430 0.723 10 0 DCAELO C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1nnnn1C(C)(C)C ZINC000329091850 396839131 /nfs/dbraw/zinc/83/91/31/396839131.db2.gz XBNKWYGFJXCCDB-STQMWFEESA-N 1 2 308.430 0.723 10 0 DCAELO CCOC(=O)C1(S(C)(=O)=O)CC[NH+](CCSC)CC1 ZINC000375750301 396812369 /nfs/dbraw/zinc/81/23/69/396812369.db2.gz KVXHIVMHJLJPFU-UHFFFAOYSA-N 1 2 309.453 0.792 10 0 DCAELO C[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C)[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000625735858 396990957 /nfs/dbraw/zinc/99/09/57/396990957.db2.gz PHJPSCLDYZONFV-RYMFRWLXSA-N 1 2 311.426 0.644 10 0 DCAELO C[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C)[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000625735858 396990961 /nfs/dbraw/zinc/99/09/61/396990961.db2.gz PHJPSCLDYZONFV-RYMFRWLXSA-N 1 2 311.426 0.644 10 0 DCAELO Cc1nn(C)c(C)c1NC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000592557862 397214845 /nfs/dbraw/zinc/21/48/45/397214845.db2.gz MXZKVHAVQWJOTA-LLVKDONJSA-N 1 2 308.430 0.794 10 0 DCAELO Cn1cc[nH+]c1[C@@H]1CN(C(=O)NC[C@@H]2CCCO2)CCN1C ZINC000370174637 397452556 /nfs/dbraw/zinc/45/25/56/397452556.db2.gz QEOQLMGHOJAPGH-STQMWFEESA-N 1 2 307.398 0.597 10 0 DCAELO C[NH+]1CCN(C(=O)C(=O)Nc2cccc3c2OCCC3)CC1 ZINC000370494767 397495191 /nfs/dbraw/zinc/49/51/91/397495191.db2.gz KCULASOIYVSACV-UHFFFAOYSA-N 1 2 303.362 0.724 10 0 DCAELO CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCN(Cc2nnc(C)[nH]2)CC1 ZINC000605422720 397664624 /nfs/dbraw/zinc/66/46/24/397664624.db2.gz QOCUCHKHNWQMNY-GFCCVEGCSA-N 1 2 322.457 0.924 10 0 DCAELO Cc1c(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)nnn1C ZINC000607506182 397703134 /nfs/dbraw/zinc/70/31/34/397703134.db2.gz ZNIICHREJHYHLA-CYBMUJFWSA-N 1 2 307.398 0.450 10 0 DCAELO CCOCCNC(=O)C[N@@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC ZINC000247103742 286095299 /nfs/dbraw/zinc/09/52/99/286095299.db2.gz ZQFHXJKJIOSDAJ-MCIONIFRSA-N 1 2 312.410 0.945 10 0 DCAELO CCOCCNC(=O)C[N@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC ZINC000247103742 286095300 /nfs/dbraw/zinc/09/53/00/286095300.db2.gz ZQFHXJKJIOSDAJ-MCIONIFRSA-N 1 2 312.410 0.945 10 0 DCAELO COCCCCS(=O)(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000191993330 292324311 /nfs/dbraw/zinc/32/43/11/292324311.db2.gz CFMIANCCADUNKN-QWHCGFSZSA-N 1 2 308.444 0.130 10 0 DCAELO COCCCCS(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000191993330 292324314 /nfs/dbraw/zinc/32/43/14/292324314.db2.gz CFMIANCCADUNKN-QWHCGFSZSA-N 1 2 308.444 0.130 10 0 DCAELO O=C(C[N@@H+]1CCO[C@H]2CCCC[C@H]21)N1CCC2(CC1)OCCO2 ZINC000070693882 158047669 /nfs/dbraw/zinc/04/76/69/158047669.db2.gz GQGBOYHFENWZRO-CABCVRRESA-N 1 2 324.421 0.995 10 0 DCAELO O=C(C[N@H+]1CCO[C@H]2CCCC[C@H]21)N1CCC2(CC1)OCCO2 ZINC000070693882 158047671 /nfs/dbraw/zinc/04/76/71/158047671.db2.gz GQGBOYHFENWZRO-CABCVRRESA-N 1 2 324.421 0.995 10 0 DCAELO Cc1noc(CN2CC[NH+](CC(=O)N3CCC[C@H](C)C3)CC2)n1 ZINC000101545862 158126720 /nfs/dbraw/zinc/12/67/20/158126720.db2.gz AZPLPSRKASDSDZ-ZDUSSCGKSA-N 1 2 321.425 0.754 10 0 DCAELO CNC(=O)c1cccc(C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)c1 ZINC000116888782 158167465 /nfs/dbraw/zinc/16/74/65/158167465.db2.gz AGRXYDKFPSBZSN-CYBMUJFWSA-N 1 2 311.407 0.170 10 0 DCAELO CNC(=O)c1cccc(C[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)c1 ZINC000116888782 158167467 /nfs/dbraw/zinc/16/74/67/158167467.db2.gz AGRXYDKFPSBZSN-CYBMUJFWSA-N 1 2 311.407 0.170 10 0 DCAELO COCC[N@@H+]1CCN(S(=O)(=O)N2CCC[C@@H](C)C2)C[C@H]1C ZINC000117369628 158171806 /nfs/dbraw/zinc/17/18/06/158171806.db2.gz ZQOYUKGENOTKGW-ZIAGYGMSSA-N 1 2 319.471 0.616 10 0 DCAELO COCC[N@H+]1CCN(S(=O)(=O)N2CCC[C@@H](C)C2)C[C@H]1C ZINC000117369628 158171809 /nfs/dbraw/zinc/17/18/09/158171809.db2.gz ZQOYUKGENOTKGW-ZIAGYGMSSA-N 1 2 319.471 0.616 10 0 DCAELO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C2=NN(C)C(=O)CC2)C1 ZINC000119469704 158187370 /nfs/dbraw/zinc/18/73/70/158187370.db2.gz QMRUYYZEVKWCLL-LBPRGKRZSA-N 1 2 317.393 0.809 10 0 DCAELO CCS(=O)(=O)CC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000119597503 158189129 /nfs/dbraw/zinc/18/91/29/158189129.db2.gz SJTGGDMGIZGNCO-LBPRGKRZSA-N 1 2 313.423 0.636 10 0 DCAELO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)CSCC(N)=O)C1 ZINC000120686671 158202894 /nfs/dbraw/zinc/20/28/94/158202894.db2.gz HKCIUPMFPIOGIQ-NSHDSACASA-N 1 2 310.423 0.420 10 0 DCAELO CC(C)(CO)CCCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000122562068 158221567 /nfs/dbraw/zinc/22/15/67/158221567.db2.gz ZSPWHRMRHFJQGP-CQSZACIVSA-N 1 2 313.442 0.901 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2cccc3ncccc32)C1 ZINC000171094273 158379218 /nfs/dbraw/zinc/37/92/18/158379218.db2.gz BKSZHTFMZKNBBE-LBPRGKRZSA-N 1 2 321.402 0.844 10 0 DCAELO C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2cccc3ncccc32)C1 ZINC000171094273 158379220 /nfs/dbraw/zinc/37/92/20/158379220.db2.gz BKSZHTFMZKNBBE-LBPRGKRZSA-N 1 2 321.402 0.844 10 0 DCAELO Cc1nc(NC(=O)C2CC[NH+](Cc3nccn3C)CC2)n[nH]1 ZINC000171549872 158384852 /nfs/dbraw/zinc/38/48/52/158384852.db2.gz TYVHAKKGFCABGS-UHFFFAOYSA-N 1 2 303.370 0.697 10 0 DCAELO Cc1nnc(NC(=O)C2CC[NH+](Cc3nccn3C)CC2)[nH]1 ZINC000171549872 158384853 /nfs/dbraw/zinc/38/48/53/158384853.db2.gz TYVHAKKGFCABGS-UHFFFAOYSA-N 1 2 303.370 0.697 10 0 DCAELO NS(=O)(=O)CCC[N@@H+]1CCC[C@H]1C(=O)Nc1nccs1 ZINC000172260766 158392890 /nfs/dbraw/zinc/39/28/90/158392890.db2.gz RNJVFCLQYOZWRQ-VIFPVBQESA-N 1 2 318.424 0.225 10 0 DCAELO NS(=O)(=O)CCC[N@H+]1CCC[C@H]1C(=O)Nc1nccs1 ZINC000172260766 158392892 /nfs/dbraw/zinc/39/28/92/158392892.db2.gz RNJVFCLQYOZWRQ-VIFPVBQESA-N 1 2 318.424 0.225 10 0 DCAELO C[C@H]1CN(S(=O)(=O)NCc2ccn3cc[nH+]c3c2)C[C@H](C)O1 ZINC000178405044 158457363 /nfs/dbraw/zinc/45/73/63/158457363.db2.gz IJJJAXLVCYTHNN-RYUDHWBXSA-N 1 2 324.406 0.778 10 0 DCAELO Cc1nc(C)n(C[C@H]2C[N@@H+]([C@@H]3CCN(C4CC4)C3=O)CCO2)n1 ZINC000328611241 159014348 /nfs/dbraw/zinc/01/43/48/159014348.db2.gz OIBIVCZDEJFYEZ-HUUCEWRRSA-N 1 2 319.409 0.359 10 0 DCAELO Cc1nc(C)n(C[C@H]2C[N@H+]([C@@H]3CCN(C4CC4)C3=O)CCO2)n1 ZINC000328611241 159014351 /nfs/dbraw/zinc/01/43/51/159014351.db2.gz OIBIVCZDEJFYEZ-HUUCEWRRSA-N 1 2 319.409 0.359 10 0 DCAELO CN1CC[C@@H](C(=O)N2CC[NH2+][C@H](c3cccnc3)C2)CC1=O ZINC000328636330 159016624 /nfs/dbraw/zinc/01/66/24/159016624.db2.gz AGEITGREZQRHJA-OCCSQVGLSA-N 1 2 302.378 0.423 10 0 DCAELO O=C(CN1CC(=O)NC1=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000328639959 159016701 /nfs/dbraw/zinc/01/67/01/159016701.db2.gz DXBJDIKTEUASIJ-UHFFFAOYSA-N 1 2 322.390 0.784 10 0 DCAELO O=C([C@@H]1CCCCS1(=O)=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000328665827 159018443 /nfs/dbraw/zinc/01/84/43/159018443.db2.gz ZNGPDODGMOSUTL-KBPBESRZSA-N 1 2 323.418 0.522 10 0 DCAELO CN(C)c1cnc(C(=O)N2CC[NH2+][C@@H](c3cccnc3)C2)cn1 ZINC000328663740 159018907 /nfs/dbraw/zinc/01/89/07/159018907.db2.gz YCWCJCSNHZKYDF-CQSZACIVSA-N 1 2 312.377 0.724 10 0 DCAELO Cc1nnc([C@H]2CCCC[N@@H+]2C[C@H](O)CN2CCCC2=O)[nH]1 ZINC000328670494 159019351 /nfs/dbraw/zinc/01/93/51/159019351.db2.gz MQUCULRSTGNYMA-QWHCGFSZSA-N 1 2 307.398 0.623 10 0 DCAELO Cc1nnc([C@H]2CCCC[N@H+]2C[C@H](O)CN2CCCC2=O)[nH]1 ZINC000328670494 159019352 /nfs/dbraw/zinc/01/93/52/159019352.db2.gz MQUCULRSTGNYMA-QWHCGFSZSA-N 1 2 307.398 0.623 10 0 DCAELO Cc1cnn(C[C@H]2C[N@@H+]([C@@H]3CCN(C4CC4)C3=O)CCO2)c1 ZINC000328672396 159019775 /nfs/dbraw/zinc/01/97/75/159019775.db2.gz OGPBFLYMHCSIDI-HUUCEWRRSA-N 1 2 304.394 0.656 10 0 DCAELO Cc1cnn(C[C@H]2C[N@H+]([C@@H]3CCN(C4CC4)C3=O)CCO2)c1 ZINC000328672396 159019778 /nfs/dbraw/zinc/01/97/78/159019778.db2.gz OGPBFLYMHCSIDI-HUUCEWRRSA-N 1 2 304.394 0.656 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)CCOC3CCOCC3)C[C@H]21 ZINC000328858565 159035172 /nfs/dbraw/zinc/03/51/72/159035172.db2.gz DORYZHBAIGWORD-CABCVRRESA-N 1 2 312.410 0.504 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)CCOC3CCOCC3)C[C@H]21 ZINC000328858565 159035175 /nfs/dbraw/zinc/03/51/75/159035175.db2.gz DORYZHBAIGWORD-CABCVRRESA-N 1 2 312.410 0.504 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccnc(C4CC4)n3)C[C@@H]21 ZINC000328911005 159040919 /nfs/dbraw/zinc/04/09/19/159040919.db2.gz NVOLZMURZPFUKJ-UONOGXRCSA-N 1 2 302.378 0.899 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccnc(C4CC4)n3)C[C@@H]21 ZINC000328911005 159040921 /nfs/dbraw/zinc/04/09/21/159040921.db2.gz NVOLZMURZPFUKJ-UONOGXRCSA-N 1 2 302.378 0.899 10 0 DCAELO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@H]2COCCN2C)C1 ZINC000328984674 159049688 /nfs/dbraw/zinc/04/96/88/159049688.db2.gz SWLXBTCYESXETR-ZIAGYGMSSA-N 1 2 306.410 0.532 10 0 DCAELO CC(=O)N1CCC[C@@H]1C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000329618805 159107019 /nfs/dbraw/zinc/10/70/19/159107019.db2.gz GHANPIMNTYKAFI-NWANDNLSSA-N 1 2 309.410 0.176 10 0 DCAELO CC(C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000407979073 160001805 /nfs/dbraw/zinc/00/18/05/160001805.db2.gz OLOMLELGCMRLBK-ZIAGYGMSSA-N 1 2 311.426 0.470 10 0 DCAELO COc1cc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)cc(C)n1 ZINC000408022675 160013660 /nfs/dbraw/zinc/01/36/60/160013660.db2.gz NDWJQHWJPCIPAA-KBPBESRZSA-N 1 2 305.378 0.944 10 0 DCAELO COc1cc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)cc(C)n1 ZINC000408022675 160013661 /nfs/dbraw/zinc/01/36/61/160013661.db2.gz NDWJQHWJPCIPAA-KBPBESRZSA-N 1 2 305.378 0.944 10 0 DCAELO COc1nc(C)ccc1C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000408126489 160042658 /nfs/dbraw/zinc/04/26/58/160042658.db2.gz PDGNZEHZUGWTNF-ZDUSSCGKSA-N 1 2 305.378 0.945 10 0 DCAELO CC(C)CN(C)S(=O)(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000408136470 160044779 /nfs/dbraw/zinc/04/47/79/160044779.db2.gz FASBLYXMFFNIHJ-CYBMUJFWSA-N 1 2 305.444 0.226 10 0 DCAELO C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CCC[C@@H]2CS(N)(=O)=O)C1 ZINC000408167084 160051161 /nfs/dbraw/zinc/05/11/61/160051161.db2.gz BVXUAJNFAZJWST-FRRDWIJNSA-N 1 2 317.455 0.244 10 0 DCAELO C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2CCC[C@@H]2CS(N)(=O)=O)C1 ZINC000408167084 160051163 /nfs/dbraw/zinc/05/11/63/160051163.db2.gz BVXUAJNFAZJWST-FRRDWIJNSA-N 1 2 317.455 0.244 10 0 DCAELO C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+](C)C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000408219877 160063237 /nfs/dbraw/zinc/06/32/37/160063237.db2.gz RAKVWZKHEBHBKP-MJBXVCDLSA-N 1 2 316.467 0.857 10 0 DCAELO C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+](C)C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000408219877 160063238 /nfs/dbraw/zinc/06/32/38/160063238.db2.gz RAKVWZKHEBHBKP-MJBXVCDLSA-N 1 2 316.467 0.857 10 0 DCAELO O=C(c1cnn2cccnc12)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000408233502 160065664 /nfs/dbraw/zinc/06/56/64/160065664.db2.gz VGDRYXCMDHYSNE-LBPRGKRZSA-N 1 2 301.350 0.276 10 0 DCAELO CC[C@H]1OCCC[C@H]1C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000408273455 160073512 /nfs/dbraw/zinc/07/35/12/160073512.db2.gz CZFQUEPPWVCZHP-CHWSQXEVSA-N 1 2 311.426 0.600 10 0 DCAELO CCCNS(=O)(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000408363023 160092015 /nfs/dbraw/zinc/09/20/15/160092015.db2.gz SXCSRJINRGOUJD-ZDUSSCGKSA-N 1 2 305.444 0.418 10 0 DCAELO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000408439945 160108824 /nfs/dbraw/zinc/10/88/24/160108824.db2.gz WTFITSSSZJOQNV-MGPQQGTHSA-N 1 2 319.471 0.208 10 0 DCAELO Cn1cc(C(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c(-c2ccoc2)n1 ZINC000408447515 160110066 /nfs/dbraw/zinc/11/00/66/160110066.db2.gz FTIDSASDEIQXHF-ZIAGYGMSSA-N 1 2 316.361 0.835 10 0 DCAELO Cn1cc(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c(-c2ccoc2)n1 ZINC000408447515 160110068 /nfs/dbraw/zinc/11/00/68/160110068.db2.gz FTIDSASDEIQXHF-ZIAGYGMSSA-N 1 2 316.361 0.835 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)N2CCC[C@H](C)C2)C[C@H]1C ZINC000246204951 287079096 /nfs/dbraw/zinc/07/90/96/287079096.db2.gz QQBNSKASRNYLCL-MJBXVCDLSA-N 1 2 319.471 0.350 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)N2CCC[C@H](C)C2)C[C@H]1C ZINC000246204951 287079098 /nfs/dbraw/zinc/07/90/98/287079098.db2.gz QQBNSKASRNYLCL-MJBXVCDLSA-N 1 2 319.471 0.350 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)N2CCC[C@@H](C)C2)[C@H](C)C1 ZINC000249183145 287107403 /nfs/dbraw/zinc/10/74/03/287107403.db2.gz NNRCGDLTNYCNDW-MCIONIFRSA-N 1 2 319.471 0.350 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)N2CCC[C@@H](C)C2)[C@H](C)C1 ZINC000249183145 287107404 /nfs/dbraw/zinc/10/74/04/287107404.db2.gz NNRCGDLTNYCNDW-MCIONIFRSA-N 1 2 319.471 0.350 10 0 DCAELO CC(=O)N(C)c1ccc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)cc1 ZINC000278785398 415487741 /nfs/dbraw/zinc/48/77/41/415487741.db2.gz PQYCKQPSANDEHH-INIZCTEOSA-N 1 2 316.405 0.399 10 0 DCAELO O=C(NCC1([NH+]2CCOCC2)CC1)N1CCOCC2(CC2)C1 ZINC000333093476 415554778 /nfs/dbraw/zinc/55/47/78/415554778.db2.gz BRTVKZCVRREQFB-UHFFFAOYSA-N 1 2 309.410 0.673 10 0 DCAELO CNC(=O)[C@@H]1CCCC[N@@H+]1CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000104668805 415624889 /nfs/dbraw/zinc/62/48/89/415624889.db2.gz GXIYXTOMILLBAI-KKUMJFAQSA-N 1 2 323.437 0.757 10 0 DCAELO CNC(=O)[C@@H]1CCCC[N@H+]1CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000104668805 415624895 /nfs/dbraw/zinc/62/48/95/415624895.db2.gz GXIYXTOMILLBAI-KKUMJFAQSA-N 1 2 323.437 0.757 10 0 DCAELO COC(=O)CCCc1nc(C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)no1 ZINC000111220863 415688873 /nfs/dbraw/zinc/68/88/73/415688873.db2.gz LGUQWERAPFJWFZ-GHMZBOCLSA-N 1 2 324.381 0.651 10 0 DCAELO COC(=O)CCCc1nc(C[N@H+]2C[C@H](C(N)=O)CC[C@H]2C)no1 ZINC000111220863 415688879 /nfs/dbraw/zinc/68/88/79/415688879.db2.gz LGUQWERAPFJWFZ-GHMZBOCLSA-N 1 2 324.381 0.651 10 0 DCAELO C[C@H](NC(=O)NC[C@H]1C[N@H+](C)CCO1)C(=O)Nc1ccccc1 ZINC000112111346 415705122 /nfs/dbraw/zinc/70/51/22/415705122.db2.gz SSIBGHQTXDIZQM-JSGCOSHPSA-N 1 2 320.393 0.643 10 0 DCAELO C[C@H](NC(=O)NC[C@H]1C[N@@H+](C)CCO1)C(=O)Nc1ccccc1 ZINC000112111346 415705128 /nfs/dbraw/zinc/70/51/28/415705128.db2.gz SSIBGHQTXDIZQM-JSGCOSHPSA-N 1 2 320.393 0.643 10 0 DCAELO O=C(Cc1cccc(F)c1F)NC[C@H](O)C[NH+]1CCOCC1 ZINC000133111447 415940136 /nfs/dbraw/zinc/94/01/36/415940136.db2.gz OXOJUCVJYMTYLV-LBPRGKRZSA-N 1 2 314.332 0.317 10 0 DCAELO Cn1cccc1C[NH+]1CCN(CC(=O)N2CCOCC2)CC1 ZINC000153291303 415978984 /nfs/dbraw/zinc/97/89/84/415978984.db2.gz FRAHSKRCSWSNRH-UHFFFAOYSA-N 1 2 306.410 0.002 10 0 DCAELO Cn1cccc1CN1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000153291303 415978985 /nfs/dbraw/zinc/97/89/85/415978985.db2.gz FRAHSKRCSWSNRH-UHFFFAOYSA-N 1 2 306.410 0.002 10 0 DCAELO Cc1nc(Cl)ccc1C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000132755290 415936740 /nfs/dbraw/zinc/93/67/40/415936740.db2.gz HJGYHAOPSOSKMH-LLVKDONJSA-N 1 2 313.785 0.466 10 0 DCAELO O=C(Nc1ccccc1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172767158 416048359 /nfs/dbraw/zinc/04/83/59/416048359.db2.gz VWFDXFBSYQEQFM-CQSZACIVSA-N 1 2 303.362 0.558 10 0 DCAELO CO[C@H]1C[C@H](CO)[N@H+](CC(=O)Nc2nc3c(s2)CCC3)C1 ZINC000344880795 416003238 /nfs/dbraw/zinc/00/32/38/416003238.db2.gz UVQOELIPDBJPAA-ZJUUUORDSA-N 1 2 311.407 0.652 10 0 DCAELO CO[C@H]1C[C@H](CO)[N@@H+](CC(=O)Nc2nc3c(s2)CCC3)C1 ZINC000344880795 416003242 /nfs/dbraw/zinc/00/32/42/416003242.db2.gz UVQOELIPDBJPAA-ZJUUUORDSA-N 1 2 311.407 0.652 10 0 DCAELO CCC(CC)(CCO)CNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000174748801 416085827 /nfs/dbraw/zinc/08/58/27/416085827.db2.gz MDAIRBSVOYBNIK-ZDUSSCGKSA-N 1 2 301.431 0.805 10 0 DCAELO CCC(CC)(CCO)CNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000174748801 416085831 /nfs/dbraw/zinc/08/58/31/416085831.db2.gz MDAIRBSVOYBNIK-ZDUSSCGKSA-N 1 2 301.431 0.805 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)N[C@@H](C)CCO)nc[nH+]1 ZINC000175148620 416096899 /nfs/dbraw/zinc/09/68/99/416096899.db2.gz NFVPKYWYIXNNGU-RYUDHWBXSA-N 1 2 322.413 0.557 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)N[C@@H](C)CCO)[nH+]cn1 ZINC000175148620 416096904 /nfs/dbraw/zinc/09/69/04/416096904.db2.gz NFVPKYWYIXNNGU-RYUDHWBXSA-N 1 2 322.413 0.557 10 0 DCAELO O=C(CCOC1CCOCC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000175444475 416105403 /nfs/dbraw/zinc/10/54/03/416105403.db2.gz KPHFIMFACOGQNQ-AWEZNQCLSA-N 1 2 312.410 0.505 10 0 DCAELO CC(=O)N1CCN(C(=O)NCc2ccc[nH+]c2N(C)C)[C@@H](C)C1 ZINC000357757008 416127976 /nfs/dbraw/zinc/12/79/76/416127976.db2.gz ATLGFZQQUCWHGB-LBPRGKRZSA-N 1 2 319.409 0.910 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(S(=O)(=O)CC3CCOCC3)C[C@@H]21 ZINC000328877313 416137664 /nfs/dbraw/zinc/13/76/64/416137664.db2.gz KNFKPVOQQSWUKV-UONOGXRCSA-N 1 2 318.439 0.148 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(S(=O)(=O)CC3CCOCC3)C[C@@H]21 ZINC000328877313 416137669 /nfs/dbraw/zinc/13/76/69/416137669.db2.gz KNFKPVOQQSWUKV-UONOGXRCSA-N 1 2 318.439 0.148 10 0 DCAELO CN(C)c1cnc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)cn1 ZINC000329152200 416153242 /nfs/dbraw/zinc/15/32/42/416153242.db2.gz ANBFLXPFYHKAND-OLZOCXBDSA-N 1 2 305.382 0.088 10 0 DCAELO CN(C)c1cnc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)cn1 ZINC000329152200 416153249 /nfs/dbraw/zinc/15/32/49/416153249.db2.gz ANBFLXPFYHKAND-OLZOCXBDSA-N 1 2 305.382 0.088 10 0 DCAELO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1S(=O)(=O)[C@@H]1CCO[C@H]1C ZINC000329408287 416167751 /nfs/dbraw/zinc/16/77/51/416167751.db2.gz DDXQVZAPUYZASA-XJFOESAGSA-N 1 2 318.439 0.289 10 0 DCAELO O=C(NC[C@H]1C[NH+]2CCN1CC2)C(=O)Nc1ccccc1Cl ZINC000178966978 416178884 /nfs/dbraw/zinc/17/88/84/416178884.db2.gz IXBHPSFYVDSYFB-NSHDSACASA-N 1 2 322.796 0.395 10 0 DCAELO C[C@H](Oc1cccc(CO)c1)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000179185080 416184149 /nfs/dbraw/zinc/18/41/49/416184149.db2.gz MRTUJTFFUZCIIM-ZFWWWQNUSA-N 1 2 319.405 0.062 10 0 DCAELO COCc1noc(CN2CCCC[C@H]2C[NH+]2CCOCC2)n1 ZINC000182368882 416219040 /nfs/dbraw/zinc/21/90/40/416219040.db2.gz HHFRBWZLPNQUEX-ZDUSSCGKSA-N 1 2 310.398 0.903 10 0 DCAELO COCc1noc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)n1 ZINC000182368882 416219043 /nfs/dbraw/zinc/21/90/43/416219043.db2.gz HHFRBWZLPNQUEX-ZDUSSCGKSA-N 1 2 310.398 0.903 10 0 DCAELO COCc1noc(C[N@H+]2CCCC[C@H]2CN2CCOCC2)n1 ZINC000182368882 416219046 /nfs/dbraw/zinc/21/90/46/416219046.db2.gz HHFRBWZLPNQUEX-ZDUSSCGKSA-N 1 2 310.398 0.903 10 0 DCAELO C[C@@]1(C(N)=O)CCCC[N@@H+]1CC(=O)Nc1ccccc1C(N)=O ZINC000185927199 416254935 /nfs/dbraw/zinc/25/49/35/416254935.db2.gz FTNFZKKEOMLIGB-INIZCTEOSA-N 1 2 318.377 0.454 10 0 DCAELO C[C@@]1(C(N)=O)CCCC[N@H+]1CC(=O)Nc1ccccc1C(N)=O ZINC000185927199 416254937 /nfs/dbraw/zinc/25/49/37/416254937.db2.gz FTNFZKKEOMLIGB-INIZCTEOSA-N 1 2 318.377 0.454 10 0 DCAELO O=C1c2ccccc2C(=O)N1CC[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000185199501 416255281 /nfs/dbraw/zinc/25/52/81/416255281.db2.gz FPDRCCGHSDLUNS-KRWDZBQOSA-N 1 2 316.357 0.774 10 0 DCAELO O=C1c2ccccc2C(=O)N1CC[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000185199501 416255284 /nfs/dbraw/zinc/25/52/84/416255284.db2.gz FPDRCCGHSDLUNS-KRWDZBQOSA-N 1 2 316.357 0.774 10 0 DCAELO CCCn1cc[nH+]c1CCCN(C)C(=O)CN1CC(=O)NC1=O ZINC000192256723 416303420 /nfs/dbraw/zinc/30/34/20/416303420.db2.gz YCDGWQUMXSEQFA-UHFFFAOYSA-N 1 2 321.381 0.236 10 0 DCAELO C[C@H]1CCNC(=O)[C@@H]1NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000193753922 416318963 /nfs/dbraw/zinc/31/89/63/416318963.db2.gz KUHCECRCCLPRQY-CMPLNLGQSA-N 1 2 305.382 0.471 10 0 DCAELO CNc1[nH+]cnc2c1cnn2CCCN1C(=O)NC(C)(C)C1=O ZINC000194427321 416323451 /nfs/dbraw/zinc/32/34/51/416323451.db2.gz LMGCGLOAFIHSQF-UHFFFAOYSA-N 1 2 317.353 0.589 10 0 DCAELO CCOC(=O)NCC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000194653911 416324083 /nfs/dbraw/zinc/32/40/83/416324083.db2.gz WZIWPSOAALNPOK-UHFFFAOYSA-N 1 2 303.322 0.630 10 0 DCAELO CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623275238 416788820 /nfs/dbraw/zinc/78/88/20/416788820.db2.gz CZZUTKHRRZWFFX-NVXWUHKLSA-N 1 2 324.384 0.897 10 0 DCAELO C[C@H](CC1CC1)NC(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000369558930 416795489 /nfs/dbraw/zinc/79/54/89/416795489.db2.gz FACAVISSXWMKGE-DGCLKSJQSA-N 1 2 312.414 0.003 10 0 DCAELO C[C@H](CC1CC1)NC(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000369558930 416795494 /nfs/dbraw/zinc/79/54/94/416795494.db2.gz FACAVISSXWMKGE-DGCLKSJQSA-N 1 2 312.414 0.003 10 0 DCAELO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CC(=O)NC(=O)NC1CC1 ZINC000615632678 416874911 /nfs/dbraw/zinc/87/49/11/416874911.db2.gz VKPFOZYPGHNGJJ-NDMJEZRESA-N 1 2 309.366 0.248 10 0 DCAELO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CC(=O)NC(=O)NC1CC1 ZINC000615632678 416874914 /nfs/dbraw/zinc/87/49/14/416874914.db2.gz VKPFOZYPGHNGJJ-NDMJEZRESA-N 1 2 309.366 0.248 10 0 DCAELO CCc1ncnc(NC[C@]2([NH+]3CCOCC3)CCCOC2)c1F ZINC000371414475 416915466 /nfs/dbraw/zinc/91/54/66/416915466.db2.gz IEJSEVCKSMMRAI-MRXNPFEDSA-N 1 2 324.400 1.471 10 0 DCAELO C[N@@H+]1CCO[C@H](CS(=O)(=O)N2CC[C@H](O)CC23CCC3)C1 ZINC000632476135 417116114 /nfs/dbraw/zinc/11/61/14/417116114.db2.gz TWRYJJJVTYVDLH-STQMWFEESA-N 1 2 318.439 0.026 10 0 DCAELO C[N@H+]1CCO[C@H](CS(=O)(=O)N2CC[C@H](O)CC23CCC3)C1 ZINC000632476135 417116120 /nfs/dbraw/zinc/11/61/20/417116120.db2.gz TWRYJJJVTYVDLH-STQMWFEESA-N 1 2 318.439 0.026 10 0 DCAELO CCOC(=O)[C@H]1C[N@H+](Cc2cc(=O)c(OC)co2)CC12COC2 ZINC000451127347 417301326 /nfs/dbraw/zinc/30/13/26/417301326.db2.gz AHHSVGGEZAKYNG-GFCCVEGCSA-N 1 2 323.345 0.660 10 0 DCAELO CCOC(=O)[C@H]1C[N@@H+](Cc2cc(=O)c(OC)co2)CC12COC2 ZINC000451127347 417301330 /nfs/dbraw/zinc/30/13/30/417301330.db2.gz AHHSVGGEZAKYNG-GFCCVEGCSA-N 1 2 323.345 0.660 10 0 DCAELO CC(=O)N1CCC[C@H]1C(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000633602982 417461354 /nfs/dbraw/zinc/46/13/54/417461354.db2.gz RQZZYMATSPAMMS-QWHCGFSZSA-N 1 2 322.409 0.607 10 0 DCAELO COc1cncc(C(=O)N2C[C@H](OC)C[C@H]2c2[nH]cc[nH+]2)n1 ZINC000644121362 417476358 /nfs/dbraw/zinc/47/63/58/417476358.db2.gz IMERJRXOYSCRHS-KOLCDFICSA-N 1 2 303.322 0.811 10 0 DCAELO CCC[C@](C)(O)CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000577012476 417657497 /nfs/dbraw/zinc/65/74/97/417657497.db2.gz AUWZUTATVYCHEV-HNNXBMFYSA-N 1 2 304.350 0.940 10 0 DCAELO c1cn(C[C@@H]2CN(c3cc(-n4cc[nH+]c4)ncn3)CCO2)nn1 ZINC000631376839 417865589 /nfs/dbraw/zinc/86/55/89/417865589.db2.gz FMHLLUPLRFLSMJ-LBPRGKRZSA-N 1 2 312.337 0.159 10 0 DCAELO CCC1(CC)C[N@H+](CCCNS(=O)(=O)CC)CC[S@]1=O ZINC000185223810 261119101 /nfs/dbraw/zinc/11/91/01/261119101.db2.gz RAFNHFVSUZONJB-LJQANCHMSA-N 1 2 324.512 0.939 10 0 DCAELO CCC1(CC)C[N@@H+](CCCNS(=O)(=O)CC)CC[S@]1=O ZINC000185223810 261119104 /nfs/dbraw/zinc/11/91/04/261119104.db2.gz RAFNHFVSUZONJB-LJQANCHMSA-N 1 2 324.512 0.939 10 0 DCAELO C[C@H]1CCOCCN1C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000362241504 262014547 /nfs/dbraw/zinc/01/45/47/262014547.db2.gz XSGZLHVJBOAUKV-HNNXBMFYSA-N 1 2 318.421 0.841 10 0 DCAELO COC(=O)[C@H](C1CC1)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000359590850 271128097 /nfs/dbraw/zinc/12/80/97/271128097.db2.gz UGLKPMISRVDCPT-ZFWWWQNUSA-N 1 2 323.437 0.567 10 0 DCAELO CCCCCNC(=O)C[NH+]1CCN(C(C)(C)C(=O)OC)CC1 ZINC000494485723 272223383 /nfs/dbraw/zinc/22/33/83/272223383.db2.gz SGXZXKGJEJBNBB-UHFFFAOYSA-N 1 2 313.442 0.862 10 0 DCAELO Cc1nccc(C[NH+]2CCN(c3ncnc4c3cnn4C)CC2)n1 ZINC000507080665 272394788 /nfs/dbraw/zinc/39/47/88/272394788.db2.gz CNSPKOINSQDOLG-UHFFFAOYSA-N 1 2 324.392 0.784 10 0 DCAELO Cc1cccn2cc(CC(=O)N3CC[C@H](NC(N)=O)C3)[nH+]c12 ZINC000535712368 287837378 /nfs/dbraw/zinc/83/73/78/287837378.db2.gz QJYTWRKONQXEBO-NSHDSACASA-N 1 2 301.350 0.454 10 0 DCAELO C[C@@H](CNC(=O)N[C@@H](CO)Cc1ccccc1)[NH+]1CCOCC1 ZINC000123155993 278275266 /nfs/dbraw/zinc/27/52/66/278275266.db2.gz AWGYCJMVHJXXLP-GOEBONIOSA-N 1 2 321.421 0.610 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)C[C@H](C)O1 ZINC000329280844 278789755 /nfs/dbraw/zinc/78/97/55/278789755.db2.gz DUOAHCVLCOXORT-GRYCIOLGSA-N 1 2 314.411 0.901 10 0 DCAELO Cc1nnc([C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CCO2)[nH]1 ZINC000548091796 288110734 /nfs/dbraw/zinc/11/07/34/288110734.db2.gz BIYSJRRRZPPVGR-PWSUYJOCSA-N 1 2 316.365 0.856 10 0 DCAELO Cc1nc([C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CCO2)n[nH]1 ZINC000548091796 288110736 /nfs/dbraw/zinc/11/07/36/288110736.db2.gz BIYSJRRRZPPVGR-PWSUYJOCSA-N 1 2 316.365 0.856 10 0 DCAELO C[C@@H]1C[N@H+](C[C@@H](O)C(F)(F)F)CCN1C[C@H](O)C(F)(F)F ZINC000248391192 288184091 /nfs/dbraw/zinc/18/40/91/288184091.db2.gz JAKLJJDGFMNKQX-HLTSFMKQSA-N 1 2 324.265 0.839 10 0 DCAELO C[C@@H]1C[N@@H+](C[C@@H](O)C(F)(F)F)CCN1C[C@H](O)C(F)(F)F ZINC000248391192 288184092 /nfs/dbraw/zinc/18/40/92/288184092.db2.gz JAKLJJDGFMNKQX-HLTSFMKQSA-N 1 2 324.265 0.839 10 0 DCAELO C[C@@H]1CN(C[C@@H](O)C(F)(F)F)CC[N@@H+]1C[C@H](O)C(F)(F)F ZINC000248391192 288184094 /nfs/dbraw/zinc/18/40/94/288184094.db2.gz JAKLJJDGFMNKQX-HLTSFMKQSA-N 1 2 324.265 0.839 10 0 DCAELO C[C@@H]1CN(C[C@@H](O)C(F)(F)F)CC[N@H+]1C[C@H](O)C(F)(F)F ZINC000248391192 288184095 /nfs/dbraw/zinc/18/40/95/288184095.db2.gz JAKLJJDGFMNKQX-HLTSFMKQSA-N 1 2 324.265 0.839 10 0 DCAELO O=C(c1cccc2ncnn21)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000548887152 288185076 /nfs/dbraw/zinc/18/50/76/288185076.db2.gz VWPABDQWCUVFKM-ZDUSSCGKSA-N 1 2 308.345 0.911 10 0 DCAELO C[N@@H+](CC(=O)OC(C)(C)C)C[C@H](O)COC[C@H]1CCCO1 ZINC000548909118 288186605 /nfs/dbraw/zinc/18/66/05/288186605.db2.gz UBFRUBPYTFBQIQ-QWHCGFSZSA-N 1 2 303.399 0.816 10 0 DCAELO C[N@H+](CC(=O)OC(C)(C)C)C[C@H](O)COC[C@H]1CCCO1 ZINC000548909118 288186609 /nfs/dbraw/zinc/18/66/09/288186609.db2.gz UBFRUBPYTFBQIQ-QWHCGFSZSA-N 1 2 303.399 0.816 10 0 DCAELO COc1cnc(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)nc1 ZINC000551196912 288224985 /nfs/dbraw/zinc/22/49/85/288224985.db2.gz CTQFMFHABZLGRM-YPMHNXCESA-N 1 2 306.366 0.278 10 0 DCAELO COC(=O)[C@H](C)CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000553069634 288285804 /nfs/dbraw/zinc/28/58/04/288285804.db2.gz JUAJIRAXSREJFY-SECBINFHSA-N 1 2 304.306 0.198 10 0 DCAELO COCCOCCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000560986201 288522996 /nfs/dbraw/zinc/52/29/96/288522996.db2.gz KVCRCNNAIJUFTA-UHFFFAOYSA-N 1 2 306.322 0.052 10 0 DCAELO CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[NH+]1CC(C)(C(N)=O)C1 ZINC000563068181 288623923 /nfs/dbraw/zinc/62/39/23/288623923.db2.gz KXYMMYXZAGBQSX-CQSZACIVSA-N 1 2 317.389 0.110 10 0 DCAELO C[C@H](CNC(=O)c1cn(C)nc1[C@@H]1CCOC1)[NH+]1CCOCC1 ZINC000275255890 298769374 /nfs/dbraw/zinc/76/93/74/298769374.db2.gz HDFIJKKJLIIJAY-CHWSQXEVSA-N 1 2 322.409 0.375 10 0 DCAELO CCC(CC)NC(=O)[C@H](C)[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000246985695 521589757 /nfs/dbraw/zinc/58/97/57/521589757.db2.gz FUXWFSWFIISZBZ-CMPLNLGQSA-N 1 2 305.444 0.303 10 0 DCAELO CCC(CC)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000246985695 521589751 /nfs/dbraw/zinc/58/97/51/521589751.db2.gz FUXWFSWFIISZBZ-CMPLNLGQSA-N 1 2 305.444 0.303 10 0 DCAELO CN1C[C@H](NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CCC1=O ZINC000158048591 524023442 /nfs/dbraw/zinc/02/34/42/524023442.db2.gz LEMJVPBMYAGNFC-TZMCWYRMSA-N 1 2 318.377 0.865 10 0 DCAELO CNC(=O)[C@@H]1CCCN1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000155831532 524082426 /nfs/dbraw/zinc/08/24/26/524082426.db2.gz MNVUKCOZKUMXSW-LBPRGKRZSA-N 1 2 305.382 0.568 10 0 DCAELO C[C@@H](CNC(=O)NC[C@](C)(O)c1ccccc1)[NH+]1CCOCC1 ZINC000114518381 524681736 /nfs/dbraw/zinc/68/17/36/524681736.db2.gz CGSUXVHDYVMXGF-YOEHRIQHSA-N 1 2 321.421 0.914 10 0 DCAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1cc2ccccn2c1 ZINC000128051381 526572805 /nfs/dbraw/zinc/57/28/05/526572805.db2.gz HLWGRDMMJRNXMT-HNNXBMFYSA-N 1 2 303.362 0.362 10 0 DCAELO C[NH2+][C@H](Cn1cc(I)cn1)C(=O)OC ZINC000070678639 545661320 /nfs/dbraw/zinc/66/13/20/545661320.db2.gz QLHIRTWWYVWASI-SSDOTTSWSA-N 1 2 309.107 0.249 10 0 DCAELO COCC[N@@H+]1CCN(S(=O)(=O)CC[C@@H]2CCCO2)C[C@H]1C ZINC000120915124 545746456 /nfs/dbraw/zinc/74/64/56/545746456.db2.gz ARXJNUPFMUKNLR-KGLIPLIRSA-N 1 2 320.455 0.538 10 0 DCAELO COCC[N@H+]1CCN(S(=O)(=O)CC[C@@H]2CCCO2)C[C@H]1C ZINC000120915124 545746464 /nfs/dbraw/zinc/74/64/64/545746464.db2.gz ARXJNUPFMUKNLR-KGLIPLIRSA-N 1 2 320.455 0.538 10 0 DCAELO Cc1ccc(O)c(C[NH+]2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1 ZINC000123304580 545755430 /nfs/dbraw/zinc/75/54/30/545755430.db2.gz NRQPLSMORHWOKM-ZDUSSCGKSA-N 1 2 318.421 0.880 10 0 DCAELO O=C(NC1CC1)C(=O)N1CC[NH+](C[C@@H](O)CC2CCCC2)CC1 ZINC000191306409 545925728 /nfs/dbraw/zinc/92/57/28/545925728.db2.gz FPFKUPVCKAXQSG-HNNXBMFYSA-N 1 2 323.437 0.350 10 0 DCAELO CNc1ncnc2cc(C(=O)NC[C@@H]3C[N@H+](C)CCO3)ccc21 ZINC000667605259 546627325 /nfs/dbraw/zinc/62/73/25/546627325.db2.gz CHQIOQKDCSKZOW-GFCCVEGCSA-N 1 2 315.377 0.732 10 0 DCAELO CNc1ncnc2cc(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)ccc21 ZINC000667605259 546627328 /nfs/dbraw/zinc/62/73/28/546627328.db2.gz CHQIOQKDCSKZOW-GFCCVEGCSA-N 1 2 315.377 0.732 10 0 DCAELO C[C@@H]1CN(C(=O)c2ncnc3[nH]ccc32)C[C@@H]1[NH+]1CCOCC1 ZINC000669321496 546956092 /nfs/dbraw/zinc/95/60/92/546956092.db2.gz PYCMMWZOAOZPEB-YPMHNXCESA-N 1 2 315.377 0.702 10 0 DCAELO O[C@@]1(Cn2ccnn2)CC[N@H+](Cc2nc(C3CCCC3)no2)C1 ZINC000671553144 547247872 /nfs/dbraw/zinc/24/78/72/547247872.db2.gz JRDWLMRXHFJDKP-HNNXBMFYSA-N 1 2 318.381 0.956 10 0 DCAELO O[C@@]1(Cn2ccnn2)CC[N@@H+](Cc2nc(C3CCCC3)no2)C1 ZINC000671553144 547247874 /nfs/dbraw/zinc/24/78/74/547247874.db2.gz JRDWLMRXHFJDKP-HNNXBMFYSA-N 1 2 318.381 0.956 10 0 DCAELO CCN1C(=O)CN(C[N@@H+]2CCC[C@H]2Cn2ccnc2C)C1=O ZINC000176076733 657798680 /nfs/dbraw/zinc/79/86/80/657798680.db2.gz UUSAHWVCPSLLJC-ZDUSSCGKSA-N 1 2 305.382 0.898 10 0 DCAELO CCN1C(=O)CN(C[N@H+]2CCC[C@H]2Cn2ccnc2C)C1=O ZINC000176076733 657798689 /nfs/dbraw/zinc/79/86/89/657798689.db2.gz UUSAHWVCPSLLJC-ZDUSSCGKSA-N 1 2 305.382 0.898 10 0 DCAELO C=CCNC(=O)CN1CC[NH+](C[C@H](O)c2cccc(F)c2)CC1 ZINC000051148233 658815060 /nfs/dbraw/zinc/81/50/60/658815060.db2.gz AINZGFMESCRBND-INIZCTEOSA-N 1 2 321.396 0.779 10 0 DCAELO COC(=O)[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@@H](n3cc(C)cn3)C2)C1 ZINC000181376769 659043808 /nfs/dbraw/zinc/04/38/08/659043808.db2.gz XRUAOOTVPUZHKG-ZIAGYGMSSA-N 1 2 320.393 0.807 10 0 DCAELO COC(=O)[C@@H]1CC(=O)N(C[N@H+]2CCC[C@@H](n3cc(C)cn3)C2)C1 ZINC000181376769 659043815 /nfs/dbraw/zinc/04/38/15/659043815.db2.gz XRUAOOTVPUZHKG-ZIAGYGMSSA-N 1 2 320.393 0.807 10 0 DCAELO Cn1c[nH+]c(CCNC(=O)c2ccc(NS(C)(=O)=O)cc2)c1 ZINC000170194842 663454634 /nfs/dbraw/zinc/45/46/34/663454634.db2.gz MQVLGXALAARRLH-UHFFFAOYSA-N 1 2 322.390 0.764 10 0 DCAELO CCCC[C@H]1NC(=O)N(CN2CC[C@H]([NH+]3CCOCC3)C2)C1=O ZINC000172959920 664626064 /nfs/dbraw/zinc/62/60/64/664626064.db2.gz YWYAEAJRIOWDQB-UONOGXRCSA-N 1 2 324.425 0.461 10 0 DCAELO CCCC[C@H]1NC(=O)N(C[N@@H+]2CC[C@H](N3CCOCC3)C2)C1=O ZINC000172959920 664626065 /nfs/dbraw/zinc/62/60/65/664626065.db2.gz YWYAEAJRIOWDQB-UONOGXRCSA-N 1 2 324.425 0.461 10 0 DCAELO CCCC[C@H]1NC(=O)N(C[N@H+]2CC[C@H](N3CCOCC3)C2)C1=O ZINC000172959920 664626066 /nfs/dbraw/zinc/62/60/66/664626066.db2.gz YWYAEAJRIOWDQB-UONOGXRCSA-N 1 2 324.425 0.461 10 0 DCAELO C[C@H]1C[C@@H]1CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731682185 664877227 /nfs/dbraw/zinc/87/72/27/664877227.db2.gz HKYOENFVWXADJW-NWDGAFQWSA-N 1 2 317.455 0.451 10 0 DCAELO C[C@H]1CC[C@@H](C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)O1 ZINC000153835896 665058640 /nfs/dbraw/zinc/05/86/40/665058640.db2.gz VOXDOSSLCFXQLG-AAEUAGOBSA-N 1 2 318.439 0.179 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2csc(Br)n2)C1 ZINC000709600533 667445389 /nfs/dbraw/zinc/44/53/89/667445389.db2.gz IEMBYWGMVJFMMY-ZETCQYMHSA-N 1 2 320.212 0.966 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)c2csc(Br)n2)C1 ZINC000709600533 667445390 /nfs/dbraw/zinc/44/53/90/667445390.db2.gz IEMBYWGMVJFMMY-ZETCQYMHSA-N 1 2 320.212 0.966 10 0 DCAELO COC(=O)c1ccc2c(cnn2C[N@H+](C)[C@H]2CCN(C)C2=O)c1 ZINC000738271017 667663792 /nfs/dbraw/zinc/66/37/92/667663792.db2.gz XJUXUCQIEHYRSV-AWEZNQCLSA-N 1 2 316.361 0.943 10 0 DCAELO COC(=O)c1ccc2c(cnn2C[N@@H+](C)[C@H]2CCN(C)C2=O)c1 ZINC000738271017 667663794 /nfs/dbraw/zinc/66/37/94/667663794.db2.gz XJUXUCQIEHYRSV-AWEZNQCLSA-N 1 2 316.361 0.943 10 0 DCAELO COC(=O)c1ccc2c(cnn2C[N@H+](C)[C@@H]2CCN(C)C2=O)c1 ZINC000738271025 667664185 /nfs/dbraw/zinc/66/41/85/667664185.db2.gz XJUXUCQIEHYRSV-CQSZACIVSA-N 1 2 316.361 0.943 10 0 DCAELO COC(=O)c1ccc2c(cnn2C[N@@H+](C)[C@@H]2CCN(C)C2=O)c1 ZINC000738271025 667664188 /nfs/dbraw/zinc/66/41/88/667664188.db2.gz XJUXUCQIEHYRSV-CQSZACIVSA-N 1 2 316.361 0.943 10 0 DCAELO C[C@H]1CN(C(=O)c2ccn(CC(F)F)n2)CC[N@@H+]1CCO ZINC000194550122 670439104 /nfs/dbraw/zinc/43/91/04/670439104.db2.gz HGFHIAACWANTJZ-JTQLQIEISA-N 1 2 302.325 0.287 10 0 DCAELO C[C@H]1CN(C(=O)c2ccn(CC(F)F)n2)CC[N@H+]1CCO ZINC000194550122 670439107 /nfs/dbraw/zinc/43/91/07/670439107.db2.gz HGFHIAACWANTJZ-JTQLQIEISA-N 1 2 302.325 0.287 10 0 DCAELO COC(=O)[C@H]1CC(=O)N(C[N@@H+]2CCC[C@H](n3cc(C)cn3)C2)C1 ZINC000248449518 685175286 /nfs/dbraw/zinc/17/52/86/685175286.db2.gz XRUAOOTVPUZHKG-KBPBESRZSA-N 1 2 320.393 0.807 10 0 DCAELO COC(=O)[C@H]1CC(=O)N(C[N@H+]2CCC[C@H](n3cc(C)cn3)C2)C1 ZINC000248449518 685175290 /nfs/dbraw/zinc/17/52/90/685175290.db2.gz XRUAOOTVPUZHKG-KBPBESRZSA-N 1 2 320.393 0.807 10 0 DCAELO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CC(=O)N1CCO[C@@H](C)C1 ZINC000248887317 685176925 /nfs/dbraw/zinc/17/69/25/685176925.db2.gz YBOLKUZQDRRSMB-JLNYLFASSA-N 1 2 310.394 0.507 10 0 DCAELO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CC(=O)N1CCO[C@@H](C)C1 ZINC000248887317 685176930 /nfs/dbraw/zinc/17/69/30/685176930.db2.gz YBOLKUZQDRRSMB-JLNYLFASSA-N 1 2 310.394 0.507 10 0 DCAELO O=S1(=O)CCC[C@@H]([NH2+]Cc2nc(Br)c[nH]2)C1 ZINC000380732879 685237964 /nfs/dbraw/zinc/23/79/64/685237964.db2.gz QQRKQJNMAWNOMF-SSDOTTSWSA-N 1 2 308.201 0.839 10 0 DCAELO Nc1ncnc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000311767733 1190391850 /nfs/dbraw/zinc/39/18/50/1190391850.db2.gz GWZQCEMWOMSVBF-CYBMUJFWSA-N 1 2 300.366 0.767 10 0 DCAELO Nc1ncnc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000311767733 1190391861 /nfs/dbraw/zinc/39/18/61/1190391861.db2.gz GWZQCEMWOMSVBF-CYBMUJFWSA-N 1 2 300.366 0.767 10 0 DCAELO C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)c2ccc(C(N)=O)o2)C1 ZINC000276228346 529782901 /nfs/dbraw/zinc/78/29/01/529782901.db2.gz DVRVNLHUCPZYIX-GFCCVEGCSA-N 1 2 321.377 0.561 10 0 DCAELO C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)c2ccc(C(N)=O)o2)C1 ZINC000276228346 529782902 /nfs/dbraw/zinc/78/29/02/529782902.db2.gz DVRVNLHUCPZYIX-GFCCVEGCSA-N 1 2 321.377 0.561 10 0 DCAELO COc1cccc([C@H]2C[N@H+](CCCS(N)(=O)=O)CCO2)c1 ZINC000177909822 186202550 /nfs/dbraw/zinc/20/25/50/186202550.db2.gz KEEBLXVGHZUDEE-CQSZACIVSA-N 1 2 314.407 0.747 10 0 DCAELO COc1cccc([C@H]2C[N@@H+](CCCS(N)(=O)=O)CCO2)c1 ZINC000177909822 186202552 /nfs/dbraw/zinc/20/25/52/186202552.db2.gz KEEBLXVGHZUDEE-CQSZACIVSA-N 1 2 314.407 0.747 10 0 DCAELO CC1(C)COCC[N@@H+]1CCNC(=O)CNC(=O)c1ccccn1 ZINC000172539514 198111841 /nfs/dbraw/zinc/11/18/41/198111841.db2.gz ZEVBWOXABJISTD-UHFFFAOYSA-N 1 2 320.393 0.038 10 0 DCAELO CC1(C)COCC[N@H+]1CCNC(=O)CNC(=O)c1ccccn1 ZINC000172539514 198111842 /nfs/dbraw/zinc/11/18/42/198111842.db2.gz ZEVBWOXABJISTD-UHFFFAOYSA-N 1 2 320.393 0.038 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(S(=O)(=O)NC3CCCC3)C[C@H]21 ZINC000329821262 283030752 /nfs/dbraw/zinc/03/07/52/283030752.db2.gz HCLNKQVIPJNCJH-OLZOCXBDSA-N 1 2 303.428 0.168 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(S(=O)(=O)NC3CCCC3)C[C@H]21 ZINC000329821262 283030754 /nfs/dbraw/zinc/03/07/54/283030754.db2.gz HCLNKQVIPJNCJH-OLZOCXBDSA-N 1 2 303.428 0.168 10 0 DCAELO COC(=O)CN(CC[NH+]1CCOCC1)c1ccnc(C2CC2)n1 ZINC000180133974 199121359 /nfs/dbraw/zinc/12/13/59/199121359.db2.gz LKGRCAXTHPTLLU-UHFFFAOYSA-N 1 2 320.393 0.666 10 0 DCAELO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+](C)Cc1cnccn1 ZINC000177238006 237211953 /nfs/dbraw/zinc/21/19/53/237211953.db2.gz IBEACTMLEYEYBI-NSHDSACASA-N 1 2 305.382 0.034 10 0 DCAELO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+](C)Cc1cnccn1 ZINC000177238006 237211965 /nfs/dbraw/zinc/21/19/65/237211965.db2.gz IBEACTMLEYEYBI-NSHDSACASA-N 1 2 305.382 0.034 10 0 DCAELO O=C(NC[C@H]1C[NH+]2CCN1CC2)C1(c2ccc(F)cc2)CC1 ZINC000178721696 237234163 /nfs/dbraw/zinc/23/41/63/237234163.db2.gz CCXBLVPTNVLYJR-HNNXBMFYSA-N 1 2 303.381 0.973 10 0 DCAELO C[C@@H]1CCCN(S(=O)(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000188085302 237365151 /nfs/dbraw/zinc/36/51/51/237365151.db2.gz GFMRMZKDNCZKOC-CYBMUJFWSA-N 1 2 319.471 0.664 10 0 DCAELO C[C@@H]1CCCN(S(=O)(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000188085302 237365158 /nfs/dbraw/zinc/36/51/58/237365158.db2.gz GFMRMZKDNCZKOC-CYBMUJFWSA-N 1 2 319.471 0.664 10 0 DCAELO CN(C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C)C(=O)[C@H]1CCOC1 ZINC000281128083 216098545 /nfs/dbraw/zinc/09/85/45/216098545.db2.gz GPAAXNLUJFGSPG-IHRRRGAJSA-N 1 2 324.400 0.827 10 0 DCAELO O=C1CCCN1c1cccc(OC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000153692941 291208203 /nfs/dbraw/zinc/20/82/03/291208203.db2.gz DNNWNQXFGVMGJF-HNNXBMFYSA-N 1 2 320.389 0.885 10 0 DCAELO CCNC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000155067018 291217515 /nfs/dbraw/zinc/21/75/15/291217515.db2.gz YZJJRXKHSWCPOI-AWEZNQCLSA-N 1 2 308.378 0.508 10 0 DCAELO C[C@](O)(CNC(=O)c1ccc(F)cc1O)C[NH+]1CCOCC1 ZINC000124013286 291344375 /nfs/dbraw/zinc/34/43/75/291344375.db2.gz ZREMFMRUOCCBLA-HNNXBMFYSA-N 1 2 312.341 0.344 10 0 DCAELO O=C([C@@H]1OC[C@@H]2COCC[C@@H]12)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000290478915 296084258 /nfs/dbraw/zinc/08/42/58/296084258.db2.gz VGKDDIZQHSOMAM-GBJTYRQASA-N 1 2 305.378 0.926 10 0 DCAELO COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000408335388 291380978 /nfs/dbraw/zinc/38/09/78/291380978.db2.gz HDRAKBOGOMQQDV-RVMXOQNASA-N 1 2 318.439 0.682 10 0 DCAELO COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000408335388 291380980 /nfs/dbraw/zinc/38/09/80/291380980.db2.gz HDRAKBOGOMQQDV-RVMXOQNASA-N 1 2 318.439 0.682 10 0 DCAELO CO[C@@]1(C)C[C@@H](NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1(C)C ZINC000571362441 291511057 /nfs/dbraw/zinc/51/10/57/291511057.db2.gz QVFFNFHLKRPURD-DYVFJYSZSA-N 1 2 323.437 0.613 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnc(C4CC4)nc3N)C[C@H]21 ZINC000288306431 220074453 /nfs/dbraw/zinc/07/44/53/220074453.db2.gz XILWQZXTNHNLBL-OLZOCXBDSA-N 1 2 317.393 0.481 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)c3cnc(C4CC4)nc3N)C[C@H]21 ZINC000288306431 220074456 /nfs/dbraw/zinc/07/44/56/220074456.db2.gz XILWQZXTNHNLBL-OLZOCXBDSA-N 1 2 317.393 0.481 10 0 DCAELO O=C(NC[C@H]1CCC(F)(F)C1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000572871451 291595180 /nfs/dbraw/zinc/59/51/80/291595180.db2.gz ABPCPOUFJXTMHG-NSHDSACASA-N 1 2 315.364 0.845 10 0 DCAELO C[NH+]1CCN(S(=O)(=O)c2cc(N)cc(Cl)c2F)CC1 ZINC000037054509 182864347 /nfs/dbraw/zinc/86/43/47/182864347.db2.gz NCTOXJVNDWIKCC-UHFFFAOYSA-N 1 2 307.778 0.997 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@H](O)c2cccc(F)c2)C1 ZINC000104798728 194042425 /nfs/dbraw/zinc/04/24/25/194042425.db2.gz OVQSVHKVZBXMEY-KBPBESRZSA-N 1 2 311.357 0.489 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)NC[C@H](O)c2cccc(F)c2)C1 ZINC000104798728 194042427 /nfs/dbraw/zinc/04/24/27/194042427.db2.gz OVQSVHKVZBXMEY-KBPBESRZSA-N 1 2 311.357 0.489 10 0 DCAELO C[C@H](Cn1cncn1)NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000105216464 194084852 /nfs/dbraw/zinc/08/48/52/194084852.db2.gz WTDACQITTMYRIS-JHJVBQTASA-N 1 2 310.402 0.075 10 0 DCAELO CC[C@@H](C(N)=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000105894454 194161013 /nfs/dbraw/zinc/16/10/13/194161013.db2.gz JMAJGUHCEXGGTA-HOCLYGCPSA-N 1 2 321.421 0.308 10 0 DCAELO CC[C@@H](C(N)=O)[NH+]1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000105894454 194161016 /nfs/dbraw/zinc/16/10/16/194161016.db2.gz JMAJGUHCEXGGTA-HOCLYGCPSA-N 1 2 321.421 0.308 10 0 DCAELO COCCN(C)S(=O)(=O)NCc1ccc[nH+]c1N(C)C ZINC000110109866 194311042 /nfs/dbraw/zinc/31/10/42/194311042.db2.gz CAAYZUBMGNKYMK-UHFFFAOYSA-N 1 2 302.400 0.060 10 0 DCAELO CC(C)[C@H]1N(C(=O)NCC[NH+]2CCOCC2)C[C@@]12CCCO2 ZINC000333685911 252752639 /nfs/dbraw/zinc/75/26/39/252752639.db2.gz BWYURVUKTITXMO-ZBFHGGJFSA-N 1 2 311.426 0.918 10 0 DCAELO c1nc(N2CCOCC2)sc1C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338962269 253015402 /nfs/dbraw/zinc/01/54/02/253015402.db2.gz LAJLWVXKYDURRQ-TXEJJXNPSA-N 1 2 311.407 0.579 10 0 DCAELO c1nc(N2CCOCC2)sc1C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338962269 253015403 /nfs/dbraw/zinc/01/54/03/253015403.db2.gz LAJLWVXKYDURRQ-TXEJJXNPSA-N 1 2 311.407 0.579 10 0 DCAELO Cn1nccc1CC[N@@H+]1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000346059660 254004813 /nfs/dbraw/zinc/00/48/13/254004813.db2.gz JNMJQJPEXMJDNE-OCCSQVGLSA-N 1 2 310.373 0.234 10 0 DCAELO Cn1nccc1CC[N@H+]1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000346059660 254004814 /nfs/dbraw/zinc/00/48/14/254004814.db2.gz JNMJQJPEXMJDNE-OCCSQVGLSA-N 1 2 310.373 0.234 10 0 DCAELO Cc1cc(N2CC[NH+]([C@H](C)C(=O)NC(=O)NC(C)C)CC2)n[nH]1 ZINC000187171801 220457975 /nfs/dbraw/zinc/45/79/75/220457975.db2.gz HLPAIGBYPPXHKR-GFCCVEGCSA-N 1 2 322.413 0.463 10 0 DCAELO CS(=O)(=O)N[C@@H]1C[N@H+](Cc2cccnc2)[C@H]2CCCO[C@@H]12 ZINC000247511909 257119168 /nfs/dbraw/zinc/11/91/68/257119168.db2.gz IOMCXTHWAVTNFZ-RDBSUJKOSA-N 1 2 311.407 0.363 10 0 DCAELO CS(=O)(=O)N[C@@H]1C[N@@H+](Cc2cccnc2)[C@H]2CCCO[C@@H]12 ZINC000247511909 257119169 /nfs/dbraw/zinc/11/91/69/257119169.db2.gz IOMCXTHWAVTNFZ-RDBSUJKOSA-N 1 2 311.407 0.363 10 0 DCAELO CC(=O)[C@@H](C)CCCCC(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000132907988 545795581 /nfs/dbraw/zinc/79/55/81/545795581.db2.gz BQXRBBRBTBYKFZ-ZFWWWQNUSA-N 1 2 314.426 0.581 10 0 DCAELO COc1cc(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)ccn1 ZINC000283954501 131036401 /nfs/dbraw/zinc/03/64/01/131036401.db2.gz KHFWWYPAXKAWDT-KGLIPLIRSA-N 1 2 320.393 0.705 10 0 DCAELO COc1cc(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)ccn1 ZINC000283954501 131036403 /nfs/dbraw/zinc/03/64/03/131036403.db2.gz KHFWWYPAXKAWDT-KGLIPLIRSA-N 1 2 320.393 0.705 10 0 DCAELO Cc1ccn2ncc(C(=O)N3CC[C@H]4OCC[N@@H+](C)[C@H]4C3)c2n1 ZINC000284465319 131083799 /nfs/dbraw/zinc/08/37/99/131083799.db2.gz LPFZLAVHWIVZAP-UONOGXRCSA-N 1 2 315.377 0.583 10 0 DCAELO Cc1ccn2ncc(C(=O)N3CC[C@H]4OCC[N@H+](C)[C@H]4C3)c2n1 ZINC000284465319 131083800 /nfs/dbraw/zinc/08/38/00/131083800.db2.gz LPFZLAVHWIVZAP-UONOGXRCSA-N 1 2 315.377 0.583 10 0 DCAELO Cc1cc(C)c(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)c(=O)[nH]1 ZINC000284530628 131089341 /nfs/dbraw/zinc/08/93/41/131089341.db2.gz PBDZHBSBQMJYCU-CHWSQXEVSA-N 1 2 305.378 0.949 10 0 DCAELO Cc1cc(C)c(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)c(=O)[nH]1 ZINC000284530628 131089342 /nfs/dbraw/zinc/08/93/42/131089342.db2.gz PBDZHBSBQMJYCU-CHWSQXEVSA-N 1 2 305.378 0.949 10 0 DCAELO CN(C)C(=O)COC[C@H]1C[N@H+](Cc2ccnn2C)CC(C)(C)O1 ZINC000284606062 131096837 /nfs/dbraw/zinc/09/68/37/131096837.db2.gz RNLGOCVVNOOUOX-CQSZACIVSA-N 1 2 324.425 0.504 10 0 DCAELO CN(C)C(=O)COC[C@H]1C[N@@H+](Cc2ccnn2C)CC(C)(C)O1 ZINC000284606062 131096838 /nfs/dbraw/zinc/09/68/38/131096838.db2.gz RNLGOCVVNOOUOX-CQSZACIVSA-N 1 2 324.425 0.504 10 0 DCAELO CC(=O)N1CC[C@H](NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)C1 ZINC000120837509 132147241 /nfs/dbraw/zinc/14/72/41/132147241.db2.gz HQYCZRSXAFQYFT-UONOGXRCSA-N 1 2 305.382 0.678 10 0 DCAELO C[C@@H](C(=O)NCC1CCCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000122351610 132163203 /nfs/dbraw/zinc/16/32/03/132163203.db2.gz CFGAZLAWSKUKJY-MBNYWOFBSA-N 1 2 311.426 0.646 10 0 DCAELO C[C@@H](C(=O)NCC1CCCCC1)[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000122351610 132163204 /nfs/dbraw/zinc/16/32/04/132163204.db2.gz CFGAZLAWSKUKJY-MBNYWOFBSA-N 1 2 311.426 0.646 10 0 DCAELO C[C@H](CNC(=O)CNC(=O)c1ccc(F)cc1)[NH+]1CCOCC1 ZINC000029960459 395700945 /nfs/dbraw/zinc/70/09/45/395700945.db2.gz ZJYBUYNHVJETIM-GFCCVEGCSA-N 1 2 323.368 0.392 10 0 DCAELO NC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c2cc[nH+]cc12 ZINC000033992998 395717876 /nfs/dbraw/zinc/71/78/76/395717876.db2.gz NFDGRKIZMVOVAX-UHFFFAOYSA-N 1 2 317.330 0.167 10 0 DCAELO O=S(=O)(NC1CC1)[C@@H]1CC[N@H+](Cc2cnc3cnccn23)C1 ZINC000092071281 395728748 /nfs/dbraw/zinc/72/87/48/395728748.db2.gz WMRZPFHNYZPXRY-CYBMUJFWSA-N 1 2 321.406 0.385 10 0 DCAELO O=S(=O)(NC1CC1)[C@@H]1CC[N@@H+](Cc2cnc3cnccn23)C1 ZINC000092071281 395728750 /nfs/dbraw/zinc/72/87/50/395728750.db2.gz WMRZPFHNYZPXRY-CYBMUJFWSA-N 1 2 321.406 0.385 10 0 DCAELO COCC[N@H+](Cc1cnc2nc(C)cc(C)n12)[C@@H](C)C(N)=O ZINC000093138327 395736574 /nfs/dbraw/zinc/73/65/74/395736574.db2.gz UOPIEZADOWETJC-LBPRGKRZSA-N 1 2 305.382 0.668 10 0 DCAELO COCC[N@@H+](Cc1cnc2nc(C)cc(C)n12)[C@@H](C)C(N)=O ZINC000093138327 395736576 /nfs/dbraw/zinc/73/65/76/395736576.db2.gz UOPIEZADOWETJC-LBPRGKRZSA-N 1 2 305.382 0.668 10 0 DCAELO Cn1ncc(C(=O)NC[C@H]2C[N@H+](C)CCO2)c1-n1cccc1 ZINC000194617092 395802462 /nfs/dbraw/zinc/80/24/62/395802462.db2.gz KFEBPJGJEXYYAY-LBPRGKRZSA-N 1 2 303.366 0.271 10 0 DCAELO Cn1ncc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)c1-n1cccc1 ZINC000194617092 395802467 /nfs/dbraw/zinc/80/24/67/395802467.db2.gz KFEBPJGJEXYYAY-LBPRGKRZSA-N 1 2 303.366 0.271 10 0 DCAELO Cc1cnn(CCNC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)c1 ZINC000118072528 395858236 /nfs/dbraw/zinc/85/82/36/395858236.db2.gz ADJGKRHGWFYNCP-UONOGXRCSA-N 1 2 309.414 0.600 10 0 DCAELO NC(=O)c1ccc(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)nc1 ZINC000195446187 395827069 /nfs/dbraw/zinc/82/70/69/395827069.db2.gz YGIJDRGXJKMKKO-UHFFFAOYSA-N 1 2 322.328 0.691 10 0 DCAELO CN(C)c1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCO2)cc1 ZINC000118115550 395859952 /nfs/dbraw/zinc/85/99/52/395859952.db2.gz BJJNBBVRUXRMPF-AWEZNQCLSA-N 1 2 320.393 0.138 10 0 DCAELO CN(C)c1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000118115550 395859955 /nfs/dbraw/zinc/85/99/55/395859955.db2.gz BJJNBBVRUXRMPF-AWEZNQCLSA-N 1 2 320.393 0.138 10 0 DCAELO CC[C@H]1CN(Cc2cc(=O)n3[nH]ccc3n2)CC[N@@H+]1CCOC ZINC000108867457 395794341 /nfs/dbraw/zinc/79/43/41/395794341.db2.gz RIWXXDUGBQBNAW-AWEZNQCLSA-N 1 2 319.409 0.565 10 0 DCAELO CC[C@H]1CN(Cc2cc(=O)n3[nH]ccc3n2)CC[N@H+]1CCOC ZINC000108867457 395794345 /nfs/dbraw/zinc/79/43/45/395794345.db2.gz RIWXXDUGBQBNAW-AWEZNQCLSA-N 1 2 319.409 0.565 10 0 DCAELO CN(Cc1nnn(C)n1)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000194447527 395797186 /nfs/dbraw/zinc/79/71/86/395797186.db2.gz BMUPXUGMNFNKCS-LBPRGKRZSA-N 1 2 322.438 0.777 10 0 DCAELO CN1CC[C@@H](NC(=O)NCc2cccnc2-n2cc[nH+]c2)C1=O ZINC000122722362 395888686 /nfs/dbraw/zinc/88/86/86/395888686.db2.gz WMSAPCNHECRNRV-GFCCVEGCSA-N 1 2 314.349 0.297 10 0 DCAELO Cc1cnc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCOCC2)s1 ZINC000123338826 395893638 /nfs/dbraw/zinc/89/36/38/395893638.db2.gz YLFZCLCBVVBVGE-SECBINFHSA-N 1 2 312.395 0.227 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CC(c3ccccc3)=NO2)C1 ZINC000245386000 395927120 /nfs/dbraw/zinc/92/71/20/395927120.db2.gz JCIBXIHZKIXNHI-DZGCQCFKSA-N 1 2 303.362 0.626 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CC(c3ccccc3)=NO2)C1 ZINC000245386000 395927126 /nfs/dbraw/zinc/92/71/26/395927126.db2.gz JCIBXIHZKIXNHI-DZGCQCFKSA-N 1 2 303.362 0.626 10 0 DCAELO CC[C@H]1CN(C(=O)C(=O)c2cnn(CC)c2)CC[N@@H+]1CCOC ZINC000135101976 395937225 /nfs/dbraw/zinc/93/72/25/395937225.db2.gz UULBJXDJJKJCOJ-AWEZNQCLSA-N 1 2 322.409 0.655 10 0 DCAELO CC[C@H]1CN(C(=O)C(=O)c2cnn(CC)c2)CC[N@H+]1CCOC ZINC000135101976 395937226 /nfs/dbraw/zinc/93/72/26/395937226.db2.gz UULBJXDJJKJCOJ-AWEZNQCLSA-N 1 2 322.409 0.655 10 0 DCAELO C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)N[C@@H]2CCCOC2)C1 ZINC000276469221 395999971 /nfs/dbraw/zinc/99/99/71/395999971.db2.gz NMLJFPQURKWTIG-KGLIPLIRSA-N 1 2 319.409 0.871 10 0 DCAELO C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)N[C@@H]2CCCOC2)C1 ZINC000276469221 395999973 /nfs/dbraw/zinc/99/99/73/395999973.db2.gz NMLJFPQURKWTIG-KGLIPLIRSA-N 1 2 319.409 0.871 10 0 DCAELO CO[C@@H]1CC[C@@H]2OCC[N@H+](C[C@H](C)CS(C)(=O)=O)[C@@H]2C1 ZINC000246923036 395960933 /nfs/dbraw/zinc/96/09/33/395960933.db2.gz RVXFVDXGXCJYTD-DGAVXFQQSA-N 1 2 305.440 0.935 10 0 DCAELO CO[C@@H]1CC[C@@H]2OCC[N@@H+](C[C@H](C)CS(C)(=O)=O)[C@@H]2C1 ZINC000246923036 395960935 /nfs/dbraw/zinc/96/09/35/395960935.db2.gz RVXFVDXGXCJYTD-DGAVXFQQSA-N 1 2 305.440 0.935 10 0 DCAELO CCOCC[N@@H+]1CCN(S(=O)(=O)c2cnn(C)c2)C[C@H]1C ZINC000247029777 395964729 /nfs/dbraw/zinc/96/47/29/395964729.db2.gz IDTGUDFDXVGJSO-GFCCVEGCSA-N 1 2 316.427 0.151 10 0 DCAELO CCOCC[N@H+]1CCN(S(=O)(=O)c2cnn(C)c2)C[C@H]1C ZINC000247029777 395964732 /nfs/dbraw/zinc/96/47/32/395964732.db2.gz IDTGUDFDXVGJSO-GFCCVEGCSA-N 1 2 316.427 0.151 10 0 DCAELO CCCN(C)S(=O)(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000247074073 395965769 /nfs/dbraw/zinc/96/57/69/395965769.db2.gz OLANFOBXXCHDKA-STQMWFEESA-N 1 2 305.444 0.226 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(N)cc2)C[C@H]1C ZINC000248667213 395993860 /nfs/dbraw/zinc/99/38/60/395993860.db2.gz WYOHYKWYLRFNLO-NEPJUHHUSA-N 1 2 313.423 0.344 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(N)cc2)C[C@H]1C ZINC000248667213 395993861 /nfs/dbraw/zinc/99/38/61/395993861.db2.gz WYOHYKWYLRFNLO-NEPJUHHUSA-N 1 2 313.423 0.344 10 0 DCAELO CC(C)N(C)C(=O)C[N@@H+]1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000067230336 396023571 /nfs/dbraw/zinc/02/35/71/396023571.db2.gz AFCCCDSZNABWGT-AWEZNQCLSA-N 1 2 311.426 0.567 10 0 DCAELO CC(C)N(C)C(=O)C[N@H+]1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000067230336 396023573 /nfs/dbraw/zinc/02/35/73/396023573.db2.gz AFCCCDSZNABWGT-AWEZNQCLSA-N 1 2 311.426 0.567 10 0 DCAELO Cn1ccnc(N2CC[NH+](Cc3cnc(N)s3)CC2)c1=O ZINC000262082521 396097394 /nfs/dbraw/zinc/09/73/94/396097394.db2.gz TXGVTNKNDQJTFQ-UHFFFAOYSA-N 1 2 306.395 0.141 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)c2cc(-c3cccnc3)on2)C1 ZINC000171287586 396113040 /nfs/dbraw/zinc/11/30/40/396113040.db2.gz GOIXHNCWGHPRPI-GFCCVEGCSA-N 1 2 302.334 0.797 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)c2cc(-c3cccnc3)on2)C1 ZINC000171287586 396113044 /nfs/dbraw/zinc/11/30/44/396113044.db2.gz GOIXHNCWGHPRPI-GFCCVEGCSA-N 1 2 302.334 0.797 10 0 DCAELO CCOC(=O)C1CCN(C(=O)C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000069537377 396082717 /nfs/dbraw/zinc/08/27/17/396082717.db2.gz ARTRNGXCCKVCOE-STQMWFEESA-N 1 2 312.410 0.897 10 0 DCAELO CC(C)C(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263269580 396210338 /nfs/dbraw/zinc/21/03/38/396210338.db2.gz RYYWIROVROVAGV-RYUDHWBXSA-N 1 2 317.380 0.994 10 0 DCAELO C[C@H]1CN(C(=O)NCCCn2ccnc2)C[C@H]1[NH+]1CCOCC1 ZINC000177297147 396170914 /nfs/dbraw/zinc/17/09/14/396170914.db2.gz DXXOYHPFFCKGPZ-LSDHHAIUSA-N 1 2 321.425 0.635 10 0 DCAELO O=C(NCc1cccnc1-n1cccn1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262901559 396191015 /nfs/dbraw/zinc/19/10/15/396191015.db2.gz DQGWBLUYFBBZSK-LLVKDONJSA-N 1 2 307.304 0.881 10 0 DCAELO CNC(=O)c1cccc(CCNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)c1 ZINC000263290096 396212079 /nfs/dbraw/zinc/21/20/79/396212079.db2.gz VNQCDMXBXNSPJD-LBPRGKRZSA-N 1 2 311.332 0.702 10 0 DCAELO COc1ccccc1[C@H](O)CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263082843 396200410 /nfs/dbraw/zinc/20/04/10/396200410.db2.gz XQXGYSCZGNSUHV-GHMZBOCLSA-N 1 2 300.305 0.842 10 0 DCAELO Cn1cc(N2CCC[C@@H](NC(=O)[C@@H]3CC(F)(F)C[NH2+]3)C2)cn1 ZINC000263157133 396203744 /nfs/dbraw/zinc/20/37/44/396203744.db2.gz DNZIFAIJBYMVLI-PWSUYJOCSA-N 1 2 313.352 0.502 10 0 DCAELO Cc1ccnc2nc(C(=O)NCc3cn4c([nH+]3)CCCC4)nn21 ZINC000263845512 396236147 /nfs/dbraw/zinc/23/61/47/396236147.db2.gz SXZIAIGDOHYXDQ-UHFFFAOYSA-N 1 2 311.349 0.896 10 0 DCAELO COCc1noc(C[N@@H+]2CCCN(c3cccnn3)CC2)n1 ZINC000182232967 396247846 /nfs/dbraw/zinc/24/78/46/396247846.db2.gz UKXIHXAXDCVYCA-UHFFFAOYSA-N 1 2 304.354 0.718 10 0 DCAELO COCc1noc(C[N@H+]2CCCN(c3cccnn3)CC2)n1 ZINC000182232967 396247847 /nfs/dbraw/zinc/24/78/47/396247847.db2.gz UKXIHXAXDCVYCA-UHFFFAOYSA-N 1 2 304.354 0.718 10 0 DCAELO O=C(NCc1cn2c([nH+]1)CCCC2)N[C@@H]1CCCCNC1=O ZINC000263750571 396228926 /nfs/dbraw/zinc/22/89/26/396228926.db2.gz GJROJXBAHDNOES-GFCCVEGCSA-N 1 2 305.382 0.687 10 0 DCAELO COCC(=O)NC1C[NH+](C[C@@H](O)COc2ccc(C)cc2)C1 ZINC000185091314 396317402 /nfs/dbraw/zinc/31/74/02/396317402.db2.gz HSUXGFNSTVVMEB-CQSZACIVSA-N 1 2 308.378 0.182 10 0 DCAELO CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCN(c2cc(OC)ncn2)CC1 ZINC000184064053 396283745 /nfs/dbraw/zinc/28/37/45/396283745.db2.gz GJFUGIUWZJPQMD-CHWSQXEVSA-N 1 2 321.425 0.910 10 0 DCAELO O=C([C@H]1CSC(=O)N1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184234318 396288698 /nfs/dbraw/zinc/28/86/98/396288698.db2.gz UCJDHFMUTLZQRX-LLVKDONJSA-N 1 2 306.391 0.945 10 0 DCAELO COc1cccc(CNC(=O)C[N@@H+]2CCO[C@]3(CCOC3)C2)c1 ZINC000185145016 396319849 /nfs/dbraw/zinc/31/98/49/396319849.db2.gz JIOYYJXMFAGCIO-QGZVFWFLSA-N 1 2 320.389 0.803 10 0 DCAELO COc1cccc(CNC(=O)C[N@H+]2CCO[C@]3(CCOC3)C2)c1 ZINC000185145016 396319852 /nfs/dbraw/zinc/31/98/52/396319852.db2.gz JIOYYJXMFAGCIO-QGZVFWFLSA-N 1 2 320.389 0.803 10 0 DCAELO COCCCn1c(C)cc(C(=O)C[N@@H+]2C[C@@H](O)C[C@@H]2CO)c1C ZINC000184716773 396302564 /nfs/dbraw/zinc/30/25/64/396302564.db2.gz NZKUREJJJYLRBT-CABCVRRESA-N 1 2 324.421 0.752 10 0 DCAELO COCCCn1c(C)cc(C(=O)C[N@H+]2C[C@@H](O)C[C@@H]2CO)c1C ZINC000184716773 396302566 /nfs/dbraw/zinc/30/25/66/396302566.db2.gz NZKUREJJJYLRBT-CABCVRRESA-N 1 2 324.421 0.752 10 0 DCAELO CC(C)C[C@H](CO)N(C)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000185389767 396326732 /nfs/dbraw/zinc/32/67/32/396326732.db2.gz SMFPANTXDKNKON-LSDHHAIUSA-N 1 2 314.474 0.671 10 0 DCAELO CC(C)CCOCCNC(=O)C[N@@H+]1CCCC[C@]1(C)C(N)=O ZINC000185884981 396336630 /nfs/dbraw/zinc/33/66/30/396336630.db2.gz NAHNVNPJRSZPOD-MRXNPFEDSA-N 1 2 313.442 0.895 10 0 DCAELO CC(C)CCOCCNC(=O)C[N@H+]1CCCC[C@]1(C)C(N)=O ZINC000185884981 396336633 /nfs/dbraw/zinc/33/66/33/396336633.db2.gz NAHNVNPJRSZPOD-MRXNPFEDSA-N 1 2 313.442 0.895 10 0 DCAELO Cc1noc(C)c1CCNC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000285607317 396351413 /nfs/dbraw/zinc/35/14/13/396351413.db2.gz XWMDHFGHJKXXKP-HUUCEWRRSA-N 1 2 322.409 0.948 10 0 DCAELO Cc1noc(C)c1CCNC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000285607317 396351417 /nfs/dbraw/zinc/35/14/17/396351417.db2.gz XWMDHFGHJKXXKP-HUUCEWRRSA-N 1 2 322.409 0.948 10 0 DCAELO O=C(Cc1cnc2ccccc2c1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000190240416 396403601 /nfs/dbraw/zinc/40/36/01/396403601.db2.gz NXJUDYCSEUVIOI-MRXNPFEDSA-N 1 2 310.401 0.893 10 0 DCAELO CCc1nnc(C2CC[NH+](CCNS(C)(=O)=O)CC2)[nH]1 ZINC000190647612 396409521 /nfs/dbraw/zinc/40/95/21/396409521.db2.gz CCKQXVIZCRHWMG-UHFFFAOYSA-N 1 2 301.416 0.096 10 0 DCAELO CCc1n[nH]c(C2CC[NH+](CCNS(C)(=O)=O)CC2)n1 ZINC000190647612 396409523 /nfs/dbraw/zinc/40/95/23/396409523.db2.gz CCKQXVIZCRHWMG-UHFFFAOYSA-N 1 2 301.416 0.096 10 0 DCAELO CCc1nc(C2CC[NH+](CCNS(C)(=O)=O)CC2)n[nH]1 ZINC000190647612 396409525 /nfs/dbraw/zinc/40/95/25/396409525.db2.gz CCKQXVIZCRHWMG-UHFFFAOYSA-N 1 2 301.416 0.096 10 0 DCAELO Cc1nn(C)cc1NC(=O)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000190753215 396410953 /nfs/dbraw/zinc/41/09/53/396410953.db2.gz XQKAFJNWGWDXFO-GFCCVEGCSA-N 1 2 316.365 0.555 10 0 DCAELO COCCN1CCC[N@H+](CC(=O)N2CCC[C@@H](C)C2)CC1=O ZINC000190763492 396411336 /nfs/dbraw/zinc/41/13/36/396411336.db2.gz APMKPIUJTGFYDA-CQSZACIVSA-N 1 2 311.426 0.426 10 0 DCAELO COCCN1CCC[N@@H+](CC(=O)N2CCC[C@@H](C)C2)CC1=O ZINC000190763492 396411337 /nfs/dbraw/zinc/41/13/37/396411337.db2.gz APMKPIUJTGFYDA-CQSZACIVSA-N 1 2 311.426 0.426 10 0 DCAELO C[C@H](O)CNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000192437383 396431463 /nfs/dbraw/zinc/43/14/63/396431463.db2.gz MCSWZUSZBDTFTI-AVGNSLFASA-N 1 2 322.409 0.875 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1CC(=O)N(C)C1)C2 ZINC000372465880 396519432 /nfs/dbraw/zinc/51/94/32/396519432.db2.gz SKAYIPNLZGJGBY-GHMZBOCLSA-N 1 2 304.394 0.985 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1CC(=O)N(C)C1)CC2 ZINC000372465880 396519437 /nfs/dbraw/zinc/51/94/37/396519437.db2.gz SKAYIPNLZGJGBY-GHMZBOCLSA-N 1 2 304.394 0.985 10 0 DCAELO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](O)C[C@H]2c2cccc(F)c2)C1 ZINC000374218475 396648445 /nfs/dbraw/zinc/64/84/45/396648445.db2.gz SEJVFQCVOZREIH-KKUMJFAQSA-N 1 2 308.353 0.791 10 0 DCAELO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](O)C[C@H]2c2cccc(F)c2)C1 ZINC000374218475 396648449 /nfs/dbraw/zinc/64/84/49/396648449.db2.gz SEJVFQCVOZREIH-KKUMJFAQSA-N 1 2 308.353 0.791 10 0 DCAELO Cn1cc[nH+]c1[C@@H]1CN(c2cc(=O)n3ccccc3n2)CCN1C ZINC000373679909 396607494 /nfs/dbraw/zinc/60/74/94/396607494.db2.gz HOIOLTAFMPXKFN-ZDUSSCGKSA-N 1 2 324.388 0.921 10 0 DCAELO CC(=O)N1CCC[N@H+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)CC1 ZINC000373931183 396624976 /nfs/dbraw/zinc/62/49/76/396624976.db2.gz ASPNQGGHICEWHX-CVEARBPZSA-N 1 2 323.437 0.711 10 0 DCAELO CC(=O)N1CCC[N@@H+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)CC1 ZINC000373931183 396624979 /nfs/dbraw/zinc/62/49/79/396624979.db2.gz ASPNQGGHICEWHX-CVEARBPZSA-N 1 2 323.437 0.711 10 0 DCAELO CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CCOCC[C@@H]1C)C(=O)OC ZINC000374990184 396703085 /nfs/dbraw/zinc/70/30/85/396703085.db2.gz RZWPMWBXQUNNPG-OBJOEFQTSA-N 1 2 300.399 0.801 10 0 DCAELO CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCOCC[C@@H]1C)C(=O)OC ZINC000374990184 396703086 /nfs/dbraw/zinc/70/30/86/396703086.db2.gz RZWPMWBXQUNNPG-OBJOEFQTSA-N 1 2 300.399 0.801 10 0 DCAELO C[C@H](c1nnnn1C1CCCCC1)[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000375479033 396753835 /nfs/dbraw/zinc/75/38/35/396753835.db2.gz WWHFKRWBXLFNLX-IAQYHMDHSA-N 1 2 322.413 0.552 10 0 DCAELO C[C@H](c1nnnn1C1CCCCC1)[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000375479033 396753846 /nfs/dbraw/zinc/75/38/46/396753846.db2.gz WWHFKRWBXLFNLX-IAQYHMDHSA-N 1 2 322.413 0.552 10 0 DCAELO C[C@H](c1nnnn1C1CCCCC1)[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000375479032 396754109 /nfs/dbraw/zinc/75/41/09/396754109.db2.gz WWHFKRWBXLFNLX-ABAIWWIYSA-N 1 2 322.413 0.552 10 0 DCAELO C[C@H](c1nnnn1C1CCCCC1)[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000375479032 396754117 /nfs/dbraw/zinc/75/41/17/396754117.db2.gz WWHFKRWBXLFNLX-ABAIWWIYSA-N 1 2 322.413 0.552 10 0 DCAELO CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)Cn2ccnn2)C1 ZINC000328627167 396824128 /nfs/dbraw/zinc/82/41/28/396824128.db2.gz MNCHUCZGURTHCW-LBPRGKRZSA-N 1 2 316.365 0.419 10 0 DCAELO CCN1CCN(C(=O)c2c[nH]c(C)n2)C[C@@H]1c1[nH+]ccn1C ZINC000328644364 396829175 /nfs/dbraw/zinc/82/91/75/396829175.db2.gz ZETUXDYNCCVRSU-CYBMUJFWSA-N 1 2 302.382 0.971 10 0 DCAELO COCCC1(CNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000332760804 396891698 /nfs/dbraw/zinc/89/16/98/396891698.db2.gz RFGTVTAPBUKRST-UONOGXRCSA-N 1 2 311.426 0.918 10 0 DCAELO COCCC1(CNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000332760804 396891704 /nfs/dbraw/zinc/89/17/04/396891704.db2.gz RFGTVTAPBUKRST-UONOGXRCSA-N 1 2 311.426 0.918 10 0 DCAELO CCCCNC(=O)C[NH+]1CCN([C@H](C(=O)OC)C2CC2)CC1 ZINC000611659779 396904616 /nfs/dbraw/zinc/90/46/16/396904616.db2.gz GKEROMIDMZQGKT-HNNXBMFYSA-N 1 2 311.426 0.472 10 0 DCAELO CN1CC[NH+](C[C@H]2CN(C(=O)N[C@H]3CC3(C)C)CCO2)CC1 ZINC000601270910 397037568 /nfs/dbraw/zinc/03/75/68/397037568.db2.gz BQCNYFBCASOZFM-KBPBESRZSA-N 1 2 310.442 0.443 10 0 DCAELO CC(=O)N1CCN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C(C)(C)C1 ZINC000613258364 397230627 /nfs/dbraw/zinc/23/06/27/397230627.db2.gz WSNRQYIMOFXJJY-GFCCVEGCSA-N 1 2 304.394 0.984 10 0 DCAELO CC(=O)N1CCN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C(C)(C)C1 ZINC000613258364 397230631 /nfs/dbraw/zinc/23/06/31/397230631.db2.gz WSNRQYIMOFXJJY-GFCCVEGCSA-N 1 2 304.394 0.984 10 0 DCAELO COC(=O)[C@@]1(C)CCC[N@@H+]1[C@H]1CCN(C2CCOCC2)C1=O ZINC000370119280 397447663 /nfs/dbraw/zinc/44/76/63/397447663.db2.gz DRDXUKBRTKVIRV-XJKSGUPXSA-N 1 2 310.394 0.794 10 0 DCAELO COC(=O)[C@@]1(C)CCC[N@H+]1[C@H]1CCN(C2CCOCC2)C1=O ZINC000370119280 397447666 /nfs/dbraw/zinc/44/76/66/397447666.db2.gz DRDXUKBRTKVIRV-XJKSGUPXSA-N 1 2 310.394 0.794 10 0 DCAELO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CC(=O)NC(=O)NC1CC1 ZINC000603875243 397624479 /nfs/dbraw/zinc/62/44/79/397624479.db2.gz NUZPPAPWWRSXOV-RTXFEEFZSA-N 1 2 323.393 0.781 10 0 DCAELO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CC(=O)NC(=O)NC1CC1 ZINC000603875243 397624484 /nfs/dbraw/zinc/62/44/84/397624484.db2.gz NUZPPAPWWRSXOV-RTXFEEFZSA-N 1 2 323.393 0.781 10 0 DCAELO COC(=O)c1ccc(S(=O)(=O)N[C@H]2CCC[N@H+](C)C2)o1 ZINC000606303519 397678972 /nfs/dbraw/zinc/67/89/72/397678972.db2.gz QDHMSBRXCHRSCM-VIFPVBQESA-N 1 2 302.352 0.439 10 0 DCAELO COC(=O)c1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+](C)C2)o1 ZINC000606303519 397678975 /nfs/dbraw/zinc/67/89/75/397678975.db2.gz QDHMSBRXCHRSCM-VIFPVBQESA-N 1 2 302.352 0.439 10 0 DCAELO CCOCCNC(=O)C[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000369554357 286095179 /nfs/dbraw/zinc/09/51/79/286095179.db2.gz XXOLTOVHWKGQEB-HNNXBMFYSA-N 1 2 300.399 0.409 10 0 DCAELO CCOCCNC(=O)C[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000369554357 286095181 /nfs/dbraw/zinc/09/51/81/286095181.db2.gz XXOLTOVHWKGQEB-HNNXBMFYSA-N 1 2 300.399 0.409 10 0 DCAELO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+]1CCNC(=O)CC1 ZINC000054259042 158019837 /nfs/dbraw/zinc/01/98/37/158019837.db2.gz QOXUGBGXCXBFJF-SECBINFHSA-N 1 2 317.349 0.005 10 0 DCAELO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+]1CCNC(=O)CC1 ZINC000054259042 158019840 /nfs/dbraw/zinc/01/98/40/158019840.db2.gz QOXUGBGXCXBFJF-SECBINFHSA-N 1 2 317.349 0.005 10 0 DCAELO Cn1nccc1CNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000072691747 158052406 /nfs/dbraw/zinc/05/24/06/158052406.db2.gz XBJNMAJAXOESPM-UHFFFAOYSA-N 1 2 324.344 0.861 10 0 DCAELO Cc1noc(CN2CC[NH+](CC(=O)N3CCC[C@@H](C)C3)CC2)n1 ZINC000101545863 158127102 /nfs/dbraw/zinc/12/71/02/158127102.db2.gz AZPLPSRKASDSDZ-CYBMUJFWSA-N 1 2 321.425 0.754 10 0 DCAELO C[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116994989 158168697 /nfs/dbraw/zinc/16/86/97/158168697.db2.gz VLXMTKDZDPZSJK-NEPJUHHUSA-N 1 2 303.428 0.011 10 0 DCAELO C[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116994989 158168699 /nfs/dbraw/zinc/16/86/99/158168699.db2.gz VLXMTKDZDPZSJK-NEPJUHHUSA-N 1 2 303.428 0.011 10 0 DCAELO COCC[N@@H+]1CCN(S(=O)(=O)N2CCCCC2)C[C@H]1C ZINC000117369738 158171535 /nfs/dbraw/zinc/17/15/35/158171535.db2.gz UGDOCWURIGGKRZ-CYBMUJFWSA-N 1 2 305.444 0.370 10 0 DCAELO COCC[N@H+]1CCN(S(=O)(=O)N2CCCCC2)C[C@H]1C ZINC000117369738 158171537 /nfs/dbraw/zinc/17/15/37/158171537.db2.gz UGDOCWURIGGKRZ-CYBMUJFWSA-N 1 2 305.444 0.370 10 0 DCAELO COc1cccc([C@@H](O)C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000119562360 158189628 /nfs/dbraw/zinc/18/96/28/158189628.db2.gz SQBNCUCQKWCIKK-GOEBONIOSA-N 1 2 320.389 0.662 10 0 DCAELO CCCn1cc(CN2CC[NH+](CC(=O)NC3CC3)CC2)cn1 ZINC000120758310 158203452 /nfs/dbraw/zinc/20/34/52/158203452.db2.gz UZBXAKDEAVXGNS-UHFFFAOYSA-N 1 2 305.426 0.689 10 0 DCAELO CCCn1cc(C[NH+]2CCN(CC(=O)NC3CC3)CC2)cn1 ZINC000120758310 158203459 /nfs/dbraw/zinc/20/34/59/158203459.db2.gz UZBXAKDEAVXGNS-UHFFFAOYSA-N 1 2 305.426 0.689 10 0 DCAELO CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000121914247 158216668 /nfs/dbraw/zinc/21/66/68/158216668.db2.gz JVFTVCKVKOZVEK-RYUDHWBXSA-N 1 2 323.397 0.371 10 0 DCAELO O=S(=O)(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1cccc(F)c1 ZINC000123684049 158233214 /nfs/dbraw/zinc/23/32/14/158233214.db2.gz YMLBYTSZHARAPR-ZDUSSCGKSA-N 1 2 314.382 0.967 10 0 DCAELO O=S(=O)(NC[C@H]1C[N@H+](C2CC2)CCO1)c1cccc(F)c1 ZINC000123684049 158233215 /nfs/dbraw/zinc/23/32/15/158233215.db2.gz YMLBYTSZHARAPR-ZDUSSCGKSA-N 1 2 314.382 0.967 10 0 DCAELO C[C@@H](CNC(=O)C[C@H]1c2ccccc2NC1=O)[NH+]1CCOCC1 ZINC000125076183 158250275 /nfs/dbraw/zinc/25/02/75/158250275.db2.gz KGWAUWVULZEAHN-JSGCOSHPSA-N 1 2 317.389 0.949 10 0 DCAELO CCCC[C@@H](NC(=O)NCC)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000125217565 158252053 /nfs/dbraw/zinc/25/20/53/158252053.db2.gz DYRVWNWTWRZJSR-CHWSQXEVSA-N 1 2 314.430 0.311 10 0 DCAELO CCCC[C@@H](NC(=O)NCC)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000125217565 158252054 /nfs/dbraw/zinc/25/20/54/158252054.db2.gz DYRVWNWTWRZJSR-CHWSQXEVSA-N 1 2 314.430 0.311 10 0 DCAELO C[C@@H](NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)C1CCOCC1 ZINC000134933280 158332519 /nfs/dbraw/zinc/33/25/19/158332519.db2.gz FFBGQCMDTSTJSB-UKRRQHHQSA-N 1 2 311.426 0.918 10 0 DCAELO COCCC1(CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CC1 ZINC000151591457 158348751 /nfs/dbraw/zinc/34/87/51/158348751.db2.gz DMZFKICRJGGTBG-AWEZNQCLSA-N 1 2 311.426 0.919 10 0 DCAELO Cc1cc(CN2CC[NH+](C[C@@H](C)CS(C)(=O)=O)CC2)on1 ZINC000162652912 158360693 /nfs/dbraw/zinc/36/06/93/158360693.db2.gz ZWIKQLOHGGHJDU-GFCCVEGCSA-N 1 2 315.439 0.781 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)c2ccccc2N2CCOCC2)C1 ZINC000170683817 158375810 /nfs/dbraw/zinc/37/58/10/158375810.db2.gz GZFCHBCWCSXYBX-CQSZACIVSA-N 1 2 319.405 0.584 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)c2ccccc2N2CCOCC2)C1 ZINC000170683817 158375813 /nfs/dbraw/zinc/37/58/13/158375813.db2.gz GZFCHBCWCSXYBX-CQSZACIVSA-N 1 2 319.405 0.584 10 0 DCAELO CN1CC[C@@H](NC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000172356325 158393748 /nfs/dbraw/zinc/39/37/48/158393748.db2.gz NSCHIKCJFLHRAZ-CYBMUJFWSA-N 1 2 317.393 0.580 10 0 DCAELO O=C(CNC(=O)c1ccccn1)NCCc1cn2ccccc2[nH+]1 ZINC000172501571 158394924 /nfs/dbraw/zinc/39/49/24/158394924.db2.gz ZOCYSHBNVIXWDK-UHFFFAOYSA-N 1 2 323.356 0.818 10 0 DCAELO CC(=O)Nc1nc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cs1 ZINC000172756668 158399754 /nfs/dbraw/zinc/39/97/54/158399754.db2.gz PIMVPHSMVLKWRV-NSHDSACASA-N 1 2 324.406 0.648 10 0 DCAELO Cc1nnnn1-c1cc(NC(=O)[C@@H]2COCC[NH2+]2)ccc1F ZINC000237579957 158639972 /nfs/dbraw/zinc/63/99/72/158639972.db2.gz IREVWOMYHYUGCH-NSHDSACASA-N 1 2 306.301 0.037 10 0 DCAELO O=C([C@H]1CCCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1)N1CCCC1 ZINC000263251074 158866251 /nfs/dbraw/zinc/86/62/51/158866251.db2.gz PXYUHNDSFBMLGP-RYUDHWBXSA-N 1 2 315.364 0.845 10 0 DCAELO Cc1cc(C)n([C@H](C)C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC000328888404 159037903 /nfs/dbraw/zinc/03/79/03/159037903.db2.gz QBVLQRDTMQWCTN-ILXRZTDVSA-N 1 2 306.410 0.992 10 0 DCAELO Cc1cc(C)n([C@H](C)C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000328888404 159037906 /nfs/dbraw/zinc/03/79/06/159037906.db2.gz QBVLQRDTMQWCTN-ILXRZTDVSA-N 1 2 306.410 0.992 10 0 DCAELO C[C@H](C(=O)N1CCC[C@H](c2nnc[nH]2)C1)[NH+]1CCSCC1 ZINC000328928975 159043303 /nfs/dbraw/zinc/04/33/03/159043303.db2.gz GXKHNXZYVFCWRU-NEPJUHHUSA-N 1 2 309.439 0.948 10 0 DCAELO C[C@H](C(=O)N1CCC[C@H](c2nc[nH]n2)C1)[NH+]1CCSCC1 ZINC000328928975 159043304 /nfs/dbraw/zinc/04/33/04/159043304.db2.gz GXKHNXZYVFCWRU-NEPJUHHUSA-N 1 2 309.439 0.948 10 0 DCAELO Cc1noc([C@H]2C[N@H+]([C@H]3CCN(C4CC4)C3=O)CCN2C)n1 ZINC000328961787 159047231 /nfs/dbraw/zinc/04/72/31/159047231.db2.gz QTADBGIKQGRMDZ-QWHCGFSZSA-N 1 2 305.382 0.430 10 0 DCAELO Cc1noc([C@H]2C[N@@H+]([C@H]3CCN(C4CC4)C3=O)CCN2C)n1 ZINC000328961787 159047233 /nfs/dbraw/zinc/04/72/33/159047233.db2.gz QTADBGIKQGRMDZ-QWHCGFSZSA-N 1 2 305.382 0.430 10 0 DCAELO C[C@@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329155061 159068515 /nfs/dbraw/zinc/06/85/15/159068515.db2.gz CHCAUPWAUGIBRR-FRRDWIJNSA-N 1 2 300.424 0.506 10 0 DCAELO C[C@@H]1CCCCN1C(=O)C[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329155061 159068517 /nfs/dbraw/zinc/06/85/17/159068517.db2.gz CHCAUPWAUGIBRR-FRRDWIJNSA-N 1 2 300.424 0.506 10 0 DCAELO COc1cc(N2CC[NH+]([C@H]3CCN(C4CC4)C3=O)CC2)ncn1 ZINC000329612228 159106276 /nfs/dbraw/zinc/10/62/76/159106276.db2.gz DLPXLQRTPZUNHI-ZDUSSCGKSA-N 1 2 317.393 0.371 10 0 DCAELO O=C(CCn1nc2ccccn2c1=O)N1CCn2cc[nH+]c2C1 ZINC000329613757 159106728 /nfs/dbraw/zinc/10/67/28/159106728.db2.gz CUPMISTVSMQRAW-UHFFFAOYSA-N 1 2 312.333 0.125 10 0 DCAELO Cc1nc(C)n(C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)CCO2)n1 ZINC000329767930 159118576 /nfs/dbraw/zinc/11/85/76/159118576.db2.gz FZPVDGGUPITPBZ-AWEZNQCLSA-N 1 2 318.381 0.409 10 0 DCAELO CC[C@@H]1CN(C(=O)C2(O)CCOCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000330001148 159134650 /nfs/dbraw/zinc/13/46/50/159134650.db2.gz AANALLFWCOWSAP-KGLIPLIRSA-N 1 2 312.410 0.097 10 0 DCAELO O=C(c1c[nH]nc1[C@@H]1CCOC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000330330516 159160897 /nfs/dbraw/zinc/16/08/97/159160897.db2.gz NJYMHVWSLNXKRO-OLZOCXBDSA-N 1 2 320.393 0.460 10 0 DCAELO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N[C@@H]1CCCNC1=O)CCC2 ZINC000332679235 159211168 /nfs/dbraw/zinc/21/11/68/159211168.db2.gz GFIRTJPFQOVZBA-VXGBXAGGSA-N 1 2 305.382 0.647 10 0 DCAELO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000332919155 159217173 /nfs/dbraw/zinc/21/71/73/159217173.db2.gz BJBRFONFSQORKP-XUJVJEKNSA-N 1 2 323.437 0.611 10 0 DCAELO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000332919155 159217176 /nfs/dbraw/zinc/21/71/76/159217176.db2.gz BJBRFONFSQORKP-XUJVJEKNSA-N 1 2 323.437 0.611 10 0 DCAELO Cn1cc(C[C@H]2CCN(c3nc4c(cnn4C)c(N)[nH+]3)C2)cn1 ZINC000364972825 159276639 /nfs/dbraw/zinc/27/66/39/159276639.db2.gz OMNURFNYEVKCDU-SNVBAGLBSA-N 1 2 312.381 0.748 10 0 DCAELO O=C(C=C1CCC1)N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1=O ZINC000367985590 159367852 /nfs/dbraw/zinc/36/78/52/159367852.db2.gz WDBHYWSAZJIIRA-OAHLLOKOSA-N 1 2 321.421 0.536 10 0 DCAELO C[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000368415103 159393258 /nfs/dbraw/zinc/39/32/58/159393258.db2.gz YHVQOXWWEYAKRS-UONOGXRCSA-N 1 2 309.410 0.178 10 0 DCAELO CO[C@H](C(=O)N1CCn2c(C)c(C)[nH+]c2C1)c1cnn(C)c1 ZINC000375619039 159805446 /nfs/dbraw/zinc/80/54/46/159805446.db2.gz CBQCODKKDPAWGD-AWEZNQCLSA-N 1 2 303.366 0.963 10 0 DCAELO CCC(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCN(C)CC2)C1 ZINC000407979234 160001257 /nfs/dbraw/zinc/00/12/57/160001257.db2.gz SXPHZTBMZYXUTO-ZIAGYGMSSA-N 1 2 310.442 0.140 10 0 DCAELO COCC[N@@H+]1CCN(C(=O)C(=O)N2CCC(C)CC2)C[C@H]1C ZINC000407991164 160005142 /nfs/dbraw/zinc/00/51/42/160005142.db2.gz OEOQDRAEGUQPFX-CQSZACIVSA-N 1 2 311.426 0.424 10 0 DCAELO COCC[N@H+]1CCN(C(=O)C(=O)N2CCC(C)CC2)C[C@H]1C ZINC000407991164 160005145 /nfs/dbraw/zinc/00/51/45/160005145.db2.gz OEOQDRAEGUQPFX-CQSZACIVSA-N 1 2 311.426 0.424 10 0 DCAELO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1C[C@@H](C)O[C@@H](CO)C1 ZINC000408048689 160022616 /nfs/dbraw/zinc/02/26/16/160022616.db2.gz ZUZKUFUSGIVJAX-KBUPBQIOSA-N 1 2 319.405 0.762 10 0 DCAELO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000408082460 160032055 /nfs/dbraw/zinc/03/20/55/160032055.db2.gz GTOODGLYBAPMJS-WDEREUQCSA-N 1 2 311.407 0.499 10 0 DCAELO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000408082460 160032058 /nfs/dbraw/zinc/03/20/58/160032058.db2.gz GTOODGLYBAPMJS-WDEREUQCSA-N 1 2 311.407 0.499 10 0 DCAELO C[C@H](Sc1nnnn1C1CC1)C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000408113712 160039080 /nfs/dbraw/zinc/03/90/80/160039080.db2.gz UOCYIOMXLNKVSE-ZJUUUORDSA-N 1 2 310.427 0.651 10 0 DCAELO C[C@H](Sc1nnnn1C1CC1)C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000408113712 160039082 /nfs/dbraw/zinc/03/90/82/160039082.db2.gz UOCYIOMXLNKVSE-ZJUUUORDSA-N 1 2 310.427 0.651 10 0 DCAELO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(S(C)(=O)=O)o3)[C@@H]2C1 ZINC000408143747 160047148 /nfs/dbraw/zinc/04/71/48/160047148.db2.gz BWAZBCSSXSXZOO-GHMZBOCLSA-N 1 2 312.391 0.849 10 0 DCAELO C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(S(C)(=O)=O)o3)[C@@H]2C1 ZINC000408143747 160047149 /nfs/dbraw/zinc/04/71/49/160047149.db2.gz BWAZBCSSXSXZOO-GHMZBOCLSA-N 1 2 312.391 0.849 10 0 DCAELO C[C@@H]1CCCCN1C(=O)C[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000408224908 160063984 /nfs/dbraw/zinc/06/39/84/160063984.db2.gz XXFSDOGQPDNWQR-CHWSQXEVSA-N 1 2 302.440 0.754 10 0 DCAELO C[C@@H]1CCCCN1C(=O)C[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000408224908 160063987 /nfs/dbraw/zinc/06/39/87/160063987.db2.gz XXFSDOGQPDNWQR-CHWSQXEVSA-N 1 2 302.440 0.754 10 0 DCAELO Cn1cc[nH+]c1[C@H]1CN(C(=O)C2CCC(O)CC2)CCN1C ZINC000408291170 160077383 /nfs/dbraw/zinc/07/73/83/160077383.db2.gz VOTUHTXGUJRLDZ-JXQTWKCFSA-N 1 2 306.410 0.786 10 0 DCAELO Cn1cc[nH+]c1[C@H]1CN(C(=O)NC[C@@]2(C)CCOC2)CCN1C ZINC000408302816 160079971 /nfs/dbraw/zinc/07/99/71/160079971.db2.gz JHIZONUTQDHIRL-CZUORRHYSA-N 1 2 321.425 0.845 10 0 DCAELO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)c1ccnc(S(C)(=O)=O)n1 ZINC000408357422 160091562 /nfs/dbraw/zinc/09/15/62/160091562.db2.gz WOOJZEYDYHAYMS-AOOOYVTPSA-N 1 2 312.395 0.045 10 0 DCAELO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)c1ccnc(S(C)(=O)=O)n1 ZINC000408357422 160091563 /nfs/dbraw/zinc/09/15/63/160091563.db2.gz WOOJZEYDYHAYMS-AOOOYVTPSA-N 1 2 312.395 0.045 10 0 DCAELO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CC[N@H+](CCO)[C@H](C)C2)C1 ZINC000408367813 160093151 /nfs/dbraw/zinc/09/31/51/160093151.db2.gz YIIQOFZNBSDEIB-MGPQQGTHSA-N 1 2 319.471 0.208 10 0 DCAELO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CC[N@@H+](CCO)[C@H](C)C2)C1 ZINC000408367813 160093152 /nfs/dbraw/zinc/09/31/52/160093152.db2.gz YIIQOFZNBSDEIB-MGPQQGTHSA-N 1 2 319.471 0.208 10 0 DCAELO CCN(CC)S(=O)(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000408385055 160097041 /nfs/dbraw/zinc/09/70/41/160097041.db2.gz IFMLWMVROPPQOH-LBPRGKRZSA-N 1 2 315.443 0.295 10 0 DCAELO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCC(=O)OC)CCN1CC(F)F ZINC000153469238 287050193 /nfs/dbraw/zinc/05/01/93/287050193.db2.gz KPLSNVBTRJNPHM-WDEREUQCSA-N 1 2 321.368 0.325 10 0 DCAELO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)NCC(=O)OC)CCN1CC(F)F ZINC000153469238 287050195 /nfs/dbraw/zinc/05/01/95/287050195.db2.gz KPLSNVBTRJNPHM-WDEREUQCSA-N 1 2 321.368 0.325 10 0 DCAELO CC(C)Cn1cc[nH+]c1CNC(=O)N1CCN(C)C(=O)[C@@H]1C ZINC000186830693 287057802 /nfs/dbraw/zinc/05/78/02/287057802.db2.gz NBRJAXRNDNRRRM-LBPRGKRZSA-N 1 2 307.398 0.911 10 0 DCAELO C[C@H](CNC(=O)NCCCC(=O)NC1CC1)[NH+]1CCOCC1 ZINC000192784806 287059957 /nfs/dbraw/zinc/05/99/57/287059957.db2.gz RMGCRNOCFZSWGY-GFCCVEGCSA-N 1 2 312.414 0.065 10 0 DCAELO CC[C@@H]1CN(S(=O)(=O)[C@H]2CCO[C@H]2C)CC[N@@H+]1CCOC ZINC000248891870 287103157 /nfs/dbraw/zinc/10/31/57/287103157.db2.gz FXQUHZGQYIIMFP-MJBXVCDLSA-N 1 2 320.455 0.536 10 0 DCAELO CC[C@@H]1CN(S(=O)(=O)[C@H]2CCO[C@H]2C)CC[N@H+]1CCOC ZINC000248891870 287103158 /nfs/dbraw/zinc/10/31/58/287103158.db2.gz FXQUHZGQYIIMFP-MJBXVCDLSA-N 1 2 320.455 0.536 10 0 DCAELO OCCO[C@@H]1CCCN(c2cc(N3CCC[C@@H]3CO)nc[nH+]2)C1 ZINC000265260183 415125779 /nfs/dbraw/zinc/12/57/79/415125779.db2.gz YFOWVUIBYSNGHV-ZIAGYGMSSA-N 1 2 322.409 0.415 10 0 DCAELO OCCO[C@@H]1CCCN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)C1 ZINC000265260183 415125780 /nfs/dbraw/zinc/12/57/80/415125780.db2.gz YFOWVUIBYSNGHV-ZIAGYGMSSA-N 1 2 322.409 0.415 10 0 DCAELO CC(C)N1CC[NH+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000085785186 415506674 /nfs/dbraw/zinc/50/66/74/415506674.db2.gz UKZVCDPMSROUJS-CQSZACIVSA-N 1 2 303.472 0.684 10 0 DCAELO C[C@H](O)C[NH+]1CCN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000333131491 415567311 /nfs/dbraw/zinc/56/73/11/415567311.db2.gz HZHFRDMCWHZBKP-CRWXNKLISA-N 1 2 302.440 0.503 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnn4cccnc34)C[C@@H]21 ZINC000284367745 415594303 /nfs/dbraw/zinc/59/43/03/415594303.db2.gz FDVCDIRURQSULQ-QWHCGFSZSA-N 1 2 301.350 0.274 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnn4cccnc34)C[C@@H]21 ZINC000284367745 415594306 /nfs/dbraw/zinc/59/43/06/415594306.db2.gz FDVCDIRURQSULQ-QWHCGFSZSA-N 1 2 301.350 0.274 10 0 DCAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@H]1CC(=O)N(C)C1)C2 ZINC000112667560 415715231 /nfs/dbraw/zinc/71/52/31/415715231.db2.gz DMIFNJVVNPOENV-NSHDSACASA-N 1 2 304.394 0.907 10 0 DCAELO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)N2CCCCC2)CC1 ZINC000123224493 415840158 /nfs/dbraw/zinc/84/01/58/415840158.db2.gz ACGVBJBPZBPHLX-ZDUSSCGKSA-N 1 2 305.444 0.106 10 0 DCAELO CCCCSCCC(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000128052561 415896059 /nfs/dbraw/zinc/89/60/59/415896059.db2.gz AHRNNMKUQLKQGN-CYBMUJFWSA-N 1 2 304.456 0.719 10 0 DCAELO CCC[C@@H](CCO)CNC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000173826717 416066436 /nfs/dbraw/zinc/06/64/36/416066436.db2.gz UQZOKMOSCABFIZ-KGLIPLIRSA-N 1 2 301.431 0.805 10 0 DCAELO Cc1nnc(NC(=O)N2CCN(C)[C@@H](c3[nH]cc[nH+]3)C2)s1 ZINC000328619749 416123521 /nfs/dbraw/zinc/12/35/21/416123521.db2.gz GEDWJMNIECHEIW-SECBINFHSA-N 1 2 307.383 1.090 10 0 DCAELO COc1csc(C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c1 ZINC000176480271 416128375 /nfs/dbraw/zinc/12/83/75/416128375.db2.gz SRBSZVQCURVHIQ-AWEZNQCLSA-N 1 2 314.407 0.570 10 0 DCAELO CCOCCS(=O)(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000176990263 416138336 /nfs/dbraw/zinc/13/83/36/416138336.db2.gz ZIQAUERWJBOZTB-CHWSQXEVSA-N 1 2 306.428 0.005 10 0 DCAELO C[C@@H]1CN(CC(=O)NCC(F)(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC000177282525 416144551 /nfs/dbraw/zinc/14/45/51/416144551.db2.gz JZYNGFGDWGLKMN-MNOVXSKESA-N 1 2 309.332 0.317 10 0 DCAELO C[C@@H]1C[N@H+](CC(=O)NCC(F)(F)F)C[C@@H]1N1CCOCC1 ZINC000177282525 416144554 /nfs/dbraw/zinc/14/45/54/416144554.db2.gz JZYNGFGDWGLKMN-MNOVXSKESA-N 1 2 309.332 0.317 10 0 DCAELO C[C@@H]1C[N@@H+](CC(=O)NCC(F)(F)F)C[C@@H]1N1CCOCC1 ZINC000177282525 416144556 /nfs/dbraw/zinc/14/45/56/416144556.db2.gz JZYNGFGDWGLKMN-MNOVXSKESA-N 1 2 309.332 0.317 10 0 DCAELO COC(=O)[C@H](Nc1cnn(CC[NH+]2CCOCC2)c1)C1CC1 ZINC000357896533 416148695 /nfs/dbraw/zinc/14/86/95/416148695.db2.gz SIQOYXHNKXTWDZ-CQSZACIVSA-N 1 2 308.382 0.579 10 0 DCAELO COc1cc(/C=C/C(=O)NC[C@H]2C[NH+]3CCN2CC3)ccc1F ZINC000178787992 416172193 /nfs/dbraw/zinc/17/21/93/416172193.db2.gz VLPXSQANGYWKKT-KQIUPUNMSA-N 1 2 319.380 0.964 10 0 DCAELO Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[NH+]3CCN2CC3)cc1 ZINC000178997215 416178802 /nfs/dbraw/zinc/17/88/02/416178802.db2.gz 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ZINC000341754172 416231348 /nfs/dbraw/zinc/23/13/48/416231348.db2.gz NYJDHXAVZAUPGL-CVSAEHQPSA-N 1 2 324.421 0.897 10 0 DCAELO COC(=O)C1CCC(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)CC1 ZINC000341754172 416231352 /nfs/dbraw/zinc/23/13/52/416231352.db2.gz NYJDHXAVZAUPGL-CVSAEHQPSA-N 1 2 324.421 0.897 10 0 DCAELO CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)c2ccccc2OC)CC1 ZINC000183734811 416247904 /nfs/dbraw/zinc/24/79/04/416247904.db2.gz RVNQGNNYRATPCF-CYBMUJFWSA-N 1 2 320.389 0.793 10 0 DCAELO OC[C@@H]1CCCN1c1cc(NC[C@H](O)C(F)(F)F)[nH+]cn1 ZINC000264316706 416339017 /nfs/dbraw/zinc/33/90/17/416339017.db2.gz INGARSLVHIGJHS-IUCAKERBSA-N 1 2 306.288 0.773 10 0 DCAELO OC[C@@H]1CCCN1c1cc(NC[C@H](O)C(F)(F)F)nc[nH+]1 ZINC000264316706 416339018 /nfs/dbraw/zinc/33/90/18/416339018.db2.gz INGARSLVHIGJHS-IUCAKERBSA-N 1 2 306.288 0.773 10 0 DCAELO O=C(C[NH+]1CCN(c2ccccn2)CC1)NC[C@@H](CO)C1CC1 ZINC000359778579 416358120 /nfs/dbraw/zinc/35/81/20/416358120.db2.gz PRUSGDJXSAVESB-HNNXBMFYSA-N 1 2 318.421 0.338 10 0 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/nfs/dbraw/zinc/08/44/72/417084472.db2.gz FHFSRUYLEDXRNG-LBPRGKRZSA-N 1 2 313.379 0.013 10 0 DCAELO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N2CC[C@@H](O)CC23CCC3)C1 ZINC000632476132 417116410 /nfs/dbraw/zinc/11/64/10/417116410.db2.gz TWRYJJJVTYVDLH-CHWSQXEVSA-N 1 2 318.439 0.026 10 0 DCAELO C[N@H+]1CCO[C@@H](CS(=O)(=O)N2CC[C@@H](O)CC23CCC3)C1 ZINC000632476132 417116415 /nfs/dbraw/zinc/11/64/15/417116415.db2.gz TWRYJJJVTYVDLH-CHWSQXEVSA-N 1 2 318.439 0.026 10 0 DCAELO CN(C[C@@H]1C[N@H+](C)CCO1)S(=O)(=O)c1cccc(F)c1 ZINC000632628859 417201031 /nfs/dbraw/zinc/20/10/31/417201031.db2.gz BEMXNUKUOUFYDU-LBPRGKRZSA-N 1 2 302.371 0.777 10 0 DCAELO CN(C[C@@H]1C[N@@H+](C)CCO1)S(=O)(=O)c1cccc(F)c1 ZINC000632628859 417201035 /nfs/dbraw/zinc/20/10/35/417201035.db2.gz BEMXNUKUOUFYDU-LBPRGKRZSA-N 1 2 302.371 0.777 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCCCC(=O)NC3CC3)C[C@H]21 ZINC000569267975 417234011 /nfs/dbraw/zinc/23/40/11/417234011.db2.gz QXBGSDFGFTUDDH-ZIAGYGMSSA-N 1 2 324.425 0.160 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCCCC(=O)NC3CC3)C[C@H]21 ZINC000569267975 417234018 /nfs/dbraw/zinc/23/40/18/417234018.db2.gz QXBGSDFGFTUDDH-ZIAGYGMSSA-N 1 2 324.425 0.160 10 0 DCAELO C[C@@H]1CCCN1S(=O)(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000451889351 417409867 /nfs/dbraw/zinc/40/98/67/417409867.db2.gz MCEZPJYLLCLXGG-UPJWGTAASA-N 1 2 305.444 0.102 10 0 DCAELO C[C@@H]1CCCN1S(=O)(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000451889351 417409871 /nfs/dbraw/zinc/40/98/71/417409871.db2.gz MCEZPJYLLCLXGG-UPJWGTAASA-N 1 2 305.444 0.102 10 0 DCAELO O=C(CN1CCCC[C@H](O)C1=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000644381754 417555883 /nfs/dbraw/zinc/55/58/83/417555883.db2.gz APRZREPWPOKRED-AWEZNQCLSA-N 1 2 320.393 0.489 10 0 DCAELO O=C(CN1CCCC[C@H](O)C1=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000644381754 417555891 /nfs/dbraw/zinc/55/58/91/417555891.db2.gz APRZREPWPOKRED-AWEZNQCLSA-N 1 2 320.393 0.489 10 0 DCAELO CCOc1cc(N[C@H]2CS(=O)(=O)C[C@@H]2OC)nc(C)[nH+]1 ZINC000664273026 418108636 /nfs/dbraw/zinc/10/86/36/418108636.db2.gz PRTQEXSZMFQDIU-UWVGGRQHSA-N 1 2 301.368 0.408 10 0 DCAELO O=c1[nH]c(NC[C@@H](O)C[NH+]2CCOCC2)nc2ccccc21 ZINC000299614147 229262583 /nfs/dbraw/zinc/26/25/83/229262583.db2.gz NIRWABMPZMJBIO-LLVKDONJSA-N 1 2 304.350 0.440 10 0 DCAELO CCC1(CC)C[N@H+](CCCNS(=O)(=O)CC)CC[S@@]1=O ZINC000185223788 261119350 /nfs/dbraw/zinc/11/93/50/261119350.db2.gz RAFNHFVSUZONJB-IBGZPJMESA-N 1 2 324.512 0.939 10 0 DCAELO CCC1(CC)C[N@@H+](CCCNS(=O)(=O)CC)CC[S@@]1=O ZINC000185223788 261119352 /nfs/dbraw/zinc/11/93/52/261119352.db2.gz RAFNHFVSUZONJB-IBGZPJMESA-N 1 2 324.512 0.939 10 0 DCAELO Cn1nnc(C[N@@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)n1 ZINC000193008510 261140383 /nfs/dbraw/zinc/14/03/83/261140383.db2.gz ILKIHBHCHOWMKP-SRVKXCTJSA-N 1 2 322.413 0.945 10 0 DCAELO Cn1nnc(C[N@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)n1 ZINC000193008510 261140386 /nfs/dbraw/zinc/14/03/86/261140386.db2.gz ILKIHBHCHOWMKP-SRVKXCTJSA-N 1 2 322.413 0.945 10 0 DCAELO COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCn2cc[nH+]c2C1 ZINC000234563438 261155118 /nfs/dbraw/zinc/15/51/18/261155118.db2.gz SNODNBKQSNZXIS-MNOVXSKESA-N 1 2 313.379 0.370 10 0 DCAELO CC(=O)c1ccccc1OCC[N@@H+]1CCn2c(CO)nnc2C1 ZINC000426472301 262553896 /nfs/dbraw/zinc/55/38/96/262553896.db2.gz OSUSDPOZGPROLQ-UHFFFAOYSA-N 1 2 316.361 0.868 10 0 DCAELO CC(=O)c1ccccc1OCC[N@H+]1CCn2c(CO)nnc2C1 ZINC000426472301 262553897 /nfs/dbraw/zinc/55/38/97/262553897.db2.gz OSUSDPOZGPROLQ-UHFFFAOYSA-N 1 2 316.361 0.868 10 0 DCAELO O=C(NCCn1cc[nH+]c1)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000359487331 271120045 /nfs/dbraw/zinc/12/00/45/271120045.db2.gz WQMWSFWZBIMEFS-LLVKDONJSA-N 1 2 306.288 0.982 10 0 DCAELO COC(=O)[C@@H](C1CC1)[NH+]1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000359608270 271130216 /nfs/dbraw/zinc/13/02/16/271130216.db2.gz ITZRFGTYQPJTJQ-CQSZACIVSA-N 1 2 318.377 0.254 10 0 DCAELO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N(C)CC2CC2)C[C@H](C)O1 ZINC000460009323 272023727 /nfs/dbraw/zinc/02/37/27/272023727.db2.gz LMEWQFNJPHUYHT-BETUJISGSA-N 1 2 311.426 0.422 10 0 DCAELO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N(C)CC2CC2)C[C@H](C)O1 ZINC000460009323 272023729 /nfs/dbraw/zinc/02/37/29/272023729.db2.gz LMEWQFNJPHUYHT-BETUJISGSA-N 1 2 311.426 0.422 10 0 DCAELO COCC[N@@H+]1CCN(S(=O)(=O)[C@@H]2CCO[C@@H](C)C2)C[C@@H]1C ZINC000408457571 277225123 /nfs/dbraw/zinc/22/51/23/277225123.db2.gz POOOILCXJXBXDT-MELADBBJSA-N 1 2 320.455 0.536 10 0 DCAELO COCC[N@H+]1CCN(S(=O)(=O)[C@@H]2CCO[C@@H](C)C2)C[C@@H]1C ZINC000408457571 277225124 /nfs/dbraw/zinc/22/51/24/277225124.db2.gz POOOILCXJXBXDT-MELADBBJSA-N 1 2 320.455 0.536 10 0 DCAELO C[C@@H](C(=O)N(C)C)[NH+]1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105911767 278183184 /nfs/dbraw/zinc/18/31/84/278183184.db2.gz KJSFVWFULJZJLF-GOEBONIOSA-N 1 2 305.422 0.814 10 0 DCAELO Cc1cc(N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)n2ncnc2n1 ZINC000280550993 280557972 /nfs/dbraw/zinc/55/79/72/280557972.db2.gz TXBMRQGWNNOGND-GFCCVEGCSA-N 1 2 312.381 0.659 10 0 DCAELO C[C@@H]1CN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C[C@H](C)O1 ZINC000554244133 288316392 /nfs/dbraw/zinc/31/63/92/288316392.db2.gz WZOFXAUUBQCDCK-PHIMTYICSA-N 1 2 302.334 0.909 10 0 DCAELO O=C(NCCCn1cccn1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000557354761 288418152 /nfs/dbraw/zinc/41/81/52/288418152.db2.gz MWWVINABXWSZLE-UHFFFAOYSA-N 1 2 312.333 0.676 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@@](C)(O)Cc3ccccc3)C[C@H]21 ZINC000286297805 290083613 /nfs/dbraw/zinc/08/36/13/290083613.db2.gz HVLAVZGTTODSED-NUJGCVRESA-N 1 2 318.417 0.912 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@@](C)(O)Cc3ccccc3)C[C@H]21 ZINC000286297805 290083616 /nfs/dbraw/zinc/08/36/16/290083616.db2.gz HVLAVZGTTODSED-NUJGCVRESA-N 1 2 318.417 0.912 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(S(=O)(=O)N3CCCCC3)C[C@@H]21 ZINC000328864157 290087467 /nfs/dbraw/zinc/08/74/67/290087467.db2.gz GBHRKHLZUHMSFU-QWHCGFSZSA-N 1 2 303.428 0.122 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(S(=O)(=O)N3CCCCC3)C[C@@H]21 ZINC000328864157 290087470 /nfs/dbraw/zinc/08/74/70/290087470.db2.gz GBHRKHLZUHMSFU-QWHCGFSZSA-N 1 2 303.428 0.122 10 0 DCAELO CN1C[C@@H](C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CC1=O ZINC000110953135 290261910 /nfs/dbraw/zinc/26/19/10/290261910.db2.gz TTZIUSKVKVREGM-KBPBESRZSA-N 1 2 309.410 0.178 10 0 DCAELO Cc1c[nH]cc(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c1=O ZINC000408135873 301028251 /nfs/dbraw/zinc/02/82/51/301028251.db2.gz ZMPOCRCVWBDRCB-TZMCWYRMSA-N 1 2 305.378 0.476 10 0 DCAELO Cc1cc(N2CC[C@H]([N@@H+]3CCCC4(C3)OCCO4)C2=O)n(C)n1 ZINC000090561429 301341924 /nfs/dbraw/zinc/34/19/24/301341924.db2.gz FMUSCZSDRYMZSJ-ZDUSSCGKSA-N 1 2 320.393 0.673 10 0 DCAELO Cc1cc(N2CC[C@H]([N@H+]3CCCC4(C3)OCCO4)C2=O)n(C)n1 ZINC000090561429 301341925 /nfs/dbraw/zinc/34/19/25/301341925.db2.gz FMUSCZSDRYMZSJ-ZDUSSCGKSA-N 1 2 320.393 0.673 10 0 DCAELO Cc1ccncc1S(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000408228469 302291514 /nfs/dbraw/zinc/29/15/14/302291514.db2.gz XPCUCHBPMMEASS-CHWSQXEVSA-N 1 2 313.423 0.466 10 0 DCAELO Cc1ccncc1S(=O)(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000408228469 302291516 /nfs/dbraw/zinc/29/15/16/302291516.db2.gz XPCUCHBPMMEASS-CHWSQXEVSA-N 1 2 313.423 0.466 10 0 DCAELO CC[C@@H]1CN(C(=O)c2cccc3nn[nH]c32)CC[N@@H+]1C[C@@H](C)O ZINC000188189842 333038870 /nfs/dbraw/zinc/03/88/70/333038870.db2.gz DFXGGWHCFUKJOR-VXGBXAGGSA-N 1 2 317.393 0.875 10 0 DCAELO CC[C@@H]1CN(C(=O)c2cccc3nn[nH]c32)CC[N@H+]1C[C@@H](C)O ZINC000188189842 333038871 /nfs/dbraw/zinc/03/88/71/333038871.db2.gz DFXGGWHCFUKJOR-VXGBXAGGSA-N 1 2 317.393 0.875 10 0 DCAELO Cc1ccc(OC[C@@H](O)C[NH+]2CCN(C[C@H](C)O)CC2)cc1 ZINC000189385276 333081185 /nfs/dbraw/zinc/08/11/85/333081185.db2.gz NBTGPVMXNJHRLA-HOTGVXAUSA-N 1 2 308.422 0.733 10 0 DCAELO CC(=O)NC1CN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000189953886 519648422 /nfs/dbraw/zinc/64/84/22/519648422.db2.gz IXWSNOBSOXRPRF-UHFFFAOYSA-N 1 2 313.361 0.902 10 0 DCAELO CC(C)c1nc2n(n1)C[C@@H](NC(=O)NCCn1cc[nH+]c1)CC2 ZINC000154828518 519871558 /nfs/dbraw/zinc/87/15/58/519871558.db2.gz VGVDCDUCCUIAMV-LBPRGKRZSA-N 1 2 317.397 0.912 10 0 DCAELO COC(=O)C1(NC[C@H](O)C[NH+]2CCOCC2)CCCCCC1 ZINC000154769655 522854948 /nfs/dbraw/zinc/85/49/48/522854948.db2.gz OWWMWVIUVSWUCP-AWEZNQCLSA-N 1 2 314.426 0.535 10 0 DCAELO COC(=O)C1([NH2+]C[C@H](O)CN2CCOCC2)CCCCCC1 ZINC000154769655 522854956 /nfs/dbraw/zinc/85/49/56/522854956.db2.gz OWWMWVIUVSWUCP-AWEZNQCLSA-N 1 2 314.426 0.535 10 0 DCAELO COC(=O)[C@H](c1cccnc1)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000245927880 523941203 /nfs/dbraw/zinc/94/12/03/523941203.db2.gz IHYYKCQUQPSTMA-IMJJTQAJSA-N 1 2 319.405 0.948 10 0 DCAELO COC(=O)c1[nH]c(C)c(C(=O)NC[C@@H]2C[N@H+](C)CCO2)c1C ZINC000155835014 524022455 /nfs/dbraw/zinc/02/24/55/524022455.db2.gz ZZTWJFBGDGPKPM-LLVKDONJSA-N 1 2 309.366 0.479 10 0 DCAELO COC(=O)c1[nH]c(C)c(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1C ZINC000155835014 524022457 /nfs/dbraw/zinc/02/24/57/524022457.db2.gz ZZTWJFBGDGPKPM-LLVKDONJSA-N 1 2 309.366 0.479 10 0 DCAELO C[C@H](C[NH+]1CCN(Cc2ccon2)CC1)CS(C)(=O)=O ZINC000119436829 524346264 /nfs/dbraw/zinc/34/62/64/524346264.db2.gz VHLIEJUTKYMTOW-GFCCVEGCSA-N 1 2 301.412 0.473 10 0 DCAELO Cc1cccc(F)c1NC(=O)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000156924042 524499464 /nfs/dbraw/zinc/49/94/64/524499464.db2.gz PGWFHUJNQACQDO-LBPRGKRZSA-N 1 2 323.368 0.910 10 0 DCAELO C[C@H](Cc1cccc(F)c1)C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000132289868 524715790 /nfs/dbraw/zinc/71/57/90/524715790.db2.gz CTEIOFMCOBQCHI-CZUORRHYSA-N 1 2 324.396 0.814 10 0 DCAELO C[C@@H]1CN(C(=O)c2nccn3ccnc23)C[C@H]1[NH+]1CCOCC1 ZINC000266130649 524888857 /nfs/dbraw/zinc/88/88/57/524888857.db2.gz DDZMLFQWINTNPB-CHWSQXEVSA-N 1 2 315.377 0.522 10 0 DCAELO O=C(NCc1cn2c([nH+]1)CCCC2)NC[C@]1(O)CCSC1 ZINC000267089065 526803536 /nfs/dbraw/zinc/80/35/36/526803536.db2.gz UJXNHQGPJKJYGU-CQSZACIVSA-N 1 2 310.423 0.887 10 0 DCAELO Cc1nc(CN2CC[NH+](C[C@H](C)CS(C)(=O)=O)CC2)no1 ZINC000119138190 526866087 /nfs/dbraw/zinc/86/60/87/526866087.db2.gz OLMKADSTSXVSND-NSHDSACASA-N 1 2 316.427 0.176 10 0 DCAELO Cn1cc(C[N@@H+]2CCCN(S(=O)(=O)c3ccco3)CC2)cn1 ZINC000188691587 527199949 /nfs/dbraw/zinc/19/99/49/527199949.db2.gz IZPRVQPAAVGKOV-UHFFFAOYSA-N 1 2 324.406 0.910 10 0 DCAELO Cn1cc(C[N@H+]2CCCN(S(=O)(=O)c3ccco3)CC2)cn1 ZINC000188691587 527199951 /nfs/dbraw/zinc/19/99/51/527199951.db2.gz IZPRVQPAAVGKOV-UHFFFAOYSA-N 1 2 324.406 0.910 10 0 DCAELO CCO[C@@H]1C[C@@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC000275526147 535426770 /nfs/dbraw/zinc/42/67/70/535426770.db2.gz BVNIUYKEFBJTPU-MELADBBJSA-N 1 2 304.394 0.934 10 0 DCAELO CCO[C@@H]1C[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000275526147 535426775 /nfs/dbraw/zinc/42/67/75/535426775.db2.gz BVNIUYKEFBJTPU-MELADBBJSA-N 1 2 304.394 0.934 10 0 DCAELO COc1ccc(O)c(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)c1 ZINC000284604878 536818131 /nfs/dbraw/zinc/81/81/31/536818131.db2.gz SYMQKEOBZKBEDS-UKRRQHHQSA-N 1 2 306.362 0.946 10 0 DCAELO COc1ccc(O)c(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1 ZINC000284604878 536818136 /nfs/dbraw/zinc/81/81/36/536818136.db2.gz SYMQKEOBZKBEDS-UKRRQHHQSA-N 1 2 306.362 0.946 10 0 DCAELO COc1ccc(S(=O)(=O)N(C)C[C@H]2C[N@H+](C)CCO2)cc1 ZINC000074774925 545671581 /nfs/dbraw/zinc/67/15/81/545671581.db2.gz LBMGGZUJXJSEHB-CYBMUJFWSA-N 1 2 314.407 0.646 10 0 DCAELO COc1ccc(S(=O)(=O)N(C)C[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000074774925 545671583 /nfs/dbraw/zinc/67/15/83/545671583.db2.gz LBMGGZUJXJSEHB-CYBMUJFWSA-N 1 2 314.407 0.646 10 0 DCAELO Cc1ncc(C[NH+]2CCN(c3nccn(C)c3=O)CC2)s1 ZINC000174731639 545885739 /nfs/dbraw/zinc/88/57/39/545885739.db2.gz GAJZJWQNOCBRDU-UHFFFAOYSA-N 1 2 305.407 0.867 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2cnn(C(C)(C)C)c2)C1 ZINC000178848271 545896818 /nfs/dbraw/zinc/89/68/18/545896818.db2.gz WHNQJZTXIIWGEI-LBPRGKRZSA-N 1 2 323.397 0.023 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2cnn(C(C)(C)C)c2)C1 ZINC000178848271 545896824 /nfs/dbraw/zinc/89/68/24/545896824.db2.gz WHNQJZTXIIWGEI-LBPRGKRZSA-N 1 2 323.397 0.023 10 0 DCAELO O=S(=O)(CC[C@@H]1CCCO1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000246045350 545962737 /nfs/dbraw/zinc/96/27/37/545962737.db2.gz SQMCZHDYFLIDJW-KGLIPLIRSA-N 1 2 318.439 0.292 10 0 DCAELO Cc1nc(NC[C@@H](C)S(N)(=O)=O)c(Br)c(C)[nH+]1 ZINC000398217190 546223743 /nfs/dbraw/zinc/22/37/43/546223743.db2.gz AWXDFONVTQLKAA-RXMQYKEDSA-N 1 2 323.216 0.367 10 0 DCAELO CC(=O)N1CSC[C@@H]1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000725729297 657848461 /nfs/dbraw/zinc/84/84/61/657848461.db2.gz QXYONAZVBZTTGA-GFCCVEGCSA-N 1 2 315.439 0.135 10 0 DCAELO CC(=O)N1CSC[C@@H]1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000725729297 657848469 /nfs/dbraw/zinc/84/84/69/657848469.db2.gz QXYONAZVBZTTGA-GFCCVEGCSA-N 1 2 315.439 0.135 10 0 DCAELO O=C(c1ccnnc1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000178985561 662084321 /nfs/dbraw/zinc/08/43/21/662084321.db2.gz VLEWRUNXCXGRFQ-INIZCTEOSA-N 1 2 312.373 0.968 10 0 DCAELO COC(=O)c1cn(C[N@@H+]2CCC[C@@H](Cc3noc(C)n3)C2)nn1 ZINC000171357592 664607598 /nfs/dbraw/zinc/60/75/98/664607598.db2.gz OOCSPFLYJQBLKN-NSHDSACASA-N 1 2 320.353 0.668 10 0 DCAELO COC(=O)c1cn(C[N@H+]2CCC[C@@H](Cc3noc(C)n3)C2)nn1 ZINC000171357592 664607599 /nfs/dbraw/zinc/60/75/99/664607599.db2.gz OOCSPFLYJQBLKN-NSHDSACASA-N 1 2 320.353 0.668 10 0 DCAELO CCn1nc(C)c(C[N@@H+]2CCC[C@](O)(Cc3nncn3C)C2)n1 ZINC000886088292 667731061 /nfs/dbraw/zinc/73/10/61/667731061.db2.gz GHTAZNRJQXFBQH-HNNXBMFYSA-N 1 2 319.413 0.305 10 0 DCAELO CCn1nc(C)c(C[N@H+]2CCC[C@](O)(Cc3nncn3C)C2)n1 ZINC000886088292 667731063 /nfs/dbraw/zinc/73/10/63/667731063.db2.gz GHTAZNRJQXFBQH-HNNXBMFYSA-N 1 2 319.413 0.305 10 0 DCAELO NC(=O)[C@@H]1CC[C@H](C(=O)NC/C=C\CO)[N@@H+]1Cc1ccccc1 ZINC000880672324 669256567 /nfs/dbraw/zinc/25/65/67/669256567.db2.gz VQKKMLOOQFFFDY-ZYOQUQOHSA-N 1 2 317.389 0.170 10 0 DCAELO NC(=O)[C@@H]1CC[C@H](C(=O)NC/C=C\CO)[N@H+]1Cc1ccccc1 ZINC000880672324 669256568 /nfs/dbraw/zinc/25/65/68/669256568.db2.gz VQKKMLOOQFFFDY-ZYOQUQOHSA-N 1 2 317.389 0.170 10 0 DCAELO COCCOC[C@H](O)C[N@@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC000712804781 670150913 /nfs/dbraw/zinc/15/09/13/670150913.db2.gz ZAAQSZGQWBHUKO-GHMZBOCLSA-N 1 2 301.305 0.664 10 0 DCAELO COCCOC[C@H](O)C[N@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC000712804781 670150915 /nfs/dbraw/zinc/15/09/15/670150915.db2.gz ZAAQSZGQWBHUKO-GHMZBOCLSA-N 1 2 301.305 0.664 10 0 DCAELO OC[C@H]1CCCN1c1cc(N2CCO[C@H](C(F)F)C2)[nH+]cn1 ZINC000193580676 670304194 /nfs/dbraw/zinc/30/41/94/670304194.db2.gz MNWQJKYCTOKBBF-MNOVXSKESA-N 1 2 314.336 0.908 10 0 DCAELO OC[C@H]1CCCN1c1cc(N2CCO[C@H](C(F)F)C2)nc[nH+]1 ZINC000193580676 670304197 /nfs/dbraw/zinc/30/41/97/670304197.db2.gz MNWQJKYCTOKBBF-MNOVXSKESA-N 1 2 314.336 0.908 10 0 DCAELO Cc1ncc(C[N@H+](C)CC(=O)N2CCC[C@H](C(N)=O)C2)s1 ZINC000076744638 185037908 /nfs/dbraw/zinc/03/79/08/185037908.db2.gz WRQLCJATQWOUKN-NSHDSACASA-N 1 2 310.423 0.607 10 0 DCAELO Cc1ncc(C[N@@H+](C)CC(=O)N2CCC[C@H](C(N)=O)C2)s1 ZINC000076744638 185037909 /nfs/dbraw/zinc/03/79/09/185037909.db2.gz WRQLCJATQWOUKN-NSHDSACASA-N 1 2 310.423 0.607 10 0 DCAELO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)N2CCC[C@@H]2C)CC1 ZINC000185031850 529510099 /nfs/dbraw/zinc/51/00/99/529510099.db2.gz FJXORPOTQICSDO-STQMWFEESA-N 1 2 305.444 0.104 10 0 DCAELO COc1cccc(C(=O)NC[C@H](O)C[NH+]2CCOCC2)c1F ZINC000090165918 185284309 /nfs/dbraw/zinc/28/43/09/185284309.db2.gz JHIBUXSIHAURES-NSHDSACASA-N 1 2 312.341 0.257 10 0 DCAELO Cc1nc2ccc(N(CC3CC3)C[C@@H]3C[N@H+](C)CCO3)nn2n1 ZINC000286696501 219115534 /nfs/dbraw/zinc/11/55/34/219115534.db2.gz ODQGDBRKVOPHHR-AWEZNQCLSA-N 1 2 316.409 0.980 10 0 DCAELO Cc1nc2ccc(N(CC3CC3)C[C@@H]3C[N@@H+](C)CCO3)nn2n1 ZINC000286696501 219115536 /nfs/dbraw/zinc/11/55/36/219115536.db2.gz ODQGDBRKVOPHHR-AWEZNQCLSA-N 1 2 316.409 0.980 10 0 DCAELO O=C([O-])[C@@H]1CN(C(=O)c2ccccc2-c2[nH]cc[nH+]2)CC[NH2+]1 ZINC000071763942 191027032 /nfs/dbraw/zinc/02/70/32/191027032.db2.gz XGGDLVPNESTBCP-LBPRGKRZSA-N 1 2 300.318 0.575 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC000171286660 197911617 /nfs/dbraw/zinc/91/16/17/197911617.db2.gz GXNKEPJDEIIQRM-CQSZACIVSA-N 1 2 301.350 0.328 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC000171286660 197911620 /nfs/dbraw/zinc/91/16/20/197911620.db2.gz GXNKEPJDEIIQRM-CQSZACIVSA-N 1 2 301.350 0.328 10 0 DCAELO COCCNC(=O)C[NH+]1CCN(Cc2ccn(C(C)C)n2)CC1 ZINC000172334566 198081219 /nfs/dbraw/zinc/08/12/19/198081219.db2.gz LIZYKEPLTKDLEV-UHFFFAOYSA-N 1 2 323.441 0.344 10 0 DCAELO COc1ncc(C)cc1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000175974345 198532088 /nfs/dbraw/zinc/53/20/88/198532088.db2.gz IYWZCDKUJZULOU-UHFFFAOYSA-N 1 2 318.377 0.644 10 0 DCAELO C[C@@H](NC(=O)NC(CO)CO)c1cccc(-n2cc[nH+]c2)c1 ZINC000074876516 191376840 /nfs/dbraw/zinc/37/68/40/191376840.db2.gz SXJJUIJIDHEREG-LLVKDONJSA-N 1 2 304.350 0.586 10 0 DCAELO NC(=O)[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173983441 283315246 /nfs/dbraw/zinc/31/52/46/283315246.db2.gz ATZVUVQQECVYIT-LSDHHAIUSA-N 1 2 307.369 0.759 10 0 DCAELO NC(=O)[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173983441 283315247 /nfs/dbraw/zinc/31/52/47/283315247.db2.gz ATZVUVQQECVYIT-LSDHHAIUSA-N 1 2 307.369 0.759 10 0 DCAELO NC(=O)[C@@H](c1ccc(F)cc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173983441 283315248 /nfs/dbraw/zinc/31/52/48/283315248.db2.gz ATZVUVQQECVYIT-LSDHHAIUSA-N 1 2 307.369 0.759 10 0 DCAELO C[C@H]1COC[C@H](C)[NH+]1CC(=O)N1CCN(c2cnccn2)CC1 ZINC000172668764 237148272 /nfs/dbraw/zinc/14/82/72/237148272.db2.gz WIEZFRXVSAALGZ-KBPBESRZSA-N 1 2 319.409 0.234 10 0 DCAELO C[C@H](O)C[NH+]1CCN(C(=O)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000186838670 237324051 /nfs/dbraw/zinc/32/40/51/237324051.db2.gz DVNMTDMDQYMENI-NSHDSACASA-N 1 2 316.361 0.062 10 0 DCAELO COCCn1ccc(C(=O)NCc2ccc[nH+]c2N(C)C)n1 ZINC000189026129 237386509 /nfs/dbraw/zinc/38/65/09/237386509.db2.gz GGJKULYPEHVAOF-UHFFFAOYSA-N 1 2 303.366 0.921 10 0 DCAELO C[C@@H]1CN(C(=O)c2cc(OC(F)F)n(C)n2)CC[N@@H+]1CCO ZINC000188723062 200294015 /nfs/dbraw/zinc/29/40/15/200294015.db2.gz QLFZIWKZCGZINA-SECBINFHSA-N 1 2 318.324 0.160 10 0 DCAELO C[C@@H]1CN(C(=O)c2cc(OC(F)F)n(C)n2)CC[N@H+]1CCO ZINC000188723062 200294016 /nfs/dbraw/zinc/29/40/16/200294016.db2.gz QLFZIWKZCGZINA-SECBINFHSA-N 1 2 318.324 0.160 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)c2cc(F)ccc2F)CC[N@@H+]1CCO ZINC000188720929 200294047 /nfs/dbraw/zinc/29/40/47/200294047.db2.gz PQIDRRYAMRGRAT-SNVBAGLBSA-N 1 2 320.361 0.652 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)c2cc(F)ccc2F)CC[N@H+]1CCO ZINC000188720929 200294048 /nfs/dbraw/zinc/29/40/48/200294048.db2.gz PQIDRRYAMRGRAT-SNVBAGLBSA-N 1 2 320.361 0.652 10 0 DCAELO CN(CCCO)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000441635731 240530810 /nfs/dbraw/zinc/53/08/10/240530810.db2.gz MPBFYSBURVXFIF-UHFFFAOYSA-N 1 2 311.386 0.061 10 0 DCAELO CCOC(=O)CCCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000573116864 291612342 /nfs/dbraw/zinc/61/23/42/291612342.db2.gz DDVLRCCJGOTQJO-UHFFFAOYSA-N 1 2 318.333 0.732 10 0 DCAELO COC[C@@H]1C[C@H](OC)C[N@@H+]1Cc1cn(Cc2cccnc2)nn1 ZINC000343837523 253709424 /nfs/dbraw/zinc/70/94/24/253709424.db2.gz UKANQRCIZCAHEG-HOTGVXAUSA-N 1 2 317.393 0.957 10 0 DCAELO COC[C@@H]1C[C@H](OC)C[N@H+]1Cc1cn(Cc2cccnc2)nn1 ZINC000343837523 253709426 /nfs/dbraw/zinc/70/94/26/253709426.db2.gz UKANQRCIZCAHEG-HOTGVXAUSA-N 1 2 317.393 0.957 10 0 DCAELO CC(=O)[C@](C)(O)C[NH+]1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000347704386 254180636 /nfs/dbraw/zinc/18/06/36/254180636.db2.gz IIRUNHCXCQFKNS-QGZVFWFLSA-N 1 2 319.405 0.583 10 0 DCAELO Cc1noc(C)c1CN1CC2(C1)C[N@H+](C)[C@@H](C(=O)N(C)C)CO2 ZINC000248027652 257111430 /nfs/dbraw/zinc/11/14/30/257111430.db2.gz SLTRYKHWFWRUOR-CQSZACIVSA-N 1 2 322.409 0.265 10 0 DCAELO Cc1noc(C)c1CN1CC2(C1)C[N@@H+](C)[C@@H](C(=O)N(C)C)CO2 ZINC000248027652 257111432 /nfs/dbraw/zinc/11/14/32/257111432.db2.gz SLTRYKHWFWRUOR-CQSZACIVSA-N 1 2 322.409 0.265 10 0 DCAELO O=C([C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)O1)N1CCOCC1 ZINC000247756928 257118212 /nfs/dbraw/zinc/11/82/12/257118212.db2.gz DUQKHAPVXHXTJJ-UPJWGTAASA-N 1 2 323.418 0.734 10 0 DCAELO O=C([C@@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)O1)N1CCOCC1 ZINC000247756928 257118213 /nfs/dbraw/zinc/11/82/13/257118213.db2.gz DUQKHAPVXHXTJJ-UPJWGTAASA-N 1 2 323.418 0.734 10 0 DCAELO C[C@@H](O)C1CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000172576184 533580801 /nfs/dbraw/zinc/58/08/01/533580801.db2.gz YHXSTTFRCCEFHP-CYBMUJFWSA-N 1 2 313.442 0.900 10 0 DCAELO C[C@@H](O)C1CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000172576184 533580804 /nfs/dbraw/zinc/58/08/04/533580804.db2.gz YHXSTTFRCCEFHP-CYBMUJFWSA-N 1 2 313.442 0.900 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCCCn3cccn3)C[C@H]21 ZINC000284189391 131057606 /nfs/dbraw/zinc/05/76/06/131057606.db2.gz YDWNYWZRXDIBFC-ZIAGYGMSSA-N 1 2 307.398 0.388 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCCCn3cccn3)C[C@H]21 ZINC000284189391 131057609 /nfs/dbraw/zinc/05/76/09/131057609.db2.gz YDWNYWZRXDIBFC-ZIAGYGMSSA-N 1 2 307.398 0.388 10 0 DCAELO Cn1cc(CCCNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)cn1 ZINC000285436226 131168597 /nfs/dbraw/zinc/16/85/97/131168597.db2.gz OCROZBVIKAFDJX-GJZGRUSLSA-N 1 2 321.425 0.467 10 0 DCAELO Cn1cc(CCCNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)cn1 ZINC000285436226 131168599 /nfs/dbraw/zinc/16/85/99/131168599.db2.gz OCROZBVIKAFDJX-GJZGRUSLSA-N 1 2 321.425 0.467 10 0 DCAELO COc1cccc([C@H](O)C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000164221311 132132938 /nfs/dbraw/zinc/13/29/38/132132938.db2.gz OQSWSYSSBCLSHG-HOTGVXAUSA-N 1 2 320.389 0.708 10 0 DCAELO COc1cccc([C@H](O)C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000164221311 132132940 /nfs/dbraw/zinc/13/29/40/132132940.db2.gz OQSWSYSSBCLSHG-HOTGVXAUSA-N 1 2 320.389 0.708 10 0 DCAELO CNC(=O)NCC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000089573494 395713348 /nfs/dbraw/zinc/71/33/48/395713348.db2.gz WAKSHUDKEMDDTE-NSHDSACASA-N 1 2 301.350 0.979 10 0 DCAELO C[C@@H](CNC(=O)CNC(=O)c1cccc(F)c1)[NH+]1CCOCC1 ZINC000097251536 395756549 /nfs/dbraw/zinc/75/65/49/395756549.db2.gz HSCUWBCIIYCUGX-LBPRGKRZSA-N 1 2 323.368 0.392 10 0 DCAELO C[C@H](CNC(=O)NC[C@@H](O)Cc1ccccc1)[NH+]1CCOCC1 ZINC000103853790 395775435 /nfs/dbraw/zinc/77/54/35/395775435.db2.gz QUKBHRDNSFDYTA-ZBFHGGJFSA-N 1 2 321.421 0.610 10 0 DCAELO CCCn1nccc1NC(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000194769483 395807598 /nfs/dbraw/zinc/80/75/98/395807598.db2.gz WKOOXTBYCXTOCC-GFCCVEGCSA-N 1 2 311.386 0.108 10 0 DCAELO CC[C@@H](C)NC(=O)C[NH+]1CCN(Cc2nnc(C)n2CC)CC1 ZINC000195058917 395815407 /nfs/dbraw/zinc/81/54/07/395815407.db2.gz ZWUYDOADZWIHKO-CYBMUJFWSA-N 1 2 322.457 0.639 10 0 DCAELO CCCCCN(CCO)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000112438803 395817867 /nfs/dbraw/zinc/81/78/67/395817867.db2.gz PJPIMPOQIOLAPT-AWEZNQCLSA-N 1 2 301.431 0.901 10 0 DCAELO C[C@@H](CNC(=O)N1CC[C@H](c2cnn(C)c2)C1)[NH+]1CCOCC1 ZINC000116418323 395844079 /nfs/dbraw/zinc/84/40/79/395844079.db2.gz JPFPHKMQJVPMLW-KBPBESRZSA-N 1 2 321.425 0.640 10 0 DCAELO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116419332 395844106 /nfs/dbraw/zinc/84/41/06/395844106.db2.gz BCGHZWXRGVFGST-KBPBESRZSA-N 1 2 321.425 0.640 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)CCNC(=O)c2cccs2)C1 ZINC000194629901 395802171 /nfs/dbraw/zinc/80/21/71/395802171.db2.gz IYGHDTVJFHWLGT-LLVKDONJSA-N 1 2 311.407 0.315 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)CCNC(=O)c2cccs2)C1 ZINC000194629901 395802173 /nfs/dbraw/zinc/80/21/73/395802173.db2.gz IYGHDTVJFHWLGT-LLVKDONJSA-N 1 2 311.407 0.315 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)CCc2nc(-c3ccco3)no2)C1 ZINC000194619438 395802327 /nfs/dbraw/zinc/80/23/27/395802327.db2.gz FMEPANGQTJQJLB-NSHDSACASA-N 1 2 320.349 0.709 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)CCc2nc(-c3ccco3)no2)C1 ZINC000194619438 395802330 /nfs/dbraw/zinc/80/23/30/395802330.db2.gz FMEPANGQTJQJLB-NSHDSACASA-N 1 2 320.349 0.709 10 0 DCAELO COC(=O)[C@@H]1C[N@H+](CC(=O)N(C(C)C)C(C)C)C[C@@H](C)O1 ZINC000123240012 395892988 /nfs/dbraw/zinc/89/29/88/395892988.db2.gz YNJFLAQHOYKNJM-OLZOCXBDSA-N 1 2 300.399 0.894 10 0 DCAELO COC(=O)[C@@H]1C[N@@H+](CC(=O)N(C(C)C)C(C)C)C[C@@H](C)O1 ZINC000123240012 395892991 /nfs/dbraw/zinc/89/29/91/395892991.db2.gz YNJFLAQHOYKNJM-OLZOCXBDSA-N 1 2 300.399 0.894 10 0 DCAELO NC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C3CC3)CC2)c1 ZINC000126351845 395912469 /nfs/dbraw/zinc/91/24/69/395912469.db2.gz XJEIKHWJYXMUSC-UHFFFAOYSA-N 1 2 309.391 0.254 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2cccc3[nH]ccc32)C1 ZINC000126403159 395912615 /nfs/dbraw/zinc/91/26/15/395912615.db2.gz XVQBWQBUBIUOSX-NSHDSACASA-N 1 2 316.361 0.553 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2cccc3[nH]ccc32)C1 ZINC000126403159 395912617 /nfs/dbraw/zinc/91/26/17/395912617.db2.gz XVQBWQBUBIUOSX-NSHDSACASA-N 1 2 316.361 0.553 10 0 DCAELO O=C(NC1CCCC1)c1ccc(NCC[NH+]2CCOCC2)nn1 ZINC000244278804 395925275 /nfs/dbraw/zinc/92/52/75/395925275.db2.gz WSVVNPRUIOMOHP-UHFFFAOYSA-N 1 2 319.409 0.893 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)c2cccc(-n3cccn3)n2)C1 ZINC000135422097 395940199 /nfs/dbraw/zinc/94/01/99/395940199.db2.gz LODUHOSCMDNZOQ-GFCCVEGCSA-N 1 2 301.350 0.328 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)c2cccc(-n3cccn3)n2)C1 ZINC000135422097 395940203 /nfs/dbraw/zinc/94/02/03/395940203.db2.gz LODUHOSCMDNZOQ-GFCCVEGCSA-N 1 2 301.350 0.328 10 0 DCAELO CN(C[C@H]1CCCO1)c1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000274372715 395943009 /nfs/dbraw/zinc/94/30/09/395943009.db2.gz QOTXZNVCVCKQQB-GFCCVEGCSA-N 1 2 305.382 0.370 10 0 DCAELO CN(C[C@H]1CCCO1)c1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000274372715 395943012 /nfs/dbraw/zinc/94/30/12/395943012.db2.gz QOTXZNVCVCKQQB-GFCCVEGCSA-N 1 2 305.382 0.370 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)N2CCO[C@@H](c3ccco3)C2)C1 ZINC000247100355 395967048 /nfs/dbraw/zinc/96/70/48/395967048.db2.gz ZGSUMHWPXXIIBB-TZMCWYRMSA-N 1 2 309.366 0.693 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)N2CCO[C@@H](c3ccco3)C2)C1 ZINC000247100355 395967050 /nfs/dbraw/zinc/96/70/50/395967050.db2.gz ZGSUMHWPXXIIBB-TZMCWYRMSA-N 1 2 309.366 0.693 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)Nc2ccc(C(N)=O)c(F)c2)C1 ZINC000150858101 395973945 /nfs/dbraw/zinc/97/39/45/395973945.db2.gz POFYNNMIVOGWQX-SNVBAGLBSA-N 1 2 310.329 0.377 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)Nc2ccc(C(N)=O)c(F)c2)C1 ZINC000150858101 395973949 /nfs/dbraw/zinc/97/39/49/395973949.db2.gz POFYNNMIVOGWQX-SNVBAGLBSA-N 1 2 310.329 0.377 10 0 DCAELO CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2nccc(OC)n2)CC1 ZINC000064248327 395985240 /nfs/dbraw/zinc/98/52/40/395985240.db2.gz WLIDLURNPWNGGU-OLZOCXBDSA-N 1 2 321.425 0.910 10 0 DCAELO C[C@@H]1OCC[C@@H]1S(=O)(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000248482028 395989146 /nfs/dbraw/zinc/98/91/46/395989146.db2.gz SYTRLMNEIKDMNB-LOWVWBTDSA-N 1 2 302.396 0.979 10 0 DCAELO Cc1ccc(OCC(=O)NC[C@@H](O)C[NH+]2CCOCC2)c(C)c1 ZINC000154139299 396032255 /nfs/dbraw/zinc/03/22/55/396032255.db2.gz IQUPSKSBWCIHQH-OAHLLOKOSA-N 1 2 322.405 0.492 10 0 DCAELO Cc1ccc(SCC(=O)NC[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000154144521 396033025 /nfs/dbraw/zinc/03/30/25/396033025.db2.gz WHSZACULQNZVKP-CQSZACIVSA-N 1 2 324.446 0.896 10 0 DCAELO CCn1cc(C(=O)C(=O)NCCCC[NH+]2CCOCC2)cn1 ZINC000154211192 396034571 /nfs/dbraw/zinc/03/45/71/396034571.db2.gz GUQKYBWYYHPUEQ-UHFFFAOYSA-N 1 2 308.382 0.314 10 0 DCAELO CCn1cnc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2cccnc2)c1 ZINC000261683222 396056236 /nfs/dbraw/zinc/05/62/36/396056236.db2.gz KDLGXNKJJVAVRH-ZDUSSCGKSA-N 1 2 321.406 0.633 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNS(=O)(=O)Cc2ccc(Cl)nc2)C1 ZINC000171094480 396106488 /nfs/dbraw/zinc/10/64/88/396106488.db2.gz FBAXHKOEBRNVAW-NSHDSACASA-N 1 2 319.814 0.485 10 0 DCAELO C[N@H+]1CCO[C@@H](CNS(=O)(=O)Cc2ccc(Cl)nc2)C1 ZINC000171094480 396106490 /nfs/dbraw/zinc/10/64/90/396106490.db2.gz FBAXHKOEBRNVAW-NSHDSACASA-N 1 2 319.814 0.485 10 0 DCAELO O=C(COC[C@H]1CCOC1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000174488244 396138656 /nfs/dbraw/zinc/13/86/56/396138656.db2.gz MZBFWQTVSOBBHA-LSDHHAIUSA-N 1 2 312.410 0.363 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)NCCOCc2ccccc2)C1 ZINC000177486481 396177513 /nfs/dbraw/zinc/17/75/13/396177513.db2.gz VVEXHAZVRFQVDP-OAHLLOKOSA-N 1 2 307.394 0.833 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)NCCOCc2ccccc2)C1 ZINC000177486481 396177514 /nfs/dbraw/zinc/17/75/14/396177514.db2.gz VVEXHAZVRFQVDP-OAHLLOKOSA-N 1 2 307.394 0.833 10 0 DCAELO COCC(=O)N[C@H]1C[C@@H](CO)[N@H+](Cc2cc(F)ccc2F)C1 ZINC000075403550 396180167 /nfs/dbraw/zinc/18/01/67/396180167.db2.gz LSAMBMVUMNPJLN-STQMWFEESA-N 1 2 314.332 0.663 10 0 DCAELO COCC(=O)N[C@H]1C[C@@H](CO)[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000075403550 396180171 /nfs/dbraw/zinc/18/01/71/396180171.db2.gz LSAMBMVUMNPJLN-STQMWFEESA-N 1 2 314.332 0.663 10 0 DCAELO O=C(CNC(=O)[C@H]1CC(F)(F)C[NH2+]1)NCCc1ccccc1 ZINC000262905163 396190979 /nfs/dbraw/zinc/19/09/79/396190979.db2.gz FBJRCJPWQWCTDJ-GFCCVEGCSA-N 1 2 311.332 0.459 10 0 DCAELO Cc1cc(NC(=O)CN(C)C(=O)[C@@H]2CC(F)(F)C[NH2+]2)no1 ZINC000262941341 396192820 /nfs/dbraw/zinc/19/28/20/396192820.db2.gz IVBHCSNJHUXYPE-QMMMGPOBSA-N 1 2 302.281 0.377 10 0 DCAELO Cc1[nH+]c2ccccc2n1CC(=O)N[C@H]1CCC(=O)NC1=O ZINC000178565031 396199170 /nfs/dbraw/zinc/19/91/70/396199170.db2.gz FVJYODDVKFBHNZ-NSHDSACASA-N 1 2 300.318 0.266 10 0 DCAELO Cc1cc(CN2CCN(C(=O)[C@H]3CC(F)(F)C[NH2+]3)CC2)no1 ZINC000263049350 396199258 /nfs/dbraw/zinc/19/92/58/396199258.db2.gz UJOGVIGTNZZOOR-GFCCVEGCSA-N 1 2 314.336 0.624 10 0 DCAELO O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263097204 396201426 /nfs/dbraw/zinc/20/14/26/396201426.db2.gz YZKFVUPVUKLFDP-DTWKUNHWSA-N 1 2 315.286 0.984 10 0 DCAELO C[C@@H]([NH2+]Cc1nc(N)nc(N)n1)c1ccc(-n2ccnn2)cc1 ZINC000182027678 396246121 /nfs/dbraw/zinc/24/61/21/396246121.db2.gz YSIDQRBFOZOIHE-SECBINFHSA-N 1 2 311.353 0.468 10 0 DCAELO C[C@@H]1CN(C(=O)c2cccc3n[nH]nc32)C[C@H]1[NH+]1CCOCC1 ZINC000182787991 396254158 /nfs/dbraw/zinc/25/41/58/396254158.db2.gz FWZSHVKZRUPCBM-BXUZGUMPSA-N 1 2 315.377 0.751 10 0 DCAELO C[C@@H]1CN(C(=O)c2cccc3nn[nH]c32)C[C@H]1[NH+]1CCOCC1 ZINC000182787991 396254160 /nfs/dbraw/zinc/25/41/60/396254160.db2.gz FWZSHVKZRUPCBM-BXUZGUMPSA-N 1 2 315.377 0.751 10 0 DCAELO CC(=O)N[C@@H]1CCCN(C(=O)NC[C@H](C)[NH+]2CCOCC2)C1 ZINC000079252483 396263270 /nfs/dbraw/zinc/26/32/70/396263270.db2.gz MTSZUQTUYUGBNS-GXTWGEPZSA-N 1 2 312.414 0.017 10 0 DCAELO COC(=O)c1coc(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c1 ZINC000183813048 396275988 /nfs/dbraw/zinc/27/59/88/396275988.db2.gz SQERVVZDQRYCNS-AAEUAGOBSA-N 1 2 322.361 0.859 10 0 DCAELO COC(=O)c1coc(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000183813030 396276113 /nfs/dbraw/zinc/27/61/13/396276113.db2.gz SQERVVZDQRYCNS-YPMHNXCESA-N 1 2 322.361 0.859 10 0 DCAELO COc1ccccc1C(=O)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000183881705 396276691 /nfs/dbraw/zinc/27/66/91/396276691.db2.gz JPTXIXZLAGLBIT-ZDUSSCGKSA-N 1 2 318.373 0.857 10 0 DCAELO COc1ccccc1C(=O)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000183881705 396276692 /nfs/dbraw/zinc/27/66/92/396276692.db2.gz JPTXIXZLAGLBIT-ZDUSSCGKSA-N 1 2 318.373 0.857 10 0 DCAELO CC[N@H+](CC(=O)[O-])C1CC(Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC000263557184 396220838 /nfs/dbraw/zinc/22/08/38/396220838.db2.gz PCZPIWJKNGOCSI-UHFFFAOYSA-N 1 2 308.386 0.595 10 0 DCAELO CC[N@@H+](CC(=O)[O-])C1CC(Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC000263557184 396220839 /nfs/dbraw/zinc/22/08/39/396220839.db2.gz PCZPIWJKNGOCSI-UHFFFAOYSA-N 1 2 308.386 0.595 10 0 DCAELO CC[N@H+](CC(=O)[O-])C1CC(Nc2nc(C)[nH+]c(N(C)C)n2)C1 ZINC000263557184 396220841 /nfs/dbraw/zinc/22/08/41/396220841.db2.gz PCZPIWJKNGOCSI-UHFFFAOYSA-N 1 2 308.386 0.595 10 0 DCAELO CC[N@@H+](CC(=O)[O-])C1CC(Nc2nc(C)[nH+]c(N(C)C)n2)C1 ZINC000263557184 396220842 /nfs/dbraw/zinc/22/08/42/396220842.db2.gz PCZPIWJKNGOCSI-UHFFFAOYSA-N 1 2 308.386 0.595 10 0 DCAELO CC[C@@H](CO)[NH+]1CCN(C(=O)c2cccc3n[nH]nc32)CC1 ZINC000180180642 396232036 /nfs/dbraw/zinc/23/20/36/396232036.db2.gz GCCGWQBFTOINIZ-NSHDSACASA-N 1 2 303.366 0.487 10 0 DCAELO CC[C@@H](CO)[NH+]1CCN(C(=O)c2cccc3nn[nH]c32)CC1 ZINC000180180642 396232039 /nfs/dbraw/zinc/23/20/39/396232039.db2.gz GCCGWQBFTOINIZ-NSHDSACASA-N 1 2 303.366 0.487 10 0 DCAELO CCCCOCCNC(=O)C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185198461 396321114 /nfs/dbraw/zinc/32/11/14/396321114.db2.gz ZFTZTITWRHDMPV-OAHLLOKOSA-N 1 2 300.399 0.411 10 0 DCAELO CCCCOCCNC(=O)C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185198461 396321117 /nfs/dbraw/zinc/32/11/17/396321117.db2.gz ZFTZTITWRHDMPV-OAHLLOKOSA-N 1 2 300.399 0.411 10 0 DCAELO CC[C@H](C)NC(=O)C[NH+]1CCN(C[C@H](O)C(F)(F)F)CC1 ZINC000185159312 396320167 /nfs/dbraw/zinc/32/01/67/396320167.db2.gz ZJCLCDCIDMJXPY-QWRGUYRKSA-N 1 2 311.348 0.442 10 0 DCAELO CC[C@H](C)NC(=O)CN1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000185159312 396320168 /nfs/dbraw/zinc/32/01/68/396320168.db2.gz ZJCLCDCIDMJXPY-QWRGUYRKSA-N 1 2 311.348 0.442 10 0 DCAELO CNC(=O)NC(=O)C[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000185452584 396328155 /nfs/dbraw/zinc/32/81/55/396328155.db2.gz QSVWLUHMUUOVJM-JTQLQIEISA-N 1 2 302.338 0.374 10 0 DCAELO CC(C)CCOCCNC(=O)C[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185884957 396336421 /nfs/dbraw/zinc/33/64/21/396336421.db2.gz NAHNVNPJRSZPOD-INIZCTEOSA-N 1 2 313.442 0.895 10 0 DCAELO CC(C)CCOCCNC(=O)C[N@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185884957 396336423 /nfs/dbraw/zinc/33/64/23/396336423.db2.gz NAHNVNPJRSZPOD-INIZCTEOSA-N 1 2 313.442 0.895 10 0 DCAELO C[C@@]1(C(N)=O)CCCC[N@@H+]1CC(=O)NC(=O)NCC(F)(F)F ZINC000185920420 396337146 /nfs/dbraw/zinc/33/71/46/396337146.db2.gz IKJALASJYRBGDS-NSHDSACASA-N 1 2 324.303 0.104 10 0 DCAELO C[C@@]1(C(N)=O)CCCC[N@H+]1CC(=O)NC(=O)NCC(F)(F)F ZINC000185920420 396337147 /nfs/dbraw/zinc/33/71/47/396337147.db2.gz IKJALASJYRBGDS-NSHDSACASA-N 1 2 324.303 0.104 10 0 DCAELO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(N)cc2)C[C@@H]1C ZINC000186079743 396340520 /nfs/dbraw/zinc/34/05/20/396340520.db2.gz WYOHYKWYLRFNLO-NWDGAFQWSA-N 1 2 313.423 0.344 10 0 DCAELO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(N)cc2)C[C@@H]1C ZINC000186079743 396340524 /nfs/dbraw/zinc/34/05/24/396340524.db2.gz WYOHYKWYLRFNLO-NWDGAFQWSA-N 1 2 313.423 0.344 10 0 DCAELO CCc1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc1F ZINC000186294364 396346611 /nfs/dbraw/zinc/34/66/11/396346611.db2.gz BUNPMGKJFDWELF-UHFFFAOYSA-N 1 2 323.368 0.463 10 0 DCAELO CC1(C)C[N@H+](CCNC(=O)N2CC(NC(=O)C3CC3)C2)CCO1 ZINC000186748020 396356899 /nfs/dbraw/zinc/35/68/99/396356899.db2.gz ZZXIRGSQFAMXRL-UHFFFAOYSA-N 1 2 324.425 0.017 10 0 DCAELO CC1(C)C[N@@H+](CCNC(=O)N2CC(NC(=O)C3CC3)C2)CCO1 ZINC000186748020 396356902 /nfs/dbraw/zinc/35/69/02/396356902.db2.gz ZZXIRGSQFAMXRL-UHFFFAOYSA-N 1 2 324.425 0.017 10 0 DCAELO O=C(CN1CCCC1=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186390961 396349340 /nfs/dbraw/zinc/34/93/40/396349340.db2.gz DJURWKOSYJCZRW-UHFFFAOYSA-N 1 2 302.378 0.743 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(N)=O)cc3)C[C@H]21 ZINC000286208148 396380989 /nfs/dbraw/zinc/38/09/89/396380989.db2.gz BYBZSMZLXIZBJU-KGLIPLIRSA-N 1 2 303.362 0.331 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(N)=O)cc3)C[C@H]21 ZINC000286208148 396380992 /nfs/dbraw/zinc/38/09/92/396380992.db2.gz BYBZSMZLXIZBJU-KGLIPLIRSA-N 1 2 303.362 0.331 10 0 DCAELO C[C@@H]1CN(C(=O)c2n[nH]c3c2CCCCC3)CC[N@@H+]1CCO ZINC000188756669 396385802 /nfs/dbraw/zinc/38/58/02/396385802.db2.gz IDLOULGGJUYNBI-GFCCVEGCSA-N 1 2 306.410 0.817 10 0 DCAELO C[C@@H]1CN(C(=O)c2n[nH]c3c2CCCCC3)CC[N@H+]1CCO ZINC000188756669 396385804 /nfs/dbraw/zinc/38/58/04/396385804.db2.gz IDLOULGGJUYNBI-GFCCVEGCSA-N 1 2 306.410 0.817 10 0 DCAELO Cc1cccn2c(=O)cc(C[N@@H+]3CCCNC(=O)[C@H]3C)nc12 ZINC000189317259 396393171 /nfs/dbraw/zinc/39/31/71/396393171.db2.gz DDWGMALISWPMTR-GFCCVEGCSA-N 1 2 300.362 0.713 10 0 DCAELO Cc1cccn2c(=O)cc(C[N@H+]3CCCNC(=O)[C@H]3C)nc12 ZINC000189317259 396393173 /nfs/dbraw/zinc/39/31/73/396393173.db2.gz DDWGMALISWPMTR-GFCCVEGCSA-N 1 2 300.362 0.713 10 0 DCAELO CCNC(=O)C[N@@H+]1CCCN(C(=O)N(C)CCCOC)CC1 ZINC000190525673 396407212 /nfs/dbraw/zinc/40/72/12/396407212.db2.gz YREBULOANGGICO-UHFFFAOYSA-N 1 2 314.430 0.219 10 0 DCAELO CCNC(=O)C[N@H+]1CCCN(C(=O)N(C)CCCOC)CC1 ZINC000190525673 396407214 /nfs/dbraw/zinc/40/72/14/396407214.db2.gz YREBULOANGGICO-UHFFFAOYSA-N 1 2 314.430 0.219 10 0 DCAELO CN(Cc1ccc(F)cc1)C(=O)C[N@@H+]1CCCN(C)C(=O)C1 ZINC000191157514 396415720 /nfs/dbraw/zinc/41/57/20/396415720.db2.gz HTOZEBOJKUYWAI-UHFFFAOYSA-N 1 2 307.369 0.948 10 0 DCAELO CN(Cc1ccc(F)cc1)C(=O)C[N@H+]1CCCN(C)C(=O)C1 ZINC000191157514 396415722 /nfs/dbraw/zinc/41/57/22/396415722.db2.gz HTOZEBOJKUYWAI-UHFFFAOYSA-N 1 2 307.369 0.948 10 0 DCAELO O=C([C@@H]1OC[C@@H]2COCC[C@@H]12)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000290478912 396466646 /nfs/dbraw/zinc/46/66/46/396466646.db2.gz VGKDDIZQHSOMAM-BYNSBNAKSA-N 1 2 305.378 0.926 10 0 DCAELO Cc1ccccc1CN(C)C(=O)C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000371834593 396478263 /nfs/dbraw/zinc/47/82/63/396478263.db2.gz LMHKJBSLMWPEQB-QGZVFWFLSA-N 1 2 317.433 0.970 10 0 DCAELO Cc1ccccc1CN(C)C(=O)C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000371834593 396478264 /nfs/dbraw/zinc/47/82/64/396478264.db2.gz LMHKJBSLMWPEQB-QGZVFWFLSA-N 1 2 317.433 0.970 10 0 DCAELO C[C@H](C[N@@H+]1C[C@H](C)O[C@]2(CCCOC2)C1)CS(C)(=O)=O ZINC000373802664 396615420 /nfs/dbraw/zinc/61/54/20/396615420.db2.gz AKANGCALVYWLGG-HZSPNIEDSA-N 1 2 305.440 0.937 10 0 DCAELO C[C@H](C[N@H+]1C[C@H](C)O[C@]2(CCCOC2)C1)CS(C)(=O)=O ZINC000373802664 396615424 /nfs/dbraw/zinc/61/54/24/396615424.db2.gz AKANGCALVYWLGG-HZSPNIEDSA-N 1 2 305.440 0.937 10 0 DCAELO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccc(F)cc1)NC(=O)NC1CC1 ZINC000611137877 396822858 /nfs/dbraw/zinc/82/28/58/396822858.db2.gz CWHHQLFGFXRLGE-UONOGXRCSA-N 1 2 321.352 0.922 10 0 DCAELO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1c1ccc(F)cc1)NC(=O)NC1CC1 ZINC000611137877 396822863 /nfs/dbraw/zinc/82/28/63/396822863.db2.gz CWHHQLFGFXRLGE-UONOGXRCSA-N 1 2 321.352 0.922 10 0 DCAELO CN1CCN(S(=O)(=O)c2cccnc2)C[C@H]1c1[nH]cc[nH+]1 ZINC000328620892 396824248 /nfs/dbraw/zinc/82/42/48/396824248.db2.gz HJAJJBKYDNKZHR-LBPRGKRZSA-N 1 2 307.379 0.482 10 0 DCAELO CO[C@@H]1C[C@H](NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)C1(C)C ZINC000332751350 396891885 /nfs/dbraw/zinc/89/18/85/396891885.db2.gz CEEXINUMSGAFOJ-RFQIPJPRSA-N 1 2 311.426 0.914 10 0 DCAELO CO[C@@H]1C[C@H](NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)C1(C)C ZINC000332751350 396891890 /nfs/dbraw/zinc/89/18/90/396891890.db2.gz CEEXINUMSGAFOJ-RFQIPJPRSA-N 1 2 311.426 0.914 10 0 DCAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000377213868 397048824 /nfs/dbraw/zinc/04/88/24/397048824.db2.gz JPDNWFXANSGTTE-MCIONIFRSA-N 1 2 309.410 0.224 10 0 DCAELO CCCC[N@H+]1CCOC[C@H]1C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000377213868 397048829 /nfs/dbraw/zinc/04/88/29/397048829.db2.gz JPDNWFXANSGTTE-MCIONIFRSA-N 1 2 309.410 0.224 10 0 DCAELO C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000377908942 397162505 /nfs/dbraw/zinc/16/25/05/397162505.db2.gz IBZZNBUWMHZIIH-HLTSFMKQSA-N 1 2 309.288 0.626 10 0 DCAELO C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000377908942 397162510 /nfs/dbraw/zinc/16/25/10/397162510.db2.gz IBZZNBUWMHZIIH-HLTSFMKQSA-N 1 2 309.288 0.626 10 0 DCAELO C[C@H]1C[N@H+](CCO)CCN1c1ncncc1Br ZINC000572931133 397112604 /nfs/dbraw/zinc/11/26/04/397112604.db2.gz RYKVPSNVJHGWKC-VIFPVBQESA-N 1 2 301.188 0.742 10 0 DCAELO C[C@H]1C[N@@H+](CCO)CCN1c1ncncc1Br ZINC000572931133 397112607 /nfs/dbraw/zinc/11/26/07/397112607.db2.gz RYKVPSNVJHGWKC-VIFPVBQESA-N 1 2 301.188 0.742 10 0 DCAELO C[C@H](C(=O)N1CCCCC1)[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000408449981 298012804 /nfs/dbraw/zinc/01/28/04/298012804.db2.gz CONXRNQFAPKVRB-OLZOCXBDSA-N 1 2 302.440 0.754 10 0 DCAELO C[C@H](C(=O)N1CCCCC1)[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000408449981 298012807 /nfs/dbraw/zinc/01/28/07/298012807.db2.gz CONXRNQFAPKVRB-OLZOCXBDSA-N 1 2 302.440 0.754 10 0 DCAELO Cc1cccc(C)c1OCCNC(=O)C[N@@H+]1CCNC(=O)CC1 ZINC000065954874 158034566 /nfs/dbraw/zinc/03/45/66/158034566.db2.gz DVWUEKPCGSPJHH-UHFFFAOYSA-N 1 2 319.405 0.620 10 0 DCAELO Cc1cccc(C)c1OCCNC(=O)C[N@H+]1CCNC(=O)CC1 ZINC000065954874 158034569 /nfs/dbraw/zinc/03/45/69/158034569.db2.gz DVWUEKPCGSPJHH-UHFFFAOYSA-N 1 2 319.405 0.620 10 0 DCAELO CCCNC(=O)CN1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000072702124 158052167 /nfs/dbraw/zinc/05/21/67/158052167.db2.gz KOZWMDIGFAWFNA-AWEZNQCLSA-N 1 2 324.469 0.578 10 0 DCAELO CN(C[C@@H]1CCCO1)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000076322992 158064902 /nfs/dbraw/zinc/06/49/02/158064902.db2.gz ONMOEVNUMRDEMB-HNNXBMFYSA-N 1 2 318.421 0.841 10 0 DCAELO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000078334076 158073196 /nfs/dbraw/zinc/07/31/96/158073196.db2.gz VVIMVBZBKKNTRL-AWEZNQCLSA-N 1 2 324.469 0.530 10 0 DCAELO CCCS(=O)(=O)CC[NH+]1CCC(N2CCO[C@H](C)C2)CC1 ZINC000097153446 158125731 /nfs/dbraw/zinc/12/57/31/158125731.db2.gz ZRTFQFBGPIQPNI-CQSZACIVSA-N 1 2 318.483 0.996 10 0 DCAELO CCCS(=O)(=O)CCN1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000097153446 158125733 /nfs/dbraw/zinc/12/57/33/158125733.db2.gz ZRTFQFBGPIQPNI-CQSZACIVSA-N 1 2 318.483 0.996 10 0 DCAELO CCCS(=O)(=O)CCN1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000097153446 158125736 /nfs/dbraw/zinc/12/57/36/158125736.db2.gz ZRTFQFBGPIQPNI-CQSZACIVSA-N 1 2 318.483 0.996 10 0 DCAELO C[NH+](C)[C@H](CNC(=O)CNC(N)=O)c1c(F)cccc1F ZINC000115715973 158163132 /nfs/dbraw/zinc/16/31/32/158163132.db2.gz BJGPNTURFDDEJS-SNVBAGLBSA-N 1 2 300.309 0.352 10 0 DCAELO CC(C)N(C(=O)C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1)C(C)C ZINC000116890708 158168123 /nfs/dbraw/zinc/16/81/23/158168123.db2.gz MFCCPNGZFVIOGC-LBPRGKRZSA-N 1 2 305.444 0.255 10 0 DCAELO CC(C)N(C(=O)C[N@H+]1CC[C@H](NS(C)(=O)=O)C1)C(C)C ZINC000116890708 158168128 /nfs/dbraw/zinc/16/81/28/158168128.db2.gz MFCCPNGZFVIOGC-LBPRGKRZSA-N 1 2 305.444 0.255 10 0 DCAELO CS(=O)(=O)N[C@@H]1CC[N@H+](CC(=O)NCC2CCCCC2)C1 ZINC000116892419 158168763 /nfs/dbraw/zinc/16/87/63/158168763.db2.gz ZAEBXRMPJRHTOP-CYBMUJFWSA-N 1 2 317.455 0.306 10 0 DCAELO CS(=O)(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC2CCCCC2)C1 ZINC000116892419 158168764 /nfs/dbraw/zinc/16/87/64/158168764.db2.gz ZAEBXRMPJRHTOP-CYBMUJFWSA-N 1 2 317.455 0.306 10 0 DCAELO COc1cccc([C@H](O)C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000119562520 158188676 /nfs/dbraw/zinc/18/86/76/158188676.db2.gz SQBNCUCQKWCIKK-ZBFHGGJFSA-N 1 2 320.389 0.662 10 0 DCAELO C[C@@H](C[NH+]1CCN(c2cnn(C)c2)CC1)CS(C)(=O)=O ZINC000119545660 158189537 /nfs/dbraw/zinc/18/95/37/158189537.db2.gz LJXDVQPAFIXFDG-LBPRGKRZSA-N 1 2 300.428 0.223 10 0 DCAELO O=C(NC[C@H]1CCCS1(=O)=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000124571248 158244055 /nfs/dbraw/zinc/24/40/55/158244055.db2.gz TZZNTWGWEMUNGU-QWHCGFSZSA-N 1 2 313.423 0.219 10 0 DCAELO COC(=O)c1ccc(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)o1 ZINC000126068823 158262159 /nfs/dbraw/zinc/26/21/59/158262159.db2.gz WQJMKSHOROGIGD-NSHDSACASA-N 1 2 308.334 0.659 10 0 DCAELO COC(=O)c1ccc(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)o1 ZINC000126068823 158262160 /nfs/dbraw/zinc/26/21/60/158262160.db2.gz WQJMKSHOROGIGD-NSHDSACASA-N 1 2 308.334 0.659 10 0 DCAELO COc1cccc(CCC(=O)NC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000129039172 158285313 /nfs/dbraw/zinc/28/53/13/158285313.db2.gz YOWWWBBAPLOEJN-OAHLLOKOSA-N 1 2 322.405 0.437 10 0 DCAELO CNC(=O)CCN(C)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000171901530 158387717 /nfs/dbraw/zinc/38/77/17/158387717.db2.gz LHKRIRSYQZAIRS-UHFFFAOYSA-N 1 2 319.409 0.828 10 0 DCAELO COc1cccc(CC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)n1 ZINC000328713840 159023264 /nfs/dbraw/zinc/02/32/64/159023264.db2.gz CUUBJQJBTXUSMQ-OAHLLOKOSA-N 1 2 319.405 0.956 10 0 DCAELO CCCC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000328902132 159038952 /nfs/dbraw/zinc/03/89/52/159038952.db2.gz GGJRYJUPVZUJBT-ILXRZTDVSA-N 1 2 323.437 0.709 10 0 DCAELO CCCC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000328902132 159038955 /nfs/dbraw/zinc/03/89/55/159038955.db2.gz GGJRYJUPVZUJBT-ILXRZTDVSA-N 1 2 323.437 0.709 10 0 DCAELO Cc1nn(C)c(C)c1CCC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000328902328 159039216 /nfs/dbraw/zinc/03/92/16/159039216.db2.gz GMIFDRURNZNTRI-CVEARBPZSA-N 1 2 320.437 0.901 10 0 DCAELO Cc1nn(C)c(C)c1CCC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000328902328 159039217 /nfs/dbraw/zinc/03/92/17/159039217.db2.gz GMIFDRURNZNTRI-CVEARBPZSA-N 1 2 320.437 0.901 10 0 DCAELO C[C@H]1C[C@H](C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CCC1=O ZINC000328986234 159050087 /nfs/dbraw/zinc/05/00/87/159050087.db2.gz ZWXNEVGMIUMFTC-UONOGXRCSA-N 1 2 323.437 0.614 10 0 DCAELO O=c1cc(C[N@@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)nc2ccccn12 ZINC000329155570 159068640 /nfs/dbraw/zinc/06/86/40/159068640.db2.gz CJVWUZPMUOHIAS-WCQYABFASA-N 1 2 319.386 0.313 10 0 DCAELO O=c1cc(C[N@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)nc2ccccn12 ZINC000329155570 159068643 /nfs/dbraw/zinc/06/86/43/159068643.db2.gz CJVWUZPMUOHIAS-WCQYABFASA-N 1 2 319.386 0.313 10 0 DCAELO CC(=O)N1CC[NH+](CCNC(=O)c2ncncc2Cl)CC1 ZINC000329198551 159072403 /nfs/dbraw/zinc/07/24/03/159072403.db2.gz UQIYBWFKBXQGMU-UHFFFAOYSA-N 1 2 311.773 0.024 10 0 DCAELO O=S(=O)([C@@H]1CCCOC1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000329570102 159103183 /nfs/dbraw/zinc/10/31/83/159103183.db2.gz QBXIDEADJFOPHO-UONOGXRCSA-N 1 2 318.439 0.292 10 0 DCAELO COCCCCS(=O)(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000408015780 160012117 /nfs/dbraw/zinc/01/21/17/160012117.db2.gz FKNRNMDBTHLCTB-QWHCGFSZSA-N 1 2 306.428 0.148 10 0 DCAELO COCCCCS(=O)(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000408015780 160012121 /nfs/dbraw/zinc/01/21/21/160012121.db2.gz FKNRNMDBTHLCTB-QWHCGFSZSA-N 1 2 306.428 0.148 10 0 DCAELO CO[C@H](C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1)c1cnn(C)c1 ZINC000408020684 160013542 /nfs/dbraw/zinc/01/35/42/160013542.db2.gz FCLFMHNIUKGWAC-MJBXVCDLSA-N 1 2 308.382 0.039 10 0 DCAELO CO[C@H](C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1)c1cnn(C)c1 ZINC000408020684 160013543 /nfs/dbraw/zinc/01/35/43/160013543.db2.gz FCLFMHNIUKGWAC-MJBXVCDLSA-N 1 2 308.382 0.039 10 0 DCAELO C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)N(C)Cc1[nH+]ccn1C ZINC000408056333 160025253 /nfs/dbraw/zinc/02/52/53/160025253.db2.gz GFGFSIIDNHLDIQ-MNOVXSKESA-N 1 2 302.400 0.206 10 0 DCAELO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000408189820 160056143 /nfs/dbraw/zinc/05/61/43/160056143.db2.gz QJSRJCCTJHHFMK-LDYMZIIASA-N 1 2 311.304 0.610 10 0 DCAELO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000408189820 160056145 /nfs/dbraw/zinc/05/61/45/160056145.db2.gz QJSRJCCTJHHFMK-LDYMZIIASA-N 1 2 311.304 0.610 10 0 DCAELO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2[C@@H](C)C2(F)F)CC1 ZINC000408230178 160064477 /nfs/dbraw/zinc/06/44/77/160064477.db2.gz DAEFEKLBZDPNGV-ZYHUDNBSSA-N 1 2 303.353 0.558 10 0 DCAELO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2[C@@H](C)C2(F)F)CC1 ZINC000408230178 160064479 /nfs/dbraw/zinc/06/44/79/160064479.db2.gz DAEFEKLBZDPNGV-ZYHUDNBSSA-N 1 2 303.353 0.558 10 0 DCAELO CCC1(C(=O)N2CC[NH+]([C@H](C)C(=O)N3CCOCC3)CC2)CC1 ZINC000408360503 160092402 /nfs/dbraw/zinc/09/24/02/160092402.db2.gz VDRXYYMSMQKLCS-CQSZACIVSA-N 1 2 323.437 0.568 10 0 DCAELO Cc1noc([C@H]2C[C@H](O)CN2C(=O)Nc2cc[nH+]c(C)c2)n1 ZINC000408391656 160098377 /nfs/dbraw/zinc/09/83/77/160098377.db2.gz CJBHKLJHQJGBAF-NWDGAFQWSA-N 1 2 303.322 0.843 10 0 DCAELO CNS(=O)(=O)c1cc(C(=O)N2CC[N@H+](C)C[C@@H]2C)c(C)o1 ZINC000408396092 160099643 /nfs/dbraw/zinc/09/96/43/160099643.db2.gz OJNHRCIECUAJRO-VIFPVBQESA-N 1 2 315.395 0.272 10 0 DCAELO CNS(=O)(=O)c1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)c(C)o1 ZINC000408396092 160099645 /nfs/dbraw/zinc/09/96/45/160099645.db2.gz OJNHRCIECUAJRO-VIFPVBQESA-N 1 2 315.395 0.272 10 0 DCAELO Cc1ccncc1S(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000408460711 160113350 /nfs/dbraw/zinc/11/33/50/160113350.db2.gz QOMPORMKAMTZHF-CHWSQXEVSA-N 1 2 313.423 0.466 10 0 DCAELO Cc1ccncc1S(=O)(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000408460711 160113352 /nfs/dbraw/zinc/11/33/52/160113352.db2.gz QOMPORMKAMTZHF-CHWSQXEVSA-N 1 2 313.423 0.466 10 0 DCAELO C[C@@H]1C(=O)NCCC[N@H+]1CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000189320117 287179720 /nfs/dbraw/zinc/17/97/20/287179720.db2.gz KNUMPGKJLQMPJW-RDBSUJKOSA-N 1 2 309.410 0.367 10 0 DCAELO C[C@@H]1C(=O)NCCC[N@@H+]1CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000189320117 287179722 /nfs/dbraw/zinc/17/97/22/287179722.db2.gz KNUMPGKJLQMPJW-RDBSUJKOSA-N 1 2 309.410 0.367 10 0 DCAELO C(c1nnnn1C1CC1)[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000047258538 415268117 /nfs/dbraw/zinc/26/81/17/415268117.db2.gz MXJSTOYJTWSLLG-UHFFFAOYSA-N 1 2 314.397 0.925 10 0 DCAELO CNC(=O)NC(=O)CN1CCC[C@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000276033281 415415794 /nfs/dbraw/zinc/41/57/94/415415794.db2.gz RNDPHGYNMBGILI-LBPRGKRZSA-N 1 2 305.382 0.881 10 0 DCAELO NC(=O)C[NH+]1CCN(Cc2ccn(-c3ccc(F)cc3)n2)CC1 ZINC000075613059 415453022 /nfs/dbraw/zinc/45/30/22/415453022.db2.gz PNPMVNWYLUNXOL-UHFFFAOYSA-N 1 2 317.368 0.614 10 0 DCAELO C[N@@H+]1CCO[C@H]2CN(C(=O)NCc3noc(C4CC4)n3)C[C@H]21 ZINC000332765165 415467149 /nfs/dbraw/zinc/46/71/49/415467149.db2.gz LKROPYZXSQHMEQ-MNOVXSKESA-N 1 2 307.354 0.171 10 0 DCAELO C[N@H+]1CCO[C@H]2CN(C(=O)NCc3noc(C4CC4)n3)C[C@H]21 ZINC000332765165 415467155 /nfs/dbraw/zinc/46/71/55/415467155.db2.gz LKROPYZXSQHMEQ-MNOVXSKESA-N 1 2 307.354 0.171 10 0 DCAELO C[C@H](C[NH+]1CCOCC1)N(C)S(=O)(=O)[C@@H]1CCO[C@H](C)C1 ZINC000333443871 415651665 /nfs/dbraw/zinc/65/16/65/415651665.db2.gz QEQHBJCPTRJNJS-MGPQQGTHSA-N 1 2 320.455 0.536 10 0 DCAELO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)N2CCCCC2)CC1 ZINC000123224725 415840422 /nfs/dbraw/zinc/84/04/22/415840422.db2.gz ACGVBJBPZBPHLX-CYBMUJFWSA-N 1 2 305.444 0.106 10 0 DCAELO CO[C@@H](C)c1nc(C)c(C(=O)N2CC[NH+](CCO)CC2)s1 ZINC000154909274 415991912 /nfs/dbraw/zinc/99/19/12/415991912.db2.gz BQSXOOLDHCLJRO-NSHDSACASA-N 1 2 313.423 0.909 10 0 DCAELO C[C@H](C(=O)NC[C@H](O)C[NH+]1CCOCC1)c1cccc(F)c1 ZINC000132762854 415934779 /nfs/dbraw/zinc/93/47/79/415934779.db2.gz MGEHXTPDYAKMSY-WFASDCNBSA-N 1 2 310.369 0.739 10 0 DCAELO CC(C)[NH+]1CCN(S(=O)(=O)N2C[C@@H](C)OC[C@H]2C)CC1 ZINC000173011892 416050506 /nfs/dbraw/zinc/05/05/06/416050506.db2.gz GGFYVNORYQRIBI-CHWSQXEVSA-N 1 2 305.444 0.366 10 0 DCAELO Cc1noc(C)c1CCNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173840050 416065013 /nfs/dbraw/zinc/06/50/13/416065013.db2.gz GMLVWQPHRVXCHG-AWEZNQCLSA-N 1 2 322.409 0.950 10 0 DCAELO CC(C)NC(=O)CCNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173782986 416065254 /nfs/dbraw/zinc/06/52/54/416065254.db2.gz MFSRIZDJFWPCHR-ZDUSSCGKSA-N 1 2 312.414 0.017 10 0 DCAELO CCOCCO[C@H](C)C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000173867100 416067996 /nfs/dbraw/zinc/06/79/96/416067996.db2.gz GKQMSRSTEXTENJ-RBSFLKMASA-N 1 2 314.426 0.607 10 0 DCAELO CC(=O)N1CCC[C@H]1C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000173869211 416068592 /nfs/dbraw/zinc/06/85/92/416068592.db2.gz GHANPIMNTYKAFI-QEJZJMRPSA-N 1 2 309.410 0.176 10 0 DCAELO O=C(Nc1ccccc1F)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000174009991 416071838 /nfs/dbraw/zinc/07/18/38/416071838.db2.gz YZTWTYISVCKRLX-LBPRGKRZSA-N 1 2 321.352 0.697 10 0 DCAELO O=C(C[NH+]1CCN(c2cccnn2)CC1)NCc1ccccc1 ZINC000170650747 416027858 /nfs/dbraw/zinc/02/78/58/416027858.db2.gz RHNAHFDXZKDBFV-UHFFFAOYSA-N 1 2 311.389 0.915 10 0 DCAELO CC(=O)c1cccc(OC[C@@H](O)C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000338368649 416086716 /nfs/dbraw/zinc/08/67/16/416086716.db2.gz HLCJAODPFPWGKP-BHYGNILZSA-N 1 2 321.373 0.729 10 0 DCAELO CC(=O)c1cccc(OC[C@@H](O)C[N@H+]2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000338368649 416086718 /nfs/dbraw/zinc/08/67/18/416086718.db2.gz HLCJAODPFPWGKP-BHYGNILZSA-N 1 2 321.373 0.729 10 0 DCAELO COCC[N@@H+]1CCN(C(=O)CSc2n[nH]c(C)n2)C[C@@H]1C ZINC000174955239 416092134 /nfs/dbraw/zinc/09/21/34/416092134.db2.gz AGHDXLAJJIUYID-JTQLQIEISA-N 1 2 313.427 0.384 10 0 DCAELO COCC[N@H+]1CCN(C(=O)CSc2n[nH]c(C)n2)C[C@@H]1C ZINC000174955239 416092137 /nfs/dbraw/zinc/09/21/37/416092137.db2.gz AGHDXLAJJIUYID-JTQLQIEISA-N 1 2 313.427 0.384 10 0 DCAELO COCC[N@@H+]1CCN(C(=O)CSc2nnc(C)[nH]2)C[C@@H]1C ZINC000174955239 416092140 /nfs/dbraw/zinc/09/21/40/416092140.db2.gz AGHDXLAJJIUYID-JTQLQIEISA-N 1 2 313.427 0.384 10 0 DCAELO COCC[N@H+]1CCN(C(=O)CSc2nnc(C)[nH]2)C[C@@H]1C ZINC000174955239 416092143 /nfs/dbraw/zinc/09/21/43/416092143.db2.gz AGHDXLAJJIUYID-JTQLQIEISA-N 1 2 313.427 0.384 10 0 DCAELO Cc1cc(N2CC[C@@H]([N@@H+](C)Cc3cnn(C)c3)C2=O)n(C)n1 ZINC000175495001 416107873 /nfs/dbraw/zinc/10/78/73/416107873.db2.gz FJCIPFRPQYSFTL-CYBMUJFWSA-N 1 2 302.382 0.699 10 0 DCAELO Cc1cc(N2CC[C@@H]([N@H+](C)Cc3cnn(C)c3)C2=O)n(C)n1 ZINC000175495001 416107874 /nfs/dbraw/zinc/10/78/74/416107874.db2.gz FJCIPFRPQYSFTL-CYBMUJFWSA-N 1 2 302.382 0.699 10 0 DCAELO NC(=O)c1c[nH]c(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000176606023 416129659 /nfs/dbraw/zinc/12/96/59/416129659.db2.gz IQDFIJVLZCGYOF-ZDUSSCGKSA-N 1 2 320.393 0.441 10 0 DCAELO CC(C)N(C)S(=O)(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000176992616 416137843 /nfs/dbraw/zinc/13/78/43/416137843.db2.gz GWMBQGIHHXDEJA-STQMWFEESA-N 1 2 305.444 0.224 10 0 DCAELO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1nnnn1C(C)(C)C ZINC000329091848 416150304 /nfs/dbraw/zinc/15/03/04/416150304.db2.gz XBNKWYGFJXCCDB-OLZOCXBDSA-N 1 2 308.430 0.723 10 0 DCAELO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1nnnn1C(C)(C)C ZINC000329091848 416150307 /nfs/dbraw/zinc/15/03/07/416150307.db2.gz XBNKWYGFJXCCDB-OLZOCXBDSA-N 1 2 308.430 0.723 10 0 DCAELO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1nnnn1C(C)(C)C ZINC000329091848 416150312 /nfs/dbraw/zinc/15/03/12/416150312.db2.gz XBNKWYGFJXCCDB-OLZOCXBDSA-N 1 2 308.430 0.723 10 0 DCAELO O=C(/C=C/c1ccnc(Cl)c1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000179101065 416182899 /nfs/dbraw/zinc/18/28/99/416182899.db2.gz CROTZQOGHVTDRD-ZIYVKSGCSA-N 1 2 306.797 0.864 10 0 DCAELO CN1C(=O)NC2(CC[NH+](Cc3cn4ccsc4n3)CC2)C1=O ZINC000179437977 416185943 /nfs/dbraw/zinc/18/59/43/416185943.db2.gz HGGHNNWVPIDURF-UHFFFAOYSA-N 1 2 319.390 0.912 10 0 DCAELO CCCn1cc(CN(CC[NH+]2CCOCC2)CC(=O)OC)cn1 ZINC000179587615 416190909 /nfs/dbraw/zinc/19/09/09/416190909.db2.gz XOUZXJVXNALGFZ-UHFFFAOYSA-N 1 2 324.425 0.600 10 0 DCAELO Cn1ccc(CC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)n1 ZINC000181506167 416208013 /nfs/dbraw/zinc/20/80/13/416208013.db2.gz ZCLWYBFSEFDDNJ-OAHLLOKOSA-N 1 2 306.410 0.676 10 0 DCAELO COC(=O)C1CCC(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)CC1 ZINC000341525681 416212382 /nfs/dbraw/zinc/21/23/82/416212382.db2.gz MFIURNYDIYJZCX-PQAZSJQKSA-N 1 2 310.394 0.507 10 0 DCAELO COC(=O)C1CCC(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)CC1 ZINC000341525681 416212387 /nfs/dbraw/zinc/21/23/87/416212387.db2.gz MFIURNYDIYJZCX-PQAZSJQKSA-N 1 2 310.394 0.507 10 0 DCAELO CC(C)COC[C@@H](O)CNc1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000178367055 416162820 /nfs/dbraw/zinc/16/28/20/416162820.db2.gz HJPXCSDDPUOQLI-KGLIPLIRSA-N 1 2 324.425 0.883 10 0 DCAELO CC(C)COC[C@@H](O)CNc1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000178367055 416162822 /nfs/dbraw/zinc/16/28/22/416162822.db2.gz HJPXCSDDPUOQLI-KGLIPLIRSA-N 1 2 324.425 0.883 10 0 DCAELO CN(C)c1noc(C[NH+]2CCC(C(=O)N3CCCC3)CC2)n1 ZINC000192689863 416309329 /nfs/dbraw/zinc/30/93/29/416309329.db2.gz FUPDTMRNATXRKN-UHFFFAOYSA-N 1 2 307.398 0.970 10 0 DCAELO Cc1nsc(N2CCN(C(=O)[C@H]3CC(F)(F)C[NH2+]3)CC2)n1 ZINC000263168153 416337472 /nfs/dbraw/zinc/33/74/72/416337472.db2.gz FJSZVMUVXZLWEC-SECBINFHSA-N 1 2 317.365 0.492 10 0 DCAELO CC(C)n1nnnc1C[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000195083024 416325024 /nfs/dbraw/zinc/32/50/24/416325024.db2.gz WBOJFLHKANQDGA-ZDUSSCGKSA-N 1 2 306.414 0.992 10 0 DCAELO CC(C)n1nnnc1C[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000195083024 416325025 /nfs/dbraw/zinc/32/50/25/416325025.db2.gz WBOJFLHKANQDGA-ZDUSSCGKSA-N 1 2 306.414 0.992 10 0 DCAELO C[C@@H](C[N@@H+]1C[C@H](C)OC2(CCOCC2)C1)CS(C)(=O)=O ZINC000366076160 416613935 /nfs/dbraw/zinc/61/39/35/416613935.db2.gz XUNZTECICQYMFI-STQMWFEESA-N 1 2 305.440 0.937 10 0 DCAELO C[C@@H](C[N@H+]1C[C@H](C)OC2(CCOCC2)C1)CS(C)(=O)=O ZINC000366076160 416613940 /nfs/dbraw/zinc/61/39/40/416613940.db2.gz XUNZTECICQYMFI-STQMWFEESA-N 1 2 305.440 0.937 10 0 DCAELO Cc1nc(N2CCN(C(=O)[C@H]3CCC[C@H](O)C3)CC2)cc[nH+]1 ZINC000439724494 416620907 /nfs/dbraw/zinc/62/09/07/416620907.db2.gz ZEFFCQGCRSURSR-KBPBESRZSA-N 1 2 304.394 0.985 10 0 DCAELO COC(=O)c1ccc(S(=O)(=O)NCC[NH+]2CCC2)c(C)c1 ZINC000443729605 416778796 /nfs/dbraw/zinc/77/87/96/416778796.db2.gz DOBKTMRSCRIYFS-UHFFFAOYSA-N 1 2 312.391 0.766 10 0 DCAELO c1cnc(N2CCN(c3cc(N4CCCC4)[nH+]cn3)CC2)nn1 ZINC000624443630 417038900 /nfs/dbraw/zinc/03/89/00/417038900.db2.gz LVJYUOUFOVCHJV-UHFFFAOYSA-N 1 2 312.381 0.588 10 0 DCAELO c1cnc(N2CCN(c3cc(N4CCCC4)nc[nH+]3)CC2)nn1 ZINC000624443630 417038907 /nfs/dbraw/zinc/03/89/07/417038907.db2.gz LVJYUOUFOVCHJV-UHFFFAOYSA-N 1 2 312.381 0.588 10 0 DCAELO C[C@@](O)(Cn1ccccc1=O)C(=O)NCCNc1cccc[nH+]1 ZINC000447963494 417052216 /nfs/dbraw/zinc/05/22/16/417052216.db2.gz JZRGCYSCJZDMTJ-MRXNPFEDSA-N 1 2 316.361 0.223 10 0 DCAELO Cc1noc([C@@H]2C[N@@H+](C[C@](C)(O)C(F)(F)F)CCN2C)n1 ZINC000408036375 417133427 /nfs/dbraw/zinc/13/34/27/417133427.db2.gz RVXRDUISKZMERL-ONGXEEELSA-N 1 2 308.304 0.980 10 0 DCAELO Cc1noc([C@@H]2C[N@H+](C[C@](C)(O)C(F)(F)F)CCN2C)n1 ZINC000408036375 417133437 /nfs/dbraw/zinc/13/34/37/417133437.db2.gz RVXRDUISKZMERL-ONGXEEELSA-N 1 2 308.304 0.980 10 0 DCAELO NS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)cc1 ZINC000570967400 417409845 /nfs/dbraw/zinc/40/98/45/417409845.db2.gz DNAOIACFJKEDLY-SECBINFHSA-N 1 2 305.306 0.270 10 0 DCAELO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cccc2ncnn21 ZINC000570666934 417376734 /nfs/dbraw/zinc/37/67/34/417376734.db2.gz OKAISHCNEKWCEV-LBPRGKRZSA-N 1 2 303.366 0.522 10 0 DCAELO CCOC(=O)[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC12COC2 ZINC000452262060 417462835 /nfs/dbraw/zinc/46/28/35/417462835.db2.gz LYIMJNMGUKJZFD-GFCCVEGCSA-N 1 2 307.350 0.311 10 0 DCAELO CN1CCC[C@@H](NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1=O ZINC000531365069 417619939 /nfs/dbraw/zinc/61/99/39/417619939.db2.gz GGRRRZRAQOMMEP-GFCCVEGCSA-N 1 2 305.382 0.920 10 0 DCAELO COc1cc(OC)c(OC)cc1C[N@H+]1C[C@H](C(N)=O)O[C@@H](C)C1 ZINC000628420024 417620576 /nfs/dbraw/zinc/62/05/76/417620576.db2.gz KXBWTRLYIPBXKL-ZUZCIYMTSA-N 1 2 324.377 0.787 10 0 DCAELO COc1cc(OC)c(OC)cc1C[N@@H+]1C[C@H](C(N)=O)O[C@@H](C)C1 ZINC000628420024 417620583 /nfs/dbraw/zinc/62/05/83/417620583.db2.gz KXBWTRLYIPBXKL-ZUZCIYMTSA-N 1 2 324.377 0.787 10 0 DCAELO Cn1nnnc1C[N@H+](C)CCC(=O)N1CCc2ccccc21 ZINC000532326997 417672313 /nfs/dbraw/zinc/67/23/13/417672313.db2.gz KXUVKAMRSGTNBI-UHFFFAOYSA-N 1 2 300.366 0.621 10 0 DCAELO Cn1nnnc1C[N@@H+](C)CCC(=O)N1CCc2ccccc21 ZINC000532326997 417672318 /nfs/dbraw/zinc/67/23/18/417672318.db2.gz KXUVKAMRSGTNBI-UHFFFAOYSA-N 1 2 300.366 0.621 10 0 DCAELO CC(=O)N(C)c1ccc(C(=O)NC[C@H]2COCC[N@@H+]2C)cc1 ZINC000628921889 417727683 /nfs/dbraw/zinc/72/76/83/417727683.db2.gz MLYVFLZWMLJABK-HNNXBMFYSA-N 1 2 305.378 0.730 10 0 DCAELO CC(=O)N(C)c1ccc(C(=O)NC[C@H]2COCC[N@H+]2C)cc1 ZINC000628921889 417727688 /nfs/dbraw/zinc/72/76/88/417727688.db2.gz MLYVFLZWMLJABK-HNNXBMFYSA-N 1 2 305.378 0.730 10 0 DCAELO CCC1(CC)C[N@H+](C[C@H](O)CN2CCCC2=O)CC[S@]1=O ZINC000185276035 545911586 /nfs/dbraw/zinc/91/15/86/545911586.db2.gz OIENOBVYTWUKOY-YEJXKQKISA-N 1 2 316.467 0.593 10 0 DCAELO CCC1(CC)C[N@@H+](C[C@H](O)CN2CCCC2=O)CC[S@]1=O ZINC000185276035 545911590 /nfs/dbraw/zinc/91/15/90/545911590.db2.gz OIENOBVYTWUKOY-YEJXKQKISA-N 1 2 316.467 0.593 10 0 DCAELO Cc1ccccc1C[C@@H](CO)NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000188045169 261126006 /nfs/dbraw/zinc/12/60/06/261126006.db2.gz HMPUMYXIMNQXIO-JKSUJKDBSA-N 1 2 321.421 0.528 10 0 DCAELO Cc1ccccc1C[C@@H](CO)NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000188045169 261126008 /nfs/dbraw/zinc/12/60/08/261126008.db2.gz HMPUMYXIMNQXIO-JKSUJKDBSA-N 1 2 321.421 0.528 10 0 DCAELO CCOC(=O)[C@@H](CC)N(C[C@H](O)C[NH+]1CCOCC1)C1CC1 ZINC000190611803 261135501 /nfs/dbraw/zinc/13/55/01/261135501.db2.gz ICSGCNQVSPLJHP-HUUCEWRRSA-N 1 2 314.426 0.486 10 0 DCAELO O=C(C[N@@H+]1CCN2CCOC[C@@H]2C1)NC(=O)NC1CCCCC1 ZINC000363791806 262129925 /nfs/dbraw/zinc/12/99/25/262129925.db2.gz DSEDUDWVYHVCSI-AWEZNQCLSA-N 1 2 324.425 0.161 10 0 DCAELO O=C(C[N@H+]1CCN2CCOC[C@@H]2C1)NC(=O)NC1CCCCC1 ZINC000363791806 262129928 /nfs/dbraw/zinc/12/99/28/262129928.db2.gz DSEDUDWVYHVCSI-AWEZNQCLSA-N 1 2 324.425 0.161 10 0 DCAELO C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000363791081 262130538 /nfs/dbraw/zinc/13/05/38/262130538.db2.gz CIBPAFCFHKNACR-NWDGAFQWSA-N 1 2 312.414 0.016 10 0 DCAELO C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000363791081 262130539 /nfs/dbraw/zinc/13/05/39/262130539.db2.gz CIBPAFCFHKNACR-NWDGAFQWSA-N 1 2 312.414 0.016 10 0 DCAELO COC(=O)[C@H](C1CC1)[NH+]1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000359608268 271130427 /nfs/dbraw/zinc/13/04/27/271130427.db2.gz ITZRFGTYQPJTJQ-AWEZNQCLSA-N 1 2 318.377 0.254 10 0 DCAELO Cc1cc(C[C@H](C)NC(=O)C[N@@H+](C)CC(=O)NC(C)C)[nH]n1 ZINC000488982402 272055252 /nfs/dbraw/zinc/05/52/52/272055252.db2.gz LPLCVBOZZVEXMS-NSHDSACASA-N 1 2 309.414 0.222 10 0 DCAELO Cc1cc(C[C@H](C)NC(=O)C[N@H+](C)CC(=O)NC(C)C)[nH]n1 ZINC000488982402 272055254 /nfs/dbraw/zinc/05/52/54/272055254.db2.gz LPLCVBOZZVEXMS-NSHDSACASA-N 1 2 309.414 0.222 10 0 DCAELO CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(C(C)(C)C(=O)OC)CC1 ZINC000494449050 272222203 /nfs/dbraw/zinc/22/22/03/272222203.db2.gz XQGDNCNOXPSQJG-QWHCGFSZSA-N 1 2 313.442 0.859 10 0 DCAELO COC(=O)c1ccc(S(=O)(=O)N2CC(n3cc[nH+]c3)C2)cc1 ZINC000541122536 287916793 /nfs/dbraw/zinc/91/67/93/287916793.db2.gz HFMRRPPVHWBSNL-UHFFFAOYSA-N 1 2 321.358 0.915 10 0 DCAELO CC(=O)N1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000329710102 278021830 /nfs/dbraw/zinc/02/18/30/278021830.db2.gz NMGLDTRHVMOLMH-CVEARBPZSA-N 1 2 323.437 0.711 10 0 DCAELO CC(C)c1nc2c(n1C)CCN(C(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC000174816806 278074813 /nfs/dbraw/zinc/07/48/13/278074813.db2.gz BTUGWQZMEDZURL-CQSZACIVSA-N 1 2 306.410 0.759 10 0 DCAELO CC(C)c1nc2c(n1C)CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC000174816806 278074814 /nfs/dbraw/zinc/07/48/14/278074814.db2.gz BTUGWQZMEDZURL-CQSZACIVSA-N 1 2 306.410 0.759 10 0 DCAELO COc1cc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)nn1C ZINC000547792956 288080059 /nfs/dbraw/zinc/08/00/59/288080059.db2.gz FTHHHOSYJHOOPB-CYBMUJFWSA-N 1 2 322.409 0.756 10 0 DCAELO Cc1csc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)n1 ZINC000372736071 279043167 /nfs/dbraw/zinc/04/31/67/279043167.db2.gz GLQBJJKEUOPJRI-UMNHJUIQSA-N 1 2 308.407 0.976 10 0 DCAELO Cc1csc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)n1 ZINC000372736071 279043168 /nfs/dbraw/zinc/04/31/68/279043168.db2.gz GLQBJJKEUOPJRI-UMNHJUIQSA-N 1 2 308.407 0.976 10 0 DCAELO Cn1nnnc1C[N@H+](C)CCC(=O)N1CCc2ccccc2C1 ZINC000548394592 288139509 /nfs/dbraw/zinc/13/95/09/288139509.db2.gz CYTMSEWJBJWPQU-UHFFFAOYSA-N 1 2 314.393 0.617 10 0 DCAELO Cn1nnnc1C[N@@H+](C)CCC(=O)N1CCc2ccccc2C1 ZINC000548394592 288139512 /nfs/dbraw/zinc/13/95/12/288139512.db2.gz CYTMSEWJBJWPQU-UHFFFAOYSA-N 1 2 314.393 0.617 10 0 DCAELO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1S(=O)(=O)C[C@@H]1CCCO1 ZINC000329469203 297809240 /nfs/dbraw/zinc/80/92/40/297809240.db2.gz XJZYTVBBNIDGLE-HZSPNIEDSA-N 1 2 318.439 0.290 10 0 DCAELO C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)S(C)(=O)=O ZINC000248037040 298190297 /nfs/dbraw/zinc/19/02/97/298190297.db2.gz LKRCKDBGWMRKJZ-XBFCOCLRSA-N 1 2 310.419 0.981 10 0 DCAELO C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)S(C)(=O)=O ZINC000248037040 298190299 /nfs/dbraw/zinc/19/02/99/298190299.db2.gz LKRCKDBGWMRKJZ-XBFCOCLRSA-N 1 2 310.419 0.981 10 0 DCAELO Cc1c[nH]cc(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c1=O ZINC000408135872 301028046 /nfs/dbraw/zinc/02/80/46/301028046.db2.gz ZMPOCRCVWBDRCB-OCCSQVGLSA-N 1 2 305.378 0.476 10 0 DCAELO COCC[N@H+]1CCN(C(=O)c2cccc3nn[nH]c32)C[C@H]1C ZINC000188047322 333019132 /nfs/dbraw/zinc/01/91/32/333019132.db2.gz WKQMSXFJAWRTTJ-LLVKDONJSA-N 1 2 303.366 0.751 10 0 DCAELO NC(=O)[C@@H](O)C1CC[NH+](Cc2nc(C3CCCC3)no2)CC1 ZINC000299748096 534419924 /nfs/dbraw/zinc/41/99/24/534419924.db2.gz FZKXJZTWEHDXHM-ZDUSSCGKSA-N 1 2 308.382 0.785 10 0 DCAELO CCCNC(=O)c1cccc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000132259978 519901734 /nfs/dbraw/zinc/90/17/34/519901734.db2.gz UCJHAHNDILCMHE-OAHLLOKOSA-N 1 2 319.405 0.887 10 0 DCAELO CCCNC(=O)c1cccc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000132259978 519901736 /nfs/dbraw/zinc/90/17/36/519901736.db2.gz UCJHAHNDILCMHE-OAHLLOKOSA-N 1 2 319.405 0.887 10 0 DCAELO O=C(CNc1cc(N2CCC[C@@H]2CO)nc[nH+]1)NCC1CC1 ZINC000302079928 534599085 /nfs/dbraw/zinc/59/90/85/534599085.db2.gz XLGBNMBFZRXETH-GFCCVEGCSA-N 1 2 305.382 0.376 10 0 DCAELO O=C(CNc1cc(N2CCC[C@@H]2CO)[nH+]cn1)NCC1CC1 ZINC000302079928 534599093 /nfs/dbraw/zinc/59/90/93/534599093.db2.gz XLGBNMBFZRXETH-GFCCVEGCSA-N 1 2 305.382 0.376 10 0 DCAELO COC(=O)CC1(CC(=O)NC[C@@H]2C[N@H+](C)CCO2)CCCC1 ZINC000189199515 522925459 /nfs/dbraw/zinc/92/54/59/522925459.db2.gz MJIZJNYBJRGYCS-CYBMUJFWSA-N 1 2 312.410 0.947 10 0 DCAELO COC(=O)CC1(CC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CCCC1 ZINC000189199515 522925469 /nfs/dbraw/zinc/92/54/69/522925469.db2.gz MJIZJNYBJRGYCS-CYBMUJFWSA-N 1 2 312.410 0.947 10 0 DCAELO CCn1cc([C@H]2C[N@H+](C[C@H](O)Cn3cccn3)CCO2)cn1 ZINC000190764405 523481896 /nfs/dbraw/zinc/48/18/96/523481896.db2.gz ACTKTVDBOLTYIL-LSDHHAIUSA-N 1 2 305.382 0.534 10 0 DCAELO CCn1cc([C@H]2C[N@@H+](C[C@H](O)Cn3cccn3)CCO2)cn1 ZINC000190764405 523481898 /nfs/dbraw/zinc/48/18/98/523481898.db2.gz ACTKTVDBOLTYIL-LSDHHAIUSA-N 1 2 305.382 0.534 10 0 DCAELO Cc1ccc(C)c(CC(=O)NC[C@H](O)C[NH+]2CCOCC2)c1 ZINC000128028871 524091794 /nfs/dbraw/zinc/09/17/94/524091794.db2.gz ZEMGKIUSEOFLKV-INIZCTEOSA-N 1 2 306.406 0.655 10 0 DCAELO COc1ccsc1S(=O)(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000157175828 524882086 /nfs/dbraw/zinc/88/20/86/524882086.db2.gz PQCVJNYXAGEBGO-VIFPVBQESA-N 1 2 306.409 0.366 10 0 DCAELO COc1ccsc1S(=O)(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000157175828 524882099 /nfs/dbraw/zinc/88/20/99/524882099.db2.gz PQCVJNYXAGEBGO-VIFPVBQESA-N 1 2 306.409 0.366 10 0 DCAELO CC(=O)[C@@](C)(O)C[NH+]1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC000331315581 527137875 /nfs/dbraw/zinc/13/78/75/527137875.db2.gz IZUYQLQLZKKBGX-INIZCTEOSA-N 1 2 308.378 0.994 10 0 DCAELO Cn1cnc2cc(C(=O)NCC(C)(C)[NH+]3CCOCC3)cnc21 ZINC000158357651 527498250 /nfs/dbraw/zinc/49/82/50/527498250.db2.gz IIWNQIITQCPRSN-UHFFFAOYSA-N 1 2 317.393 0.809 10 0 DCAELO CCOc1ccnc(N2CC[NH+](Cc3cncnc3)CC2)n1 ZINC000121497266 545749905 /nfs/dbraw/zinc/74/99/05/545749905.db2.gz TWJLTPXLMUILAI-UHFFFAOYSA-N 1 2 300.366 0.988 10 0 DCAELO CC[C@@H](O)C[NH+]1CCN(C(=O)c2cn3ccnc3s2)CC1 ZINC000188456258 545917398 /nfs/dbraw/zinc/91/73/98/545917398.db2.gz LFWNSKJFCHGMAR-LLVKDONJSA-N 1 2 308.407 0.925 10 0 DCAELO Cn1cc(C(=O)c2nc([C@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)cn1 ZINC000350362674 546162316 /nfs/dbraw/zinc/16/23/16/546162316.db2.gz VPTBHACFDOOMBP-IAQYHMDHSA-N 1 2 317.349 0.960 10 0 DCAELO Cn1cc(C(=O)c2nc([C@H]3C[N@H+]4CCC[C@]4(C)CO3)no2)cn1 ZINC000350362674 546162317 /nfs/dbraw/zinc/16/23/17/546162317.db2.gz VPTBHACFDOOMBP-IAQYHMDHSA-N 1 2 317.349 0.960 10 0 DCAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)Nc1cccnc1Cl ZINC000125827002 660898457 /nfs/dbraw/zinc/89/84/57/660898457.db2.gz PLGOUKHBCUPTFN-JTQLQIEISA-N 1 2 314.773 0.550 10 0 DCAELO CC(=O)N1CSC[C@H]1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178377510 657853576 /nfs/dbraw/zinc/85/35/76/657853576.db2.gz DPEHKQKZTBGYPY-LBPRGKRZSA-N 1 2 304.375 0.872 10 0 DCAELO [NH3+][C@@]1(C(=O)[O-])CCN(Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000067786138 662887054 /nfs/dbraw/zinc/88/70/54/662887054.db2.gz NPPBSOUVTZUJRW-KRWDZBQOSA-N 1 2 319.405 0.507 10 0 DCAELO CCCS(=O)(=O)CC[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000709786038 667445736 /nfs/dbraw/zinc/44/57/36/667445736.db2.gz RCUPMBOSYBILMP-VHSXEESVSA-N 1 2 303.346 0.914 10 0 DCAELO CCCS(=O)(=O)CC[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000709786038 667445737 /nfs/dbraw/zinc/44/57/37/667445737.db2.gz RCUPMBOSYBILMP-VHSXEESVSA-N 1 2 303.346 0.914 10 0 DCAELO COc1nccnc1C[N@@H+]1CCC[C@](O)(Cc2nc(C)no2)C1 ZINC000886091794 667730970 /nfs/dbraw/zinc/73/09/70/667730970.db2.gz WZDUDHATNRASOX-HNNXBMFYSA-N 1 2 319.365 0.746 10 0 DCAELO COc1nccnc1C[N@H+]1CCC[C@](O)(Cc2nc(C)no2)C1 ZINC000886091794 667730974 /nfs/dbraw/zinc/73/09/74/667730974.db2.gz WZDUDHATNRASOX-HNNXBMFYSA-N 1 2 319.365 0.746 10 0 DCAELO C[N@@H+]1CC[C@H]1CNS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000712355915 667743895 /nfs/dbraw/zinc/74/38/95/667743895.db2.gz HYEJHLVPQVHPKC-VIFPVBQESA-N 1 2 314.798 0.970 10 0 DCAELO C[N@H+]1CC[C@H]1CNS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000712355915 667743899 /nfs/dbraw/zinc/74/38/99/667743899.db2.gz HYEJHLVPQVHPKC-VIFPVBQESA-N 1 2 314.798 0.970 10 0 DCAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1ccn2ccccc12 ZINC000828589487 668140129 /nfs/dbraw/zinc/14/01/29/668140129.db2.gz NEENOKYQJFPSBW-ZDUSSCGKSA-N 1 2 303.362 0.362 10 0 DCAELO COCCN1[C@H](C)C[N@@H+](C[C@@H](C)CS(C)(=O)=O)C[C@@H]1C ZINC000129405621 669450083 /nfs/dbraw/zinc/45/00/83/669450083.db2.gz BBPNCDLTOCAWQM-MCIONIFRSA-N 1 2 306.472 0.708 10 0 DCAELO COCCN1[C@H](C)C[N@H+](C[C@@H](C)CS(C)(=O)=O)C[C@@H]1C ZINC000129405621 669450087 /nfs/dbraw/zinc/45/00/87/669450087.db2.gz BBPNCDLTOCAWQM-MCIONIFRSA-N 1 2 306.472 0.708 10 0 DCAELO CN(Cc1nc(C2CCCC2)no1)C[C@H](O)C[NH+]1CCOCC1 ZINC000155268827 530022406 /nfs/dbraw/zinc/02/24/06/530022406.db2.gz PGMCUWYLYHOCDK-AWEZNQCLSA-N 1 2 324.425 0.852 10 0 DCAELO CNC(=O)[C@H]1CCCN(C(=O)NCc2cn3c([nH+]2)CCCC3)C1 ZINC000265143442 186338685 /nfs/dbraw/zinc/33/86/85/186338685.db2.gz NVTPQECRXFWBSY-LBPRGKRZSA-N 1 2 319.409 0.887 10 0 DCAELO CC(=O)NC[C@H]1C[N@H+](C[C@H](O)COCc2ccccc2)CCO1 ZINC000172238553 198062815 /nfs/dbraw/zinc/06/28/15/198062815.db2.gz HNSHIYDMMHIORF-IRXDYDNUSA-N 1 2 322.405 0.401 10 0 DCAELO CC(=O)NC[C@H]1C[N@@H+](C[C@H](O)COCc2ccccc2)CCO1 ZINC000172238553 198062818 /nfs/dbraw/zinc/06/28/18/198062818.db2.gz HNSHIYDMMHIORF-IRXDYDNUSA-N 1 2 322.405 0.401 10 0 DCAELO O=C(CNC(=O)c1ccccn1)N1CCC(n2cc[nH+]c2)CC1 ZINC000172532341 198110623 /nfs/dbraw/zinc/11/06/23/198110623.db2.gz XXFOMTWWHLZZNA-UHFFFAOYSA-N 1 2 313.361 0.872 10 0 DCAELO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cnc(N2CCOCC2)s1 ZINC000179353557 199020502 /nfs/dbraw/zinc/02/05/02/199020502.db2.gz IKFLNWHBMKDZQH-LBPRGKRZSA-N 1 2 310.423 0.690 10 0 DCAELO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cnc(N2CCOCC2)s1 ZINC000179353557 199020504 /nfs/dbraw/zinc/02/05/04/199020504.db2.gz IKFLNWHBMKDZQH-LBPRGKRZSA-N 1 2 310.423 0.690 10 0 DCAELO C[C@@H]1CN(C(=O)C(=O)Nc2ccsc2)C[C@H]1[NH+]1CCOCC1 ZINC000180259358 199137797 /nfs/dbraw/zinc/13/77/97/199137797.db2.gz WBNBBCLFAYMXIM-DGCLKSJQSA-N 1 2 323.418 0.866 10 0 DCAELO Cc1cccc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCOCC2)c1F ZINC000180406483 199155798 /nfs/dbraw/zinc/15/57/98/199155798.db2.gz VEQMDYFSEWXBOI-GFCCVEGCSA-N 1 2 323.368 0.910 10 0 DCAELO CC[C@@H](O)C[NH+]1CCN(CC(=O)NOCc2ccccc2)CC1 ZINC000180517808 199169767 /nfs/dbraw/zinc/16/97/67/199169767.db2.gz AMHXXJLQFOSCLI-MRXNPFEDSA-N 1 2 321.421 0.623 10 0 DCAELO CN(C)C(=O)c1ccc(C(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)cc1 ZINC000152820042 237009546 /nfs/dbraw/zinc/00/95/46/237009546.db2.gz MENJYIFUDWRGFD-GJZGRUSLSA-N 1 2 317.389 0.543 10 0 DCAELO CN(C)C(=O)c1ccc(C(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)cc1 ZINC000152820042 237009553 /nfs/dbraw/zinc/00/95/53/237009553.db2.gz MENJYIFUDWRGFD-GJZGRUSLSA-N 1 2 317.389 0.543 10 0 DCAELO Cc1cccc(N(CCC(N)=O)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000156799253 237052868 /nfs/dbraw/zinc/05/28/68/237052868.db2.gz UJOWDOIKKZXHMX-INIZCTEOSA-N 1 2 321.421 0.370 10 0 DCAELO C[C@H](NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)C1CCCC1 ZINC000175784730 237188117 /nfs/dbraw/zinc/18/81/17/237188117.db2.gz YDGBIEBFTFZJEM-DZGCQCFKSA-N 1 2 313.442 0.900 10 0 DCAELO C[C@H]1CN(C(=O)c2ccc(C(N)=O)s2)C[C@H]1[NH+]1CCOCC1 ZINC000173962801 237168558 /nfs/dbraw/zinc/16/85/58/237168558.db2.gz GSAAQNBVXNNRJE-WDEREUQCSA-N 1 2 323.418 0.640 10 0 DCAELO CCNC(=O)c1ccc(OC[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000155066919 291217611 /nfs/dbraw/zinc/21/76/11/291217611.db2.gz YZJJRXKHSWCPOI-CQSZACIVSA-N 1 2 308.378 0.508 10 0 DCAELO COCCc1noc(C[N@H+](C)C[C@H](O)COC(C)(C)C)n1 ZINC000156877766 291226188 /nfs/dbraw/zinc/22/61/88/291226188.db2.gz QGSKHNQPFZQYCH-NSHDSACASA-N 1 2 301.387 0.866 10 0 DCAELO COCCc1noc(C[N@@H+](C)C[C@H](O)COC(C)(C)C)n1 ZINC000156877766 291226192 /nfs/dbraw/zinc/22/61/92/291226192.db2.gz QGSKHNQPFZQYCH-NSHDSACASA-N 1 2 301.387 0.866 10 0 DCAELO Cn1cc[nH+]c1[C@@H]1CN(C(=O)COC[C@H]2CCCO2)CCN1C ZINC000328616994 291259511 /nfs/dbraw/zinc/25/95/11/291259511.db2.gz CGFGZRXZBHAYAM-KGLIPLIRSA-N 1 2 322.409 0.431 10 0 DCAELO COC(=O)[C@@H]1CCCC[N@@H+]1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000338229959 291325583 /nfs/dbraw/zinc/32/55/83/291325583.db2.gz FERAPGLFJWTIHR-NEPJUHHUSA-N 1 2 304.412 0.295 10 0 DCAELO COC(=O)[C@@H]1CCCC[N@H+]1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000338229959 291325586 /nfs/dbraw/zinc/32/55/86/291325586.db2.gz FERAPGLFJWTIHR-NEPJUHHUSA-N 1 2 304.412 0.295 10 0 DCAELO C[C@H](NC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1)[C@H]1CCCO1 ZINC000275456843 212344825 /nfs/dbraw/zinc/34/48/25/212344825.db2.gz RNNIUCKAQQRHCJ-MELADBBJSA-N 1 2 321.425 0.986 10 0 DCAELO CS[C@@H](CO)[C@@H](C)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000569876617 291500610 /nfs/dbraw/zinc/50/06/10/291500610.db2.gz RAEFDRZVVOUUTA-KOLCDFICSA-N 1 2 322.390 0.501 10 0 DCAELO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)CC(F)(F)F)[C@H](C)C1 ZINC000408397620 296186349 /nfs/dbraw/zinc/18/63/49/296186349.db2.gz YXCLKVLHZKBHED-RKDXNWHRSA-N 1 2 304.334 0.265 10 0 DCAELO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)CC(F)(F)F)[C@H](C)C1 ZINC000408397620 296186350 /nfs/dbraw/zinc/18/63/50/296186350.db2.gz YXCLKVLHZKBHED-RKDXNWHRSA-N 1 2 304.334 0.265 10 0 DCAELO COCc1cccc(CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000104788461 194040663 /nfs/dbraw/zinc/04/06/63/194040663.db2.gz WDQANBMMEBFFET-OAHLLOKOSA-N 1 2 307.394 0.963 10 0 DCAELO COCc1cccc(CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000104788461 194040664 /nfs/dbraw/zinc/04/06/64/194040664.db2.gz WDQANBMMEBFFET-OAHLLOKOSA-N 1 2 307.394 0.963 10 0 DCAELO O=C(NCc1ccc(N2CCCC2)[nH+]c1)N1CCNC(=O)CC1 ZINC000105115156 194074576 /nfs/dbraw/zinc/07/45/76/194074576.db2.gz IRCFSUVNWQZULH-UHFFFAOYSA-N 1 2 317.393 0.713 10 0 DCAELO COCCN(Cc1ccco1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000105282005 194092672 /nfs/dbraw/zinc/09/26/72/194092672.db2.gz PSUBHBLTRQHNJI-AWEZNQCLSA-N 1 2 311.382 0.768 10 0 DCAELO COCCN(Cc1ccco1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000105282005 194092675 /nfs/dbraw/zinc/09/26/75/194092675.db2.gz PSUBHBLTRQHNJI-AWEZNQCLSA-N 1 2 311.382 0.768 10 0 DCAELO CCNC(=O)CNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000061377317 184169326 /nfs/dbraw/zinc/16/93/26/184169326.db2.gz ZFPBKCVZQJSSMB-UHFFFAOYSA-N 1 2 305.382 0.486 10 0 DCAELO COCC[N@@H+]1CCN(S(=O)(=O)N2CCC[C@H]2C)C[C@H]1C ZINC000184998327 532968920 /nfs/dbraw/zinc/96/89/20/532968920.db2.gz GTYNQERIYDWFTP-CHWSQXEVSA-N 1 2 305.444 0.368 10 0 DCAELO COCC[N@H+]1CCN(S(=O)(=O)N2CCC[C@H]2C)C[C@H]1C ZINC000184998327 532968923 /nfs/dbraw/zinc/96/89/23/532968923.db2.gz GTYNQERIYDWFTP-CHWSQXEVSA-N 1 2 305.444 0.368 10 0 DCAELO O=C1NC[C@H]2C[N@H+]([C@H]3CCc4c3cccc4Cl)CCN2C1=O ZINC000246569413 296384904 /nfs/dbraw/zinc/38/49/04/296384904.db2.gz FLIUYSSFWSYXAS-HZMBPMFUSA-N 1 2 319.792 0.970 10 0 DCAELO O=C1NC[C@H]2C[N@@H+]([C@H]3CCc4c3cccc4Cl)CCN2C1=O ZINC000246569413 296384905 /nfs/dbraw/zinc/38/49/05/296384905.db2.gz FLIUYSSFWSYXAS-HZMBPMFUSA-N 1 2 319.792 0.970 10 0 DCAELO CNC(=O)CN1CCO[C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@@H]21 ZINC000247912772 257113979 /nfs/dbraw/zinc/11/39/79/257113979.db2.gz AFOLZZRKMVJHBE-LSDHHAIUSA-N 1 2 307.369 0.457 10 0 DCAELO CNC(=O)CN1CCO[C@@H]2C[N@@H+](Cc3cccc(F)c3)C[C@@H]21 ZINC000247912772 257113981 /nfs/dbraw/zinc/11/39/81/257113981.db2.gz AFOLZZRKMVJHBE-LSDHHAIUSA-N 1 2 307.369 0.457 10 0 DCAELO COCCNC(=O)[C@@H]1C[C@H]2CC[N@H+](Cc3cc(C)on3)C[C@@H]2O1 ZINC000247907824 257115453 /nfs/dbraw/zinc/11/54/53/257115453.db2.gz KMDCUXSKSQYMNB-SNPRPXQTSA-N 1 2 323.393 0.725 10 0 DCAELO COCCNC(=O)[C@@H]1C[C@H]2CC[N@@H+](Cc3cc(C)on3)C[C@@H]2O1 ZINC000247907824 257115454 /nfs/dbraw/zinc/11/54/54/257115454.db2.gz KMDCUXSKSQYMNB-SNPRPXQTSA-N 1 2 323.393 0.725 10 0 DCAELO CS(=O)(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]21 ZINC000247551630 257119188 /nfs/dbraw/zinc/11/91/88/257119188.db2.gz WAZLNPQGWOCHOL-ZIAGYGMSSA-N 1 2 311.407 0.316 10 0 DCAELO CS(=O)(=O)N1CCO[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]21 ZINC000247551630 257119189 /nfs/dbraw/zinc/11/91/89/257119189.db2.gz WAZLNPQGWOCHOL-ZIAGYGMSSA-N 1 2 311.407 0.316 10 0 DCAELO CC(C)C[C@@H](C)OCCC(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000133112015 545797189 /nfs/dbraw/zinc/79/71/89/545797189.db2.gz AQCCOMMBGJVKDS-CABCVRRESA-N 1 2 316.442 0.637 10 0 DCAELO C[C@@H]1C[C@H](NC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)CCO1 ZINC000275643978 130354970 /nfs/dbraw/zinc/35/49/70/130354970.db2.gz NVWLCRAKZZUNEG-MGPQQGTHSA-N 1 2 321.425 0.986 10 0 DCAELO CC(=O)N1CC[C@H](NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)C1 ZINC000120837804 132147016 /nfs/dbraw/zinc/14/70/16/132147016.db2.gz HQYCZRSXAFQYFT-KBPBESRZSA-N 1 2 305.382 0.678 10 0 DCAELO O=C(CCN1CC1)NCCCCCCNC(=O)CC[NH+]1CC1 ZINC000005160664 395682689 /nfs/dbraw/zinc/68/26/89/395682689.db2.gz ZONJGAVTEZMJMY-UHFFFAOYSA-N 1 2 310.442 0.191 10 0 DCAELO Cn1nc(C(=O)NCc2cccnc2-n2cc[nH+]c2)ccc1=O ZINC000029912162 395700466 /nfs/dbraw/zinc/70/04/66/395700466.db2.gz GIBOSYHHIKBXMG-UHFFFAOYSA-N 1 2 310.317 0.291 10 0 DCAELO C[C@H](CNC(=O)N(CCO)Cc1ccccc1)[NH+]1CCOCC1 ZINC000097427941 395757390 /nfs/dbraw/zinc/75/73/90/395757390.db2.gz BYJBWPWNGNWTJU-OAHLLOKOSA-N 1 2 321.421 0.911 10 0 DCAELO Cc1noc(CCNC(=O)NCC(C)(C)[NH+]2CCOCC2)n1 ZINC000101771218 395767347 /nfs/dbraw/zinc/76/73/47/395767347.db2.gz VNTSMCORAWXALV-UHFFFAOYSA-N 1 2 311.386 0.331 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc3c(c2)OCCCO3)C1 ZINC000194623486 395802646 /nfs/dbraw/zinc/80/26/46/395802646.db2.gz VDDIZODDABLCLK-ZDUSSCGKSA-N 1 2 306.362 0.908 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)c2ccc3c(c2)OCCCO3)C1 ZINC000194623486 395802650 /nfs/dbraw/zinc/80/26/50/395802650.db2.gz VDDIZODDABLCLK-ZDUSSCGKSA-N 1 2 306.362 0.908 10 0 DCAELO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@H]2CCOC[C@H]2C)CC1 ZINC000195359234 395825754 /nfs/dbraw/zinc/82/57/54/395825754.db2.gz JPMSWELVJPULDF-IPYPFGDCSA-N 1 2 323.437 0.470 10 0 DCAELO CC(C)n1nnnc1C[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000195509377 395830542 /nfs/dbraw/zinc/83/05/42/395830542.db2.gz WUYKCXCMTDGKSN-UHFFFAOYSA-N 1 2 319.413 0.822 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2cc(F)ccc2F)C1 ZINC000118115921 395860085 /nfs/dbraw/zinc/86/00/85/395860085.db2.gz WJNYKYNIIWJPDZ-SNVBAGLBSA-N 1 2 313.304 0.350 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2cc(F)ccc2F)C1 ZINC000118115921 395860088 /nfs/dbraw/zinc/86/00/88/395860088.db2.gz WJNYKYNIIWJPDZ-SNVBAGLBSA-N 1 2 313.304 0.350 10 0 DCAELO COC(=O)[C@@H]1CCN(C(=O)OC)[C@@H](C[NH+]2CCOCC2)C1 ZINC000115751778 395841589 /nfs/dbraw/zinc/84/15/89/395841589.db2.gz XZORBTZSAQESOC-VXGBXAGGSA-N 1 2 300.355 0.339 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc(F)cc2F)C1 ZINC000118115916 395860524 /nfs/dbraw/zinc/86/05/24/395860524.db2.gz NEBOJOAWCRVDGT-SNVBAGLBSA-N 1 2 313.304 0.350 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc(F)cc2F)C1 ZINC000118115916 395860526 /nfs/dbraw/zinc/86/05/26/395860526.db2.gz NEBOJOAWCRVDGT-SNVBAGLBSA-N 1 2 313.304 0.350 10 0 DCAELO Cc1ccc2ncn(C[C@H](O)C[NH+]3CCOCC3)c(=O)c2c1 ZINC000051374202 395849958 /nfs/dbraw/zinc/84/99/58/395849958.db2.gz QAWCVTKBBPBWJY-CYBMUJFWSA-N 1 2 303.362 0.398 10 0 DCAELO CCn1cc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)ccc1=O ZINC000122910638 395890614 /nfs/dbraw/zinc/89/06/14/395890614.db2.gz MEDHRSDWZBCVCL-UHFFFAOYSA-N 1 2 318.377 0.113 10 0 DCAELO CCCOc1cccc(C(=O)NC[C@H](O)C[NH+]2CCOCC2)c1 ZINC000129246945 395919905 /nfs/dbraw/zinc/91/99/05/395919905.db2.gz AWVMFOXWPPQHAI-HNNXBMFYSA-N 1 2 322.405 0.898 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC(c3ccccc3)=NO2)C1 ZINC000245386001 395927552 /nfs/dbraw/zinc/92/75/52/395927552.db2.gz JCIBXIHZKIXNHI-UKRRQHHQSA-N 1 2 303.362 0.626 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC(c3ccccc3)=NO2)C1 ZINC000245386001 395927554 /nfs/dbraw/zinc/92/75/54/395927554.db2.gz JCIBXIHZKIXNHI-UKRRQHHQSA-N 1 2 303.362 0.626 10 0 DCAELO Cc1ncsc1C[NH+]1CCN(CC(=O)N2CCOCC2)CC1 ZINC000119978400 395879975 /nfs/dbraw/zinc/87/99/75/395879975.db2.gz GSPPTMWWJDAITI-UHFFFAOYSA-N 1 2 324.450 0.428 10 0 DCAELO C[C@H](NS(=O)(=O)N1CCC[C@@H](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000245931759 395938043 /nfs/dbraw/zinc/93/80/43/395938043.db2.gz ZFZIRIKLYTUCHD-RDBSUJKOSA-N 1 2 319.471 0.662 10 0 DCAELO O=C(NC[C@H]1COCCO1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000057080357 395938586 /nfs/dbraw/zinc/93/85/86/395938586.db2.gz CQHNJOWCOWCGTR-AWEZNQCLSA-N 1 2 320.393 0.765 10 0 DCAELO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CC(=O)NC[C@@H]1CCCO1 ZINC000248863863 395999490 /nfs/dbraw/zinc/99/94/90/395999490.db2.gz SMTAAPVHILEONP-XPCVCDNBSA-N 1 2 310.394 0.555 10 0 DCAELO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CC(=O)NC[C@@H]1CCCO1 ZINC000248863863 395999493 /nfs/dbraw/zinc/99/94/93/395999493.db2.gz SMTAAPVHILEONP-XPCVCDNBSA-N 1 2 310.394 0.555 10 0 DCAELO O=C(N[C@H]1CCS(=O)(=O)C1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000246351679 395947902 /nfs/dbraw/zinc/94/79/02/395947902.db2.gz DDMYJOBYMGULCX-NWDGAFQWSA-N 1 2 301.412 0.053 10 0 DCAELO O=C(N[C@H]1CCS(=O)(=O)C1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000246351679 395947905 /nfs/dbraw/zinc/94/79/05/395947905.db2.gz DDMYJOBYMGULCX-NWDGAFQWSA-N 1 2 301.412 0.053 10 0 DCAELO Cn1cc(N2CCC[C@@H]([N@@H+]3CCO[C@@]4(CCOC4)C3)C2=O)cn1 ZINC000248902527 396000218 /nfs/dbraw/zinc/00/02/18/396000218.db2.gz AMPVYVSVUPLMOP-ZBFHGGJFSA-N 1 2 320.393 0.407 10 0 DCAELO Cn1cc(N2CCC[C@@H]([N@H+]3CCO[C@@]4(CCOC4)C3)C2=O)cn1 ZINC000248902527 396000220 /nfs/dbraw/zinc/00/02/20/396000220.db2.gz AMPVYVSVUPLMOP-ZBFHGGJFSA-N 1 2 320.393 0.407 10 0 DCAELO C[C@H](C[C@H](O)c1ccco1)NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000247338959 395971567 /nfs/dbraw/zinc/97/15/67/395971567.db2.gz GQDBZTHVBCDNSH-AGIUHOORSA-N 1 2 311.382 0.721 10 0 DCAELO C[C@H](C[C@H](O)c1ccco1)NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000247338959 395971569 /nfs/dbraw/zinc/97/15/69/395971569.db2.gz GQDBZTHVBCDNSH-AGIUHOORSA-N 1 2 311.382 0.721 10 0 DCAELO C[C@@H]([NH2+]CCNS(C)(=O)=O)c1cn(-c2ccccc2)nn1 ZINC000150864235 395973974 /nfs/dbraw/zinc/97/39/74/395973974.db2.gz OANIVJQUOIBLRP-LLVKDONJSA-N 1 2 309.395 0.467 10 0 DCAELO C[C@@H]1CCN(S(=O)(=O)c2cnn(C)c2)C[C@H]1n1cc[nH+]c1 ZINC000247641940 395977276 /nfs/dbraw/zinc/97/72/76/395977276.db2.gz OOHUZZXMWWGRKO-DGCLKSJQSA-N 1 2 309.395 0.888 10 0 DCAELO O=C(NOC[C@H]1CCOC1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000248730894 395996398 /nfs/dbraw/zinc/99/63/98/395996398.db2.gz FSQFDQLCALLTGH-STQMWFEESA-N 1 2 306.366 0.928 10 0 DCAELO CCNC(=O)NC(=O)C[N@@H+]1CCN(CC(F)F)[C@@H](CC)C1 ZINC000153452930 396024978 /nfs/dbraw/zinc/02/49/78/396024978.db2.gz QKNFNJQINTZBDG-JTQLQIEISA-N 1 2 306.357 0.493 10 0 DCAELO CCNC(=O)NC(=O)C[N@H+]1CCN(CC(F)F)[C@@H](CC)C1 ZINC000153452930 396024979 /nfs/dbraw/zinc/02/49/79/396024979.db2.gz QKNFNJQINTZBDG-JTQLQIEISA-N 1 2 306.357 0.493 10 0 DCAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1ccc(Cl)cc1O ZINC000154139945 396032421 /nfs/dbraw/zinc/03/24/21/396032421.db2.gz GECVRXIEPKSSOL-LLVKDONJSA-N 1 2 314.769 0.469 10 0 DCAELO c1cnn(-c2cncc(NC[C@@H]3C[N@@H+](C4CC4)CCO3)n2)c1 ZINC000066745836 396013842 /nfs/dbraw/zinc/01/38/42/396013842.db2.gz AVZBWHJBUOJHEW-CYBMUJFWSA-N 1 2 300.366 0.937 10 0 DCAELO c1cnn(-c2cncc(NC[C@@H]3C[N@H+](C4CC4)CCO3)n2)c1 ZINC000066745836 396013844 /nfs/dbraw/zinc/01/38/44/396013844.db2.gz AVZBWHJBUOJHEW-CYBMUJFWSA-N 1 2 300.366 0.937 10 0 DCAELO CCN(CC)C(=O)CN(C)c1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000252321811 396019267 /nfs/dbraw/zinc/01/92/67/396019267.db2.gz ZBDUAKVJNZUYOH-ZDUSSCGKSA-N 1 2 321.425 0.742 10 0 DCAELO CCN(CC)C(=O)CN(C)c1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000252321811 396019268 /nfs/dbraw/zinc/01/92/68/396019268.db2.gz ZBDUAKVJNZUYOH-ZDUSSCGKSA-N 1 2 321.425 0.742 10 0 DCAELO C[C@H](CNC(=O)NC[C@@H](O)C1CCCCC1)[NH+]1CCOCC1 ZINC000170839125 396098598 /nfs/dbraw/zinc/09/85/98/396098598.db2.gz WHQSZWURVBKIFN-UKRRQHHQSA-N 1 2 313.442 0.948 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)c2csc(-c3cnccn3)n2)C1 ZINC000170853805 396098901 /nfs/dbraw/zinc/09/89/01/396098901.db2.gz LATABQWNGDEXPO-SNVBAGLBSA-N 1 2 319.390 0.661 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)c2csc(-c3cnccn3)n2)C1 ZINC000170853805 396098905 /nfs/dbraw/zinc/09/89/05/396098905.db2.gz LATABQWNGDEXPO-SNVBAGLBSA-N 1 2 319.390 0.661 10 0 DCAELO O=C(C[N@@H+]1CCO[C@H]2CCCC[C@@H]21)N1CCC2(CC1)OCCO2 ZINC000070693884 396103447 /nfs/dbraw/zinc/10/34/47/396103447.db2.gz GQGBOYHFENWZRO-GJZGRUSLSA-N 1 2 324.421 0.995 10 0 DCAELO O=C(C[N@H+]1CCO[C@H]2CCCC[C@@H]21)N1CCC2(CC1)OCCO2 ZINC000070693884 396103449 /nfs/dbraw/zinc/10/34/49/396103449.db2.gz GQGBOYHFENWZRO-GJZGRUSLSA-N 1 2 324.421 0.995 10 0 DCAELO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H](n3cncn3)C2)n(C)n1 ZINC000171617804 396120422 /nfs/dbraw/zinc/12/04/22/396120422.db2.gz VJGBKRLDOUWBPI-GFCCVEGCSA-N 1 2 303.370 0.596 10 0 DCAELO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H](n3cncn3)C2)n(C)n1 ZINC000171617804 396120423 /nfs/dbraw/zinc/12/04/23/396120423.db2.gz VJGBKRLDOUWBPI-GFCCVEGCSA-N 1 2 303.370 0.596 10 0 DCAELO C[C@H](CNC(=O)NCc1cccc(CO)c1)[NH+]1CCOCC1 ZINC000171620418 396120435 /nfs/dbraw/zinc/12/04/35/396120435.db2.gz QEHJZNSWUSHKTC-CYBMUJFWSA-N 1 2 307.394 0.699 10 0 DCAELO O=C(c1ccc2nccn2c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172768578 396133069 /nfs/dbraw/zinc/13/30/69/396133069.db2.gz QVJCKELHJUZIGW-AWEZNQCLSA-N 1 2 300.362 0.881 10 0 DCAELO CNC(=O)CNC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000076470962 396205128 /nfs/dbraw/zinc/20/51/28/396205128.db2.gz HMMZQPSRSOPRPK-NSHDSACASA-N 1 2 301.350 0.979 10 0 DCAELO CSc1ccccc1C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000176439400 396155628 /nfs/dbraw/zinc/15/56/28/396155628.db2.gz HQJCUHBGWVBOHT-LBPRGKRZSA-N 1 2 310.419 0.831 10 0 DCAELO CC(C)Cn1cc[nH+]c1CNC(=O)NCC1(O)CCOCC1 ZINC000074534665 396168692 /nfs/dbraw/zinc/16/86/92/396168692.db2.gz AYRGHIOEGBHVIA-UHFFFAOYSA-N 1 2 310.398 0.880 10 0 DCAELO O=C(NCCc1nnc2n1CCCCC2)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263075093 396200744 /nfs/dbraw/zinc/20/07/44/396200744.db2.gz WZLVCGCLZCLKRG-JTQLQIEISA-N 1 2 313.352 0.660 10 0 DCAELO C[C@@H](NC(=O)NCCCn1ccnn1)[C@H](C)[NH+]1CCOCC1 ZINC000182727007 396253299 /nfs/dbraw/zinc/25/32/99/396253299.db2.gz RJWULWUDCDBDNG-OLZOCXBDSA-N 1 2 310.402 0.077 10 0 DCAELO O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CCO[C@@H](CO)C1 ZINC000078895033 396257321 /nfs/dbraw/zinc/25/73/21/396257321.db2.gz ZGWDKRXZXBGIPJ-CQSZACIVSA-N 1 2 320.393 0.453 10 0 DCAELO CC(=O)N[C@H]1CCCN(C(=O)NC[C@H](C)[NH+]2CCOCC2)C1 ZINC000079252477 396263412 /nfs/dbraw/zinc/26/34/12/396263412.db2.gz MTSZUQTUYUGBNS-JSGCOSHPSA-N 1 2 312.414 0.017 10 0 DCAELO CC(C)CC(=O)N[C@@H](C(=O)N1CC[NH+](CCO)CC1)C(C)C ZINC000079833556 396270903 /nfs/dbraw/zinc/27/09/03/396270903.db2.gz LCRGTSKULOTVDA-OAHLLOKOSA-N 1 2 313.442 0.310 10 0 DCAELO COCCCNC(=O)C[N@H+](C)Cc1cc(-c2cnn(C)c2)no1 ZINC000184980135 396312884 /nfs/dbraw/zinc/31/28/84/396312884.db2.gz YGOSAGUFCVOIGQ-UHFFFAOYSA-N 1 2 321.381 0.660 10 0 DCAELO COCCCNC(=O)C[N@@H+](C)Cc1cc(-c2cnn(C)c2)no1 ZINC000184980135 396312886 /nfs/dbraw/zinc/31/28/86/396312886.db2.gz YGOSAGUFCVOIGQ-UHFFFAOYSA-N 1 2 321.381 0.660 10 0 DCAELO C[C@H](O)C(=O)N1CC[NH+](Cc2cc(-c3cnn(C)c3)no2)CC1 ZINC000185045255 396315088 /nfs/dbraw/zinc/31/50/88/396315088.db2.gz IDBPVMNETMNMKL-NSHDSACASA-N 1 2 319.365 0.100 10 0 DCAELO COCC(=O)NC1C[NH+](C[C@H](O)COCc2cccs2)C1 ZINC000185093524 396317528 /nfs/dbraw/zinc/31/75/28/396317528.db2.gz MZQRKAPHMGXYQD-LBPRGKRZSA-N 1 2 314.407 0.072 10 0 DCAELO O=C(C[N@@H+]1CCO[C@]2(CCOC2)C1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000185151005 396319587 /nfs/dbraw/zinc/31/95/87/396319587.db2.gz NMTTWBPGQHJHTJ-BFYDXBDKSA-N 1 2 324.421 0.648 10 0 DCAELO O=C(C[N@H+]1CCO[C@]2(CCOC2)C1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000185151005 396319590 /nfs/dbraw/zinc/31/95/90/396319590.db2.gz NMTTWBPGQHJHTJ-BFYDXBDKSA-N 1 2 324.421 0.648 10 0 DCAELO O=C(C[N@@H+]1CCO[C@]2(CCOC2)C1)NCc1ccccc1F ZINC000185142849 396319809 /nfs/dbraw/zinc/31/98/09/396319809.db2.gz WCVRCWVNWYFHGD-MRXNPFEDSA-N 1 2 308.353 0.933 10 0 DCAELO O=C(C[N@H+]1CCO[C@]2(CCOC2)C1)NCc1ccccc1F ZINC000185142849 396319813 /nfs/dbraw/zinc/31/98/13/396319813.db2.gz WCVRCWVNWYFHGD-MRXNPFEDSA-N 1 2 308.353 0.933 10 0 DCAELO O=C(CN1CCC[N@@H+](C[C@H](O)C(F)(F)F)CC1)N1CCCC1 ZINC000185178934 396320356 /nfs/dbraw/zinc/32/03/56/396320356.db2.gz VGBSPBABYSNRHF-LBPRGKRZSA-N 1 2 323.359 0.540 10 0 DCAELO O=C(CN1CCC[N@H+](C[C@H](O)C(F)(F)F)CC1)N1CCCC1 ZINC000185178934 396320360 /nfs/dbraw/zinc/32/03/60/396320360.db2.gz VGBSPBABYSNRHF-LBPRGKRZSA-N 1 2 323.359 0.540 10 0 DCAELO CCOCCONC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000184797625 396307343 /nfs/dbraw/zinc/30/73/43/396307343.db2.gz HQLNZDTYGLIWDH-UHFFFAOYSA-N 1 2 310.398 0.716 10 0 DCAELO C[C@H](NC(=O)N1CC(NC(=O)C2CC2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000187033799 396362388 /nfs/dbraw/zinc/36/23/88/396362388.db2.gz WPTIPYACJJTAPS-RYUDHWBXSA-N 1 2 324.425 0.016 10 0 DCAELO CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2cc(C)[nH]n2)CC1 ZINC000187258927 396365981 /nfs/dbraw/zinc/36/59/81/396365981.db2.gz KCWXICHPMYNETR-LLVKDONJSA-N 1 2 308.386 0.074 10 0 DCAELO O=C(CCn1cncn1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186381725 396348910 /nfs/dbraw/zinc/34/89/10/396348910.db2.gz LDSKJLPUPHWNHQ-UHFFFAOYSA-N 1 2 300.366 0.802 10 0 DCAELO NC(=O)CSCC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186414998 396349282 /nfs/dbraw/zinc/34/92/82/396349282.db2.gz OHNDKWZXLMXVOK-UHFFFAOYSA-N 1 2 308.407 0.339 10 0 DCAELO C[C@H]1C[N@H+](Cc2cn(C)nc2-c2cccnc2)CCN1CCO ZINC000190244195 396403469 /nfs/dbraw/zinc/40/34/69/396403469.db2.gz PHFPJXSSKJKZII-AWEZNQCLSA-N 1 2 315.421 0.981 10 0 DCAELO C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2cccnc2)CCN1CCO ZINC000190244195 396403471 /nfs/dbraw/zinc/40/34/71/396403471.db2.gz PHFPJXSSKJKZII-AWEZNQCLSA-N 1 2 315.421 0.981 10 0 DCAELO Cn1ccc(N2CCC[C@H]([N@@H+]3CCCN(C)C(=O)C3)C2=O)n1 ZINC000191091446 396415160 /nfs/dbraw/zinc/41/51/60/396415160.db2.gz OJTWWRYIOFKBNX-LBPRGKRZSA-N 1 2 305.382 0.080 10 0 DCAELO Cn1ccc(N2CCC[C@H]([N@H+]3CCCN(C)C(=O)C3)C2=O)n1 ZINC000191091446 396415161 /nfs/dbraw/zinc/41/51/61/396415161.db2.gz OJTWWRYIOFKBNX-LBPRGKRZSA-N 1 2 305.382 0.080 10 0 DCAELO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CC(=O)NC1CCOCC1 ZINC000191201590 396416607 /nfs/dbraw/zinc/41/66/07/396416607.db2.gz YJHWSQAXUZAOQK-KYOSRNDESA-N 1 2 310.394 0.555 10 0 DCAELO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CC(=O)NC1CCOCC1 ZINC000191201590 396416609 /nfs/dbraw/zinc/41/66/09/396416609.db2.gz YJHWSQAXUZAOQK-KYOSRNDESA-N 1 2 310.394 0.555 10 0 DCAELO CC(C)[C@@H]([NH2+]Cc1nc(N(C)C)no1)C(=O)N1CCOCC1 ZINC000192784547 396437277 /nfs/dbraw/zinc/43/72/77/396437277.db2.gz AIQCIEFYYBAKPM-GFCCVEGCSA-N 1 2 311.386 0.109 10 0 DCAELO CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)c1ncc2c(F)cccn21 ZINC000633917003 396742862 /nfs/dbraw/zinc/74/28/62/396742862.db2.gz UPPJCXPMJLNRSX-NSHDSACASA-N 1 2 306.341 0.876 10 0 DCAELO CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)c1ncc2c(F)cccn21 ZINC000633917003 396742864 /nfs/dbraw/zinc/74/28/64/396742864.db2.gz UPPJCXPMJLNRSX-NSHDSACASA-N 1 2 306.341 0.876 10 0 DCAELO Cc1nc(CN2C[C@@H](F)C[C@H]2C[N@@H+](C)[C@@H]2CCOC2=O)no1 ZINC000328629433 396826734 /nfs/dbraw/zinc/82/67/34/396826734.db2.gz IFIDXYPNAMTUEP-SDDRHHMPSA-N 1 2 312.345 0.538 10 0 DCAELO Cc1nc(CN2C[C@@H](F)C[C@H]2C[N@H+](C)[C@@H]2CCOC2=O)no1 ZINC000328629433 396826742 /nfs/dbraw/zinc/82/67/42/396826742.db2.gz IFIDXYPNAMTUEP-SDDRHHMPSA-N 1 2 312.345 0.538 10 0 DCAELO C[C@@H]1C[C@H](C)CN(S(=O)(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000376714448 396966983 /nfs/dbraw/zinc/96/69/83/396966983.db2.gz BRBNGOYFVDMWLM-FRRDWIJNSA-N 1 2 305.444 0.129 10 0 DCAELO C[C@@H]1C[C@H](C)CN(S(=O)(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000376714448 396966986 /nfs/dbraw/zinc/96/69/86/396966986.db2.gz BRBNGOYFVDMWLM-FRRDWIJNSA-N 1 2 305.444 0.129 10 0 DCAELO CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC000618754140 397022612 /nfs/dbraw/zinc/02/26/12/397022612.db2.gz DENGGLDKXIKRRW-NWDGAFQWSA-N 1 2 324.381 0.236 10 0 DCAELO CC1(C)[C@@H](O)C[C@@H]1NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000573103384 397135031 /nfs/dbraw/zinc/13/50/31/397135031.db2.gz BUIOVAVANXBCCV-QWRGUYRKSA-N 1 2 302.334 0.548 10 0 DCAELO Cn1cc[nH+]c1[C@H]1CCCN1C(=O)C1=NN(CCO)C(=O)CC1 ZINC000370357825 397475093 /nfs/dbraw/zinc/47/50/93/397475093.db2.gz MMRYBGNRBYNRRK-GFCCVEGCSA-N 1 2 319.365 0.054 10 0 DCAELO CC(=O)NCCNC(=O)CCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000605306218 397663149 /nfs/dbraw/zinc/66/31/49/397663149.db2.gz JBNXZCQFYULOPB-UHFFFAOYSA-N 1 2 317.349 0.305 10 0 DCAELO O=C(NCCCN1C(=O)CCC1=O)Nc1ccc2[nH+]ccn2c1 ZINC000606580475 397684020 /nfs/dbraw/zinc/68/40/20/397684020.db2.gz QIDBGBQNHLHXSO-UHFFFAOYSA-N 1 2 315.333 0.995 10 0 DCAELO COc1ccc(CN2CCC[N@@H+]([C@H]3CCNC3=O)CC2=O)cc1 ZINC000274325024 286304879 /nfs/dbraw/zinc/30/48/79/286304879.db2.gz DCGYTYBRSMKEHI-HNNXBMFYSA-N 1 2 317.389 0.618 10 0 DCAELO COc1ccc(CN2CCC[N@H+]([C@H]3CCNC3=O)CC2=O)cc1 ZINC000274325024 286304880 /nfs/dbraw/zinc/30/48/80/286304880.db2.gz DCGYTYBRSMKEHI-HNNXBMFYSA-N 1 2 317.389 0.618 10 0 DCAELO C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+]1CCNC(=O)CC1 ZINC000054259103 158020600 /nfs/dbraw/zinc/02/06/00/158020600.db2.gz DQDUMOIWPYIMGX-LBPRGKRZSA-N 1 2 318.377 0.223 10 0 DCAELO C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1CCNC(=O)CC1 ZINC000054259103 158020603 /nfs/dbraw/zinc/02/06/03/158020603.db2.gz DQDUMOIWPYIMGX-LBPRGKRZSA-N 1 2 318.377 0.223 10 0 DCAELO COC(=O)[C@H]1C[N@H+](CC(=O)N(C(C)C)C(C)C)C[C@@H](C)O1 ZINC000123239825 158228392 /nfs/dbraw/zinc/22/83/92/158228392.db2.gz YNJFLAQHOYKNJM-CHWSQXEVSA-N 1 2 300.399 0.894 10 0 DCAELO COC(=O)[C@H]1C[N@@H+](CC(=O)N(C(C)C)C(C)C)C[C@@H](C)O1 ZINC000123239825 158228393 /nfs/dbraw/zinc/22/83/93/158228393.db2.gz YNJFLAQHOYKNJM-CHWSQXEVSA-N 1 2 300.399 0.894 10 0 DCAELO CC(=O)N1CCC[C@@H](C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000127407735 158272581 /nfs/dbraw/zinc/27/25/81/158272581.db2.gz UXYVMQHUKVNAQP-UKRRQHHQSA-N 1 2 309.410 0.224 10 0 DCAELO CC(=O)N1CCC[C@@H](C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000127407735 158272586 /nfs/dbraw/zinc/27/25/86/158272586.db2.gz UXYVMQHUKVNAQP-UKRRQHHQSA-N 1 2 309.410 0.224 10 0 DCAELO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](Cc2cn3cccnc3n2)C1 ZINC000134337303 158325831 /nfs/dbraw/zinc/32/58/31/158325831.db2.gz ZLFQISFKQXFZMY-CYBMUJFWSA-N 1 2 323.422 0.631 10 0 DCAELO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cn3cccnc3n2)C1 ZINC000134337303 158325833 /nfs/dbraw/zinc/32/58/33/158325833.db2.gz ZLFQISFKQXFZMY-CYBMUJFWSA-N 1 2 323.422 0.631 10 0 DCAELO C[C@@H](O)C[C@@H]1COCCN1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000134703608 158330213 /nfs/dbraw/zinc/33/02/13/158330213.db2.gz UBGVQUQQXDCQDA-TZMCWYRMSA-N 1 2 322.409 0.829 10 0 DCAELO Cc1nn(C)c(C)c1CC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172757167 158399673 /nfs/dbraw/zinc/39/96/73/158399673.db2.gz OALBGSNRACZZIE-AWEZNQCLSA-N 1 2 306.410 0.513 10 0 DCAELO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1csc(C(F)(F)F)n1 ZINC000193629379 158587977 /nfs/dbraw/zinc/58/79/77/158587977.db2.gz SAVFXDUBHSSAGW-QMMMGPOBSA-N 1 2 320.340 0.892 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(S(=O)(=O)CC3CCOCC3)C[C@@H]21 ZINC000328877311 159036691 /nfs/dbraw/zinc/03/66/91/159036691.db2.gz KNFKPVOQQSWUKV-KBPBESRZSA-N 1 2 318.439 0.148 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(S(=O)(=O)CC3CCOCC3)C[C@@H]21 ZINC000328877311 159036693 /nfs/dbraw/zinc/03/66/93/159036693.db2.gz KNFKPVOQQSWUKV-KBPBESRZSA-N 1 2 318.439 0.148 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cn(C(C)(C)C)nn3)C[C@@H]21 ZINC000328875895 159037314 /nfs/dbraw/zinc/03/73/14/159037314.db2.gz JYDWMVZKDHHWGB-STQMWFEESA-N 1 2 307.398 0.578 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)c3cn(C(C)(C)C)nn3)C[C@@H]21 ZINC000328875895 159037315 /nfs/dbraw/zinc/03/73/15/159037315.db2.gz JYDWMVZKDHHWGB-STQMWFEESA-N 1 2 307.398 0.578 10 0 DCAELO Cc1nn(C)c(C)c1OCC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000328900064 159038826 /nfs/dbraw/zinc/03/88/26/159038826.db2.gz XYBJCTHSNVIPIW-KGLIPLIRSA-N 1 2 322.409 0.347 10 0 DCAELO Cc1nn(C)c(C)c1OCC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000328900064 159038828 /nfs/dbraw/zinc/03/88/28/159038828.db2.gz XYBJCTHSNVIPIW-KGLIPLIRSA-N 1 2 322.409 0.347 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(Cc3nnnn3CC(F)(F)F)C[C@@H]21 ZINC000328926896 159042595 /nfs/dbraw/zinc/04/25/95/159042595.db2.gz WSFRUBCHISBPFZ-VHSXEESVSA-N 1 2 320.319 0.140 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(Cc3nnnn3CC(F)(F)F)C[C@@H]21 ZINC000328926896 159042598 /nfs/dbraw/zinc/04/25/98/159042598.db2.gz WSFRUBCHISBPFZ-VHSXEESVSA-N 1 2 320.319 0.140 10 0 DCAELO CN1CCO[C@@H]2CC[N@H+](Cc3nnnn3CC(F)(F)F)C[C@@H]21 ZINC000328926896 159042599 /nfs/dbraw/zinc/04/25/99/159042599.db2.gz WSFRUBCHISBPFZ-VHSXEESVSA-N 1 2 320.319 0.140 10 0 DCAELO CN1CCO[C@@H]2CC[N@@H+](Cc3nnnn3CC(F)(F)F)C[C@@H]21 ZINC000328926896 159042602 /nfs/dbraw/zinc/04/26/02/159042602.db2.gz WSFRUBCHISBPFZ-VHSXEESVSA-N 1 2 320.319 0.140 10 0 DCAELO Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000328990884 159050182 /nfs/dbraw/zinc/05/01/82/159050182.db2.gz VHSUCOIBCKADER-YIYPIFLZSA-N 1 2 320.393 0.039 10 0 DCAELO Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000328990884 159050183 /nfs/dbraw/zinc/05/01/83/159050183.db2.gz VHSUCOIBCKADER-YIYPIFLZSA-N 1 2 320.393 0.039 10 0 DCAELO Cc1nnc(CN2CC[NH+](Cc3cnn(C)c3)CC2)n1C1CC1 ZINC000329190990 159071400 /nfs/dbraw/zinc/07/14/00/159071400.db2.gz REXCUBDDXMYYSP-UHFFFAOYSA-N 1 2 315.425 0.973 10 0 DCAELO COCC1(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)CCOCC1 ZINC000329744515 159116608 /nfs/dbraw/zinc/11/66/08/159116608.db2.gz XUBLJMQMIZRAJI-UONOGXRCSA-N 1 2 312.410 0.361 10 0 DCAELO COCC1(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)CCOCC1 ZINC000329744515 159116609 /nfs/dbraw/zinc/11/66/09/159116609.db2.gz XUBLJMQMIZRAJI-UONOGXRCSA-N 1 2 312.410 0.361 10 0 DCAELO CC(C)CN(C(=O)C[N@@H+]1CC[C@@H]2OCC(=O)N[C@@H]2C1)C1CC1 ZINC000366813758 159289526 /nfs/dbraw/zinc/28/95/26/159289526.db2.gz VNKJGLCFBJGYHK-KGLIPLIRSA-N 1 2 309.410 0.223 10 0 DCAELO CC(C)CN(C(=O)C[N@H+]1CC[C@@H]2OCC(=O)N[C@@H]2C1)C1CC1 ZINC000366813758 159289528 /nfs/dbraw/zinc/28/95/28/159289528.db2.gz VNKJGLCFBJGYHK-KGLIPLIRSA-N 1 2 309.410 0.223 10 0 DCAELO COCCN1CN(C(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)CC1=O ZINC000367026846 159306104 /nfs/dbraw/zinc/30/61/04/159306104.db2.gz OMLSLHLFAFGVTI-HNNXBMFYSA-N 1 2 317.389 0.536 10 0 DCAELO COCCN1CN(C(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)CC1=O ZINC000367026846 159306110 /nfs/dbraw/zinc/30/61/10/159306110.db2.gz OMLSLHLFAFGVTI-HNNXBMFYSA-N 1 2 317.389 0.536 10 0 DCAELO COC(=O)C1CCN(C(=O)[C@@H](C)[N@@H+]2CCC(=O)[C@H](C)C2)CC1 ZINC000407986313 160003952 /nfs/dbraw/zinc/00/39/52/160003952.db2.gz SPJRPBLVEDEDDL-VXGBXAGGSA-N 1 2 310.394 0.697 10 0 DCAELO COC(=O)C1CCN(C(=O)[C@@H](C)[N@H+]2CCC(=O)[C@H](C)C2)CC1 ZINC000407986313 160003953 /nfs/dbraw/zinc/00/39/53/160003953.db2.gz SPJRPBLVEDEDDL-VXGBXAGGSA-N 1 2 310.394 0.697 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)NC2CCCC2)[C@H](C)C1 ZINC000408010366 160010760 /nfs/dbraw/zinc/01/07/60/160010760.db2.gz UXRPKMAAGKJNQA-NEPJUHHUSA-N 1 2 305.444 0.150 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)NC2CCCC2)[C@H](C)C1 ZINC000408010366 160010762 /nfs/dbraw/zinc/01/07/62/160010762.db2.gz UXRPKMAAGKJNQA-NEPJUHHUSA-N 1 2 305.444 0.150 10 0 DCAELO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)C1 ZINC000408031349 160017127 /nfs/dbraw/zinc/01/71/27/160017127.db2.gz SWHMPUVCCCESFX-MCIONIFRSA-N 1 2 309.410 0.176 10 0 DCAELO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)C1 ZINC000408031349 160017130 /nfs/dbraw/zinc/01/71/30/160017130.db2.gz SWHMPUVCCCESFX-MCIONIFRSA-N 1 2 309.410 0.176 10 0 DCAELO CC(=O)N1CCC[C@@](O)(C(=O)NCc2cn3c([nH+]2)CCCC3)C1 ZINC000408046171 160021481 /nfs/dbraw/zinc/02/14/81/160021481.db2.gz AZQTYTNIQZNOGX-INIZCTEOSA-N 1 2 320.393 0.209 10 0 DCAELO C[C@@H]1CC(C(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)C[C@@H](C)O1 ZINC000408078010 160030947 /nfs/dbraw/zinc/03/09/47/160030947.db2.gz FVGYPEVELQVNTL-VXGBXAGGSA-N 1 2 311.426 0.598 10 0 DCAELO Cc1cc(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)nc(C)n1 ZINC000408198955 160058597 /nfs/dbraw/zinc/05/85/97/160058597.db2.gz PNDQQQIPBVFQCP-ABAIWWIYSA-N 1 2 304.394 0.886 10 0 DCAELO CC[C@@H]1C[C@H](C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CC(=O)N1 ZINC000408206771 160060194 /nfs/dbraw/zinc/06/01/94/160060194.db2.gz UQKJOJXXKXHGIB-BFHYXJOUSA-N 1 2 309.410 0.224 10 0 DCAELO C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CC[N@H+](CCO)[C@H](C)C2)C1 ZINC000408367811 160093146 /nfs/dbraw/zinc/09/31/46/160093146.db2.gz YIIQOFZNBSDEIB-HZSPNIEDSA-N 1 2 319.471 0.208 10 0 DCAELO C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CC[N@@H+](CCO)[C@H](C)C2)C1 ZINC000408367811 160093148 /nfs/dbraw/zinc/09/31/48/160093148.db2.gz YIIQOFZNBSDEIB-HZSPNIEDSA-N 1 2 319.471 0.208 10 0 DCAELO Cn1cc[nH+]c1[C@@H]1CN(C(=O)Nc2ccnn2C)CCN1C ZINC000408393217 160099342 /nfs/dbraw/zinc/09/93/42/160099342.db2.gz HRCUVNVUERUUPA-NSHDSACASA-N 1 2 303.370 0.674 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)[C@@H]2CCO[C@H](C)C2)C[C@@H]1C ZINC000408460154 160112761 /nfs/dbraw/zinc/11/27/61/160112761.db2.gz MAXIGUSGPDNWSH-IGQOVBAYSA-N 1 2 320.455 0.271 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)[C@@H]2CCO[C@H](C)C2)C[C@@H]1C ZINC000408460154 160112764 /nfs/dbraw/zinc/11/27/64/160112764.db2.gz MAXIGUSGPDNWSH-IGQOVBAYSA-N 1 2 320.455 0.271 10 0 DCAELO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N(C)Cc1nc[nH]n1 ZINC000408473827 160116042 /nfs/dbraw/zinc/11/60/42/160116042.db2.gz LDIPUZSQTFVQKH-VXGBXAGGSA-N 1 2 300.366 0.931 10 0 DCAELO COCCN1C[C@H](C(=O)N(C)c2ccc[nH+]c2N(C)C)CC1=O ZINC000079725977 286925230 /nfs/dbraw/zinc/92/52/30/286925230.db2.gz YKLINEXBORLENF-GFCCVEGCSA-N 1 2 320.393 0.605 10 0 DCAELO CN1CC[C@@H]([NH+]2CCN(Cc3nccn3C(F)F)CC2)C1=O ZINC000081609927 286929585 /nfs/dbraw/zinc/92/95/85/286929585.db2.gz JFGAWAXAICOGND-LLVKDONJSA-N 1 2 313.352 0.627 10 0 DCAELO CC[C@H]1C[N@@H+]([C@H](C)C(=O)NCC(=O)OC)CCN1CC(F)F ZINC000245736777 287072617 /nfs/dbraw/zinc/07/26/17/287072617.db2.gz KPLSNVBTRJNPHM-MNOVXSKESA-N 1 2 321.368 0.325 10 0 DCAELO CC[C@H]1C[N@H+]([C@H](C)C(=O)NCC(=O)OC)CCN1CC(F)F ZINC000245736777 287072619 /nfs/dbraw/zinc/07/26/19/287072619.db2.gz KPLSNVBTRJNPHM-MNOVXSKESA-N 1 2 321.368 0.325 10 0 DCAELO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000333131493 287096109 /nfs/dbraw/zinc/09/61/09/287096109.db2.gz HZHFRDMCWHZBKP-MQYQWHSLSA-N 1 2 302.440 0.503 10 0 DCAELO CCCC[N@H+](CC(N)=O)CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000249722385 287117665 /nfs/dbraw/zinc/11/76/65/287117665.db2.gz NMIFUYBPFLFFEP-ZIAGYGMSSA-N 1 2 311.426 0.744 10 0 DCAELO CCCC[N@@H+](CC(N)=O)CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000249722385 287117668 /nfs/dbraw/zinc/11/76/68/287117668.db2.gz NMIFUYBPFLFFEP-ZIAGYGMSSA-N 1 2 311.426 0.744 10 0 DCAELO CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000375116623 287227188 /nfs/dbraw/zinc/22/71/88/287227188.db2.gz WHHQQBDAQGAWNK-WFASDCNBSA-N 1 2 313.398 0.348 10 0 DCAELO CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000375116623 287227191 /nfs/dbraw/zinc/22/71/91/287227191.db2.gz WHHQQBDAQGAWNK-WFASDCNBSA-N 1 2 313.398 0.348 10 0 DCAELO CC(C)[C@@H]1NC(=O)[C@H]2C[N@H+](Cc3ccncc3)CCN2C1=O ZINC000014533081 415150977 /nfs/dbraw/zinc/15/09/77/415150977.db2.gz HGFLNRYFVPZTQH-KGLIPLIRSA-N 1 2 302.378 0.249 10 0 DCAELO CC(C)[C@@H]1NC(=O)[C@H]2C[N@@H+](Cc3ccncc3)CCN2C1=O ZINC000014533081 415150985 /nfs/dbraw/zinc/15/09/85/415150985.db2.gz HGFLNRYFVPZTQH-KGLIPLIRSA-N 1 2 302.378 0.249 10 0 DCAELO c1ccc(-n2nnnc2NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc1 ZINC000066745682 415364993 /nfs/dbraw/zinc/36/49/93/415364993.db2.gz JGQKGIWQBSUBHU-CQSZACIVSA-N 1 2 300.366 0.937 10 0 DCAELO c1ccc(-n2nnnc2NC[C@@H]2C[N@H+](C3CC3)CCO2)cc1 ZINC000066745682 415364999 /nfs/dbraw/zinc/36/49/99/415364999.db2.gz JGQKGIWQBSUBHU-CQSZACIVSA-N 1 2 300.366 0.937 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)NCC3(C)CCOCC3)C[C@H]21 ZINC000332758779 415465393 /nfs/dbraw/zinc/46/53/93/415465393.db2.gz OMGMSXBUIYUZJH-KGLIPLIRSA-N 1 2 311.426 0.918 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)NCC3(C)CCOCC3)C[C@H]21 ZINC000332758779 415465398 /nfs/dbraw/zinc/46/53/98/415465398.db2.gz OMGMSXBUIYUZJH-KGLIPLIRSA-N 1 2 311.426 0.918 10 0 DCAELO Cn1ncc2c1nc(N1CCC(O)(C(F)(F)F)CC1)[nH+]c2N ZINC000276318751 415471785 /nfs/dbraw/zinc/47/17/85/415471785.db2.gz TZXGISJQKRRMHX-UHFFFAOYSA-N 1 2 316.287 0.839 10 0 DCAELO CCc1ncc(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)cn1 ZINC000285823253 415620117 /nfs/dbraw/zinc/62/01/17/415620117.db2.gz FKJLIBOJYXGARF-STQMWFEESA-N 1 2 305.382 0.976 10 0 DCAELO CCc1ncc(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)cn1 ZINC000285823253 415620124 /nfs/dbraw/zinc/62/01/24/415620124.db2.gz FKJLIBOJYXGARF-STQMWFEESA-N 1 2 305.382 0.976 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)c2cc(Br)c[nH]2)C1 ZINC000110483932 415686170 /nfs/dbraw/zinc/68/61/70/415686170.db2.gz LDTNCUGAUJIPLQ-SECBINFHSA-N 1 2 302.172 0.838 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)c2cc(Br)c[nH]2)C1 ZINC000110483932 415686175 /nfs/dbraw/zinc/68/61/75/415686175.db2.gz LDTNCUGAUJIPLQ-SECBINFHSA-N 1 2 302.172 0.838 10 0 DCAELO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2cccs2)C[C@H]1C ZINC000122398121 415833487 /nfs/dbraw/zinc/83/34/87/415833487.db2.gz MEDBJLVUWSWRLY-GHMZBOCLSA-N 1 2 304.437 0.824 10 0 DCAELO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2cccs2)C[C@H]1C ZINC000122398121 415833490 /nfs/dbraw/zinc/83/34/90/415833490.db2.gz MEDBJLVUWSWRLY-GHMZBOCLSA-N 1 2 304.437 0.824 10 0 DCAELO CCNC(=O)C(C)(C)CNC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000123878491 415846866 /nfs/dbraw/zinc/84/68/66/415846866.db2.gz JZAKQGVXAGXJTG-GFCCVEGCSA-N 1 2 314.430 0.169 10 0 DCAELO COC[C@H]1C[C@H](OC)C[N@@H+]1Cc1nnnn1-c1ccccc1 ZINC000344366217 415896589 /nfs/dbraw/zinc/89/65/89/415896589.db2.gz LMFGFGMCLIWOSC-KGLIPLIRSA-N 1 2 303.366 0.898 10 0 DCAELO COC[C@H]1C[C@H](OC)C[N@H+]1Cc1nnnn1-c1ccccc1 ZINC000344366217 415896598 /nfs/dbraw/zinc/89/65/98/415896598.db2.gz LMFGFGMCLIWOSC-KGLIPLIRSA-N 1 2 303.366 0.898 10 0 DCAELO C[C@H](C(=O)NC[C@@H](O)C[NH+]1CCOCC1)c1cccc(F)c1 ZINC000132763276 415934732 /nfs/dbraw/zinc/93/47/32/415934732.db2.gz MGEHXTPDYAKMSY-SWLSCSKDSA-N 1 2 310.369 0.739 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)CC(=O)N(C)C)nc[nH+]1 ZINC000173418319 416059032 /nfs/dbraw/zinc/05/90/32/416059032.db2.gz QVVTYNRJPSKEIY-LLVKDONJSA-N 1 2 320.397 0.082 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)CC(=O)N(C)C)[nH+]cn1 ZINC000173418319 416059034 /nfs/dbraw/zinc/05/90/34/416059034.db2.gz QVVTYNRJPSKEIY-LLVKDONJSA-N 1 2 320.397 0.082 10 0 DCAELO CC(C)([NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1)c1nccs1 ZINC000173423805 416059329 /nfs/dbraw/zinc/05/93/29/416059329.db2.gz DEILFFVKOTVIJF-JTQLQIEISA-N 1 2 310.423 0.692 10 0 DCAELO COc1cccc(CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)n1 ZINC000173906958 416066681 /nfs/dbraw/zinc/06/66/81/416066681.db2.gz VKKQUTQDWJVAFD-CQSZACIVSA-N 1 2 320.393 0.706 10 0 DCAELO CCn1cc(NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)ccc1=O ZINC000173873801 416067653 /nfs/dbraw/zinc/06/76/53/416067653.db2.gz WGJYHMDISKDGJT-AWEZNQCLSA-N 1 2 320.393 0.807 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000170683593 416029312 /nfs/dbraw/zinc/02/93/12/416029312.db2.gz IYDMYFWOXGCCLA-GFCCVEGCSA-N 1 2 311.769 0.725 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000170683593 416029316 /nfs/dbraw/zinc/02/93/16/416029316.db2.gz IYDMYFWOXGCCLA-GFCCVEGCSA-N 1 2 311.769 0.725 10 0 DCAELO Cc1noc(-c2ccnc(NC[C@@H](O)C[NH+]3CCOCC3)c2)n1 ZINC000301722030 416090345 /nfs/dbraw/zinc/09/03/45/416090345.db2.gz KCIBDILAVZLZSN-CYBMUJFWSA-N 1 2 319.365 0.545 10 0 DCAELO C[C@@H](CNC(=O)NC[C@](C)(O)c1ccco1)[NH+]1CCOCC1 ZINC000175006840 416094378 /nfs/dbraw/zinc/09/43/78/416094378.db2.gz GVWRAAVLRWCEAZ-WFASDCNBSA-N 1 2 311.382 0.507 10 0 DCAELO C[C@H](CNC(=O)NCC(C)(C)C[C@H](C)O)[NH+]1CCOCC1 ZINC000175004099 416094974 /nfs/dbraw/zinc/09/49/74/416094974.db2.gz WHJREHLKZWCQFW-OLZOCXBDSA-N 1 2 301.431 0.803 10 0 DCAELO CC(C)c1nc(N2CCN([C@H](C)C(N)=O)CC2)nc(N(C)C)[nH+]1 ZINC000301947130 416098254 /nfs/dbraw/zinc/09/82/54/416098254.db2.gz HJSIYLBBAKMPNC-LLVKDONJSA-N 1 2 321.429 0.057 10 0 DCAELO Cc1nc(NCCc2cn(C)c[nH+]2)sc1S(N)(=O)=O ZINC000313465908 416107400 /nfs/dbraw/zinc/10/74/00/416107400.db2.gz DYEYXQMPPDRXEI-UHFFFAOYSA-N 1 2 301.397 0.487 10 0 DCAELO CCN1CCN(C(=O)Nc2ccn(C)n2)C[C@H]1c1[nH+]ccn1C ZINC000328617681 416123275 /nfs/dbraw/zinc/12/32/75/416123275.db2.gz CZQNECUCYIBCOX-LBPRGKRZSA-N 1 2 317.397 1.064 10 0 DCAELO CN(C[C@H]1CCn2cc[nH+]c2C1)C(=O)Cn1ccccc1=O ZINC000328617635 416123742 /nfs/dbraw/zinc/12/37/42/416123742.db2.gz CYDFZIBIHYELPW-ZDUSSCGKSA-N 1 2 300.362 0.766 10 0 DCAELO O=C(NCCN1C(=O)CCC1=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177520311 416146774 /nfs/dbraw/zinc/14/67/74/416146774.db2.gz MILIJUJXDQGLDV-GFCCVEGCSA-N 1 2 319.365 0.206 10 0 DCAELO O=C(CSc1ccc(O)cc1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178969365 416179138 /nfs/dbraw/zinc/17/91/38/416179138.db2.gz VNNLAHHVWBZGGK-GFCCVEGCSA-N 1 2 307.419 0.600 10 0 DCAELO O=C(CSc1ccc(O)cc1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178969373 416179197 /nfs/dbraw/zinc/17/91/97/416179197.db2.gz VNNLAHHVWBZGGK-LBPRGKRZSA-N 1 2 307.419 0.600 10 0 DCAELO O=c1nc(C[N@H+]2C[C@H](O)C[C@@H]2CO)[nH]c2sc3c(c21)CCC3 ZINC000179169501 416182355 /nfs/dbraw/zinc/18/23/55/416182355.db2.gz CGNXZEAFTBSPLQ-RKDXNWHRSA-N 1 2 321.402 0.401 10 0 DCAELO O=c1nc(C[N@@H+]2C[C@H](O)C[C@@H]2CO)[nH]c2sc3c(c21)CCC3 ZINC000179169501 416182358 /nfs/dbraw/zinc/18/23/58/416182358.db2.gz CGNXZEAFTBSPLQ-RKDXNWHRSA-N 1 2 321.402 0.401 10 0 DCAELO COCCCOCC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000181126259 416205091 /nfs/dbraw/zinc/20/50/91/416205091.db2.gz LPFBNXULGJLKOU-ZIAGYGMSSA-N 1 2 300.399 0.219 10 0 DCAELO O=S(=O)(CC1CCCC1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000178344652 416163252 /nfs/dbraw/zinc/16/32/52/416163252.db2.gz VCSVCNUAGJZUBP-AWEZNQCLSA-N 1 2 302.440 0.959 10 0 DCAELO O=S(=O)(CC1CCCC1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000178344652 416163257 /nfs/dbraw/zinc/16/32/57/416163257.db2.gz VCSVCNUAGJZUBP-AWEZNQCLSA-N 1 2 302.440 0.959 10 0 DCAELO COC(=O)[C@@H]1C[N@H+](Cc2cc(-c3cnn(C)c3)no2)C[C@@H](C)O1 ZINC000185024591 416251795 /nfs/dbraw/zinc/25/17/95/416251795.db2.gz BPMOHXXPFGNOCV-YGRLFVJLSA-N 1 2 320.349 0.837 10 0 DCAELO COC(=O)[C@@H]1C[N@@H+](Cc2cc(-c3cnn(C)c3)no2)C[C@@H](C)O1 ZINC000185024591 416251797 /nfs/dbraw/zinc/25/17/97/416251797.db2.gz BPMOHXXPFGNOCV-YGRLFVJLSA-N 1 2 320.349 0.837 10 0 DCAELO C[C@H]1C[NH+]=C(N2CCN(C(=O)CCc3ccnn3C)CC2)S1 ZINC000187233454 416259902 /nfs/dbraw/zinc/25/99/02/416259902.db2.gz LPNWERNRUYUEEF-LBPRGKRZSA-N 1 2 321.450 0.988 10 0 DCAELO O=C(N[C@@H]1C[C@@H]2OCCC[C@@H]12)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000188042076 416262964 /nfs/dbraw/zinc/26/29/64/416262964.db2.gz ODOAOZRABYXHPR-XQLPTFJDSA-N 1 2 309.410 0.670 10 0 DCAELO CC(C)OCC[NH+]1CCN(S(=O)(=O)[C@H]2CCO[C@@H]2C)CC1 ZINC000190204614 416276426 /nfs/dbraw/zinc/27/64/26/416276426.db2.gz DAKNXQXCQQVXEP-KGLIPLIRSA-N 1 2 320.455 0.536 10 0 DCAELO C[C@@H]1C[N@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)C[C@H](CO)O1 ZINC000190131108 416276462 /nfs/dbraw/zinc/27/64/62/416276462.db2.gz SSLAUYGTPCSNPG-GRYCIOLGSA-N 1 2 324.343 0.869 10 0 DCAELO C[C@@H]1C[N@@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)C[C@H](CO)O1 ZINC000190131108 416276465 /nfs/dbraw/zinc/27/64/65/416276465.db2.gz SSLAUYGTPCSNPG-GRYCIOLGSA-N 1 2 324.343 0.869 10 0 DCAELO COc1ccccc1COC[C@@H](O)C[NH+]1CC(NC(C)=O)C1 ZINC000191731306 416287852 /nfs/dbraw/zinc/28/78/52/416287852.db2.gz RQQDAHPCTQYNJT-HNNXBMFYSA-N 1 2 308.378 0.393 10 0 DCAELO Cn1cc(NC(=O)NCC(C)(C)[NH+]2CCOCC2)ccc1=O ZINC000194732484 416324069 /nfs/dbraw/zinc/32/40/69/416324069.db2.gz QIPTWDCSIAABTI-UHFFFAOYSA-N 1 2 308.382 0.618 10 0 DCAELO Cc1csc2c1ncn(C[C@@H](O)C[NH+]1CCOCC1)c2=O ZINC000195253114 416325876 /nfs/dbraw/zinc/32/58/76/416325876.db2.gz XSDXLMXPQHSDJD-NSHDSACASA-N 1 2 309.391 0.460 10 0 DCAELO COC(=O)[C@@](C)(O)CNC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000360183040 416377800 /nfs/dbraw/zinc/37/78/00/416377800.db2.gz ZAVNUMXLJFNISN-HWPZZCPQSA-N 1 2 323.393 0.678 10 0 DCAELO COC(=O)[C@@](C)(O)CNC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000360183040 416377801 /nfs/dbraw/zinc/37/78/01/416377801.db2.gz ZAVNUMXLJFNISN-HWPZZCPQSA-N 1 2 323.393 0.678 10 0 DCAELO NS(=O)(=O)c1cnc(NCc2cn3c([nH+]2)CCCC3)s1 ZINC000588897786 416525301 /nfs/dbraw/zinc/52/53/01/416525301.db2.gz KTQRMQMAUBSSAM-UHFFFAOYSA-N 1 2 313.408 0.935 10 0 DCAELO COC(=O)[C@](C)([NH2+]C[C@@H](O)COC[C@@H]1CCCO1)C1CC1 ZINC000536605961 416545815 /nfs/dbraw/zinc/54/58/15/416545815.db2.gz VDSOXJQLJXQAQN-VNHYZAJKSA-N 1 2 301.383 0.474 10 0 DCAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC000370121635 416887868 /nfs/dbraw/zinc/88/78/68/416887868.db2.gz LMGCUOXMRQLHLF-CJNGLKHVSA-N 1 2 309.410 0.226 10 0 DCAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC000370121635 416887875 /nfs/dbraw/zinc/88/78/75/416887875.db2.gz LMGCUOXMRQLHLF-CJNGLKHVSA-N 1 2 309.410 0.226 10 0 DCAELO Cn1cc[nH+]c1[C@H]1CN(c2cc(=O)n3ccccc3n2)CCN1C ZINC000373679908 416961343 /nfs/dbraw/zinc/96/13/43/416961343.db2.gz HOIOLTAFMPXKFN-CYBMUJFWSA-N 1 2 324.388 0.921 10 0 DCAELO CC(=O)N1CCC(NC(=O)C[N@H+]2C[C@H](C)O[C@H](C)[C@H]2C)CC1 ZINC000446071094 416912730 /nfs/dbraw/zinc/91/27/30/416912730.db2.gz OJLNCAJVHJZTBD-YNEHKIRRSA-N 1 2 311.426 0.611 10 0 DCAELO CC(=O)N1CCC(NC(=O)C[N@@H+]2C[C@H](C)O[C@H](C)[C@H]2C)CC1 ZINC000446071094 416912736 /nfs/dbraw/zinc/91/27/36/416912736.db2.gz OJLNCAJVHJZTBD-YNEHKIRRSA-N 1 2 311.426 0.611 10 0 DCAELO OC[C@@H]1C[C@@H](O)CN1c1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000624070110 416949769 /nfs/dbraw/zinc/94/97/69/416949769.db2.gz BSBWYXNLHXOZJT-LSDHHAIUSA-N 1 2 312.373 0.929 10 0 DCAELO Nc1ccc([C@@H]2CNc3ccccc3N2S(N)(=O)=O)c[nH+]1 ZINC000616682179 417093694 /nfs/dbraw/zinc/09/36/94/417093694.db2.gz FLNJUPHBEPTKHD-LBPRGKRZSA-N 1 2 305.363 0.841 10 0 DCAELO CN(C)c1cnc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cn1 ZINC000408082017 417139855 /nfs/dbraw/zinc/13/98/55/417139855.db2.gz VGWWNNMOQQSFCI-GFCCVEGCSA-N 1 2 305.382 0.089 10 0 DCAELO COCC[N@@H+]1CCN(S(=O)(=O)[C@@H]2CCO[C@@H](C)C2)C[C@H]1C ZINC000408457570 417163623 /nfs/dbraw/zinc/16/36/23/417163623.db2.gz POOOILCXJXBXDT-HZSPNIEDSA-N 1 2 320.455 0.536 10 0 DCAELO COCC[N@H+]1CCN(S(=O)(=O)[C@@H]2CCO[C@@H](C)C2)C[C@H]1C ZINC000408457570 417163630 /nfs/dbraw/zinc/16/36/30/417163630.db2.gz POOOILCXJXBXDT-HZSPNIEDSA-N 1 2 320.455 0.536 10 0 DCAELO CCOCC(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000620724489 417269108 /nfs/dbraw/zinc/26/91/08/417269108.db2.gz NKHOQCSVDIJRQS-INIZCTEOSA-N 1 2 305.422 0.955 10 0 DCAELO CCOCC(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000620724489 417269116 /nfs/dbraw/zinc/26/91/16/417269116.db2.gz NKHOQCSVDIJRQS-INIZCTEOSA-N 1 2 305.422 0.955 10 0 DCAELO CCCn1ncnc1C[N@@H+]1C[C@@H](C(=O)OCC)C2(COC2)C1 ZINC000451131641 417302865 /nfs/dbraw/zinc/30/28/65/417302865.db2.gz HMMUWGJNDYBVEW-LBPRGKRZSA-N 1 2 308.382 0.700 10 0 DCAELO CCCn1ncnc1C[N@H+]1C[C@@H](C(=O)OCC)C2(COC2)C1 ZINC000451131641 417302871 /nfs/dbraw/zinc/30/28/71/417302871.db2.gz HMMUWGJNDYBVEW-LBPRGKRZSA-N 1 2 308.382 0.700 10 0 DCAELO CCOC(=O)[C@@H]1C[N@H+](Cc2cc(=O)c(O)co2)CC12COC2 ZINC000451132846 417303994 /nfs/dbraw/zinc/30/39/94/417303994.db2.gz JETOGCNGLYMDLZ-NSHDSACASA-N 1 2 309.318 0.357 10 0 DCAELO CCOC(=O)[C@@H]1C[N@@H+](Cc2cc(=O)c(O)co2)CC12COC2 ZINC000451132846 417304001 /nfs/dbraw/zinc/30/40/01/417304001.db2.gz JETOGCNGLYMDLZ-NSHDSACASA-N 1 2 309.318 0.357 10 0 DCAELO CN(CC1CC1)C(=O)C[N@@H+]1CCCC[C@@H]1CS(C)(=O)=O ZINC000451649192 417371072 /nfs/dbraw/zinc/37/10/72/417371072.db2.gz AIFYNXWTVYJMNJ-CYBMUJFWSA-N 1 2 302.440 0.754 10 0 DCAELO CN(CC1CC1)C(=O)C[N@H+]1CCCC[C@@H]1CS(C)(=O)=O ZINC000451649192 417371078 /nfs/dbraw/zinc/37/10/78/417371078.db2.gz AIFYNXWTVYJMNJ-CYBMUJFWSA-N 1 2 302.440 0.754 10 0 DCAELO O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N[C@H]1CCC[C@H]1CCO ZINC000571235115 417439346 /nfs/dbraw/zinc/43/93/46/417439346.db2.gz KNJAGAIGNPKUPZ-AAEUAGOBSA-N 1 2 316.361 0.940 10 0 DCAELO CC(C)OC(=O)[C@H](C)[N@H+](C)C[C@@H](O)COC[C@H]1CCCO1 ZINC000531842647 417644201 /nfs/dbraw/zinc/64/42/01/417644201.db2.gz VVXSBBLZOOCJCJ-BFHYXJOUSA-N 1 2 303.399 0.815 10 0 DCAELO CC(C)OC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)COC[C@H]1CCCO1 ZINC000531842647 417644204 /nfs/dbraw/zinc/64/42/04/417644204.db2.gz VVXSBBLZOOCJCJ-BFHYXJOUSA-N 1 2 303.399 0.815 10 0 DCAELO CCc1cc(NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)n(C)n1 ZINC000173903549 545884476 /nfs/dbraw/zinc/88/44/76/545884476.db2.gz YXAHPHWLJUWBRV-CYBMUJFWSA-N 1 2 307.398 0.921 10 0 DCAELO CC[C@H](CO)[NH+]1CCN(C(=O)c2cn3ccnc3s2)CC1 ZINC000188734563 545918398 /nfs/dbraw/zinc/91/83/98/545918398.db2.gz ANRUDOWTEVXFQL-LLVKDONJSA-N 1 2 308.407 0.925 10 0 DCAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1coc(C2CCC2)n1 ZINC000195415596 545934304 /nfs/dbraw/zinc/93/43/04/545934304.db2.gz XLYCZVOPPSRXCD-LBPRGKRZSA-N 1 2 309.366 0.365 10 0 DCAELO Cc1cc(C)n2cc(C[NH+]3CCC([C@H](O)C(N)=O)CC3)nc2n1 ZINC000299747861 229391427 /nfs/dbraw/zinc/39/14/27/229391427.db2.gz FJSPFQIAGWXVRW-AWEZNQCLSA-N 1 2 317.393 0.404 10 0 DCAELO CCCc1cc(NC[C@@H](O)C[NH+]2CCOCC2)n2ncnc2n1 ZINC000193515473 261142090 /nfs/dbraw/zinc/14/20/90/261142090.db2.gz PUQRDAKYGXZJLK-CYBMUJFWSA-N 1 2 320.397 0.182 10 0 DCAELO Cn1ccc(N2CC[C@H]([N@H+](CCO)Cc3cccnc3)C2=O)n1 ZINC000362804228 262074828 /nfs/dbraw/zinc/07/48/28/262074828.db2.gz CMOQRHFDQVCFDY-AWEZNQCLSA-N 1 2 315.377 0.415 10 0 DCAELO Cn1ccc(N2CC[C@H]([N@@H+](CCO)Cc3cccnc3)C2=O)n1 ZINC000362804228 262074829 /nfs/dbraw/zinc/07/48/29/262074829.db2.gz CMOQRHFDQVCFDY-AWEZNQCLSA-N 1 2 315.377 0.415 10 0 DCAELO NC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)C1 ZINC000363018101 262094037 /nfs/dbraw/zinc/09/40/37/262094037.db2.gz XOHLNKOSXGYAAE-HZSPNIEDSA-N 1 2 309.410 0.354 10 0 DCAELO NC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)C1 ZINC000363018101 262094039 /nfs/dbraw/zinc/09/40/39/262094039.db2.gz XOHLNKOSXGYAAE-HZSPNIEDSA-N 1 2 309.410 0.354 10 0 DCAELO CNc1nc(C)cc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)n1 ZINC000286533203 277304550 /nfs/dbraw/zinc/30/45/50/277304550.db2.gz VYWPCACQUIPPHK-OLZOCXBDSA-N 1 2 305.382 0.372 10 0 DCAELO CNc1nc(C)cc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)n1 ZINC000286533203 277304552 /nfs/dbraw/zinc/30/45/52/277304552.db2.gz VYWPCACQUIPPHK-OLZOCXBDSA-N 1 2 305.382 0.372 10 0 DCAELO C[C@@H](C(=O)NCC(F)(F)F)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000246185824 278206787 /nfs/dbraw/zinc/20/67/87/278206787.db2.gz UUJJRSXSCMWHDA-GRYCIOLGSA-N 1 2 323.359 0.706 10 0 DCAELO Cn1cc2c(n1)CCC[C@H]2NC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000548892244 288185357 /nfs/dbraw/zinc/18/53/57/288185357.db2.gz ZCCXNEQTPLESJS-BPLDGKMQSA-N 1 2 319.409 0.522 10 0 DCAELO Cn1cc2c(n1)CCC[C@H]2NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000548892244 288185361 /nfs/dbraw/zinc/18/53/61/288185361.db2.gz ZCCXNEQTPLESJS-BPLDGKMQSA-N 1 2 319.409 0.522 10 0 DCAELO CN(C)c1[nH]c2ccc(NC(=O)CN3CCOCC3=O)cc2[nH+]1 ZINC000549376712 288197343 /nfs/dbraw/zinc/19/73/43/288197343.db2.gz AFGGKRVRUJBRGN-UHFFFAOYSA-N 1 2 317.349 0.426 10 0 DCAELO O=C1NC[C@H]2C[N@@H+]([C@@H]3CCc4ccccc4NC3=O)CCN12 ZINC000248836210 280295184 /nfs/dbraw/zinc/29/51/84/280295184.db2.gz JWYZFNWSFPDPQS-GXTWGEPZSA-N 1 2 300.362 0.649 10 0 DCAELO O=C1NC[C@H]2C[N@H+]([C@@H]3CCc4ccccc4NC3=O)CCN12 ZINC000248836210 280295187 /nfs/dbraw/zinc/29/51/87/280295187.db2.gz JWYZFNWSFPDPQS-GXTWGEPZSA-N 1 2 300.362 0.649 10 0 DCAELO C[C@@H](O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000557384373 288418471 /nfs/dbraw/zinc/41/84/71/288418471.db2.gz IZALRULIHYJVHW-VXGBXAGGSA-N 1 2 316.361 0.892 10 0 DCAELO CN(C(=O)[C@@H](Cc1ccccc1)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000106901601 289366253 /nfs/dbraw/zinc/36/62/53/289366253.db2.gz FRPNABMVOAPFTR-LSDHHAIUSA-N 1 2 324.446 0.805 10 0 DCAELO C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)c2cncc(O)c2)C1 ZINC000275752632 290076275 /nfs/dbraw/zinc/07/62/75/290076275.db2.gz QXZHDQQKDUDXEJ-OAHLLOKOSA-N 1 2 305.378 0.970 10 0 DCAELO C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)c2cncc(O)c2)C1 ZINC000275752632 290076278 /nfs/dbraw/zinc/07/62/78/290076278.db2.gz QXZHDQQKDUDXEJ-OAHLLOKOSA-N 1 2 305.378 0.970 10 0 DCAELO CNC(=O)CC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000185404150 290366494 /nfs/dbraw/zinc/36/64/94/290366494.db2.gz FYNJOLOFBRXUNW-CQSZACIVSA-N 1 2 305.378 0.312 10 0 DCAELO O=C(N1CC[NH+]([C@@H]2CCCCNC2=O)CC1)C1(O)CCCC1 ZINC000371091390 295572093 /nfs/dbraw/zinc/57/20/93/295572093.db2.gz VLAMOIKQVXRYKA-CYBMUJFWSA-N 1 2 309.410 0.104 10 0 DCAELO C[C@H](C(=O)Nc1nccs1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000247239859 298197783 /nfs/dbraw/zinc/19/77/83/298197783.db2.gz XTWSXKWBWFVXCG-VXGBXAGGSA-N 1 2 310.423 0.877 10 0 DCAELO C[C@H](C(=O)Nc1nccs1)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000247239859 298197786 /nfs/dbraw/zinc/19/77/86/298197786.db2.gz XTWSXKWBWFVXCG-VXGBXAGGSA-N 1 2 310.423 0.877 10 0 DCAELO C[C@H](C(=O)Nc1nccs1)[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000247239859 298197788 /nfs/dbraw/zinc/19/77/88/298197788.db2.gz XTWSXKWBWFVXCG-VXGBXAGGSA-N 1 2 310.423 0.877 10 0 DCAELO C[C@H](NC(=O)C[N@@H+]1CCCC[C@H]1c1cn[nH]c1)C(=O)N(C)C ZINC000246327379 299051551 /nfs/dbraw/zinc/05/15/51/299051551.db2.gz GHXLSBLUXPHMJA-AAEUAGOBSA-N 1 2 307.398 0.530 10 0 DCAELO C[C@H](NC(=O)C[N@H+]1CCCC[C@H]1c1cn[nH]c1)C(=O)N(C)C ZINC000246327379 299051552 /nfs/dbraw/zinc/05/15/52/299051552.db2.gz GHXLSBLUXPHMJA-AAEUAGOBSA-N 1 2 307.398 0.530 10 0 DCAELO COC(=O)Cn1ncc2c1nc[nH+]c2N1CC[C@@H](C)[C@H](O)C1 ZINC000301956091 533830833 /nfs/dbraw/zinc/83/08/33/533830833.db2.gz LBGSIZVCHPICEG-MWLCHTKSSA-N 1 2 305.338 0.206 10 0 DCAELO CN(CC1(CO)CC1)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000189170500 522596491 /nfs/dbraw/zinc/59/64/91/522596491.db2.gz VNBBQTQWHISDHA-UHFFFAOYSA-N 1 2 318.421 0.435 10 0 DCAELO C[C@@H]1CN(C(=O)c2cccc(C[S@@](C)=O)c2)CC[N@@H+]1CCO ZINC000249786322 524872411 /nfs/dbraw/zinc/87/24/11/524872411.db2.gz DNFMGKLJFBGEBU-MCMMXHMISA-N 1 2 324.446 0.704 10 0 DCAELO C[C@@H]1CN(C(=O)c2cccc(C[S@@](C)=O)c2)CC[N@H+]1CCO ZINC000249786322 524872420 /nfs/dbraw/zinc/87/24/20/524872420.db2.gz DNFMGKLJFBGEBU-MCMMXHMISA-N 1 2 324.446 0.704 10 0 DCAELO O=C1C[C@@H](Nc2cc(N3CCC[C@H]3CO)nc[nH+]2)CN1C1CC1 ZINC000267570661 527021132 /nfs/dbraw/zinc/02/11/32/527021132.db2.gz AAZYGBQHRRWCSS-YPMHNXCESA-N 1 2 317.393 0.613 10 0 DCAELO O=C1C[C@@H](Nc2cc(N3CCC[C@H]3CO)[nH+]cn2)CN1C1CC1 ZINC000267570661 527021140 /nfs/dbraw/zinc/02/11/40/527021140.db2.gz AAZYGBQHRRWCSS-YPMHNXCESA-N 1 2 317.393 0.613 10 0 DCAELO O=C1C[C@H](Nc2cc(N3CCC[C@H]3CO)nc[nH+]2)CN1C1CC1 ZINC000267570651 527030162 /nfs/dbraw/zinc/03/01/62/527030162.db2.gz AAZYGBQHRRWCSS-AAEUAGOBSA-N 1 2 317.393 0.613 10 0 DCAELO O=C1C[C@H](Nc2cc(N3CCC[C@H]3CO)[nH+]cn2)CN1C1CC1 ZINC000267570651 527030166 /nfs/dbraw/zinc/03/01/66/527030166.db2.gz AAZYGBQHRRWCSS-AAEUAGOBSA-N 1 2 317.393 0.613 10 0 DCAELO O=S(=O)(C[C@H]1CCCCO1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000246794673 527186436 /nfs/dbraw/zinc/18/64/36/527186436.db2.gz ARFKMILWNNUNRF-ZIAGYGMSSA-N 1 2 318.439 0.292 10 0 DCAELO CCC[N@H+](C[C@H](C)CS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 ZINC000176960569 528125550 /nfs/dbraw/zinc/12/55/50/528125550.db2.gz RPMSQRSZBBGABL-NWDGAFQWSA-N 1 2 311.469 0.566 10 0 DCAELO CCC[N@@H+](C[C@H](C)CS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 ZINC000176960569 528125554 /nfs/dbraw/zinc/12/55/54/528125554.db2.gz RPMSQRSZBBGABL-NWDGAFQWSA-N 1 2 311.469 0.566 10 0 DCAELO CC(=O)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000285126682 534923885 /nfs/dbraw/zinc/92/38/85/534923885.db2.gz SDYNNSYYAMJQAQ-QFYYESIMSA-N 1 2 319.361 0.138 10 0 DCAELO CC(=O)c1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000285126682 534923889 /nfs/dbraw/zinc/92/38/89/534923889.db2.gz SDYNNSYYAMJQAQ-QFYYESIMSA-N 1 2 319.361 0.138 10 0 DCAELO CN(C)Cc1csc(C[NH2+][C@H]2CCCS(=O)(=O)C2)n1 ZINC000722392584 661109214 /nfs/dbraw/zinc/10/92/14/661109214.db2.gz BGTHHYYOMROBOU-JTQLQIEISA-N 1 2 303.453 0.872 10 0 DCAELO CC(C)c1noc(C[N@@H+]2CCC[C@](O)(Cc3nncn3C)C2)n1 ZINC000888076845 658718164 /nfs/dbraw/zinc/71/81/64/658718164.db2.gz LRKVTLWPOIAXLV-HNNXBMFYSA-N 1 2 320.397 0.891 10 0 DCAELO CC(C)c1noc(C[N@H+]2CCC[C@](O)(Cc3nncn3C)C2)n1 ZINC000888076845 658718171 /nfs/dbraw/zinc/71/81/71/658718171.db2.gz LRKVTLWPOIAXLV-HNNXBMFYSA-N 1 2 320.397 0.891 10 0 DCAELO O=C(Cc1[nH]nc2c1CCCC2)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000188397751 659335437 /nfs/dbraw/zinc/33/54/37/659335437.db2.gz ILJQSAJVBDRSEM-ZDUSSCGKSA-N 1 2 318.421 0.764 10 0 DCAELO CC[S@@](=O)CCNC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000735090357 666949881 /nfs/dbraw/zinc/94/98/81/666949881.db2.gz PSVSFVPURYTUAI-LRTDBIEQSA-N 1 2 319.471 0.411 10 0 DCAELO COc1nccnc1C[N@@H+]1CCC[C@@](O)(Cc2nc(C)no2)C1 ZINC000886091796 667730994 /nfs/dbraw/zinc/73/09/94/667730994.db2.gz WZDUDHATNRASOX-OAHLLOKOSA-N 1 2 319.365 0.746 10 0 DCAELO COc1nccnc1C[N@H+]1CCC[C@@](O)(Cc2nc(C)no2)C1 ZINC000886091796 667730995 /nfs/dbraw/zinc/73/09/95/667730995.db2.gz WZDUDHATNRASOX-OAHLLOKOSA-N 1 2 319.365 0.746 10 0 DCAELO CC[C@H]1CN(C(=O)c2cn(CC)nn2)C[C@H]1[NH+]1CCOCC1 ZINC000933756114 669533121 /nfs/dbraw/zinc/53/31/21/669533121.db2.gz NPYXLMOPACLXFR-GXTWGEPZSA-N 1 2 307.398 0.481 10 0 DCAELO Cn1cc(C[N@@H+]2CCC[C@@H](CO)[C@H]2CO)c(Br)n1 ZINC000714078245 670175864 /nfs/dbraw/zinc/17/58/64/670175864.db2.gz KGAGXZWULIGHKY-GXSJLCMTSA-N 1 2 318.215 0.748 10 0 DCAELO Cn1cc(C[N@H+]2CCC[C@@H](CO)[C@H]2CO)c(Br)n1 ZINC000714078245 670175867 /nfs/dbraw/zinc/17/58/67/670175867.db2.gz KGAGXZWULIGHKY-GXSJLCMTSA-N 1 2 318.215 0.748 10 0 DCAELO CC(=O)N[C@H]1CCC[N@H+](CN2C[C@H](c3ccccn3)CC2=O)C1 ZINC000113241082 670697963 /nfs/dbraw/zinc/69/79/63/670697963.db2.gz HUYNSEVYAIVQEH-CABCVRRESA-N 1 2 316.405 0.956 10 0 DCAELO CC(=O)N[C@H]1CCC[N@@H+](CN2C[C@H](c3ccccn3)CC2=O)C1 ZINC000113241082 670697966 /nfs/dbraw/zinc/69/79/66/670697966.db2.gz HUYNSEVYAIVQEH-CABCVRRESA-N 1 2 316.405 0.956 10 0 DCAELO CCOCC[N@@H+]1CCN(S(=O)(=O)N(C)C(C)C)C[C@@H]1C ZINC000117368716 671197741 /nfs/dbraw/zinc/19/77/41/671197741.db2.gz ZOFIVZQGFYVUFY-ZDUSSCGKSA-N 1 2 307.460 0.614 10 0 DCAELO CCOCC[N@H+]1CCN(S(=O)(=O)N(C)C(C)C)C[C@@H]1C ZINC000117368716 671197743 /nfs/dbraw/zinc/19/77/43/671197743.db2.gz ZOFIVZQGFYVUFY-ZDUSSCGKSA-N 1 2 307.460 0.614 10 0 DCAELO CCc1nc(CN2CCC[N@H+](Cc3cnn(C)c3)CC2)n[nH]1 ZINC000181691028 199339374 /nfs/dbraw/zinc/33/93/74/199339374.db2.gz ZPSLJWZGSHSECX-UHFFFAOYSA-N 1 2 303.414 0.809 10 0 DCAELO CCc1nc(CN2CCC[N@@H+](Cc3cnn(C)c3)CC2)n[nH]1 ZINC000181691028 199339376 /nfs/dbraw/zinc/33/93/76/199339376.db2.gz ZPSLJWZGSHSECX-UHFFFAOYSA-N 1 2 303.414 0.809 10 0 DCAELO COC[C@@H](O)CN1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000171973420 198019263 /nfs/dbraw/zinc/01/92/63/198019263.db2.gz LIUBBBGVZKRFPI-JKSUJKDBSA-N 1 2 324.421 0.051 10 0 DCAELO CCc1nc2nnc3c(ccn(CCc4c[nH+]c[nH]4)c3=O)n2n1 ZINC000072466716 191174845 /nfs/dbraw/zinc/17/48/45/191174845.db2.gz NJEWMULOCZVLLR-UHFFFAOYSA-N 1 2 310.321 0.362 10 0 DCAELO CCc1nc2nnc3c(ccn(CCc4c[nH]c[nH+]4)c3=O)n2n1 ZINC000072466716 191174847 /nfs/dbraw/zinc/17/48/47/191174847.db2.gz NJEWMULOCZVLLR-UHFFFAOYSA-N 1 2 310.321 0.362 10 0 DCAELO CCN(CCO)C(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000173426553 198213621 /nfs/dbraw/zinc/21/36/21/198213621.db2.gz OHERPAQWVCXXND-LBPRGKRZSA-N 1 2 322.413 0.511 10 0 DCAELO CCN(CCO)C(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000173426553 198213624 /nfs/dbraw/zinc/21/36/24/198213624.db2.gz OHERPAQWVCXXND-LBPRGKRZSA-N 1 2 322.413 0.511 10 0 DCAELO Cc1nn(C)c(C)c1C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000173801393 198253801 /nfs/dbraw/zinc/25/38/01/198253801.db2.gz NEGRTSNXJCGMKB-BXUZGUMPSA-N 1 2 306.410 0.830 10 0 DCAELO Cc1nn(C)c(C)c1C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000173801406 198254128 /nfs/dbraw/zinc/25/41/28/198254128.db2.gz NEGRTSNXJCGMKB-FZMZJTMJSA-N 1 2 306.410 0.830 10 0 DCAELO COc1ncccc1C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000173861870 198261828 /nfs/dbraw/zinc/26/18/28/198261828.db2.gz OFGFQJUFHXEVGC-OCCSQVGLSA-N 1 2 305.378 0.883 10 0 DCAELO CCCN(C)S(=O)(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000247074054 283072397 /nfs/dbraw/zinc/07/23/97/283072397.db2.gz OLANFOBXXCHDKA-OLZOCXBDSA-N 1 2 305.444 0.226 10 0 DCAELO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cnc(N2CCOCC2)s1 ZINC000179353568 199020323 /nfs/dbraw/zinc/02/03/23/199020323.db2.gz IKFLNWHBMKDZQH-GFCCVEGCSA-N 1 2 310.423 0.690 10 0 DCAELO CNC(=O)[C@H]1CCC[N@H+]1Cc1cnc(N2CCOCC2)s1 ZINC000179353568 199020325 /nfs/dbraw/zinc/02/03/25/199020325.db2.gz IKFLNWHBMKDZQH-GFCCVEGCSA-N 1 2 310.423 0.690 10 0 DCAELO COc1n[nH]c(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000179366795 199021938 /nfs/dbraw/zinc/02/19/38/199021938.db2.gz KLGPLYHDAMEWON-GFCCVEGCSA-N 1 2 317.349 0.653 10 0 DCAELO COc1n[nH]c(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000179366795 199021940 /nfs/dbraw/zinc/02/19/40/199021940.db2.gz KLGPLYHDAMEWON-GFCCVEGCSA-N 1 2 317.349 0.653 10 0 DCAELO C[C@H]1CN(C(=O)c2ccc(O)cc2O)C[C@H]1[NH+]1CCOCC1 ZINC000179524247 199050469 /nfs/dbraw/zinc/05/04/69/199050469.db2.gz ZCRZKFUXOLEWLN-SMDDNHRTSA-N 1 2 306.362 0.891 10 0 DCAELO C[C@H](c1cnn(C)c1)[N@H+](C)CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000180417801 199156234 /nfs/dbraw/zinc/15/62/34/199156234.db2.gz XTHNWSNYEFZDHB-NEPJUHHUSA-N 1 2 307.398 0.137 10 0 DCAELO C[C@H](c1cnn(C)c1)[N@@H+](C)CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000180417801 199156235 /nfs/dbraw/zinc/15/62/35/199156235.db2.gz XTHNWSNYEFZDHB-NEPJUHHUSA-N 1 2 307.398 0.137 10 0 DCAELO Cc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCO2)c1F ZINC000180587842 199180698 /nfs/dbraw/zinc/18/06/98/199180698.db2.gz WDAUNHDCGGOZKC-LLVKDONJSA-N 1 2 309.341 0.519 10 0 DCAELO Cc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1F ZINC000180587842 199180700 /nfs/dbraw/zinc/18/07/00/199180700.db2.gz WDAUNHDCGGOZKC-LLVKDONJSA-N 1 2 309.341 0.519 10 0 DCAELO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)C2(C)CC2)CC1 ZINC000157265482 237058640 /nfs/dbraw/zinc/05/86/40/237058640.db2.gz NOARAMQLIFQLIY-CYBMUJFWSA-N 1 2 309.410 0.178 10 0 DCAELO CC(=O)c1c(C)[nH]c(C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1C ZINC000187291534 200089590 /nfs/dbraw/zinc/08/95/90/200089590.db2.gz FHILUUTVMRPBLZ-SNVBAGLBSA-N 1 2 307.394 0.973 10 0 DCAELO CC(=O)c1c(C)[nH]c(C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1C ZINC000187291534 200089591 /nfs/dbraw/zinc/08/95/91/200089591.db2.gz FHILUUTVMRPBLZ-SNVBAGLBSA-N 1 2 307.394 0.973 10 0 DCAELO Cc1ccc(S(=O)(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1F ZINC000188727904 200296249 /nfs/dbraw/zinc/29/62/49/200296249.db2.gz MKGKTTHTUXLLFL-GFCCVEGCSA-N 1 2 316.398 0.821 10 0 DCAELO Cc1ccc(S(=O)(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1F ZINC000188727904 200296251 /nfs/dbraw/zinc/29/62/51/200296251.db2.gz MKGKTTHTUXLLFL-GFCCVEGCSA-N 1 2 316.398 0.821 10 0 DCAELO CC(=O)Nc1nc(C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cs1 ZINC000188713850 200292183 /nfs/dbraw/zinc/29/21/83/200292183.db2.gz GCBZMJGKBWCEGR-SECBINFHSA-N 1 2 312.395 0.240 10 0 DCAELO CC(=O)Nc1nc(C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cs1 ZINC000188713850 200292185 /nfs/dbraw/zinc/29/21/85/200292185.db2.gz GCBZMJGKBWCEGR-SECBINFHSA-N 1 2 312.395 0.240 10 0 DCAELO Cc1ccc(NC(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)nc1 ZINC000275897977 238314241 /nfs/dbraw/zinc/31/42/41/238314241.db2.gz IDVQVJRYRJIGHP-GFCCVEGCSA-N 1 2 321.381 0.040 10 0 DCAELO Cc1ccc(NC(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)nc1 ZINC000275897977 238314245 /nfs/dbraw/zinc/31/42/45/238314245.db2.gz IDVQVJRYRJIGHP-GFCCVEGCSA-N 1 2 321.381 0.040 10 0 DCAELO CNC(=O)CCCN(C)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000163680130 291247152 /nfs/dbraw/zinc/24/71/52/291247152.db2.gz LJUMDZMRIHIGIW-UHFFFAOYSA-N 1 2 307.398 0.815 10 0 DCAELO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)o1 ZINC000408396932 239268452 /nfs/dbraw/zinc/26/84/52/239268452.db2.gz VIUXPUABUADFJZ-QWRGUYRKSA-N 1 2 302.396 0.664 10 0 DCAELO Cc1ccc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)o1 ZINC000408396932 239268455 /nfs/dbraw/zinc/26/84/55/239268455.db2.gz VIUXPUABUADFJZ-QWRGUYRKSA-N 1 2 302.396 0.664 10 0 DCAELO O=S(=O)(CC1CC1)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000265090804 204391422 /nfs/dbraw/zinc/39/14/22/204391422.db2.gz MZJPERPNZFJZRI-UHFFFAOYSA-N 1 2 311.407 0.748 10 0 DCAELO CCN(CC)C(=O)C[N@@H+]1CCc2c(sc(N)c2C(N)=O)C1 ZINC000041583049 183207146 /nfs/dbraw/zinc/20/71/46/183207146.db2.gz QRBIORDIKONLRJ-UHFFFAOYSA-N 1 2 310.423 0.656 10 0 DCAELO CCN(CC)C(=O)C[N@H+]1CCc2c(sc(N)c2C(N)=O)C1 ZINC000041583049 183207148 /nfs/dbraw/zinc/20/71/48/183207148.db2.gz QRBIORDIKONLRJ-UHFFFAOYSA-N 1 2 310.423 0.656 10 0 DCAELO CN(Cc1nccn1C(F)F)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000104797619 194040874 /nfs/dbraw/zinc/04/08/74/194040874.db2.gz YNTLYWXCSVDCNT-JTQLQIEISA-N 1 2 317.340 0.750 10 0 DCAELO CN(Cc1nccn1C(F)F)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000104797619 194040876 /nfs/dbraw/zinc/04/08/76/194040876.db2.gz YNTLYWXCSVDCNT-JTQLQIEISA-N 1 2 317.340 0.750 10 0 DCAELO Cc1ccc([C@@H](O)CNC(=O)NC[C@H]2C[N@H+](C)CCO2)cc1 ZINC000104797579 194041216 /nfs/dbraw/zinc/04/12/16/194041216.db2.gz NJHQWKBIRDKFEP-GJZGRUSLSA-N 1 2 307.394 0.658 10 0 DCAELO Cc1ccc([C@@H](O)CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000104797579 194041219 /nfs/dbraw/zinc/04/12/19/194041219.db2.gz NJHQWKBIRDKFEP-GJZGRUSLSA-N 1 2 307.394 0.658 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H](O)c2ccc(F)cc2)C1 ZINC000104797727 194042050 /nfs/dbraw/zinc/04/20/50/194042050.db2.gz YLEPMXGHYFJEOH-KGLIPLIRSA-N 1 2 311.357 0.489 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)NC[C@H](O)c2ccc(F)cc2)C1 ZINC000104797727 194042051 /nfs/dbraw/zinc/04/20/51/194042051.db2.gz YLEPMXGHYFJEOH-KGLIPLIRSA-N 1 2 311.357 0.489 10 0 DCAELO O=C(NCCc1cn2ccccc2[nH+]1)N1CCNC(=O)CC1 ZINC000105101336 194073073 /nfs/dbraw/zinc/07/30/73/194073073.db2.gz GQAXCXGEMFOGOA-UHFFFAOYSA-N 1 2 301.350 0.408 10 0 DCAELO Cn1cc(C[N@@H+]2CCCN(C(=O)C3(O)CCCC3)CC2)cn1 ZINC000105875060 194152886 /nfs/dbraw/zinc/15/28/86/194152886.db2.gz KSHNWAMBNSVOSF-UHFFFAOYSA-N 1 2 306.410 0.760 10 0 DCAELO Cn1cc(C[N@H+]2CCCN(C(=O)C3(O)CCCC3)CC2)cn1 ZINC000105875060 194152889 /nfs/dbraw/zinc/15/28/89/194152889.db2.gz KSHNWAMBNSVOSF-UHFFFAOYSA-N 1 2 306.410 0.760 10 0 DCAELO C[C@@H](NC[C@@H]1C[N@H+](C)CCO1)c1nnnn1-c1ccccc1 ZINC000105932401 194172970 /nfs/dbraw/zinc/17/29/70/194172970.db2.gz QMRGDOUKUPOJJG-TZMCWYRMSA-N 1 2 302.382 0.644 10 0 DCAELO C[C@@H](NC[C@@H]1C[N@@H+](C)CCO1)c1nnnn1-c1ccccc1 ZINC000105932401 194172972 /nfs/dbraw/zinc/17/29/72/194172972.db2.gz QMRGDOUKUPOJJG-TZMCWYRMSA-N 1 2 302.382 0.644 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCN2c2nccs2)C1 ZINC000110673480 194348089 /nfs/dbraw/zinc/34/80/89/194348089.db2.gz OCDVIIQNEFRGMO-NEPJUHHUSA-N 1 2 310.423 0.559 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCN2c2nccs2)C1 ZINC000110673480 194348092 /nfs/dbraw/zinc/34/80/92/194348092.db2.gz OCDVIIQNEFRGMO-NEPJUHHUSA-N 1 2 310.423 0.559 10 0 DCAELO Cc1cccc(OCCNC(=O)C[N@@H+]2C[C@@H](F)C[C@H]2CO)c1 ZINC000346370722 254043386 /nfs/dbraw/zinc/04/33/86/254043386.db2.gz PZDYQLFIKRONBR-KBPBESRZSA-N 1 2 310.369 0.895 10 0 DCAELO Cc1cccc(OCCNC(=O)C[N@H+]2C[C@@H](F)C[C@H]2CO)c1 ZINC000346370722 254043387 /nfs/dbraw/zinc/04/33/87/254043387.db2.gz PZDYQLFIKRONBR-KBPBESRZSA-N 1 2 310.369 0.895 10 0 DCAELO O=c1[nH]c2cc(-c3nc([C@@H]4C[NH+]5CCN4CC5)no3)ccc2o1 ZINC000289564701 285198352 /nfs/dbraw/zinc/19/83/52/285198352.db2.gz FMVNHMFYVYUPTN-NSHDSACASA-N 1 2 313.317 0.843 10 0 DCAELO O=c1cc(N2CC[C@H]([NH+]3CCOCC3)C2)nc2ccccn12 ZINC000173975848 285219407 /nfs/dbraw/zinc/21/94/07/285219407.db2.gz XJTXHCCEKNGCQT-ZDUSSCGKSA-N 1 2 300.362 0.605 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)Cn3ncc4ccccc43)C[C@@H]21 ZINC000283961399 131036266 /nfs/dbraw/zinc/03/62/66/131036266.db2.gz GNZHIOHRLILDON-HOTGVXAUSA-N 1 2 314.389 0.968 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)Cn3ncc4ccccc43)C[C@@H]21 ZINC000283961399 131036268 /nfs/dbraw/zinc/03/62/68/131036268.db2.gz GNZHIOHRLILDON-HOTGVXAUSA-N 1 2 314.389 0.968 10 0 DCAELO CC(C)[C@@H]1NC(=O)[C@H]2C[N@H+](Cc3ccccn3)CCN2C1=O ZINC000014538079 395689431 /nfs/dbraw/zinc/68/94/31/395689431.db2.gz NZJKJOCCWJTBMK-KGLIPLIRSA-N 1 2 302.378 0.249 10 0 DCAELO CC(C)[C@@H]1NC(=O)[C@H]2C[N@@H+](Cc3ccccn3)CCN2C1=O ZINC000014538079 395689432 /nfs/dbraw/zinc/68/94/32/395689432.db2.gz NZJKJOCCWJTBMK-KGLIPLIRSA-N 1 2 302.378 0.249 10 0 DCAELO O=C([C@@H]1CCCC12OCCO2)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000375103554 304312519 /nfs/dbraw/zinc/31/25/19/304312519.db2.gz XNPBTMCZFVIISJ-CABCVRRESA-N 1 2 324.421 0.853 10 0 DCAELO C[C@@H](C(=O)N(C)CC(=O)NC(C)(C)C)[NH+]1CCSCC1 ZINC000103467704 395773015 /nfs/dbraw/zinc/77/30/15/395773015.db2.gz PMHACMRCGVRIJG-NSHDSACASA-N 1 2 301.456 0.797 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)CCc2ccc3c(c2)OCCO3)C1 ZINC000194619075 395802778 /nfs/dbraw/zinc/80/27/78/395802778.db2.gz QOCZBEBIAYKXRF-AWEZNQCLSA-N 1 2 320.389 0.837 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)CCc2ccc3c(c2)OCCO3)C1 ZINC000194619075 395802782 /nfs/dbraw/zinc/80/27/82/395802782.db2.gz QOCZBEBIAYKXRF-AWEZNQCLSA-N 1 2 320.389 0.837 10 0 DCAELO COc1ccc(OCCC(=O)NC[C@H]2C[N@H+](C)CCO2)cc1 ZINC000194631933 395802998 /nfs/dbraw/zinc/80/29/98/395802998.db2.gz OTSXPSXKPZQDEY-HNNXBMFYSA-N 1 2 308.378 0.911 10 0 DCAELO COc1ccc(OCCC(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000194631933 395803001 /nfs/dbraw/zinc/80/30/01/395803001.db2.gz OTSXPSXKPZQDEY-HNNXBMFYSA-N 1 2 308.378 0.911 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)CNC(=O)c2ccc(F)cc2)C1 ZINC000194750007 395806791 /nfs/dbraw/zinc/80/67/91/395806791.db2.gz NCIDSUBLBARGIH-CYBMUJFWSA-N 1 2 309.341 0.002 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)CNC(=O)c2ccc(F)cc2)C1 ZINC000194750007 395806793 /nfs/dbraw/zinc/80/67/93/395806793.db2.gz NCIDSUBLBARGIH-CYBMUJFWSA-N 1 2 309.341 0.002 10 0 DCAELO Cn1c2ccc(C[N@@H+]3CCN4C(=O)NC[C@@H]4C3)cc2sc1=O ZINC000195042791 395814112 /nfs/dbraw/zinc/81/41/12/395814112.db2.gz DGIMKUQUKBZITK-LLVKDONJSA-N 1 2 318.402 0.809 10 0 DCAELO Cn1c2ccc(C[N@H+]3CCN4C(=O)NC[C@@H]4C3)cc2sc1=O ZINC000195042791 395814117 /nfs/dbraw/zinc/81/41/17/395814117.db2.gz DGIMKUQUKBZITK-LLVKDONJSA-N 1 2 318.402 0.809 10 0 DCAELO CCc1nnc(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)n1C ZINC000195049528 395814276 /nfs/dbraw/zinc/81/42/76/395814276.db2.gz LYHRSPNDOCUDEH-CYBMUJFWSA-N 1 2 321.425 0.448 10 0 DCAELO CCc1nnc(C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)n1C ZINC000195049528 395814279 /nfs/dbraw/zinc/81/42/79/395814279.db2.gz LYHRSPNDOCUDEH-CYBMUJFWSA-N 1 2 321.425 0.448 10 0 DCAELO CCc1nnc(CN2CC[NH+](CC(=O)N(CC)CC)CC2)n1C ZINC000195430125 395826236 /nfs/dbraw/zinc/82/62/36/395826236.db2.gz MOQAAZQWWVQHLO-UHFFFAOYSA-N 1 2 322.457 0.364 10 0 DCAELO NC(=O)[C@H]1CCCN(C(=O)C[NH+]2CCC(c3ccn[nH]3)CC2)C1 ZINC000195505892 395829721 /nfs/dbraw/zinc/82/97/21/395829721.db2.gz OROBGEKDRDABDM-ZDUSSCGKSA-N 1 2 319.409 0.313 10 0 DCAELO COCC[N@@H+]1CCN(C(=O)C(=O)Nc2ccccc2)C[C@@H]1C ZINC000117285967 395851570 /nfs/dbraw/zinc/85/15/70/395851570.db2.gz HJXWPOVFKPEIDZ-ZDUSSCGKSA-N 1 2 305.378 0.804 10 0 DCAELO COCC[N@H+]1CCN(C(=O)C(=O)Nc2ccccc2)C[C@@H]1C ZINC000117285967 395851573 /nfs/dbraw/zinc/85/15/73/395851573.db2.gz HJXWPOVFKPEIDZ-ZDUSSCGKSA-N 1 2 305.378 0.804 10 0 DCAELO CN(Cc1nnn(C)n1)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000194447545 395797131 /nfs/dbraw/zinc/79/71/31/395797131.db2.gz BMUPXUGMNFNKCS-GFCCVEGCSA-N 1 2 322.438 0.777 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)CCNC(=O)c2cccs2)C1 ZINC000194629918 395802279 /nfs/dbraw/zinc/80/22/79/395802279.db2.gz IYGHDTVJFHWLGT-NSHDSACASA-N 1 2 311.407 0.315 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)CCNC(=O)c2cccs2)C1 ZINC000194629918 395802282 /nfs/dbraw/zinc/80/22/82/395802282.db2.gz IYGHDTVJFHWLGT-NSHDSACASA-N 1 2 311.407 0.315 10 0 DCAELO COCC[N@@H+]1CCN(C(=O)C(=O)Nc2ccsc2)C[C@H]1C ZINC000125435016 395903153 /nfs/dbraw/zinc/90/31/53/395903153.db2.gz SMVKFBGVQGTOEX-LLVKDONJSA-N 1 2 311.407 0.866 10 0 DCAELO COCC[N@H+]1CCN(C(=O)C(=O)Nc2ccsc2)C[C@H]1C ZINC000125435016 395903154 /nfs/dbraw/zinc/90/31/54/395903154.db2.gz SMVKFBGVQGTOEX-LLVKDONJSA-N 1 2 311.407 0.866 10 0 DCAELO CC[C@@H](CO)[NH+]1CCN(c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000273276920 395910823 /nfs/dbraw/zinc/91/08/23/395910823.db2.gz CSMLLYRNHWNZCG-ZDUSSCGKSA-N 1 2 312.435 0.983 10 0 DCAELO CC(C)(C)c1cc(C(=O)NC[C@H](O)C[NH+]2CCOCC2)[nH]n1 ZINC000126466206 395913880 /nfs/dbraw/zinc/91/38/80/395913880.db2.gz PUDYNDPROWOCDL-NSHDSACASA-N 1 2 310.398 0.130 10 0 DCAELO COC(=O)[C@@H]1CCC[C@H](C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000245416276 395928658 /nfs/dbraw/zinc/92/86/58/395928658.db2.gz DZVCWGMSQCJQDI-RRFJBIMHSA-N 1 2 324.421 0.899 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2CCCc3[nH]ncc32)C[C@H]1C ZINC000246085192 395940711 /nfs/dbraw/zinc/94/07/11/395940711.db2.gz IGGCJJURGPMFDL-FRRDWIJNSA-N 1 2 306.410 0.743 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CCCc3[nH]ncc32)C[C@H]1C ZINC000246085192 395940713 /nfs/dbraw/zinc/94/07/13/395940713.db2.gz IGGCJJURGPMFDL-FRRDWIJNSA-N 1 2 306.410 0.743 10 0 DCAELO OC[C@H]1CCCN1c1cc(N[C@H]2CCc3ncnn3C2)[nH+]cn1 ZINC000246270931 395945461 /nfs/dbraw/zinc/94/54/61/395945461.db2.gz QPWOAWZISAJEMJ-NWDGAFQWSA-N 1 2 315.381 0.456 10 0 DCAELO OC[C@H]1CCCN1c1cc(N[C@H]2CCc3ncnn3C2)nc[nH+]1 ZINC000246270931 395945466 /nfs/dbraw/zinc/94/54/66/395945466.db2.gz QPWOAWZISAJEMJ-NWDGAFQWSA-N 1 2 315.381 0.456 10 0 DCAELO COc1ccccc1C(=O)C(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000248885193 395999442 /nfs/dbraw/zinc/99/94/42/395999442.db2.gz QEQJACFEESHQMB-STQMWFEESA-N 1 2 320.389 0.791 10 0 DCAELO COc1ccccc1C(=O)C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000248885193 395999444 /nfs/dbraw/zinc/99/94/44/395999444.db2.gz QEQJACFEESHQMB-STQMWFEESA-N 1 2 320.389 0.791 10 0 DCAELO CCCN(C)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000057616232 395945681 /nfs/dbraw/zinc/94/56/81/395945681.db2.gz GTFNBYQJHNUUSK-UHFFFAOYSA-N 1 2 306.414 0.650 10 0 DCAELO COC(=O)[C@H]1C[N@@H+]([C@H](C)C(=O)N2CCC(C)CC2)C[C@@H](C)O1 ZINC000246273272 395946589 /nfs/dbraw/zinc/94/65/89/395946589.db2.gz AJVSWRGKZMNOEZ-MGPQQGTHSA-N 1 2 312.410 0.896 10 0 DCAELO COC(=O)[C@H]1C[N@H+]([C@H](C)C(=O)N2CCC(C)CC2)C[C@@H](C)O1 ZINC000246273272 395946590 /nfs/dbraw/zinc/94/65/90/395946590.db2.gz AJVSWRGKZMNOEZ-MGPQQGTHSA-N 1 2 312.410 0.896 10 0 DCAELO CSC[C@H](CCO)Nc1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000246843036 395959401 /nfs/dbraw/zinc/95/94/01/395959401.db2.gz CMNRZUMIOJFSMY-RYUDHWBXSA-N 1 2 312.439 0.964 10 0 DCAELO CSC[C@H](CCO)Nc1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000246843036 395959402 /nfs/dbraw/zinc/95/94/02/395959402.db2.gz CMNRZUMIOJFSMY-RYUDHWBXSA-N 1 2 312.439 0.964 10 0 DCAELO CCCN(C)S(=O)(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000247074036 395965889 /nfs/dbraw/zinc/96/58/89/395965889.db2.gz OLANFOBXXCHDKA-CHWSQXEVSA-N 1 2 305.444 0.226 10 0 DCAELO Cc1ccc(N2CCC[C@H]([N@@H+]3CCO[C@@H](C(N)=O)C3)C2=O)cc1 ZINC000247701131 395978083 /nfs/dbraw/zinc/97/80/83/395978083.db2.gz XWFVHMVPCBQPKM-LSDHHAIUSA-N 1 2 317.389 0.677 10 0 DCAELO Cc1ccc(N2CCC[C@H]([N@H+]3CCO[C@@H](C(N)=O)C3)C2=O)cc1 ZINC000247701131 395978084 /nfs/dbraw/zinc/97/80/84/395978084.db2.gz XWFVHMVPCBQPKM-LSDHHAIUSA-N 1 2 317.389 0.677 10 0 DCAELO COC(=O)c1ccc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)o1 ZINC000154034970 396029673 /nfs/dbraw/zinc/02/96/73/396029673.db2.gz SXQQLJIGVMEVRJ-NSHDSACASA-N 1 2 308.334 0.613 10 0 DCAELO O=C(CCOc1ccccc1)NC[C@H](O)C[NH+]1CCOCC1 ZINC000154128020 396032400 /nfs/dbraw/zinc/03/24/00/396032400.db2.gz HXPUEBXDYJCLSA-AWEZNQCLSA-N 1 2 308.378 0.265 10 0 DCAELO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000249375060 396006917 /nfs/dbraw/zinc/00/69/17/396006917.db2.gz XXEGBOBJSTVIKE-IEBDPFPHSA-N 1 2 300.305 0.719 10 0 DCAELO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000249375060 396006921 /nfs/dbraw/zinc/00/69/21/396006921.db2.gz XXEGBOBJSTVIKE-IEBDPFPHSA-N 1 2 300.305 0.719 10 0 DCAELO C[N@@H+]1CC[C@@H](Nc2nc[nH]c(=O)c2I)C1 ZINC000165228342 396087655 /nfs/dbraw/zinc/08/76/55/396087655.db2.gz DFDMQIHLPHDUMX-ZCFIWIBFSA-N 1 2 320.134 0.491 10 0 DCAELO C[N@H+]1CC[C@@H](Nc2nc[nH]c(=O)c2I)C1 ZINC000165228342 396087656 /nfs/dbraw/zinc/08/76/56/396087656.db2.gz DFDMQIHLPHDUMX-ZCFIWIBFSA-N 1 2 320.134 0.491 10 0 DCAELO C[N@@H+]1CCO[C@H](CNS(=O)(=O)Cc2ccc(Cl)nc2)C1 ZINC000171094477 396106505 /nfs/dbraw/zinc/10/65/05/396106505.db2.gz FBAXHKOEBRNVAW-LLVKDONJSA-N 1 2 319.814 0.485 10 0 DCAELO C[N@H+]1CCO[C@H](CNS(=O)(=O)Cc2ccc(Cl)nc2)C1 ZINC000171094477 396106507 /nfs/dbraw/zinc/10/65/07/396106507.db2.gz FBAXHKOEBRNVAW-LLVKDONJSA-N 1 2 319.814 0.485 10 0 DCAELO C[C@H](O)c1ccc(CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000171672908 396122448 /nfs/dbraw/zinc/12/24/48/396122448.db2.gz DLVHYVULJGWUQA-SWLSCSKDSA-N 1 2 307.394 0.870 10 0 DCAELO C[C@H](O)c1ccc(CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000171672908 396122451 /nfs/dbraw/zinc/12/24/51/396122451.db2.gz DLVHYVULJGWUQA-SWLSCSKDSA-N 1 2 307.394 0.870 10 0 DCAELO CCOCCS(=O)(=O)N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000172263969 396129531 /nfs/dbraw/zinc/12/95/31/396129531.db2.gz UPCITEHTCRQPRG-CYBMUJFWSA-N 1 2 308.444 0.395 10 0 DCAELO CCOCCS(=O)(=O)N1CC[N@@H+](CCOC)[C@H](CC)C1 ZINC000172263969 396129534 /nfs/dbraw/zinc/12/95/34/396129534.db2.gz UPCITEHTCRQPRG-CYBMUJFWSA-N 1 2 308.444 0.395 10 0 DCAELO CO[C@@H](C)c1noc(CN(C)C(=O)[C@@H]2CC(F)(F)C[NH2+]2)n1 ZINC000263203976 396205765 /nfs/dbraw/zinc/20/57/65/396205765.db2.gz JLYNAROIZNKPQU-YUMQZZPRSA-N 1 2 304.297 0.733 10 0 DCAELO CC(C)Cn1cc[nH+]c1CNC(=O)CN1C(=O)NC(=O)C1(C)C ZINC000073958946 396154168 /nfs/dbraw/zinc/15/41/68/396154168.db2.gz ZEYNPEUDPLKRSN-UHFFFAOYSA-N 1 2 321.381 0.486 10 0 DCAELO CC(C)c1nc2n(n1)C[C@@H](NC(=O)[C@@H]1CC(F)(F)C[NH2+]1)CC2 ZINC000263294190 396211925 /nfs/dbraw/zinc/21/19/25/396211925.db2.gz WCHGNITYHVEWRZ-UWVGGRQHSA-N 1 2 313.352 0.830 10 0 DCAELO O=C(NCCc1nnc2n1CCCCC2)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263075094 396200579 /nfs/dbraw/zinc/20/05/79/396200579.db2.gz WZLVCGCLZCLKRG-SNVBAGLBSA-N 1 2 313.352 0.660 10 0 DCAELO Cn1ncc2c1CCC[C@@H]2NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000264299963 396268657 /nfs/dbraw/zinc/26/86/57/396268657.db2.gz IYXHJSMIGYUMOO-AAEUAGOBSA-N 1 2 307.398 0.427 10 0 DCAELO Cn1ncc2c1CCC[C@@H]2NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000264299963 396268658 /nfs/dbraw/zinc/26/86/58/396268658.db2.gz IYXHJSMIGYUMOO-AAEUAGOBSA-N 1 2 307.398 0.427 10 0 DCAELO O=C1[C@H]([N@H+]2C[C@H](O)C[C@@H]2CO)CCN1c1c(F)cccc1F ZINC000184732206 396303366 /nfs/dbraw/zinc/30/33/66/396303366.db2.gz RQLLOGXUPLKGKQ-GIPNMCIBSA-N 1 2 312.316 0.498 10 0 DCAELO O=C1[C@H]([N@@H+]2C[C@H](O)C[C@@H]2CO)CCN1c1c(F)cccc1F ZINC000184732206 396303369 /nfs/dbraw/zinc/30/33/69/396303369.db2.gz RQLLOGXUPLKGKQ-GIPNMCIBSA-N 1 2 312.316 0.498 10 0 DCAELO CCOC(=O)c1c(C)nn(C[C@H](O)C[NH+]2CCOCC2)c1C ZINC000184850550 396308876 /nfs/dbraw/zinc/30/88/76/396308876.db2.gz GDICOGWWTVJJGG-CYBMUJFWSA-N 1 2 311.382 0.370 10 0 DCAELO CCC1(CC)C[N@H+](CCN2C(=O)CCC2=O)CC[S@]1=O ZINC000185255023 396323020 /nfs/dbraw/zinc/32/30/20/396323020.db2.gz CZLSXJQFNQNACU-HXUWFJFHSA-N 1 2 300.424 0.759 10 0 DCAELO CCC1(CC)C[N@@H+](CCN2C(=O)CCC2=O)CC[S@]1=O ZINC000185255023 396323023 /nfs/dbraw/zinc/32/30/23/396323023.db2.gz CZLSXJQFNQNACU-HXUWFJFHSA-N 1 2 300.424 0.759 10 0 DCAELO CCOCCCNC(=O)[C@H](C)[NH+]1CCN(c2cc(C)[nH]n2)CC1 ZINC000187240698 396365427 /nfs/dbraw/zinc/36/54/27/396365427.db2.gz PTKMUGZBBJYKGR-AWEZNQCLSA-N 1 2 323.441 0.771 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)c2nc(Br)cs2)C1 ZINC000187429318 396369313 /nfs/dbraw/zinc/36/93/13/396369313.db2.gz AMYGQRGKWLSIFQ-SSDOTTSWSA-N 1 2 320.212 0.966 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)c2nc(Br)cs2)C1 ZINC000187429318 396369316 /nfs/dbraw/zinc/36/93/16/396369316.db2.gz AMYGQRGKWLSIFQ-SSDOTTSWSA-N 1 2 320.212 0.966 10 0 DCAELO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccc2c(c1)NC(=O)C2 ZINC000188501835 396382991 /nfs/dbraw/zinc/38/29/91/396382991.db2.gz FOUAPMMNAMFFMP-CQSZACIVSA-N 1 2 315.373 0.774 10 0 DCAELO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1ccc2c(c1)NC(=O)C2 ZINC000188501835 396382992 /nfs/dbraw/zinc/38/29/92/396382992.db2.gz FOUAPMMNAMFFMP-CQSZACIVSA-N 1 2 315.373 0.774 10 0 DCAELO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188798953 396386829 /nfs/dbraw/zinc/38/68/29/396386829.db2.gz HLLMHRMXKLEYMR-GFCCVEGCSA-N 1 2 324.425 0.017 10 0 DCAELO O=C(C[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1)N1CCOCC1 ZINC000189745296 396398288 /nfs/dbraw/zinc/39/82/88/396398288.db2.gz LZISCYGHHRWPFL-UHFFFAOYSA-N 1 2 319.409 0.268 10 0 DCAELO O=C(Cc1cnc2ccccc2c1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000190240434 396403482 /nfs/dbraw/zinc/40/34/82/396403482.db2.gz NXJUDYCSEUVIOI-INIZCTEOSA-N 1 2 310.401 0.893 10 0 DCAELO COc1cccc(CNC(=O)[C@H](C)[N@@H+]2CCCN(C)C(=O)C2)c1 ZINC000191076745 396415214 /nfs/dbraw/zinc/41/52/14/396415214.db2.gz SSYPZFAQFSRHMQ-ZDUSSCGKSA-N 1 2 319.405 0.864 10 0 DCAELO COc1cccc(CNC(=O)[C@H](C)[N@H+]2CCCN(C)C(=O)C2)c1 ZINC000191076745 396415216 /nfs/dbraw/zinc/41/52/16/396415216.db2.gz SSYPZFAQFSRHMQ-ZDUSSCGKSA-N 1 2 319.405 0.864 10 0 DCAELO O=C1NC(=O)[C@]2(CCC[N@H+](Cc3nc(C4CCCC4)no3)C2)N1 ZINC000192642187 396434246 /nfs/dbraw/zinc/43/42/46/396434246.db2.gz VTLMRCFWKGQTIB-OAHLLOKOSA-N 1 2 319.365 0.901 10 0 DCAELO O=C1NC(=O)[C@]2(CCC[N@@H+](Cc3nc(C4CCCC4)no3)C2)N1 ZINC000192642187 396434251 /nfs/dbraw/zinc/43/42/51/396434251.db2.gz VTLMRCFWKGQTIB-OAHLLOKOSA-N 1 2 319.365 0.901 10 0 DCAELO COCC[NH+]1CCN(C(=O)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000192754414 396436631 /nfs/dbraw/zinc/43/66/31/396436631.db2.gz DTXDJCCGGCAQMU-UHFFFAOYSA-N 1 2 316.361 0.327 10 0 DCAELO CNC(=O)NCC(=O)N1CCC[C@H]1c1[nH+]c2c(n1C)CCCC2 ZINC000286166911 396378772 /nfs/dbraw/zinc/37/87/72/396378772.db2.gz OKXIRCJEYKWWNS-ZDUSSCGKSA-N 1 2 319.409 0.891 10 0 DCAELO Cc1nn(C)c(C)c1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000269891071 396453687 /nfs/dbraw/zinc/45/36/87/396453687.db2.gz BMIHUNFHVNGLHM-UHFFFAOYSA-N 1 2 305.382 0.282 10 0 DCAELO CCOc1ccncc1S(=O)(=O)N1CC[NH+](C2CC2)CC1 ZINC000289145705 396455655 /nfs/dbraw/zinc/45/56/55/396455655.db2.gz MOGMVIFMXUTYDJ-UHFFFAOYSA-N 1 2 311.407 0.949 10 0 DCAELO O=C(C[N@@H+]1CCN2CCOC[C@@H]2C1)N1CCc2sccc2C1 ZINC000371813902 396477516 /nfs/dbraw/zinc/47/75/16/396477516.db2.gz BTTPMCLXPVOAAU-AWEZNQCLSA-N 1 2 321.446 0.649 10 0 DCAELO O=C(C[N@H+]1CCN2CCOC[C@@H]2C1)N1CCc2sccc2C1 ZINC000371813902 396477518 /nfs/dbraw/zinc/47/75/18/396477518.db2.gz BTTPMCLXPVOAAU-AWEZNQCLSA-N 1 2 321.446 0.649 10 0 DCAELO O=C(NC[C@@H]1CCCCS1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000580124039 396488917 /nfs/dbraw/zinc/48/89/17/396488917.db2.gz PDSIQEYGOYCBJV-ZDUSSCGKSA-N 1 2 311.451 0.695 10 0 DCAELO C[C@H](NC(=O)C(=O)N1CC[NH+](C2CC2)CC1)C1CCOCC1 ZINC000581090881 396525672 /nfs/dbraw/zinc/52/56/72/396525672.db2.gz GYCLCEILOSPRFD-LBPRGKRZSA-N 1 2 309.410 0.224 10 0 DCAELO Cc1csc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)n1 ZINC000372736066 396541786 /nfs/dbraw/zinc/54/17/86/396541786.db2.gz GLQBJJKEUOPJRI-HOSYDEDBSA-N 1 2 308.407 0.976 10 0 DCAELO Cc1csc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)n1 ZINC000372736066 396541789 /nfs/dbraw/zinc/54/17/89/396541789.db2.gz GLQBJJKEUOPJRI-HOSYDEDBSA-N 1 2 308.407 0.976 10 0 DCAELO CC(=O)N1CSC[C@H]1C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000374367720 396657992 /nfs/dbraw/zinc/65/79/92/396657992.db2.gz RWOUXVPMVHXUEM-RYUDHWBXSA-N 1 2 308.407 0.657 10 0 DCAELO Cc1nc(C2(NC[C@H](O)C[NH+]3CCOCC3)CCCC2)no1 ZINC000304291322 396728614 /nfs/dbraw/zinc/72/86/14/396728614.db2.gz JQVKUBVVPHHZNQ-ZDUSSCGKSA-N 1 2 310.398 0.430 10 0 DCAELO Cc1nc(C2([NH2+]C[C@H](O)CN3CCOCC3)CCCC2)no1 ZINC000304291322 396728617 /nfs/dbraw/zinc/72/86/17/396728617.db2.gz JQVKUBVVPHHZNQ-ZDUSSCGKSA-N 1 2 310.398 0.430 10 0 DCAELO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000375076649 396709783 /nfs/dbraw/zinc/70/97/83/396709783.db2.gz FJYSFWCAQIMCFD-KFWWJZLASA-N 1 2 323.437 0.424 10 0 DCAELO CCOC(=O)C[C@H](O)C[N@@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000312659508 396766614 /nfs/dbraw/zinc/76/66/14/396766614.db2.gz GROZUDVBKKPKPL-RYUDHWBXSA-N 1 2 307.412 0.057 10 0 DCAELO CCOC(=O)C[C@H](O)C[N@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000312659508 396766618 /nfs/dbraw/zinc/76/66/18/396766618.db2.gz GROZUDVBKKPKPL-RYUDHWBXSA-N 1 2 307.412 0.057 10 0 DCAELO O=S(=O)(CC[C@H]1CCCO1)NC[C@@H]1CCn2cc[nH+]c2C1 ZINC000328639755 396828916 /nfs/dbraw/zinc/82/89/16/396828916.db2.gz XBYOFKCPQZLLNU-CHWSQXEVSA-N 1 2 313.423 0.934 10 0 DCAELO COC(=O)[C@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)C1CC1 ZINC000611614004 396894696 /nfs/dbraw/zinc/89/46/96/396894696.db2.gz AAFNRHBDRCDBHE-SWLSCSKDSA-N 1 2 317.389 0.905 10 0 DCAELO CN1CC[NH+](C[C@@H]2CN(C(=O)N[C@H]3CC3(C)C)CCO2)CC1 ZINC000601270911 397038020 /nfs/dbraw/zinc/03/80/20/397038020.db2.gz BQCNYFBCASOZFM-KGLIPLIRSA-N 1 2 310.442 0.443 10 0 DCAELO c1c([C@@H]2COCC[NH2+]2)nnn1C[C@H]1COc2ccccc2O1 ZINC000630604378 397059050 /nfs/dbraw/zinc/05/90/50/397059050.db2.gz VZSJHRPWGFFOQG-AAEUAGOBSA-N 1 2 302.334 0.779 10 0 DCAELO CN(C1CCCCC1)S(=O)(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000407970207 397341764 /nfs/dbraw/zinc/34/17/64/397341764.db2.gz BDZPXKFRAHRNHY-ZDUSSCGKSA-N 1 2 305.444 0.416 10 0 DCAELO CN(C1CCCCC1)S(=O)(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000407970207 397341766 /nfs/dbraw/zinc/34/17/66/397341766.db2.gz BDZPXKFRAHRNHY-ZDUSSCGKSA-N 1 2 305.444 0.416 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC(CC(N)=O)C1)C2 ZINC000366542021 397372920 /nfs/dbraw/zinc/37/29/20/397372920.db2.gz IDYZFQGCXQCIHQ-LLVKDONJSA-N 1 2 304.394 0.972 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC(CC(N)=O)C1)CC2 ZINC000366542021 397372924 /nfs/dbraw/zinc/37/29/24/397372924.db2.gz IDYZFQGCXQCIHQ-LLVKDONJSA-N 1 2 304.394 0.972 10 0 DCAELO Cn1ccc(CCNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)n1 ZINC000578103494 397390227 /nfs/dbraw/zinc/39/02/27/397390227.db2.gz GFVKPHYJHWVBGN-UHFFFAOYSA-N 1 2 312.333 0.365 10 0 DCAELO COC(=O)C(C)(C)[NH+]1CCN(c2ncnc3c2ncn3C)CC1 ZINC000614523918 397464079 /nfs/dbraw/zinc/46/40/79/397464079.db2.gz IUEQPFNZXYAPID-UHFFFAOYSA-N 1 2 318.381 0.437 10 0 DCAELO NS(=O)(=O)c1ccc(C(=O)Nc2ccc3[nH+]ccn3c2)o1 ZINC000603883640 397625598 /nfs/dbraw/zinc/62/55/98/397625598.db2.gz IAFIBBXRASGAST-UHFFFAOYSA-N 1 2 306.303 0.827 10 0 DCAELO C[C@@H]1CCNC(=O)[C@@H]1NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000193753910 296570697 /nfs/dbraw/zinc/57/06/97/296570697.db2.gz KUHCECRCCLPRQY-ZYHUDNBSSA-N 1 2 305.382 0.471 10 0 DCAELO COCCCCS(=O)(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000184872475 292324359 /nfs/dbraw/zinc/32/43/59/292324359.db2.gz XPAVAYXMVWZDDZ-UHFFFAOYSA-N 1 2 308.444 0.131 10 0 DCAELO C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+]1CCNC(=O)CC1 ZINC000054258133 158020319 /nfs/dbraw/zinc/02/03/19/158020319.db2.gz HUTLQVWTDAZWRN-VXGBXAGGSA-N 1 2 310.398 0.213 10 0 DCAELO C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+]1CCNC(=O)CC1 ZINC000054258133 158020321 /nfs/dbraw/zinc/02/03/21/158020321.db2.gz HUTLQVWTDAZWRN-VXGBXAGGSA-N 1 2 310.398 0.213 10 0 DCAELO CCC[C@H](NC(N)=O)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000064290188 158033221 /nfs/dbraw/zinc/03/32/21/158033221.db2.gz RVHFPOOQNSRXTB-LBPRGKRZSA-N 1 2 316.365 0.721 10 0 DCAELO C[C@@H](CNC(=O)c1nc2ccccc2c(=O)[nH]1)[NH+]1CCOCC1 ZINC000073655530 158054870 /nfs/dbraw/zinc/05/48/70/158054870.db2.gz UTUJYJURQKFPKH-NSHDSACASA-N 1 2 316.361 0.374 10 0 DCAELO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000078334078 158073411 /nfs/dbraw/zinc/07/34/11/158073411.db2.gz VVIMVBZBKKNTRL-CQSZACIVSA-N 1 2 324.469 0.530 10 0 DCAELO C[C@H](CNC(=O)N[C@H]1c2ccccc2C[C@@H]1O)[NH+]1CCOCC1 ZINC000079159038 158077729 /nfs/dbraw/zinc/07/77/29/158077729.db2.gz BJEYZFKRFYIOSZ-KCXAZCMYSA-N 1 2 319.405 0.665 10 0 DCAELO C[C@H](Oc1cccc(C=O)c1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000109264579 158136995 /nfs/dbraw/zinc/13/69/95/158136995.db2.gz VGAQXMLOCTWEKF-WFASDCNBSA-N 1 2 306.362 0.713 10 0 DCAELO C[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1)C(=O)N(C)C ZINC000114482419 158155139 /nfs/dbraw/zinc/15/51/39/158155139.db2.gz GHXLSBLUXPHMJA-WCQYABFASA-N 1 2 307.398 0.530 10 0 DCAELO C[C@H](NC(=O)C[N@H+]1CCCC[C@@H]1c1cn[nH]c1)C(=O)N(C)C ZINC000114482419 158155142 /nfs/dbraw/zinc/15/51/42/158155142.db2.gz GHXLSBLUXPHMJA-WCQYABFASA-N 1 2 307.398 0.530 10 0 DCAELO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116887733 158167671 /nfs/dbraw/zinc/16/76/71/158167671.db2.gz GHBORPCVBITATO-XQQFMLRXSA-N 1 2 317.455 0.399 10 0 DCAELO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116887733 158167672 /nfs/dbraw/zinc/16/76/72/158167672.db2.gz GHBORPCVBITATO-XQQFMLRXSA-N 1 2 317.455 0.399 10 0 DCAELO C[C@H]1CN(S(=O)(=O)N(C)Cc2[nH+]ccn2C)C[C@H](C)O1 ZINC000119309446 158184980 /nfs/dbraw/zinc/18/49/80/158184980.db2.gz OGINISCMZTTWLS-QWRGUYRKSA-N 1 2 302.400 0.206 10 0 DCAELO COc1cccc([C@H](O)C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000119562215 158189138 /nfs/dbraw/zinc/18/91/38/158189138.db2.gz SQBNCUCQKWCIKK-HOCLYGCPSA-N 1 2 320.389 0.662 10 0 DCAELO C[C@H](CNC(=O)N[C@H](CO)c1ccccc1)[NH+]1CCOCC1 ZINC000123118320 158226588 /nfs/dbraw/zinc/22/65/88/158226588.db2.gz WILUMYRAHWKCGQ-UKRRQHHQSA-N 1 2 307.394 0.740 10 0 DCAELO O=S(=O)(Cc1ccccc1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000123656676 158233013 /nfs/dbraw/zinc/23/30/13/158233013.db2.gz PPTJQPLQIIBCCL-OAHLLOKOSA-N 1 2 310.419 0.969 10 0 DCAELO O=S(=O)(Cc1ccccc1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000123656676 158233015 /nfs/dbraw/zinc/23/30/15/158233015.db2.gz PPTJQPLQIIBCCL-OAHLLOKOSA-N 1 2 310.419 0.969 10 0 DCAELO O=C(C[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1)N1CCCC1 ZINC000128458007 158280724 /nfs/dbraw/zinc/28/07/24/158280724.db2.gz GPFGBGUDEVRMJH-ZDUSSCGKSA-N 1 2 315.439 0.109 10 0 DCAELO O=C(C[N@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1)N1CCCC1 ZINC000128458007 158280726 /nfs/dbraw/zinc/28/07/26/158280726.db2.gz GPFGBGUDEVRMJH-ZDUSSCGKSA-N 1 2 315.439 0.109 10 0 DCAELO CC(C)[C@@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)C(N)=O ZINC000134756590 158331080 /nfs/dbraw/zinc/33/10/80/158331080.db2.gz VUUBDJHMSKEVCK-CQSZACIVSA-N 1 2 319.409 0.860 10 0 DCAELO CCc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000155288563 158350625 /nfs/dbraw/zinc/35/06/25/158350625.db2.gz TXYZZVCVHKTTSE-VXGBXAGGSA-N 1 2 322.413 0.305 10 0 DCAELO CCc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000155288563 158350626 /nfs/dbraw/zinc/35/06/26/158350626.db2.gz TXYZZVCVHKTTSE-VXGBXAGGSA-N 1 2 322.413 0.305 10 0 DCAELO O=C([C@H]1Cc2ccccc2O1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172761704 158399884 /nfs/dbraw/zinc/39/98/84/158399884.db2.gz YEEHQFFWAWOGQV-GDBMZVCRSA-N 1 2 302.374 0.923 10 0 DCAELO Cc1noc([C@@H](C)N2CC[NH+]([C@H]3CCN(C4CC4)C3=O)CC2)n1 ZINC000328669555 159019571 /nfs/dbraw/zinc/01/95/71/159019571.db2.gz MBUUGFJJMLDBMN-RISCZKNCSA-N 1 2 319.409 0.820 10 0 DCAELO C[C@@H]1CN(C(=O)[C@@H]2CCc3n[nH]nc3C2)C[C@H]1[NH+]1CCOCC1 ZINC000328766018 159028415 /nfs/dbraw/zinc/02/84/15/159028415.db2.gz GZXBKQNZAKNWGI-LALPHHSUSA-N 1 2 319.409 0.089 10 0 DCAELO Cc1cc(C)n([C@H](C)C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)n1 ZINC000328888406 159038048 /nfs/dbraw/zinc/03/80/48/159038048.db2.gz QBVLQRDTMQWCTN-KFWWJZLASA-N 1 2 306.410 0.992 10 0 DCAELO Cc1cc(C)n([C@H](C)C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)n1 ZINC000328888406 159038049 /nfs/dbraw/zinc/03/80/49/159038049.db2.gz QBVLQRDTMQWCTN-KFWWJZLASA-N 1 2 306.410 0.992 10 0 DCAELO O=C(C[C@@H]1NC(=O)NC1=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000328916300 159041269 /nfs/dbraw/zinc/04/12/69/159041269.db2.gz AIKTZQPNULTXJJ-QWRGUYRKSA-N 1 2 304.306 0.704 10 0 DCAELO COc1ccc2nc(CN3CC[C@H]4OCC[N@H+](C)[C@@H]4C3)[nH]c2n1 ZINC000328930117 159042795 /nfs/dbraw/zinc/04/27/95/159042795.db2.gz YYCVCUZUSIRSDX-CHWSQXEVSA-N 1 2 317.393 0.871 10 0 DCAELO COc1ccc2nc(CN3CC[C@H]4OCC[N@@H+](C)[C@@H]4C3)[nH]c2n1 ZINC000328930117 159042797 /nfs/dbraw/zinc/04/27/97/159042797.db2.gz YYCVCUZUSIRSDX-CHWSQXEVSA-N 1 2 317.393 0.871 10 0 DCAELO COc1ccc2nc(C[N@@H+]3CC[C@H]4OCCN(C)[C@@H]4C3)[nH]c2n1 ZINC000328930117 159042800 /nfs/dbraw/zinc/04/28/00/159042800.db2.gz YYCVCUZUSIRSDX-CHWSQXEVSA-N 1 2 317.393 0.871 10 0 DCAELO COc1ccc2nc(C[N@H+]3CC[C@H]4OCCN(C)[C@@H]4C3)[nH]c2n1 ZINC000328930117 159042802 /nfs/dbraw/zinc/04/28/02/159042802.db2.gz YYCVCUZUSIRSDX-CHWSQXEVSA-N 1 2 317.393 0.871 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)COc3ccc(O)cc3)C[C@H]21 ZINC000328932292 159043139 /nfs/dbraw/zinc/04/31/39/159043139.db2.gz DHXKFUZBFZUAFT-HUUCEWRRSA-N 1 2 306.362 0.703 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)COc3ccc(O)cc3)C[C@H]21 ZINC000328932292 159043140 /nfs/dbraw/zinc/04/31/40/159043140.db2.gz DHXKFUZBFZUAFT-HUUCEWRRSA-N 1 2 306.362 0.703 10 0 DCAELO CCn1nc(C)c(S(=O)(=O)N2CC[NH+](C3CC3)CC2)c1C ZINC000329581535 159104964 /nfs/dbraw/zinc/10/49/64/159104964.db2.gz AEUOXVZMYJWTSJ-UHFFFAOYSA-N 1 2 312.439 0.989 10 0 DCAELO O=S(=O)(C[C@@H]1CCOC1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000329870521 159124924 /nfs/dbraw/zinc/12/49/24/159124924.db2.gz ADJLWEWWXCJKGB-OCCSQVGLSA-N 1 2 312.391 0.901 10 0 DCAELO Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000330089702 159141184 /nfs/dbraw/zinc/14/11/84/159141184.db2.gz WBKOZWHRFFWQQM-FAAHXZRKSA-N 1 2 320.393 0.039 10 0 DCAELO Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000330089702 159141186 /nfs/dbraw/zinc/14/11/86/159141186.db2.gz WBKOZWHRFFWQQM-FAAHXZRKSA-N 1 2 320.393 0.039 10 0 DCAELO C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)[C@@H]2[C@@H]3CCCO[C@H]23)C1 ZINC000330096496 159141620 /nfs/dbraw/zinc/14/16/20/159141620.db2.gz XMDVXPJTPYFNSX-CLWVCHIJSA-N 1 2 316.405 0.934 10 0 DCAELO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)[C@@H]2[C@@H]3CCCO[C@H]23)C1 ZINC000330096496 159141621 /nfs/dbraw/zinc/14/16/21/159141621.db2.gz XMDVXPJTPYFNSX-CLWVCHIJSA-N 1 2 316.405 0.934 10 0 DCAELO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N[C@H]1CCC(=O)N(C)C1)CCC2 ZINC000332694226 159210873 /nfs/dbraw/zinc/21/08/73/159210873.db2.gz WULJYBYQWQZULQ-OLZOCXBDSA-N 1 2 319.409 0.989 10 0 DCAELO C[C@H](NC(=O)C[N@@H+]1CCOCC[C@H]1C)C(=O)N1CCCCC1 ZINC000367662226 159349054 /nfs/dbraw/zinc/34/90/54/159349054.db2.gz NRYAWTVPHWJARA-KGLIPLIRSA-N 1 2 311.426 0.614 10 0 DCAELO C[C@H](NC(=O)C[N@H+]1CCOCC[C@H]1C)C(=O)N1CCCCC1 ZINC000367662226 159349056 /nfs/dbraw/zinc/34/90/56/159349056.db2.gz NRYAWTVPHWJARA-KGLIPLIRSA-N 1 2 311.426 0.614 10 0 DCAELO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000407989231 160004390 /nfs/dbraw/zinc/00/43/90/160004390.db2.gz GLOJQDBDYKNDRG-QLFBSQMISA-N 1 2 323.437 0.709 10 0 DCAELO CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000407989231 160004393 /nfs/dbraw/zinc/00/43/93/160004393.db2.gz GLOJQDBDYKNDRG-QLFBSQMISA-N 1 2 323.437 0.709 10 0 DCAELO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)NC2CCCC2)[C@@H](C)C1 ZINC000408010370 160010449 /nfs/dbraw/zinc/01/04/49/160010449.db2.gz UXRPKMAAGKJNQA-NWDGAFQWSA-N 1 2 305.444 0.150 10 0 DCAELO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)NC2CCCC2)[C@@H](C)C1 ZINC000408010370 160010450 /nfs/dbraw/zinc/01/04/50/160010450.db2.gz UXRPKMAAGKJNQA-NWDGAFQWSA-N 1 2 305.444 0.150 10 0 DCAELO CC(C)OCCS(=O)(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000408016023 160011970 /nfs/dbraw/zinc/01/19/70/160011970.db2.gz HBWPRVORZXMAFT-STQMWFEESA-N 1 2 306.428 0.146 10 0 DCAELO CC(C)OCCS(=O)(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000408016023 160011971 /nfs/dbraw/zinc/01/19/71/160011971.db2.gz HBWPRVORZXMAFT-STQMWFEESA-N 1 2 306.428 0.146 10 0 DCAELO C[C@H](NC(=O)c1ccoc1)C(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000408019818 160012827 /nfs/dbraw/zinc/01/28/27/160012827.db2.gz BBKRXGUPNKGERA-IACUBPJLSA-N 1 2 321.377 0.329 10 0 DCAELO C[C@H](NC(=O)c1ccoc1)C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000408019818 160012829 /nfs/dbraw/zinc/01/28/29/160012829.db2.gz BBKRXGUPNKGERA-IACUBPJLSA-N 1 2 321.377 0.329 10 0 DCAELO COCC[C@H](C)S(=O)(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000408018273 160012949 /nfs/dbraw/zinc/01/29/49/160012949.db2.gz ZPHMFMYAFMVJJR-YNEHKIRRSA-N 1 2 306.428 0.146 10 0 DCAELO COCC[C@H](C)S(=O)(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000408018273 160012951 /nfs/dbraw/zinc/01/29/51/160012951.db2.gz ZPHMFMYAFMVJJR-YNEHKIRRSA-N 1 2 306.428 0.146 10 0 DCAELO CCS(=O)(=O)NCC[N@@H+]1CCOC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000408046538 160021892 /nfs/dbraw/zinc/02/18/92/160021892.db2.gz XDXPLBZHKGEIGT-MGPQQGTHSA-N 1 2 320.455 0.178 10 0 DCAELO CCS(=O)(=O)NCC[N@H+]1CCOC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000408046538 160021895 /nfs/dbraw/zinc/02/18/95/160021895.db2.gz XDXPLBZHKGEIGT-MGPQQGTHSA-N 1 2 320.455 0.178 10 0 DCAELO C[C@@H](O)C(=O)N1CCN(c2nc(C3CC3)[nH+]c3c2CCC3)CC1 ZINC000408048201 160023080 /nfs/dbraw/zinc/02/30/80/160023080.db2.gz LTTWWNKIKZIRBE-LLVKDONJSA-N 1 2 316.405 0.872 10 0 DCAELO CC(C)CN(C)S(=O)(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000408136471 160045291 /nfs/dbraw/zinc/04/52/91/160045291.db2.gz FASBLYXMFFNIHJ-ZDUSSCGKSA-N 1 2 305.444 0.226 10 0 DCAELO COC(=O)[C@H]1CC12CCN(C(=O)[C@@H](C)[NH+]1CCOCC1)CC2 ZINC000408158894 160049666 /nfs/dbraw/zinc/04/96/66/160049666.db2.gz PBZABIFASHLKAT-CHWSQXEVSA-N 1 2 310.394 0.509 10 0 DCAELO CC[C@@H]1CN(S(=O)(=O)N2CCCC2)CC[N@H+]1CCOC ZINC000408184447 160055431 /nfs/dbraw/zinc/05/54/31/160055431.db2.gz YFFCZNQNIAZBMT-CYBMUJFWSA-N 1 2 305.444 0.370 10 0 DCAELO CC[C@@H]1CN(S(=O)(=O)N2CCCC2)CC[N@@H+]1CCOC ZINC000408184447 160055429 /nfs/dbraw/zinc/05/54/29/160055429.db2.gz YFFCZNQNIAZBMT-CYBMUJFWSA-N 1 2 305.444 0.370 10 0 DCAELO C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+](C)C[C@H]2CCS(=O)(=O)C2)C1 ZINC000408219874 160063070 /nfs/dbraw/zinc/06/30/70/160063070.db2.gz RAKVWZKHEBHBKP-HZSPNIEDSA-N 1 2 316.467 0.857 10 0 DCAELO C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+](C)C[C@H]2CCS(=O)(=O)C2)C1 ZINC000408219874 160063071 /nfs/dbraw/zinc/06/30/71/160063071.db2.gz RAKVWZKHEBHBKP-HZSPNIEDSA-N 1 2 316.467 0.857 10 0 DCAELO C[C@@H](O)C1CCN(S(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000408241183 160066979 /nfs/dbraw/zinc/06/69/79/160066979.db2.gz IATYBJJLYUNCHW-CYBMUJFWSA-N 1 2 320.455 0.131 10 0 DCAELO Cc1cc[nH+]cc1N1CCN(C(=O)[C@@]2(O)CCSC2)CC1 ZINC000408261682 160071427 /nfs/dbraw/zinc/07/14/27/160071427.db2.gz SLUXRTBUWFTMET-OAHLLOKOSA-N 1 2 307.419 0.907 10 0 DCAELO CC(C)[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000408275033 160074350 /nfs/dbraw/zinc/07/43/50/160074350.db2.gz SCMVDNJLKUMYLU-OLZOCXBDSA-N 1 2 311.426 0.456 10 0 DCAELO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)NC2CCCC2)CC1 ZINC000408379056 160095200 /nfs/dbraw/zinc/09/52/00/160095200.db2.gz IOHLKPGETQUQFK-ZDUSSCGKSA-N 1 2 305.444 0.152 10 0 DCAELO COC(=O)CCN1CC[N@H+](C[C@H](C)CS(C)(=O)=O)[C@H](C)C1 ZINC000245904930 287074215 /nfs/dbraw/zinc/07/42/15/287074215.db2.gz SXJNTPRWWJMPAZ-QWHCGFSZSA-N 1 2 320.455 0.236 10 0 DCAELO COC(=O)CCN1CC[N@@H+](C[C@H](C)CS(C)(=O)=O)[C@H](C)C1 ZINC000245904930 287074216 /nfs/dbraw/zinc/07/42/16/287074216.db2.gz SXJNTPRWWJMPAZ-QWHCGFSZSA-N 1 2 320.455 0.236 10 0 DCAELO COC(=O)CC[N@@H+]1CCN(C[C@H](C)CS(C)(=O)=O)[C@H](C)C1 ZINC000245904930 287074218 /nfs/dbraw/zinc/07/42/18/287074218.db2.gz SXJNTPRWWJMPAZ-QWHCGFSZSA-N 1 2 320.455 0.236 10 0 DCAELO COC(=O)CC[N@H+]1CCN(C[C@H](C)CS(C)(=O)=O)[C@H](C)C1 ZINC000245904930 287074219 /nfs/dbraw/zinc/07/42/19/287074219.db2.gz SXJNTPRWWJMPAZ-QWHCGFSZSA-N 1 2 320.455 0.236 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@H]2CCOC2)nc[nH+]1 ZINC000246515246 287084819 /nfs/dbraw/zinc/08/48/19/287084819.db2.gz IOCLEDOJNZQUDH-NWDGAFQWSA-N 1 2 320.397 0.575 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@H]2CCOC2)[nH+]cn1 ZINC000246515246 287084821 /nfs/dbraw/zinc/08/48/21/287084821.db2.gz IOCLEDOJNZQUDH-NWDGAFQWSA-N 1 2 320.397 0.575 10 0 DCAELO C[C@@H](NC(=O)N1CCC([C@H](C)O)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000247347692 287093095 /nfs/dbraw/zinc/09/30/95/287093095.db2.gz KZVQFFSYDOPLFS-RDBSUJKOSA-N 1 2 313.442 0.898 10 0 DCAELO COCC[N@@H+]1CCN(S(=O)(=O)[C@@H]2CCO[C@H]2C)C[C@@H]1C ZINC000248972119 287104334 /nfs/dbraw/zinc/10/43/34/287104334.db2.gz SYLHGBFFLXYCFM-RWMBFGLXSA-N 1 2 306.428 0.146 10 0 DCAELO COCC[N@H+]1CCN(S(=O)(=O)[C@@H]2CCO[C@H]2C)C[C@@H]1C ZINC000248972119 287104335 /nfs/dbraw/zinc/10/43/35/287104335.db2.gz SYLHGBFFLXYCFM-RWMBFGLXSA-N 1 2 306.428 0.146 10 0 DCAELO C[C@](O)(CNC(=O)NCC[NH+]1CCOCC1)C1CCCCC1 ZINC000358314215 287207217 /nfs/dbraw/zinc/20/72/17/287207217.db2.gz VEOMDGRFOPREIV-INIZCTEOSA-N 1 2 313.442 0.949 10 0 DCAELO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000332753505 415462247 /nfs/dbraw/zinc/46/22/47/415462247.db2.gz IHCOHZTZRFEOHH-XJFOESAGSA-N 1 2 324.425 0.016 10 0 DCAELO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000332753505 415462253 /nfs/dbraw/zinc/46/22/53/415462253.db2.gz IHCOHZTZRFEOHH-XJFOESAGSA-N 1 2 324.425 0.016 10 0 DCAELO COCC1(CNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)CCC1 ZINC000332761843 415464655 /nfs/dbraw/zinc/46/46/55/415464655.db2.gz UNORXHIBUAJVOE-UONOGXRCSA-N 1 2 311.426 0.918 10 0 DCAELO COCC1(CNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)CCC1 ZINC000332761843 415464661 /nfs/dbraw/zinc/46/46/61/415464661.db2.gz UNORXHIBUAJVOE-UONOGXRCSA-N 1 2 311.426 0.918 10 0 DCAELO CC(=O)N[C@H](CC1CCC1)C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000332755920 415465643 /nfs/dbraw/zinc/46/56/43/415465643.db2.gz KUIJYSCUTGIQNB-OWCLPIDISA-N 1 2 323.437 0.613 10 0 DCAELO CC(=O)N[C@H](CC1CCC1)C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000332755920 415465648 /nfs/dbraw/zinc/46/56/48/415465648.db2.gz KUIJYSCUTGIQNB-OWCLPIDISA-N 1 2 323.437 0.613 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCC3([S@@](C)=O)CC3)C[C@@H]21 ZINC000332761546 415465724 /nfs/dbraw/zinc/46/57/24/415465724.db2.gz STTZADZCQGZGFI-QLMNROTDSA-N 1 2 315.439 0.012 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCC3([S@@](C)=O)CC3)C[C@@H]21 ZINC000332761546 415465729 /nfs/dbraw/zinc/46/57/29/415465729.db2.gz STTZADZCQGZGFI-QLMNROTDSA-N 1 2 315.439 0.012 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCC[C@H]3CCO)C[C@H]21 ZINC000332786872 415479007 /nfs/dbraw/zinc/47/90/07/415479007.db2.gz VDOFHIJHXBJHBS-GBJTYRQASA-N 1 2 311.426 0.652 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCC[C@H]3CCO)C[C@H]21 ZINC000332786872 415479014 /nfs/dbraw/zinc/47/90/14/415479014.db2.gz VDOFHIJHXBJHBS-GBJTYRQASA-N 1 2 311.426 0.652 10 0 DCAELO CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000333192569 415580622 /nfs/dbraw/zinc/58/06/22/415580622.db2.gz SLZSCTXFXRUQCL-XJFOESAGSA-N 1 2 301.456 0.340 10 0 DCAELO CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000333192569 415580627 /nfs/dbraw/zinc/58/06/27/415580627.db2.gz SLZSCTXFXRUQCL-XJFOESAGSA-N 1 2 301.456 0.340 10 0 DCAELO Cc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000333273380 415597835 /nfs/dbraw/zinc/59/78/35/415597835.db2.gz NZTVBALKXNXGIT-NEPJUHHUSA-N 1 2 308.386 0.051 10 0 DCAELO Cc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000333273380 415597841 /nfs/dbraw/zinc/59/78/41/415597841.db2.gz NZTVBALKXNXGIT-NEPJUHHUSA-N 1 2 308.386 0.051 10 0 DCAELO C[C@H]1C[C@H](S(=O)(=O)NCC[N@@H+]2CCOCC2(C)C)CCO1 ZINC000333492956 415665822 /nfs/dbraw/zinc/66/58/22/415665822.db2.gz ZRSNIHJSCCYPHX-QWHCGFSZSA-N 1 2 320.455 0.584 10 0 DCAELO C[C@H]1C[C@H](S(=O)(=O)NCC[N@H+]2CCOCC2(C)C)CCO1 ZINC000333492956 415665826 /nfs/dbraw/zinc/66/58/26/415665826.db2.gz ZRSNIHJSCCYPHX-QWHCGFSZSA-N 1 2 320.455 0.584 10 0 DCAELO CCn1cncc1S(=O)(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000333531268 415674826 /nfs/dbraw/zinc/67/48/26/415674826.db2.gz YASBBCLNEBYGEX-UHFFFAOYSA-N 1 2 323.422 0.957 10 0 DCAELO CO[C@H]1C[C@@H](C(N)=O)N(c2cc(C)[nH+]c(-c3ccncc3)n2)C1 ZINC000343729855 415703617 /nfs/dbraw/zinc/70/36/17/415703617.db2.gz YQEKQOVGNILLTB-STQMWFEESA-N 1 2 313.361 0.926 10 0 DCAELO C[C@H](NC(=O)NC[C@@H]1C[N@H+](C)CCO1)C(=O)Nc1ccccc1 ZINC000112111342 415703714 /nfs/dbraw/zinc/70/37/14/415703714.db2.gz SSIBGHQTXDIZQM-GXTWGEPZSA-N 1 2 320.393 0.643 10 0 DCAELO C[C@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCO1)C(=O)Nc1ccccc1 ZINC000112111342 415703722 /nfs/dbraw/zinc/70/37/22/415703722.db2.gz SSIBGHQTXDIZQM-GXTWGEPZSA-N 1 2 320.393 0.643 10 0 DCAELO COCCOc1cccc(CC(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000121392699 415804972 /nfs/dbraw/zinc/80/49/72/415804972.db2.gz SDRLBVFSNGMASS-MRXNPFEDSA-N 1 2 322.405 0.701 10 0 DCAELO COCCOc1cccc(CC(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000121392699 415804978 /nfs/dbraw/zinc/80/49/78/415804978.db2.gz SDRLBVFSNGMASS-MRXNPFEDSA-N 1 2 322.405 0.701 10 0 DCAELO Cn1ncc(Br)c1CNC[C@@H]1C[N@H+](C)CCO1 ZINC000336697457 415815147 /nfs/dbraw/zinc/81/51/47/415815147.db2.gz IYSMVQJCJCLULN-SECBINFHSA-N 1 2 303.204 0.603 10 0 DCAELO Cn1ncc(Br)c1CNC[C@@H]1C[N@@H+](C)CCO1 ZINC000336697457 415815155 /nfs/dbraw/zinc/81/51/55/415815155.db2.gz IYSMVQJCJCLULN-SECBINFHSA-N 1 2 303.204 0.603 10 0 DCAELO CN1C[C@H](NC(=O)N2CCN(c3cccc[nH+]3)CC2)CCC1=O ZINC000128673644 415901562 /nfs/dbraw/zinc/90/15/62/415901562.db2.gz ILBLBNAWJOAFCF-CYBMUJFWSA-N 1 2 317.393 0.534 10 0 DCAELO Cc1cc(O)cc(=O)n1CC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000134024607 415954073 /nfs/dbraw/zinc/95/40/73/415954073.db2.gz CHQRUBOWCJOODW-CYBMUJFWSA-N 1 2 316.361 0.750 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccnn2C)nc[nH+]1 ZINC000173422273 416058792 /nfs/dbraw/zinc/05/87/92/416058792.db2.gz XLWSKAKHETVCSU-LLVKDONJSA-N 1 2 315.381 0.651 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccnn2C)[nH+]cn1 ZINC000173422273 416058796 /nfs/dbraw/zinc/05/87/96/416058796.db2.gz XLWSKAKHETVCSU-LLVKDONJSA-N 1 2 315.381 0.651 10 0 DCAELO Cc1nnc([C@@H]2CN(C(=O)c3ccc4[nH+]ccn4c3)CCO2)[nH]1 ZINC000173549814 416060966 /nfs/dbraw/zinc/06/09/66/416060966.db2.gz UCNZVDFASMRRLA-LBPRGKRZSA-N 1 2 312.333 0.975 10 0 DCAELO Cc1nc([C@@H]2CN(C(=O)c3ccc4[nH+]ccn4c3)CCO2)n[nH]1 ZINC000173549814 416060969 /nfs/dbraw/zinc/06/09/69/416060969.db2.gz UCNZVDFASMRRLA-LBPRGKRZSA-N 1 2 312.333 0.975 10 0 DCAELO CCCCOCCNC(=O)C[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000174746358 416086286 /nfs/dbraw/zinc/08/62/86/416086286.db2.gz MGEHGWKQNWWINB-GFCCVEGCSA-N 1 2 312.332 0.918 10 0 DCAELO CCCCOCCNC(=O)C[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000174746358 416086289 /nfs/dbraw/zinc/08/62/89/416086289.db2.gz MGEHGWKQNWWINB-GFCCVEGCSA-N 1 2 312.332 0.918 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@@H](C)CCO)nc[nH+]1 ZINC000175148641 416097892 /nfs/dbraw/zinc/09/78/92/416097892.db2.gz NFVPKYWYIXNNGU-NWDGAFQWSA-N 1 2 322.413 0.557 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@@H](C)CCO)[nH+]cn1 ZINC000175148641 416097895 /nfs/dbraw/zinc/09/78/95/416097895.db2.gz NFVPKYWYIXNNGU-NWDGAFQWSA-N 1 2 322.413 0.557 10 0 DCAELO CC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@](O)(CO)C2)c1 ZINC000313630914 416107815 /nfs/dbraw/zinc/10/78/15/416107815.db2.gz PQROKTLIEZSIKQ-MRXNPFEDSA-N 1 2 306.362 0.647 10 0 DCAELO CC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@](O)(CO)C2)c1 ZINC000313630914 416107817 /nfs/dbraw/zinc/10/78/17/416107817.db2.gz PQROKTLIEZSIKQ-MRXNPFEDSA-N 1 2 306.362 0.647 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)NCc2ccc3cc[nH]c3n2)C1 ZINC000357768363 416130403 /nfs/dbraw/zinc/13/04/03/416130403.db2.gz XKLZPVDTZIRKRQ-CYBMUJFWSA-N 1 2 303.366 0.693 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)NCc2ccc3cc[nH]c3n2)C1 ZINC000357768363 416130406 /nfs/dbraw/zinc/13/04/06/416130406.db2.gz XKLZPVDTZIRKRQ-CYBMUJFWSA-N 1 2 303.366 0.693 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)C[C@H]21 ZINC000328874397 416135963 /nfs/dbraw/zinc/13/59/63/416135963.db2.gz JKAREAARDAWMFP-BFHYXJOUSA-N 1 2 323.437 0.565 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)C[C@H]21 ZINC000328874397 416135964 /nfs/dbraw/zinc/13/59/64/416135964.db2.gz JKAREAARDAWMFP-BFHYXJOUSA-N 1 2 323.437 0.565 10 0 DCAELO C[C@@H]1CCCN1S(=O)(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000328889128 416137651 /nfs/dbraw/zinc/13/76/51/416137651.db2.gz QPVDWPSMEVRGBZ-FRRDWIJNSA-N 1 2 303.428 0.120 10 0 DCAELO C[C@@H]1CCCN1S(=O)(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000328889128 416137654 /nfs/dbraw/zinc/13/76/54/416137654.db2.gz QPVDWPSMEVRGBZ-FRRDWIJNSA-N 1 2 303.428 0.120 10 0 DCAELO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)C[C@H](O)CN1CCCC1=O ZINC000177046497 416140596 /nfs/dbraw/zinc/14/05/96/416140596.db2.gz OLDQBWBLKUUDQD-NEPJUHHUSA-N 1 2 300.399 0.632 10 0 DCAELO C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)C[C@H](O)CN1CCCC1=O ZINC000177046497 416140597 /nfs/dbraw/zinc/14/05/97/416140597.db2.gz OLDQBWBLKUUDQD-NEPJUHHUSA-N 1 2 300.399 0.632 10 0 DCAELO C[C@H]1C[N@H+](Cc2nnc(C3CC3)n2C)C[C@@H]1N1CCOCC1 ZINC000177233623 416141692 /nfs/dbraw/zinc/14/16/92/416141692.db2.gz LARVBZPQZOAYLH-JSGCOSHPSA-N 1 2 305.426 0.845 10 0 DCAELO C[C@H]1C[N@@H+](Cc2nnc(C3CC3)n2C)C[C@@H]1N1CCOCC1 ZINC000177233623 416141696 /nfs/dbraw/zinc/14/16/96/416141696.db2.gz LARVBZPQZOAYLH-JSGCOSHPSA-N 1 2 305.426 0.845 10 0 DCAELO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1cc(-c2ccncc2)on1 ZINC000178651039 416167500 /nfs/dbraw/zinc/16/75/00/416167500.db2.gz XETCULGETMRNMO-ZDUSSCGKSA-N 1 2 313.361 0.466 10 0 DCAELO Cc1cc(NC(=O)C(=O)NC[C@H]2C[NH+]3CCN2CC3)ccc1F ZINC000178957898 416180085 /nfs/dbraw/zinc/18/00/85/416180085.db2.gz PNWQQITUVZFOGI-ZDUSSCGKSA-N 1 2 320.368 0.189 10 0 DCAELO Cc1ccc([C@H](C)[NH2+]Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)o1 ZINC000182565316 416226429 /nfs/dbraw/zinc/22/64/29/416226429.db2.gz HONMTCSBPMDTFQ-VIFPVBQESA-N 1 2 317.349 0.713 10 0 DCAELO Cc1noc([C@H]2C[C@H](O)C[N@@H+]2CCC(=O)NC2CCCC2)n1 ZINC000357967881 416161721 /nfs/dbraw/zinc/16/17/21/416161721.db2.gz ZEUGIAZUVPWBGE-QWHCGFSZSA-N 1 2 308.382 0.935 10 0 DCAELO Cc1noc([C@H]2C[C@H](O)C[N@H+]2CCC(=O)NC2CCCC2)n1 ZINC000357967881 416161724 /nfs/dbraw/zinc/16/17/24/416161724.db2.gz ZEUGIAZUVPWBGE-QWHCGFSZSA-N 1 2 308.382 0.935 10 0 DCAELO NS(=O)(=O)CCC[N@@H+]1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000178405499 416163505 /nfs/dbraw/zinc/16/35/05/416163505.db2.gz GNQZSJOEOJMPBN-VXGBXAGGSA-N 1 2 318.395 0.083 10 0 DCAELO NS(=O)(=O)CCC[N@H+]1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000178405499 416163507 /nfs/dbraw/zinc/16/35/07/416163507.db2.gz GNQZSJOEOJMPBN-VXGBXAGGSA-N 1 2 318.395 0.083 10 0 DCAELO CN(C(=O)C[N@@H+]1CCC[C@](O)(c2cn[nH]n2)C1)C1CCCCC1 ZINC000583617946 416477667 /nfs/dbraw/zinc/47/76/67/416477667.db2.gz MLHVOMXTIBUMPF-MRXNPFEDSA-N 1 2 321.425 0.879 10 0 DCAELO CN(C(=O)C[N@H+]1CCC[C@](O)(c2cn[nH]n2)C1)C1CCCCC1 ZINC000583617946 416477670 /nfs/dbraw/zinc/47/76/70/416477670.db2.gz MLHVOMXTIBUMPF-MRXNPFEDSA-N 1 2 321.425 0.879 10 0 DCAELO CN(C(=O)C[N@@H+]1CCC[C@](O)(c2c[nH]nn2)C1)C1CCCCC1 ZINC000583617946 416477672 /nfs/dbraw/zinc/47/76/72/416477672.db2.gz MLHVOMXTIBUMPF-MRXNPFEDSA-N 1 2 321.425 0.879 10 0 DCAELO CN(C(=O)C[N@H+]1CCC[C@](O)(c2c[nH]nn2)C1)C1CCCCC1 ZINC000583617946 416477675 /nfs/dbraw/zinc/47/76/75/416477675.db2.gz MLHVOMXTIBUMPF-MRXNPFEDSA-N 1 2 321.425 0.879 10 0 DCAELO CC(C)(C)CCNC(=O)C[N@@H+]1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000583618034 416477757 /nfs/dbraw/zinc/47/77/57/416477757.db2.gz WLXHISBOFDFCSC-HNNXBMFYSA-N 1 2 309.414 0.641 10 0 DCAELO CC(C)(C)CCNC(=O)C[N@H+]1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000583618034 416477759 /nfs/dbraw/zinc/47/77/59/416477759.db2.gz WLXHISBOFDFCSC-HNNXBMFYSA-N 1 2 309.414 0.641 10 0 DCAELO CC(C)(C)CCNC(=O)C[N@@H+]1CCC[C@@](O)(c2c[nH]nn2)C1 ZINC000583618034 416477765 /nfs/dbraw/zinc/47/77/65/416477765.db2.gz WLXHISBOFDFCSC-HNNXBMFYSA-N 1 2 309.414 0.641 10 0 DCAELO CC(C)(C)CCNC(=O)C[N@H+]1CCC[C@@](O)(c2c[nH]nn2)C1 ZINC000583618034 416477768 /nfs/dbraw/zinc/47/77/68/416477768.db2.gz WLXHISBOFDFCSC-HNNXBMFYSA-N 1 2 309.414 0.641 10 0 DCAELO CNS(=O)(=O)CC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000434866501 416500953 /nfs/dbraw/zinc/50/09/53/416500953.db2.gz CVDRNSPSJKGYNJ-UHFFFAOYSA-N 1 2 322.390 0.097 10 0 DCAELO C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)c2ccc[nH]c2=O)C1 ZINC000369586436 416802624 /nfs/dbraw/zinc/80/26/24/416802624.db2.gz OBDGFQUQDAAUBH-GFCCVEGCSA-N 1 2 313.361 0.924 10 0 DCAELO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)c2ccc[nH]c2=O)C1 ZINC000369586436 416802633 /nfs/dbraw/zinc/80/26/33/416802633.db2.gz OBDGFQUQDAAUBH-GFCCVEGCSA-N 1 2 313.361 0.924 10 0 DCAELO O=C(NCCCN1CCCC1=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000523115870 417076656 /nfs/dbraw/zinc/07/66/56/417076656.db2.gz SCAZNWDCEFBLKS-UHFFFAOYSA-N 1 2 314.349 0.405 10 0 DCAELO COC[C@@H]1C[N@H+](CC(=O)N2C[C@H](C)O[C@@H](C)C2)CC(C)(C)O1 ZINC000408029428 417133726 /nfs/dbraw/zinc/13/37/26/417133726.db2.gz BUFJZTLULHAISY-IHRRRGAJSA-N 1 2 314.426 0.748 10 0 DCAELO COC[C@@H]1C[N@@H+](CC(=O)N2C[C@H](C)O[C@@H](C)C2)CC(C)(C)O1 ZINC000408029428 417133731 /nfs/dbraw/zinc/13/37/31/417133731.db2.gz BUFJZTLULHAISY-IHRRRGAJSA-N 1 2 314.426 0.748 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)NCCCC(=O)NC3CC3)C[C@@H]21 ZINC000569267966 417232902 /nfs/dbraw/zinc/23/29/02/417232902.db2.gz QXBGSDFGFTUDDH-KBPBESRZSA-N 1 2 324.425 0.160 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)NCCCC(=O)NC3CC3)C[C@@H]21 ZINC000569267966 417232908 /nfs/dbraw/zinc/23/29/08/417232908.db2.gz QXBGSDFGFTUDDH-KBPBESRZSA-N 1 2 324.425 0.160 10 0 DCAELO C[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(Br)c[nH]1 ZINC000628923940 417727564 /nfs/dbraw/zinc/72/75/64/417727564.db2.gz AFIIJFPVSHAUIV-SECBINFHSA-N 1 2 302.172 0.838 10 0 DCAELO C[N@H+]1CCOC[C@H]1CNC(=O)c1cc(Br)c[nH]1 ZINC000628923940 417727569 /nfs/dbraw/zinc/72/75/69/417727569.db2.gz AFIIJFPVSHAUIV-SECBINFHSA-N 1 2 302.172 0.838 10 0 DCAELO Cn1cc([C@H](CO)[NH2+]Cc2c(Br)cnn2C)cn1 ZINC000487536786 287538897 /nfs/dbraw/zinc/53/88/97/287538897.db2.gz LRZDXCBLEOFFKT-JTQLQIEISA-N 1 2 314.187 0.739 10 0 DCAELO C[C@@H]1CN(C(=O)NCc2ccc[nH+]c2N(C)C)C[C@@H](CO)O1 ZINC000188615872 261129862 /nfs/dbraw/zinc/12/98/62/261129862.db2.gz GAGKTYQPGDCTQA-YPMHNXCESA-N 1 2 308.382 0.439 10 0 DCAELO CC(=O)N1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000176934797 277001258 /nfs/dbraw/zinc/00/12/58/277001258.db2.gz XAAXWONVYTYZEZ-HUUCEWRRSA-N 1 2 309.410 0.178 10 0 DCAELO CCO[C@@H]1C[C@](NC(=O)Cc2c[nH+]cn2C)(C(=O)OC)C1(C)C ZINC000547728975 288073321 /nfs/dbraw/zinc/07/33/21/288073321.db2.gz MICVPVXPTLALSS-WBMJQRKESA-N 1 2 323.393 0.826 10 0 DCAELO Nc1cc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc(Cl)n1 ZINC000062985012 279695824 /nfs/dbraw/zinc/69/58/24/279695824.db2.gz UPQAYMNMDORMPR-NSHDSACASA-N 1 2 310.785 0.864 10 0 DCAELO C[C@@H]1C[N@@H+]([C@H]2CCc3ccccc3NC2=O)C[C@H](C(N)=O)O1 ZINC000248905762 288254471 /nfs/dbraw/zinc/25/44/71/288254471.db2.gz WMLGOPPWESENIC-DDTOSNHZSA-N 1 2 303.362 0.515 10 0 DCAELO C[C@@H]1C[N@H+]([C@H]2CCc3ccccc3NC2=O)C[C@H](C(N)=O)O1 ZINC000248905762 288254473 /nfs/dbraw/zinc/25/44/73/288254473.db2.gz WMLGOPPWESENIC-DDTOSNHZSA-N 1 2 303.362 0.515 10 0 DCAELO CC[NH+]1CCN(C(=O)C(=O)Nc2ccc3nccn3c2)CC1 ZINC000553040316 288284931 /nfs/dbraw/zinc/28/49/31/288284931.db2.gz ZJFROGYHDMXGOE-UHFFFAOYSA-N 1 2 301.350 0.437 10 0 DCAELO CC(C)OC(=O)CCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000553049647 288285228 /nfs/dbraw/zinc/28/52/28/288285228.db2.gz FQTQTQLUAWGNRV-UHFFFAOYSA-N 1 2 318.333 0.731 10 0 DCAELO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1CCn2ccnc2C1 ZINC000329503528 289047162 /nfs/dbraw/zinc/04/71/62/289047162.db2.gz AQYSDPQKAUPZGR-QLFBSQMISA-N 1 2 318.421 0.767 10 0 DCAELO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1ccnc2n[nH]nc21 ZINC000330211468 289047897 /nfs/dbraw/zinc/04/78/97/289047897.db2.gz CZIYJRZNWYJSJD-ZYHUDNBSSA-N 1 2 316.365 0.288 10 0 DCAELO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1CC[C@H](C(N)=O)O1 ZINC000329552049 297807294 /nfs/dbraw/zinc/80/72/94/297807294.db2.gz GAVGQTSXBAVOLP-LPWJVIDDSA-N 1 2 311.382 0.391 10 0 DCAELO C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000247208359 298147866 /nfs/dbraw/zinc/14/78/66/298147866.db2.gz UZTAUMJQGHALPV-GHMZBOCLSA-N 1 2 309.332 0.460 10 0 DCAELO C[C@H](C(=O)NCC(F)(F)F)[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000247208359 298147868 /nfs/dbraw/zinc/14/78/68/298147868.db2.gz UZTAUMJQGHALPV-GHMZBOCLSA-N 1 2 309.332 0.460 10 0 DCAELO C[C@H](C(=O)NCC(F)(F)F)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000247208359 298147870 /nfs/dbraw/zinc/14/78/70/298147870.db2.gz UZTAUMJQGHALPV-GHMZBOCLSA-N 1 2 309.332 0.460 10 0 DCAELO C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)S(C)(=O)=O ZINC000180160640 298189686 /nfs/dbraw/zinc/18/96/86/298189686.db2.gz LKRCKDBGWMRKJZ-KWCYVHTRSA-N 1 2 310.419 0.981 10 0 DCAELO C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)S(C)(=O)=O ZINC000180160640 298189689 /nfs/dbraw/zinc/18/96/89/298189689.db2.gz LKRCKDBGWMRKJZ-KWCYVHTRSA-N 1 2 310.419 0.981 10 0 DCAELO Cn1ncnc1-c1ccc(OC[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000190684144 336265504 /nfs/dbraw/zinc/26/55/04/336265504.db2.gz SIOAVPHVIBGPMB-AWEZNQCLSA-N 1 2 318.377 0.554 10 0 DCAELO CC(C)[C@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)CCO1 ZINC000576425258 341845674 /nfs/dbraw/zinc/84/56/74/341845674.db2.gz IHDYFPHCLKBPCT-UKRRQHHQSA-N 1 2 323.437 0.613 10 0 DCAELO CCN(C)C(=O)[C@H](C)NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000187979393 520206938 /nfs/dbraw/zinc/20/69/38/520206938.db2.gz PZVGSHXNIFOBPC-STQMWFEESA-N 1 2 307.398 0.924 10 0 DCAELO O=C(CN1CCCCCC1=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172742156 534527316 /nfs/dbraw/zinc/52/73/16/534527316.db2.gz ZZDRVJNISXQXSN-AWEZNQCLSA-N 1 2 309.410 0.322 10 0 DCAELO Cc1nc(N2CCN([C@@H](C)C(N)=O)CC2)c2c([nH+]1)CCCC2 ZINC000302121612 534620827 /nfs/dbraw/zinc/62/08/27/534620827.db2.gz YFLHVAUHJBMBDA-NSHDSACASA-N 1 2 303.410 0.660 10 0 DCAELO COC(=O)CC1(CC(=O)NC[C@H]2C[N@H+](C)CCO2)CCCC1 ZINC000189199545 522925433 /nfs/dbraw/zinc/92/54/33/522925433.db2.gz MJIZJNYBJRGYCS-ZDUSSCGKSA-N 1 2 312.410 0.947 10 0 DCAELO COC(=O)CC1(CC(=O)NC[C@H]2C[N@@H+](C)CCO2)CCCC1 ZINC000189199545 522925438 /nfs/dbraw/zinc/92/54/38/522925438.db2.gz MJIZJNYBJRGYCS-ZDUSSCGKSA-N 1 2 312.410 0.947 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2cccc(-n3ccnn3)c2)C1 ZINC000124874108 523938923 /nfs/dbraw/zinc/93/89/23/523938923.db2.gz KDAAHRXEQQKYEV-AWEZNQCLSA-N 1 2 301.350 0.328 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)c2cccc(-n3ccnn3)c2)C1 ZINC000124874108 523938926 /nfs/dbraw/zinc/93/89/26/523938926.db2.gz KDAAHRXEQQKYEV-AWEZNQCLSA-N 1 2 301.350 0.328 10 0 DCAELO COc1ccccc1COC[C@H](O)C[NH+]1CC(NC(C)=O)C1 ZINC000191731322 524494943 /nfs/dbraw/zinc/49/49/43/524494943.db2.gz RQQDAHPCTQYNJT-OAHLLOKOSA-N 1 2 308.378 0.393 10 0 DCAELO C[C@@H]1CN(C(=O)COC[C@H]2CCOC2)C[C@@H]1[NH+]1CCOCC1 ZINC000246916474 524787286 /nfs/dbraw/zinc/78/72/86/524787286.db2.gz IPFBGEVGOFPSER-ILXRZTDVSA-N 1 2 312.410 0.219 10 0 DCAELO O=Cc1cccc(OCC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000160449581 527152100 /nfs/dbraw/zinc/15/21/00/527152100.db2.gz LKPQHOKOYBFRHK-MRXNPFEDSA-N 1 2 318.373 0.857 10 0 DCAELO O=Cc1cccc(OCC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000160449581 527152107 /nfs/dbraw/zinc/15/21/07/527152107.db2.gz LKPQHOKOYBFRHK-MRXNPFEDSA-N 1 2 318.373 0.857 10 0 DCAELO CC1(C)COCC[N@@H+]1CCNC(=O)NCc1cc(C(N)=O)co1 ZINC000186923209 529131742 /nfs/dbraw/zinc/13/17/42/529131742.db2.gz QDYKZFBXGMDBJV-UHFFFAOYSA-N 1 2 324.381 0.289 10 0 DCAELO CC1(C)COCC[N@H+]1CCNC(=O)NCc1cc(C(N)=O)co1 ZINC000186923209 529131744 /nfs/dbraw/zinc/13/17/44/529131744.db2.gz QDYKZFBXGMDBJV-UHFFFAOYSA-N 1 2 324.381 0.289 10 0 DCAELO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)CC[C@H]2CCCO2)CC1 ZINC000123295962 545752886 /nfs/dbraw/zinc/75/28/86/545752886.db2.gz VFCFGACMZXIFJK-UONOGXRCSA-N 1 2 320.455 0.274 10 0 DCAELO Cc1ccccc1[C@@H]1C[C@H]1C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000128161049 545777830 /nfs/dbraw/zinc/77/78/30/545777830.db2.gz XNNSIBXFGDRRRA-BHYGNILZSA-N 1 2 318.417 0.908 10 0 DCAELO O=C(CC[C@H]1CCCCO1)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000132359443 545793757 /nfs/dbraw/zinc/79/37/57/545793757.db2.gz RQRYIAWGVAAIND-ZIAGYGMSSA-N 1 2 300.399 0.145 10 0 DCAELO C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)[C@@]2(O)CCSC2)C1 ZINC000275510623 545993566 /nfs/dbraw/zinc/99/35/66/545993566.db2.gz AXOCGFKKVHTHIK-IUODEOHRSA-N 1 2 322.434 0.377 10 0 DCAELO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)[C@@]2(O)CCSC2)C1 ZINC000275510623 545993568 /nfs/dbraw/zinc/99/35/68/545993568.db2.gz AXOCGFKKVHTHIK-IUODEOHRSA-N 1 2 322.434 0.377 10 0 DCAELO O[C@H](CNc1ncnc2c1CCCCC2)C[NH+]1CCOCC1 ZINC000333489666 546083296 /nfs/dbraw/zinc/08/32/96/546083296.db2.gz URXDRVQXDUEFBV-CYBMUJFWSA-N 1 2 306.410 0.851 10 0 DCAELO CC(=O)c1ccc(S(=O)(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000405326283 546230363 /nfs/dbraw/zinc/23/03/63/546230363.db2.gz XGIMKKVPHNHGGO-UONOGXRCSA-N 1 2 324.402 0.329 10 0 DCAELO CC(=O)c1ccc(S(=O)(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000405326283 546230366 /nfs/dbraw/zinc/23/03/66/546230366.db2.gz XGIMKKVPHNHGGO-UONOGXRCSA-N 1 2 324.402 0.329 10 0 DCAELO O=C(CNC(=O)c1ccc(F)cc1)N[C@H]1CCc2c[nH+]cn2C1 ZINC000606443577 546310489 /nfs/dbraw/zinc/31/04/89/546310489.db2.gz IDZGIVOUYDKETI-ZDUSSCGKSA-N 1 2 316.336 0.883 10 0 DCAELO CN(C)Cc1csc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)n1 ZINC000722392586 661109222 /nfs/dbraw/zinc/10/92/22/661109222.db2.gz BGTHHYYOMROBOU-SNVBAGLBSA-N 1 2 303.453 0.872 10 0 DCAELO CCOc1cc(C)nc(N2CC[NH+](CC(OC)OC)CC2)n1 ZINC000160964618 658744782 /nfs/dbraw/zinc/74/47/82/658744782.db2.gz YXPFTORCFFOOAU-UHFFFAOYSA-N 1 2 310.398 0.925 10 0 DCAELO CC(C)C(=O)N1CCC[C@H]1C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000181616739 665628427 /nfs/dbraw/zinc/62/84/27/665628427.db2.gz OJEALPGAKSMLEE-KBPBESRZSA-N 1 2 312.410 0.897 10 0 DCAELO CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ncn(C)c2Cl)C1 ZINC000040691959 663043034 /nfs/dbraw/zinc/04/30/34/663043034.db2.gz NRUHERDFPPPUDI-VIFPVBQESA-N 1 2 306.819 0.836 10 0 DCAELO CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ncn(C)c2Cl)C1 ZINC000040691959 663043035 /nfs/dbraw/zinc/04/30/35/663043035.db2.gz NRUHERDFPPPUDI-VIFPVBQESA-N 1 2 306.819 0.836 10 0 DCAELO CCN1C(=O)CN(C[N@@H+]2CCC[C@@H](Cc3noc(C)n3)C2)C1=O ZINC000122211377 667583794 /nfs/dbraw/zinc/58/37/94/667583794.db2.gz ZGQJIFYEMVIIHM-LBPRGKRZSA-N 1 2 321.381 0.874 10 0 DCAELO CCN1C(=O)CN(C[N@H+]2CCC[C@@H](Cc3noc(C)n3)C2)C1=O ZINC000122211377 667583796 /nfs/dbraw/zinc/58/37/96/667583796.db2.gz ZGQJIFYEMVIIHM-LBPRGKRZSA-N 1 2 321.381 0.874 10 0 DCAELO CCOC(=O)c1cnn(CN2CC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000133287803 669794960 /nfs/dbraw/zinc/79/49/60/669794960.db2.gz CAHRDBWUOGMUCK-CQSZACIVSA-N 1 2 308.382 0.424 10 0 DCAELO CC(C)N1C(=O)C(=O)N(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)C1=O ZINC000116259191 671029712 /nfs/dbraw/zinc/02/97/12/671029712.db2.gz ZPAANOCBPBJVPD-NSHDSACASA-N 1 2 319.365 0.366 10 0 DCAELO CC(C)N1C(=O)C(=O)N(C[N@H+]2CC[C@H](c3cnn(C)c3)C2)C1=O ZINC000116259191 671029717 /nfs/dbraw/zinc/02/97/17/671029717.db2.gz ZPAANOCBPBJVPD-NSHDSACASA-N 1 2 319.365 0.366 10 0 DCAELO CNC(=O)Cc1nc(C[N@H+](CCO)CCCOC)cs1 ZINC000189870729 774477562 /nfs/dbraw/zinc/47/75/62/774477562.db2.gz MHVXWLFKYUSPJQ-UHFFFAOYSA-N 1 2 301.412 0.262 10 0 DCAELO CNC(=O)Cc1nc(C[N@@H+](CCO)CCCOC)cs1 ZINC000189870729 774477564 /nfs/dbraw/zinc/47/75/64/774477564.db2.gz MHVXWLFKYUSPJQ-UHFFFAOYSA-N 1 2 301.412 0.262 10 0 DCAELO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)CC2CCOCC2)CC1 ZINC000182405590 529701485 /nfs/dbraw/zinc/70/14/85/529701485.db2.gz SRMFEEPVZPDEQP-AWEZNQCLSA-N 1 2 320.455 0.131 10 0 DCAELO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)C[C@H]2CCCCO2)CC1 ZINC000182407649 529701305 /nfs/dbraw/zinc/70/13/05/529701305.db2.gz DUULNWOFCZMFBH-UONOGXRCSA-N 1 2 320.455 0.274 10 0 DCAELO O=C(NCCCOCCO)NCc1cccnc1-n1cc[nH+]c1 ZINC000181468231 199301662 /nfs/dbraw/zinc/30/16/62/199301662.db2.gz DBGCAOLZYDGROR-UHFFFAOYSA-N 1 2 319.365 0.466 10 0 DCAELO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)Nc2ccsc2)CCO1 ZINC000275877769 529851958 /nfs/dbraw/zinc/85/19/58/529851958.db2.gz GUIXNLXMZSDNQR-LLVKDONJSA-N 1 2 312.395 0.398 10 0 DCAELO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)Nc2ccsc2)CCO1 ZINC000275877769 529851960 /nfs/dbraw/zinc/85/19/60/529851960.db2.gz GUIXNLXMZSDNQR-LLVKDONJSA-N 1 2 312.395 0.398 10 0 DCAELO COc1ccccc1OCC(=O)N(C)C[C@H]1C[N@@H+](C)CCO1 ZINC000074774726 545671490 /nfs/dbraw/zinc/67/14/90/545671490.db2.gz KRUYEGRXWVFSOD-CYBMUJFWSA-N 1 2 308.378 0.863 10 0 DCAELO CNS(=O)(=O)CC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000083615048 192375631 /nfs/dbraw/zinc/37/56/31/192375631.db2.gz AFAASTOICBHYHM-LLVKDONJSA-N 1 2 322.390 0.599 10 0 DCAELO CS(=O)(=O)NCC[N@@H+]1C[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000253394903 186304505 /nfs/dbraw/zinc/30/45/05/186304505.db2.gz MNBUYJAAKXPWJJ-CHWSQXEVSA-N 1 2 302.371 0.483 10 0 DCAELO CS(=O)(=O)NCC[N@H+]1C[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000253394903 186304507 /nfs/dbraw/zinc/30/45/07/186304507.db2.gz MNBUYJAAKXPWJJ-CHWSQXEVSA-N 1 2 302.371 0.483 10 0 DCAELO O=C(N[C@H]1CCCn2ncnc21)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000333113607 295876048 /nfs/dbraw/zinc/87/60/48/295876048.db2.gz YCJBRDVVTCIGQU-OLZOCXBDSA-N 1 2 320.397 0.229 10 0 DCAELO CCOc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000074773762 191357580 /nfs/dbraw/zinc/35/75/80/191357580.db2.gz RAEDGJSSTJERKH-CYBMUJFWSA-N 1 2 314.407 0.694 10 0 DCAELO CCOc1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000074773762 191357583 /nfs/dbraw/zinc/35/75/83/191357583.db2.gz RAEDGJSSTJERKH-CYBMUJFWSA-N 1 2 314.407 0.694 10 0 DCAELO O=c1[nH]c2ccc(Cl)cc2c(=O)n1CC[NH+]1CCOCC1 ZINC000073658329 191338345 /nfs/dbraw/zinc/33/83/45/191338345.db2.gz BPPQKDYUNARBLI-UHFFFAOYSA-N 1 2 309.753 0.675 10 0 DCAELO CN1N=C(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CCC1=O ZINC000110959654 283257438 /nfs/dbraw/zinc/25/74/38/283257438.db2.gz LXSLAMAFGCTJAF-ZDUSSCGKSA-N 1 2 322.409 0.308 10 0 DCAELO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)c2cnn(CC)c2)CC1 ZINC000179399971 199029204 /nfs/dbraw/zinc/02/92/04/199029204.db2.gz VWZNZQOTRKXEMC-CYBMUJFWSA-N 1 2 308.382 0.001 10 0 DCAELO COc1ccccc1S(=O)(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000188730635 200295989 /nfs/dbraw/zinc/29/59/89/200295989.db2.gz ICIUJRXDHJRSNL-GFCCVEGCSA-N 1 2 314.407 0.382 10 0 DCAELO COc1ccccc1S(=O)(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000188730635 200295991 /nfs/dbraw/zinc/29/59/91/200295991.db2.gz ICIUJRXDHJRSNL-GFCCVEGCSA-N 1 2 314.407 0.382 10 0 DCAELO COCCc1noc(C[N@H+](C)C[C@@H](O)COC(C)(C)C)n1 ZINC000156877623 291226493 /nfs/dbraw/zinc/22/64/93/291226493.db2.gz QGSKHNQPFZQYCH-LLVKDONJSA-N 1 2 301.387 0.866 10 0 DCAELO COCCc1noc(C[N@@H+](C)C[C@@H](O)COC(C)(C)C)n1 ZINC000156877623 291226494 /nfs/dbraw/zinc/22/64/94/291226494.db2.gz QGSKHNQPFZQYCH-LLVKDONJSA-N 1 2 301.387 0.866 10 0 DCAELO Cc1nn(C)c(CNC[C@@H]2C[N@H+](C)CCO2)c1Br ZINC000091670959 193088928 /nfs/dbraw/zinc/08/89/28/193088928.db2.gz CBZGAKQALJUNDA-SNVBAGLBSA-N 1 2 317.231 0.911 10 0 DCAELO Cc1nn(C)c(CNC[C@@H]2C[N@@H+](C)CCO2)c1Br ZINC000091670959 193088930 /nfs/dbraw/zinc/08/89/30/193088930.db2.gz CBZGAKQALJUNDA-SNVBAGLBSA-N 1 2 317.231 0.911 10 0 DCAELO CCn1cc([C@H]2OCC[C@@H]2C(=O)NCC[NH+]2CCOCC2)cn1 ZINC000275311891 212264604 /nfs/dbraw/zinc/26/46/04/212264604.db2.gz OMYYGZAFOIDUMZ-LSDHHAIUSA-N 1 2 322.409 0.429 10 0 DCAELO O=C([C@H]1COc2ccccc2O1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000372623485 296142990 /nfs/dbraw/zinc/14/29/90/296142990.db2.gz ANZYWIMMRMJWBV-XJKSGUPXSA-N 1 2 318.373 0.760 10 0 DCAELO CCN(C(=O)C[N@@H+]1CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000077382578 284150951 /nfs/dbraw/zinc/15/09/51/284150951.db2.gz MPTHKBOUDCKAAZ-GFCCVEGCSA-N 1 2 302.440 0.896 10 0 DCAELO CCN(C(=O)C[N@H+]1CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000077382578 284150953 /nfs/dbraw/zinc/15/09/53/284150953.db2.gz MPTHKBOUDCKAAZ-GFCCVEGCSA-N 1 2 302.440 0.896 10 0 DCAELO COC(=O)c1ccc(NC[C@H]2CN(C)CC[N@@H+]2C)nc1OC ZINC000274878083 212002289 /nfs/dbraw/zinc/00/22/89/212002289.db2.gz GYVPYAXDNBGSMS-NSHDSACASA-N 1 2 308.382 0.535 10 0 DCAELO COC(=O)c1ccc(NC[C@H]2CN(C)CC[N@H+]2C)nc1OC ZINC000274878083 212002293 /nfs/dbraw/zinc/00/22/93/212002293.db2.gz GYVPYAXDNBGSMS-NSHDSACASA-N 1 2 308.382 0.535 10 0 DCAELO CC(C)c1nnc(CCC(=O)NC[C@H](C)[NH+]2CCOCC2)o1 ZINC000019714097 182137922 /nfs/dbraw/zinc/13/79/22/182137922.db2.gz JOLZHKAMMKSNAT-LBPRGKRZSA-N 1 2 310.398 0.963 10 0 DCAELO CC(=O)Nc1cccc(CNC(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000104787028 194039713 /nfs/dbraw/zinc/03/97/13/194039713.db2.gz 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CC[S@](=O)c1ccccc1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000194615576 395801791 /nfs/dbraw/zinc/80/17/91/395801791.db2.gz CJIMGCZDBSLQDU-GTJPDFRWSA-N 1 2 310.419 0.875 10 0 DCAELO CC[S@](=O)c1ccccc1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000194615576 395801796 /nfs/dbraw/zinc/80/17/96/395801796.db2.gz CJIMGCZDBSLQDU-GTJPDFRWSA-N 1 2 310.419 0.875 10 0 DCAELO CNC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@H](C(=O)OC)C2)cc1 ZINC000123785032 395897277 /nfs/dbraw/zinc/89/72/77/395897277.db2.gz JCPNEHABBLAIOQ-RISCZKNCSA-N 1 2 306.362 0.809 10 0 DCAELO CNC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@H](C(=O)OC)C2)cc1 ZINC000123785032 395897280 /nfs/dbraw/zinc/89/72/80/395897280.db2.gz JCPNEHABBLAIOQ-RISCZKNCSA-N 1 2 306.362 0.809 10 0 DCAELO CC[C@H](C)NC(=O)CN1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000131904659 395925570 /nfs/dbraw/zinc/92/55/70/395925570.db2.gz ULMJTHLCQKUTBC-UONOGXRCSA-N 1 2 310.442 0.187 10 0 DCAELO CCc1nn(C)c(CC)c1CNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000119164541 395867923 /nfs/dbraw/zinc/86/79/23/395867923.db2.gz FWUDGWXMTKJSGQ-GFCCVEGCSA-N 1 2 323.441 0.675 10 0 DCAELO CCc1nn(C)c(CC)c1CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000119164541 395867926 /nfs/dbraw/zinc/86/79/26/395867926.db2.gz FWUDGWXMTKJSGQ-GFCCVEGCSA-N 1 2 323.441 0.675 10 0 DCAELO O=C(C[N@@H+]1CCCN(C(=O)C2CC2)CC1)Nc1ccncc1 ZINC000121182518 395883943 /nfs/dbraw/zinc/88/39/43/395883943.db2.gz WDBCZMNRRCBFSV-UHFFFAOYSA-N 1 2 302.378 0.964 10 0 DCAELO O=C(C[N@H+]1CCCN(C(=O)C2CC2)CC1)Nc1ccncc1 ZINC000121182518 395883945 /nfs/dbraw/zinc/88/39/45/395883945.db2.gz WDBCZMNRRCBFSV-UHFFFAOYSA-N 1 2 302.378 0.964 10 0 DCAELO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@H]2CCOC[C@H]2C)CC1 ZINC000248852132 395998786 /nfs/dbraw/zinc/99/87/86/395998786.db2.gz JPMSWELVJPULDF-NFAWXSAZSA-N 1 2 323.437 0.470 10 0 DCAELO CCS(=O)(=O)NCC[N@@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC ZINC000246043452 395940118 /nfs/dbraw/zinc/94/01/18/395940118.db2.gz SEAWOEMSBVFWRZ-XQQFMLRXSA-N 1 2 318.439 0.732 10 0 DCAELO CCS(=O)(=O)NCC[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC ZINC000246043452 395940121 /nfs/dbraw/zinc/94/01/21/395940121.db2.gz SEAWOEMSBVFWRZ-XQQFMLRXSA-N 1 2 318.439 0.732 10 0 DCAELO C[C@@H]1C[N@H+](CC(=O)N(C)[C@H]2CCCC[C@H]2C)C[C@@H](C(N)=O)O1 ZINC000246486437 395951334 /nfs/dbraw/zinc/95/13/34/395951334.db2.gz NMLDNOZIRSHLRX-MQYQWHSLSA-N 1 2 311.426 0.598 10 0 DCAELO C[C@@H]1C[N@@H+](CC(=O)N(C)[C@H]2CCCC[C@H]2C)C[C@@H](C(N)=O)O1 ZINC000246486437 395951335 /nfs/dbraw/zinc/95/13/35/395951335.db2.gz NMLDNOZIRSHLRX-MQYQWHSLSA-N 1 2 311.426 0.598 10 0 DCAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)Nc1cc(F)cc(F)c1 ZINC000151084022 395978537 /nfs/dbraw/zinc/97/85/37/395978537.db2.gz CAESTZHVIVNKHR-CYBMUJFWSA-N 1 2 315.320 0.779 10 0 DCAELO C[C@@H]1OCC[C@@H]1NC(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC000275523441 395985125 /nfs/dbraw/zinc/98/51/25/395985125.db2.gz CIKGBYSBEQSYRR-IHRRRGAJSA-N 1 2 319.409 0.870 10 0 DCAELO C[C@@H]1OCC[C@@H]1NC(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000275523441 395985126 /nfs/dbraw/zinc/98/51/26/395985126.db2.gz CIKGBYSBEQSYRR-IHRRRGAJSA-N 1 2 319.409 0.870 10 0 DCAELO CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCN3CCCC[C@H]3C2)CC1 ZINC000248370222 395985364 /nfs/dbraw/zinc/98/53/64/395985364.db2.gz XEUIUNXNFUAOOZ-ZBFHGGJFSA-N 1 2 322.453 0.236 10 0 DCAELO CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCN3CCCC[C@H]3C2)CC1 ZINC000248370222 395985368 /nfs/dbraw/zinc/98/53/68/395985368.db2.gz XEUIUNXNFUAOOZ-ZBFHGGJFSA-N 1 2 322.453 0.236 10 0 DCAELO C[C@H]1CCCN1S(=O)(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000248743488 395996127 /nfs/dbraw/zinc/99/61/27/395996127.db2.gz RWMDTJNCUXVRGQ-AAEUAGOBSA-N 1 2 303.428 0.168 10 0 DCAELO C[C@H]1CCCN1S(=O)(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000248743488 395996130 /nfs/dbraw/zinc/99/61/30/395996130.db2.gz RWMDTJNCUXVRGQ-AAEUAGOBSA-N 1 2 303.428 0.168 10 0 DCAELO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CO)c1nc[nH]n1 ZINC000253415077 396027919 /nfs/dbraw/zinc/02/79/19/396027919.db2.gz ZNQYHUMQZCSJRQ-QWHCGFSZSA-N 1 2 301.350 0.027 10 0 DCAELO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CO)c1nc[nH]n1 ZINC000253415077 396027922 /nfs/dbraw/zinc/02/79/22/396027922.db2.gz ZNQYHUMQZCSJRQ-QWHCGFSZSA-N 1 2 301.350 0.027 10 0 DCAELO COC(=O)c1ccc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)o1 ZINC000154035088 396029880 /nfs/dbraw/zinc/02/98/80/396029880.db2.gz SXQQLJIGVMEVRJ-LLVKDONJSA-N 1 2 308.334 0.613 10 0 DCAELO CCOc1ccc(C(=O)NC[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000154109778 396031451 /nfs/dbraw/zinc/03/14/51/396031451.db2.gz FSDIJVHHJLGKHD-AWEZNQCLSA-N 1 2 308.378 0.508 10 0 DCAELO Cc1ccc(OCC(=O)NC[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000154133416 396032213 /nfs/dbraw/zinc/03/22/13/396032213.db2.gz DPAYPYXHOCAFKW-CQSZACIVSA-N 1 2 308.378 0.183 10 0 DCAELO CO[C@@H]1C[N@@H+]([C@@H]2CCN(c3cc(C)nn3C)C2=O)C[C@@H]1OC ZINC000276978147 396041311 /nfs/dbraw/zinc/04/13/11/396041311.db2.gz YYCVPPHKSBKIQB-UPJWGTAASA-N 1 2 308.382 0.179 10 0 DCAELO CO[C@@H]1C[N@H+]([C@@H]2CCN(c3cc(C)nn3C)C2=O)C[C@@H]1OC ZINC000276978147 396041316 /nfs/dbraw/zinc/04/13/16/396041316.db2.gz YYCVPPHKSBKIQB-UPJWGTAASA-N 1 2 308.382 0.179 10 0 DCAELO Cn1cnc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2cccnc2)c1 ZINC000261676216 396055687 /nfs/dbraw/zinc/05/56/87/396055687.db2.gz JNODSMHGWDKRMW-LBPRGKRZSA-N 1 2 307.379 0.150 10 0 DCAELO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)CCc1nc[nH]n1 ZINC000261702753 396057662 /nfs/dbraw/zinc/05/76/62/396057662.db2.gz DBVNPGQQWJFTIM-ZDUSSCGKSA-N 1 2 315.377 0.919 10 0 DCAELO CN(C)C(=O)c1ccc(C(=O)NC[C@H]2C[N@H+](C)CCO2)cc1 ZINC000170850867 396098838 /nfs/dbraw/zinc/09/88/38/396098838.db2.gz SXGIGBCPKOSQBT-AWEZNQCLSA-N 1 2 305.378 0.449 10 0 DCAELO CN(C)C(=O)c1ccc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000170850867 396098841 /nfs/dbraw/zinc/09/88/41/396098841.db2.gz SXGIGBCPKOSQBT-AWEZNQCLSA-N 1 2 305.378 0.449 10 0 DCAELO Cn1cc([C@H]2CCCN2C(=O)NC[C@@H]2C[N@H+](C)CCO2)cn1 ZINC000170924218 396101728 /nfs/dbraw/zinc/10/17/28/396101728.db2.gz YJBAKVLCVSPELB-ZIAGYGMSSA-N 1 2 307.398 0.597 10 0 DCAELO Cn1cc([C@H]2CCCN2C(=O)NC[C@@H]2C[N@@H+](C)CCO2)cn1 ZINC000170924218 396101729 /nfs/dbraw/zinc/10/17/29/396101729.db2.gz YJBAKVLCVSPELB-ZIAGYGMSSA-N 1 2 307.398 0.597 10 0 DCAELO CCOCC[N@@H+]1CCN(S(=O)(=O)C[C@@H]2CCCO2)C[C@@H]1C ZINC000172261970 396129548 /nfs/dbraw/zinc/12/95/48/396129548.db2.gz NUQYHIQWYRYLOQ-KBPBESRZSA-N 1 2 320.455 0.538 10 0 DCAELO CCOCC[N@H+]1CCN(S(=O)(=O)C[C@@H]2CCCO2)C[C@@H]1C ZINC000172261970 396129552 /nfs/dbraw/zinc/12/95/52/396129552.db2.gz NUQYHIQWYRYLOQ-KBPBESRZSA-N 1 2 320.455 0.538 10 0 DCAELO CS(=O)(=O)NCC[NH2+]C1(c2noc(C3CC3)n2)CCCC1 ZINC000173707196 396136168 /nfs/dbraw/zinc/13/61/68/396136168.db2.gz YRUFXWIAVPTXEP-UHFFFAOYSA-N 1 2 314.411 0.855 10 0 DCAELO CC(C)C(=O)N[C@@H]1CCCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263232479 396207286 /nfs/dbraw/zinc/20/72/86/396207286.db2.gz NNXRBONICHIOJZ-GHMZBOCLSA-N 1 2 303.353 0.747 10 0 DCAELO CC(C)C(=O)N[C@H]1CCCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263232482 396207920 /nfs/dbraw/zinc/20/79/20/396207920.db2.gz NNXRBONICHIOJZ-WDEREUQCSA-N 1 2 303.353 0.747 10 0 DCAELO CC(C)C[C@H](CNS(=O)(=O)N1CCCC1)[NH+]1CCOCC1 ZINC000073770147 396150289 /nfs/dbraw/zinc/15/02/89/396150289.db2.gz NQFSLWKDTVVLAO-CQSZACIVSA-N 1 2 319.471 0.664 10 0 DCAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1cnc2ccccc2n1 ZINC000176443026 396155826 /nfs/dbraw/zinc/15/58/26/396155826.db2.gz MJNBCYVANXCJGK-GFCCVEGCSA-N 1 2 316.361 0.053 10 0 DCAELO Cc1cccc(NC(=O)C[N@H+](C)C[C@@H](O)CN2CCOCC2)c1 ZINC000177366724 396172598 /nfs/dbraw/zinc/17/25/98/396172598.db2.gz PFZFKGADBZBVBY-MRXNPFEDSA-N 1 2 321.421 0.558 10 0 DCAELO Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H](O)CN2CCOCC2)c1 ZINC000177366724 396172602 /nfs/dbraw/zinc/17/26/02/396172602.db2.gz PFZFKGADBZBVBY-MRXNPFEDSA-N 1 2 321.421 0.558 10 0 DCAELO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)[C@@H]1CCCO1 ZINC000279488801 396178344 /nfs/dbraw/zinc/17/83/44/396178344.db2.gz FTNAXWYTOHLKKM-KKUMJFAQSA-N 1 2 324.400 0.970 10 0 DCAELO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)[C@@H]1CCCO1 ZINC000279488801 396178345 /nfs/dbraw/zinc/17/83/45/396178345.db2.gz FTNAXWYTOHLKKM-KKUMJFAQSA-N 1 2 324.400 0.970 10 0 DCAELO CC(C)c1nc2n(n1)C[C@H](NC(=O)[C@@H]1CC(F)(F)C[NH2+]1)CC2 ZINC000263294192 396212172 /nfs/dbraw/zinc/21/21/72/396212172.db2.gz WCHGNITYHVEWRZ-ZJUUUORDSA-N 1 2 313.352 0.830 10 0 DCAELO O=C(NC1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1)C1CC1 ZINC000262999562 396197147 /nfs/dbraw/zinc/19/71/47/396197147.db2.gz OOVFVBWPLDDEAN-NSHDSACASA-N 1 2 301.337 0.501 10 0 DCAELO C[C@H]1CN(C(=O)c2cccc3n[nH]nc32)C[C@H]1[NH+]1CCOCC1 ZINC000182788011 396254244 /nfs/dbraw/zinc/25/42/44/396254244.db2.gz FWZSHVKZRUPCBM-SMDDNHRTSA-N 1 2 315.377 0.751 10 0 DCAELO C[C@H]1CN(C(=O)c2cccc3nn[nH]c32)C[C@H]1[NH+]1CCOCC1 ZINC000182788011 396254246 /nfs/dbraw/zinc/25/42/46/396254246.db2.gz FWZSHVKZRUPCBM-SMDDNHRTSA-N 1 2 315.377 0.751 10 0 DCAELO COC(=O)c1coc(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)c1 ZINC000183813082 396276029 /nfs/dbraw/zinc/27/60/29/396276029.db2.gz SQERVVZDQRYCNS-WCQYABFASA-N 1 2 322.361 0.859 10 0 DCAELO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1CO)Nc1cc(Cl)ccc1F ZINC000179172810 396222804 /nfs/dbraw/zinc/22/28/04/396222804.db2.gz VZVKVBPSPPSOCJ-ZJUUUORDSA-N 1 2 302.733 0.845 10 0 DCAELO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1CO)Nc1cc(Cl)ccc1F ZINC000179172810 396222808 /nfs/dbraw/zinc/22/28/08/396222808.db2.gz VZVKVBPSPPSOCJ-ZJUUUORDSA-N 1 2 302.733 0.845 10 0 DCAELO O=c1[nH]c(CC[N@@H+]2CCO[C@]3(CCOC3)C2)nc2ccccc21 ZINC000185151811 396319440 /nfs/dbraw/zinc/31/94/40/396319440.db2.gz GRHRIXINLVJJQI-QGZVFWFLSA-N 1 2 315.373 0.957 10 0 DCAELO O=c1[nH]c(CC[N@H+]2CCO[C@]3(CCOC3)C2)nc2ccccc21 ZINC000185151811 396319444 /nfs/dbraw/zinc/31/94/44/396319444.db2.gz GRHRIXINLVJJQI-QGZVFWFLSA-N 1 2 315.373 0.957 10 0 DCAELO Cc1cc(F)ccc1[C@@H]1C(=O)NCC[N@H+]1CCC(=O)NC(N)=O ZINC000184740615 396304435 /nfs/dbraw/zinc/30/44/35/396304435.db2.gz OBMMJOSCGMAVKY-CYBMUJFWSA-N 1 2 322.340 0.192 10 0 DCAELO Cc1cc(F)ccc1[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)NC(N)=O ZINC000184740615 396304436 /nfs/dbraw/zinc/30/44/36/396304436.db2.gz OBMMJOSCGMAVKY-CYBMUJFWSA-N 1 2 322.340 0.192 10 0 DCAELO CNC(=O)CC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000185182035 396321203 /nfs/dbraw/zinc/32/12/03/396321203.db2.gz BNAYQZMQXLBJCC-AWEZNQCLSA-N 1 2 304.325 0.901 10 0 DCAELO Cn1cc(N2CCC[C@@H]([N@@H+]3CCO[C@]4(CCOC4)C3)C2=O)cn1 ZINC000185205147 396321816 /nfs/dbraw/zinc/32/18/16/396321816.db2.gz AMPVYVSVUPLMOP-GDBMZVCRSA-N 1 2 320.393 0.407 10 0 DCAELO Cn1cc(N2CCC[C@@H]([N@H+]3CCO[C@]4(CCOC4)C3)C2=O)cn1 ZINC000185205147 396321821 /nfs/dbraw/zinc/32/18/21/396321821.db2.gz AMPVYVSVUPLMOP-GDBMZVCRSA-N 1 2 320.393 0.407 10 0 DCAELO Cn1nnc2ccc(C(=O)N3CC[C@@H]([NH+]4CCOCC4)C3)cc21 ZINC000185309925 396324733 /nfs/dbraw/zinc/32/47/33/396324733.db2.gz XMWFRBPQAHPWCN-CYBMUJFWSA-N 1 2 315.377 0.515 10 0 DCAELO Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+](C)CCO2)c(Cl)n1 ZINC000185476338 396328906 /nfs/dbraw/zinc/32/89/06/396328906.db2.gz HABDRJGKKYCHLG-SNVBAGLBSA-N 1 2 319.814 0.652 10 0 DCAELO Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+](C)CCO2)c(Cl)n1 ZINC000185476338 396328909 /nfs/dbraw/zinc/32/89/09/396328909.db2.gz HABDRJGKKYCHLG-SNVBAGLBSA-N 1 2 319.814 0.652 10 0 DCAELO Nc1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc1 ZINC000186020113 396339489 /nfs/dbraw/zinc/33/94/89/396339489.db2.gz PHYYWPKXWYAQHV-CYBMUJFWSA-N 1 2 311.407 0.410 10 0 DCAELO Nc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cc1 ZINC000186020113 396339493 /nfs/dbraw/zinc/33/94/93/396339493.db2.gz PHYYWPKXWYAQHV-CYBMUJFWSA-N 1 2 311.407 0.410 10 0 DCAELO CC(C)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000186607138 396353281 /nfs/dbraw/zinc/35/32/81/396353281.db2.gz VPUKEPABRGNLIO-ILXRZTDVSA-N 1 2 323.437 0.328 10 0 DCAELO CN1N=C(C(=O)N2CCCN(c3cccc[nH+]3)CC2)CCC1=O ZINC000186393672 396349412 /nfs/dbraw/zinc/34/94/12/396349412.db2.gz YOXKNTRWZAUAKU-UHFFFAOYSA-N 1 2 315.377 0.729 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(N)=O)cc3)C[C@@H]21 ZINC000286208139 396381166 /nfs/dbraw/zinc/38/11/66/396381166.db2.gz BYBZSMZLXIZBJU-KBPBESRZSA-N 1 2 303.362 0.331 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(N)=O)cc3)C[C@@H]21 ZINC000286208139 396381168 /nfs/dbraw/zinc/38/11/68/396381168.db2.gz BYBZSMZLXIZBJU-KBPBESRZSA-N 1 2 303.362 0.331 10 0 DCAELO C[C@H]1CN(C(=O)c2n[nH]c3c2CCCCC3)CC[N@@H+]1CCO ZINC000188756691 396385508 /nfs/dbraw/zinc/38/55/08/396385508.db2.gz IDLOULGGJUYNBI-LBPRGKRZSA-N 1 2 306.410 0.817 10 0 DCAELO C[C@H]1CN(C(=O)c2n[nH]c3c2CCCCC3)CC[N@H+]1CCO ZINC000188756691 396385510 /nfs/dbraw/zinc/38/55/10/396385510.db2.gz IDLOULGGJUYNBI-LBPRGKRZSA-N 1 2 306.410 0.817 10 0 DCAELO C[C@H]1CN(C(=O)c2cc(-c3cccnc3)on2)CC[N@@H+]1CCO ZINC000188772565 396385568 /nfs/dbraw/zinc/38/55/68/396385568.db2.gz OJYQUQWFBMQBBU-LBPRGKRZSA-N 1 2 316.361 0.875 10 0 DCAELO C[C@H]1CN(C(=O)c2cc(-c3cccnc3)on2)CC[N@H+]1CCO ZINC000188772565 396385570 /nfs/dbraw/zinc/38/55/70/396385570.db2.gz OJYQUQWFBMQBBU-LBPRGKRZSA-N 1 2 316.361 0.875 10 0 DCAELO COc1ccccc1CCNC(=O)C[N@@H+]1CCCNC(=O)[C@H]1C ZINC000189313851 396393232 /nfs/dbraw/zinc/39/32/32/396393232.db2.gz DKXSLPRFMIMCSD-CYBMUJFWSA-N 1 2 319.405 0.564 10 0 DCAELO COc1ccccc1CCNC(=O)C[N@H+]1CCCNC(=O)[C@H]1C ZINC000189313851 396393236 /nfs/dbraw/zinc/39/32/36/396393236.db2.gz DKXSLPRFMIMCSD-CYBMUJFWSA-N 1 2 319.405 0.564 10 0 DCAELO CN1CCCN(C(=O)NCc2ccn3cc[nH+]c3c2)CC1=O ZINC000190255200 396404449 /nfs/dbraw/zinc/40/44/49/396404449.db2.gz BBPAIANYVNUNSQ-UHFFFAOYSA-N 1 2 301.350 0.708 10 0 DCAELO CC[C@@H](CO)[NH+]1CCN(CCCCCS(=O)(=O)CC)CC1 ZINC000190606410 396408800 /nfs/dbraw/zinc/40/88/00/396408800.db2.gz ZLFIXVRNWALDRL-HNNXBMFYSA-N 1 2 320.499 0.980 10 0 DCAELO Cc1cc(=O)[nH]c([C@@H](C)[N@H+]2CC[C@H](NS(C)(=O)=O)C2)n1 ZINC000192594473 396433025 /nfs/dbraw/zinc/43/30/25/396433025.db2.gz XLLIXMNOSXNHQO-ZJUUUORDSA-N 1 2 300.384 0.175 10 0 DCAELO CN1CC[C@@H]([NH+]2CCN(c3cc(C4(C)CC4)[nH]n3)CC2)C1=O ZINC000372344684 396509598 /nfs/dbraw/zinc/50/95/98/396509598.db2.gz GRWSBUXZVZGURX-GFCCVEGCSA-N 1 2 303.410 0.814 10 0 DCAELO NC(=O)[C@@H]1COCCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000371466918 396467496 /nfs/dbraw/zinc/46/74/96/396467496.db2.gz UBBZFOXQYWLXDS-ZDUSSCGKSA-N 1 2 300.318 0.199 10 0 DCAELO CCNC(=O)N1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000373727113 396610175 /nfs/dbraw/zinc/61/01/75/396610175.db2.gz KNAVHIKHRDVMLS-NEPJUHHUSA-N 1 2 305.382 0.366 10 0 DCAELO O=C(C[N@@H+]1C[C@@H](O)C[C@H]1c1ccc(F)cc1)NC(=O)NC1CC1 ZINC000611137875 396822309 /nfs/dbraw/zinc/82/23/09/396822309.db2.gz CWHHQLFGFXRLGE-KBPBESRZSA-N 1 2 321.352 0.922 10 0 DCAELO O=C(C[N@H+]1C[C@@H](O)C[C@H]1c1ccc(F)cc1)NC(=O)NC1CC1 ZINC000611137875 396822313 /nfs/dbraw/zinc/82/23/13/396822313.db2.gz CWHHQLFGFXRLGE-KBPBESRZSA-N 1 2 321.352 0.922 10 0 DCAELO CCN1CCN(C(=O)c2cn(C)nc2C)C[C@@H]1c1[nH+]ccn1C ZINC000328624428 396824923 /nfs/dbraw/zinc/82/49/23/396824923.db2.gz JWHQGEOOHZHJCR-CQSZACIVSA-N 1 2 316.409 0.981 10 0 DCAELO Cc1ccc(CC(=O)N(CC(N)=O)C[C@@H]2C[N@H+](C)CCO2)cn1 ZINC000328621439 396825518 /nfs/dbraw/zinc/82/55/18/396825518.db2.gz ALQRHRNMVABLSZ-AWEZNQCLSA-N 1 2 320.393 0.627 10 0 DCAELO Cc1ccc(CC(=O)N(CC(N)=O)C[C@@H]2C[N@@H+](C)CCO2)cn1 ZINC000328621439 396825523 /nfs/dbraw/zinc/82/55/23/396825523.db2.gz ALQRHRNMVABLSZ-AWEZNQCLSA-N 1 2 320.393 0.627 10 0 DCAELO Cn1ncc(C(=O)N(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)c1N ZINC000328632256 396827335 /nfs/dbraw/zinc/82/73/35/396827335.db2.gz LGGJRFMNBZCMGB-LBPRGKRZSA-N 1 2 307.398 0.185 10 0 DCAELO Cn1ncc(C(=O)N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)c1N ZINC000328632256 396827337 /nfs/dbraw/zinc/82/73/37/396827337.db2.gz LGGJRFMNBZCMGB-LBPRGKRZSA-N 1 2 307.398 0.185 10 0 DCAELO C[N@@H+]1CCO[C@@H](CN(CC(N)=O)C(=O)CCc2ccoc2)C1 ZINC000328654148 396831218 /nfs/dbraw/zinc/83/12/18/396831218.db2.gz XGNIZHISRCCPDG-CYBMUJFWSA-N 1 2 309.366 0.907 10 0 DCAELO C[N@H+]1CCO[C@@H](CN(CC(N)=O)C(=O)CCc2ccoc2)C1 ZINC000328654148 396831224 /nfs/dbraw/zinc/83/12/24/396831224.db2.gz XGNIZHISRCCPDG-CYBMUJFWSA-N 1 2 309.366 0.907 10 0 DCAELO C[C@H]1CCCCN1S(=O)(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000329725123 396849377 /nfs/dbraw/zinc/84/93/77/396849377.db2.gz DKEKTLRUCYPOPM-GXTWGEPZSA-N 1 2 317.455 0.558 10 0 DCAELO C[C@H]1CCCCN1S(=O)(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000329725123 396849383 /nfs/dbraw/zinc/84/93/83/396849383.db2.gz DKEKTLRUCYPOPM-GXTWGEPZSA-N 1 2 317.455 0.558 10 0 DCAELO COCCCS(=O)(=O)NCC[N@@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000375728167 396805933 /nfs/dbraw/zinc/80/59/33/396805933.db2.gz YIENLSHEUXPMHO-ZDUSSCGKSA-N 1 2 316.427 0.503 10 0 DCAELO COCCCS(=O)(=O)NCC[N@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000375728167 396805942 /nfs/dbraw/zinc/80/59/42/396805942.db2.gz YIENLSHEUXPMHO-ZDUSSCGKSA-N 1 2 316.427 0.503 10 0 DCAELO CC1(C)C[N@H+](CC(=O)NC(=O)NC2CC2)C[C@]2(CCOC2)O1 ZINC000564141991 396810701 /nfs/dbraw/zinc/81/07/01/396810701.db2.gz RPFKPFHNFMBUJN-HNNXBMFYSA-N 1 2 311.382 0.245 10 0 DCAELO CC1(C)C[N@@H+](CC(=O)NC(=O)NC2CC2)C[C@]2(CCOC2)O1 ZINC000564141991 396810706 /nfs/dbraw/zinc/81/07/06/396810706.db2.gz RPFKPFHNFMBUJN-HNNXBMFYSA-N 1 2 311.382 0.245 10 0 DCAELO C[C@H](CN1CCCC1=O)NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000332762584 396893156 /nfs/dbraw/zinc/89/31/56/396893156.db2.gz WNAOOMAVFJEXRO-HZSPNIEDSA-N 1 2 324.425 0.112 10 0 DCAELO C[C@H](CN1CCCC1=O)NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000332762584 396893158 /nfs/dbraw/zinc/89/31/58/396893158.db2.gz WNAOOMAVFJEXRO-HZSPNIEDSA-N 1 2 324.425 0.112 10 0 DCAELO CO[C@@H]([C@H](C)NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1)C1CC1 ZINC000333650906 396929782 /nfs/dbraw/zinc/92/97/82/396929782.db2.gz KIOQLQVOFYZBOO-MHEUCROKSA-N 1 2 311.426 0.914 10 0 DCAELO CO[C@@H]([C@H](C)NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1)C1CC1 ZINC000333650906 396929785 /nfs/dbraw/zinc/92/97/85/396929785.db2.gz KIOQLQVOFYZBOO-MHEUCROKSA-N 1 2 311.426 0.914 10 0 DCAELO CC1=CC[N@H+](CCNC(=O)NC[C@H]2CCCS2(=O)=O)CC1 ZINC000573974318 397224895 /nfs/dbraw/zinc/22/48/95/397224895.db2.gz VHQJAFXUUMLTCP-CYBMUJFWSA-N 1 2 315.439 0.515 10 0 DCAELO CC1=CC[N@@H+](CCNC(=O)NC[C@H]2CCCS2(=O)=O)CC1 ZINC000573974318 397224899 /nfs/dbraw/zinc/22/48/99/397224899.db2.gz VHQJAFXUUMLTCP-CYBMUJFWSA-N 1 2 315.439 0.515 10 0 DCAELO Cc1cc[nH+]cc1N1CCN(C(=O)[C@H]2CC(=O)N(C)C2)CC1 ZINC000407961587 397337734 /nfs/dbraw/zinc/33/77/34/397337734.db2.gz ILRLRYYKBGZHID-ZDUSSCGKSA-N 1 2 302.378 0.517 10 0 DCAELO C[C@H](C[N@@H+]1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O)CS(C)(=O)=O ZINC000408043391 397344896 /nfs/dbraw/zinc/34/48/96/397344896.db2.gz KFUKPKYLLLZUCR-TUVASFSCSA-N 1 2 319.467 0.919 10 0 DCAELO C[C@H](C[N@H+]1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O)CS(C)(=O)=O ZINC000408043391 397344897 /nfs/dbraw/zinc/34/48/97/397344897.db2.gz KFUKPKYLLLZUCR-TUVASFSCSA-N 1 2 319.467 0.919 10 0 DCAELO O=C(CCN1CCCS1(=O)=O)Nc1ccc2[nH+]ccn2c1 ZINC000603883905 397625404 /nfs/dbraw/zinc/62/54/04/397625404.db2.gz IRIZUFSGADKRAO-UHFFFAOYSA-N 1 2 308.363 0.698 10 0 DCAELO CCS(=O)(=O)NCCNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606581211 397683936 /nfs/dbraw/zinc/68/39/36/397683936.db2.gz UZNABKIQDMBWBG-UHFFFAOYSA-N 1 2 311.367 0.395 10 0 DCAELO Cc1cccc(OCCCNC(=O)C[N@@H+]2CCNC(=O)CC2)c1 ZINC000065954557 158034452 /nfs/dbraw/zinc/03/44/52/158034452.db2.gz WZBOPLNIJJPMMJ-UHFFFAOYSA-N 1 2 319.405 0.702 10 0 DCAELO Cc1cccc(OCCCNC(=O)C[N@H+]2CCNC(=O)CC2)c1 ZINC000065954557 158034454 /nfs/dbraw/zinc/03/44/54/158034454.db2.gz WZBOPLNIJJPMMJ-UHFFFAOYSA-N 1 2 319.405 0.702 10 0 DCAELO O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CCNC(=O)C1 ZINC000080007046 158080298 /nfs/dbraw/zinc/08/02/98/158080298.db2.gz WFLDBPOXVVDKBH-UHFFFAOYSA-N 1 2 303.366 0.192 10 0 DCAELO CN(C)c1[nH+]cccc1CNC(=O)NCc1ccc(C(N)=O)o1 ZINC000083180144 158087050 /nfs/dbraw/zinc/08/70/50/158087050.db2.gz MYGMQHCNKCUOAS-UHFFFAOYSA-N 1 2 317.349 0.839 10 0 DCAELO CCc1nc2n(n1)CCC[C@H]2NC(=O)NCC[NH+]1CCOCC1 ZINC000086990720 158091958 /nfs/dbraw/zinc/09/19/58/158091958.db2.gz HPHNBOFPGIHEOB-GFCCVEGCSA-N 1 2 322.413 0.307 10 0 DCAELO CCCNC(=O)[C@H](C)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000105869523 158130281 /nfs/dbraw/zinc/13/02/81/158130281.db2.gz VSPLIZIMQRJWCD-AWEZNQCLSA-N 1 2 307.442 0.843 10 0 DCAELO CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3cnn(C)c3)CC2)C1 ZINC000105846082 158131253 /nfs/dbraw/zinc/13/12/53/158131253.db2.gz YVTQALBBZGRVSJ-QGZVFWFLSA-N 1 2 321.469 0.647 10 0 DCAELO CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](Cc3cnn(C)c3)CC2)C1 ZINC000105846082 158131254 /nfs/dbraw/zinc/13/12/54/158131254.db2.gz YVTQALBBZGRVSJ-QGZVFWFLSA-N 1 2 321.469 0.647 10 0 DCAELO CC(C)N1CCO[C@H](C[NH+]2CCN(Cc3cc[nH]n3)CC2)C1 ZINC000121072203 158206809 /nfs/dbraw/zinc/20/68/09/158206809.db2.gz QJCSLQHBVWXFJO-MRXNPFEDSA-N 1 2 307.442 0.637 10 0 DCAELO O=S(=O)(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1cccs1 ZINC000123603578 158231440 /nfs/dbraw/zinc/23/14/40/158231440.db2.gz BDHAZJWXQCOEQM-NSHDSACASA-N 1 2 302.421 0.890 10 0 DCAELO O=S(=O)(NC[C@H]1C[N@H+](C2CC2)CCO1)c1cccs1 ZINC000123603578 158231441 /nfs/dbraw/zinc/23/14/41/158231441.db2.gz BDHAZJWXQCOEQM-NSHDSACASA-N 1 2 302.421 0.890 10 0 DCAELO Cc1cc(C[C@H](C)NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)[nH]n1 ZINC000124822640 158247873 /nfs/dbraw/zinc/24/78/73/158247873.db2.gz XJUPSPQDIHZUDL-SWLSCSKDSA-N 1 2 321.425 0.765 10 0 DCAELO Cc1nn(C)c(C)c1C(=O)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000125056341 158251138 /nfs/dbraw/zinc/25/11/38/158251138.db2.gz HEXALRZOCIWVBM-ZDUSSCGKSA-N 1 2 304.394 0.916 10 0 DCAELO Cc1nn(C)c(C)c1C(=O)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000125056341 158251139 /nfs/dbraw/zinc/25/11/39/158251139.db2.gz HEXALRZOCIWVBM-ZDUSSCGKSA-N 1 2 304.394 0.916 10 0 DCAELO O=C(CNC(=O)c1ccccc1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000127406596 158272375 /nfs/dbraw/zinc/27/23/75/158272375.db2.gz MYDBFZAHINTGPH-OAHLLOKOSA-N 1 2 317.389 0.396 10 0 DCAELO O=C(CNC(=O)c1ccccc1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000127406596 158272378 /nfs/dbraw/zinc/27/23/78/158272378.db2.gz MYDBFZAHINTGPH-OAHLLOKOSA-N 1 2 317.389 0.396 10 0 DCAELO Cc1[nH]nc(C(C)C)c1C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000129073975 158284745 /nfs/dbraw/zinc/28/47/45/158284745.db2.gz SMSFUAABEOXANE-CYBMUJFWSA-N 1 2 324.425 0.607 10 0 DCAELO Cc1n[nH]c(C(C)C)c1C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000129073975 158284747 /nfs/dbraw/zinc/28/47/47/158284747.db2.gz SMSFUAABEOXANE-CYBMUJFWSA-N 1 2 324.425 0.607 10 0 DCAELO CCN(CC)C(=O)C[N@@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000135716063 158340209 /nfs/dbraw/zinc/34/02/09/158340209.db2.gz VRSJYLPKPJVMLU-CYBMUJFWSA-N 1 2 317.455 0.355 10 0 DCAELO CCN(CC)C(=O)C[N@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000135716063 158340211 /nfs/dbraw/zinc/34/02/11/158340211.db2.gz VRSJYLPKPJVMLU-CYBMUJFWSA-N 1 2 317.455 0.355 10 0 DCAELO COCCOCCC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000138441681 158346552 /nfs/dbraw/zinc/34/65/52/158346552.db2.gz NVSGRNCYCBYBKV-UHFFFAOYSA-N 1 2 304.350 0.937 10 0 DCAELO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000172543103 158395591 /nfs/dbraw/zinc/39/55/91/158395591.db2.gz RGYLSNRJZQPDBS-FRRDWIJNSA-N 1 2 312.414 0.050 10 0 DCAELO CN(C)c1[nH+]cccc1CNC(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000172542087 158395773 /nfs/dbraw/zinc/39/57/73/158395773.db2.gz ZZISAPLVQLNCOL-DGCLKSJQSA-N 1 2 319.409 0.991 10 0 DCAELO Cc1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000172742052 158398826 /nfs/dbraw/zinc/39/88/26/158398826.db2.gz RLAVZKDVNZZCOQ-HNNXBMFYSA-N 1 2 317.389 0.867 10 0 DCAELO C[C@@H]1C(=O)NCCCN1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000191518115 158569296 /nfs/dbraw/zinc/56/92/96/158569296.db2.gz IZMPFMCBGOSQTM-OLZOCXBDSA-N 1 2 317.393 0.580 10 0 DCAELO C[C@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC(=O)N1C ZINC000328729337 159025128 /nfs/dbraw/zinc/02/51/28/159025128.db2.gz WBPOAXAVRGSJJT-JSGCOSHPSA-N 1 2 309.410 0.176 10 0 DCAELO C[C@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC(=O)N1C ZINC000328729337 159025129 /nfs/dbraw/zinc/02/51/29/159025129.db2.gz WBPOAXAVRGSJJT-JSGCOSHPSA-N 1 2 309.410 0.176 10 0 DCAELO COc1ccc(CC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)nc1 ZINC000329169929 159069957 /nfs/dbraw/zinc/06/99/57/159069957.db2.gz JKTMOFGJTUKRNG-GJZGRUSLSA-N 1 2 305.378 0.564 10 0 DCAELO COc1ccc(CC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)nc1 ZINC000329169929 159069959 /nfs/dbraw/zinc/06/99/59/159069959.db2.gz JKTMOFGJTUKRNG-GJZGRUSLSA-N 1 2 305.378 0.564 10 0 DCAELO c1[nH]nc([C@@H]2CCOC2)c1-c1nc([C@H]2C[NH+]3CCN2CC3)no1 ZINC000329579498 159103631 /nfs/dbraw/zinc/10/36/31/159103631.db2.gz KTZHKOPGBRJAIA-ZYHUDNBSSA-N 1 2 316.365 0.636 10 0 DCAELO CN1CC[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000329785065 159119452 /nfs/dbraw/zinc/11/94/52/159119452.db2.gz PTIRJJKQVYKTPB-OCCSQVGLSA-N 1 2 323.347 0.922 10 0 DCAELO CC[C@@H]1CN(C(=O)[C@@]2(OC)CCOC2)C[C@@H]1[NH+]1CCOCC1 ZINC000329943986 159129945 /nfs/dbraw/zinc/12/99/45/159129945.db2.gz WNPACCLBUCXBBY-IJEWVQPXSA-N 1 2 312.410 0.361 10 0 DCAELO CCN1CC[N@@H+]([C@H]2CCN(C3CC3)C2=O)C[C@H]1c1ncc[nH]1 ZINC000329964550 159131843 /nfs/dbraw/zinc/13/18/43/159131843.db2.gz UNKXGWMOCDMSRX-KBPBESRZSA-N 1 2 303.410 0.852 10 0 DCAELO CCN1CC[N@H+]([C@H]2CCN(C3CC3)C2=O)C[C@H]1c1ncc[nH]1 ZINC000329964550 159131845 /nfs/dbraw/zinc/13/18/45/159131845.db2.gz UNKXGWMOCDMSRX-KBPBESRZSA-N 1 2 303.410 0.852 10 0 DCAELO CO[C@@H]1C[NH+](CC(=O)N2CCC(c3ccccc3)=N2)C[C@H]1OC ZINC000330177551 159148076 /nfs/dbraw/zinc/14/80/76/159148076.db2.gz KVYXPWQCRGBQJI-HZPDHXFCSA-N 1 2 317.389 0.969 10 0 DCAELO O=C1N[C@]2(CCOC2)C(=O)N1C1CCN(c2cccc[nH+]2)CC1 ZINC000330280063 159155969 /nfs/dbraw/zinc/15/59/69/159155969.db2.gz RYMPSTRYIWCWSL-INIZCTEOSA-N 1 2 316.361 0.966 10 0 DCAELO CN(C)C(=O)C1(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000330302047 159158506 /nfs/dbraw/zinc/15/85/06/159158506.db2.gz OBNUSPUIGUBCTD-CYBMUJFWSA-N 1 2 303.362 0.930 10 0 DCAELO COc1nc(C)ccc1C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000408022155 160014251 /nfs/dbraw/zinc/01/42/51/160014251.db2.gz RJRBNPPOHJLSJD-UONOGXRCSA-N 1 2 305.378 0.944 10 0 DCAELO COc1nc(C)ccc1C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000408022155 160014255 /nfs/dbraw/zinc/01/42/55/160014255.db2.gz RJRBNPPOHJLSJD-UONOGXRCSA-N 1 2 305.378 0.944 10 0 DCAELO Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@H]2COCCN2C)CC1 ZINC000408033645 160018007 /nfs/dbraw/zinc/01/80/07/160018007.db2.gz OWHWLQFVMCDXNL-OAHLLOKOSA-N 1 2 322.409 0.266 10 0 DCAELO C[C@@H]1CN(C(=O)C2CC[NH+](CC(F)F)CC2)C[C@H]1C(N)=O ZINC000408064282 160026363 /nfs/dbraw/zinc/02/63/63/160026363.db2.gz VJXDVLJFHIGSHY-MWLCHTKSSA-N 1 2 303.353 0.543 10 0 DCAELO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)o1 ZINC000408099967 160035899 /nfs/dbraw/zinc/03/58/99/160035899.db2.gz ZRRCKYRVSSQGEF-MNOVXSKESA-N 1 2 302.396 0.664 10 0 DCAELO Cc1ccc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)o1 ZINC000408099967 160035901 /nfs/dbraw/zinc/03/59/01/160035901.db2.gz ZRRCKYRVSSQGEF-MNOVXSKESA-N 1 2 302.396 0.664 10 0 DCAELO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)N2CCCCC2)CC1 ZINC000408106682 160037179 /nfs/dbraw/zinc/03/71/79/160037179.db2.gz YZQROXVUSSRDHX-ZDUSSCGKSA-N 1 2 305.444 0.106 10 0 DCAELO C[C@@H]1CCN(S(=O)(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000408142472 160046896 /nfs/dbraw/zinc/04/68/96/160046896.db2.gz XAEZFMQLTODQIT-GFCCVEGCSA-N 1 2 313.427 0.114 10 0 DCAELO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)[C@@H]1CNC(=O)C1)C2 ZINC000408156702 160049187 /nfs/dbraw/zinc/04/91/87/160049187.db2.gz AYTKVVWYRBSQOG-WDEREUQCSA-N 1 2 304.394 0.748 10 0 DCAELO O=C(C[N@H+]1CCC[C@@](O)(C(F)(F)F)C1)NC(=O)NC1CC1 ZINC000408187837 160056377 /nfs/dbraw/zinc/05/63/77/160056377.db2.gz ANYURIPEDHLGKL-NSHDSACASA-N 1 2 309.288 0.364 10 0 DCAELO O=C(C[N@@H+]1CCC[C@@](O)(C(F)(F)F)C1)NC(=O)NC1CC1 ZINC000408187837 160056378 /nfs/dbraw/zinc/05/63/78/160056378.db2.gz ANYURIPEDHLGKL-NSHDSACASA-N 1 2 309.288 0.364 10 0 DCAELO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC([C@H](C)O)CC1 ZINC000408208336 160061141 /nfs/dbraw/zinc/06/11/41/160061141.db2.gz MBGBJDRMBKSXHR-KGLIPLIRSA-N 1 2 312.458 0.425 10 0 DCAELO C[C@H](C(=O)N1CCC(C)CC1)[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000408218632 160062404 /nfs/dbraw/zinc/06/24/04/160062404.db2.gz JCVGOKPHVMALFQ-ZIAGYGMSSA-N 1 2 316.467 1.000 10 0 DCAELO C[C@H](C(=O)N1CCC(C)CC1)[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000408218632 160062405 /nfs/dbraw/zinc/06/24/05/160062405.db2.gz JCVGOKPHVMALFQ-ZIAGYGMSSA-N 1 2 316.467 1.000 10 0 DCAELO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+](C)C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000408219875 160062867 /nfs/dbraw/zinc/06/28/67/160062867.db2.gz RAKVWZKHEBHBKP-MCIONIFRSA-N 1 2 316.467 0.857 10 0 DCAELO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+](C)C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000408219875 160062869 /nfs/dbraw/zinc/06/28/69/160062869.db2.gz RAKVWZKHEBHBKP-MCIONIFRSA-N 1 2 316.467 0.857 10 0 DCAELO CNC(=O)N[C@H]1CC[N@@H+]([C@@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000408257035 160070664 /nfs/dbraw/zinc/07/06/64/160070664.db2.gz NZSFUAYCAYHNQT-VHSXEESVSA-N 1 2 322.331 0.543 10 0 DCAELO CNC(=O)N[C@H]1CC[N@H+]([C@@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000408257035 160070666 /nfs/dbraw/zinc/07/06/66/160070666.db2.gz NZSFUAYCAYHNQT-VHSXEESVSA-N 1 2 322.331 0.543 10 0 DCAELO C[N@@H+]1CCO[C@H]2CN(C(=O)c3cccc(NC(N)=O)c3)C[C@@H]21 ZINC000408292939 160077757 /nfs/dbraw/zinc/07/77/57/160077757.db2.gz FFPSYZVQQGFQPI-STQMWFEESA-N 1 2 304.350 0.332 10 0 DCAELO C[N@H+]1CCO[C@H]2CN(C(=O)c3cccc(NC(N)=O)c3)C[C@@H]21 ZINC000408292939 160077759 /nfs/dbraw/zinc/07/77/59/160077759.db2.gz FFPSYZVQQGFQPI-STQMWFEESA-N 1 2 304.350 0.332 10 0 DCAELO C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)CC(F)(F)F ZINC000408310726 160082691 /nfs/dbraw/zinc/08/26/91/160082691.db2.gz UDEYFEBTMCJFIZ-VIFPVBQESA-N 1 2 303.350 0.104 10 0 DCAELO COc1cccc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)c1 ZINC000129599605 286989233 /nfs/dbraw/zinc/98/92/33/286989233.db2.gz XVCZLFUNPKPHHS-UHFFFAOYSA-N 1 2 303.362 0.940 10 0 DCAELO CC(C)(CNC(=O)N[C@@H]1CCCn2ncnc21)[NH+]1CCOCC1 ZINC000177356841 287054584 /nfs/dbraw/zinc/05/45/84/287054584.db2.gz JESCLAWDEDSVEM-GFCCVEGCSA-N 1 2 322.413 0.523 10 0 DCAELO CCC[C@H]1C(=O)NCC[N@H+]1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000245761172 287072806 /nfs/dbraw/zinc/07/28/06/287072806.db2.gz QBWDNAIJDIDTLQ-OLZOCXBDSA-N 1 2 317.455 0.259 10 0 DCAELO CCC[C@H]1C(=O)NCC[N@@H+]1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000245761172 287072810 /nfs/dbraw/zinc/07/28/10/287072810.db2.gz QBWDNAIJDIDTLQ-OLZOCXBDSA-N 1 2 317.455 0.259 10 0 DCAELO Cc1cc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)c(C)o1 ZINC000245842397 287073447 /nfs/dbraw/zinc/07/34/47/287073447.db2.gz DTHUEXFEQIRSRH-MNOVXSKESA-N 1 2 316.423 0.972 10 0 DCAELO Cc1cc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)c(C)o1 ZINC000245842397 287073449 /nfs/dbraw/zinc/07/34/49/287073449.db2.gz DTHUEXFEQIRSRH-MNOVXSKESA-N 1 2 316.423 0.972 10 0 DCAELO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)C[C@@H](C)O1 ZINC000246436055 287083717 /nfs/dbraw/zinc/08/37/17/287083717.db2.gz UBXRNPGIIFTLJP-FOGDFJRCSA-N 1 2 310.316 0.621 10 0 DCAELO C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)C[C@@H](C)O1 ZINC000246436055 287083720 /nfs/dbraw/zinc/08/37/20/287083720.db2.gz UBXRNPGIIFTLJP-FOGDFJRCSA-N 1 2 310.316 0.621 10 0 DCAELO COCC[N@@H+]1CCN(S(=O)(=O)C[C@H]2CCOC2)C[C@@H]1C ZINC000246972533 287089703 /nfs/dbraw/zinc/08/97/03/287089703.db2.gz DXVCRVWVLRSRRC-STQMWFEESA-N 1 2 306.428 0.005 10 0 DCAELO COCC[N@H+]1CCN(S(=O)(=O)C[C@H]2CCOC2)C[C@@H]1C ZINC000246972533 287089704 /nfs/dbraw/zinc/08/97/04/287089704.db2.gz DXVCRVWVLRSRRC-STQMWFEESA-N 1 2 306.428 0.005 10 0 DCAELO COCC[N@@H+]1CCN(C(=O)N[C@H](C)C[S@@](C)=O)C[C@H]1C ZINC000248506714 287098044 /nfs/dbraw/zinc/09/80/44/287098044.db2.gz WYDPHBQCDLECJI-FKANQGBASA-N 1 2 305.444 0.116 10 0 DCAELO COCC[N@H+]1CCN(C(=O)N[C@H](C)C[S@@](C)=O)C[C@H]1C ZINC000248506714 287098045 /nfs/dbraw/zinc/09/80/45/287098045.db2.gz WYDPHBQCDLECJI-FKANQGBASA-N 1 2 305.444 0.116 10 0 DCAELO CNC(=O)[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000249737554 287117781 /nfs/dbraw/zinc/11/77/81/287117781.db2.gz FZEFUBGLDLIFQF-MNOVXSKESA-N 1 2 321.343 0.998 10 0 DCAELO CNC(=O)[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000249737554 287117782 /nfs/dbraw/zinc/11/77/82/287117782.db2.gz FZEFUBGLDLIFQF-MNOVXSKESA-N 1 2 321.343 0.998 10 0 DCAELO CC[C@@H]1C[N@H+](C[C@H](C)CS(C)(=O)=O)CCN1C[C@@H](C)O ZINC000246571236 287198492 /nfs/dbraw/zinc/19/84/92/287198492.db2.gz NZRZGVNSBNMQJP-BFHYXJOUSA-N 1 2 306.472 0.444 10 0 DCAELO CC[C@@H]1C[N@@H+](C[C@H](C)CS(C)(=O)=O)CCN1C[C@@H](C)O ZINC000246571236 287198493 /nfs/dbraw/zinc/19/84/93/287198493.db2.gz NZRZGVNSBNMQJP-BFHYXJOUSA-N 1 2 306.472 0.444 10 0 DCAELO COC(=O)c1cc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)no1 ZINC000408061002 287233223 /nfs/dbraw/zinc/23/32/23/287233223.db2.gz VFRVVPRYRPWIHD-QWRGUYRKSA-N 1 2 309.322 0.006 10 0 DCAELO COC(=O)c1cc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)no1 ZINC000408061002 287233225 /nfs/dbraw/zinc/23/32/25/287233225.db2.gz VFRVVPRYRPWIHD-QWRGUYRKSA-N 1 2 309.322 0.006 10 0 DCAELO C[C@H](CNC(=O)Nc1cc(C(N)=O)ccc1F)[NH+]1CCOCC1 ZINC000047875164 415279880 /nfs/dbraw/zinc/27/98/80/415279880.db2.gz KEUMOCOPHHKPTM-SNVBAGLBSA-N 1 2 324.356 0.767 10 0 DCAELO O=C(CNC(=O)NC1CCN(c2cccc[nH+]2)CC1)NC1CC1 ZINC000048178705 415285951 /nfs/dbraw/zinc/28/59/51/415285951.db2.gz IKODBTLGQIGDAW-UHFFFAOYSA-N 1 2 317.393 0.628 10 0 DCAELO CCOCCNC(=O)C[N@H+](C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000084694611 415501072 /nfs/dbraw/zinc/50/10/72/415501072.db2.gz RINJRIYYCPEINT-OAHLLOKOSA-N 1 2 319.405 0.876 10 0 DCAELO CCOCCNC(=O)C[N@@H+](C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000084694611 415501082 /nfs/dbraw/zinc/50/10/82/415501082.db2.gz RINJRIYYCPEINT-OAHLLOKOSA-N 1 2 319.405 0.876 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)CCC(=O)NC3CCCC3)C[C@@H]21 ZINC000332760124 415464118 /nfs/dbraw/zinc/46/41/18/415464118.db2.gz YQCYFZGFWPBDMW-GJZGRUSLSA-N 1 2 323.437 0.757 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)CCC(=O)NC3CCCC3)C[C@@H]21 ZINC000332760124 415464128 /nfs/dbraw/zinc/46/41/28/415464128.db2.gz YQCYFZGFWPBDMW-GJZGRUSLSA-N 1 2 323.437 0.757 10 0 DCAELO Cn1cc([C@@H]2OCC[C@H]2NC(=O)N2CCn3c[nH+]cc3C2)cn1 ZINC000333322553 415610023 /nfs/dbraw/zinc/61/00/23/415610023.db2.gz BFWIHFKGEVPSEN-KGLIPLIRSA-N 1 2 316.365 0.672 10 0 DCAELO C[N@@H+](CC(N)=O)C[C@H]1CN([C@@H]2CCc3ccc(F)cc32)CCO1 ZINC000282113961 415578744 /nfs/dbraw/zinc/57/87/44/415578744.db2.gz QCSLYZOUSFYEKG-GOEBONIOSA-N 1 2 321.396 0.931 10 0 DCAELO C[N@H+](CC(N)=O)C[C@H]1CN([C@@H]2CCc3ccc(F)cc32)CCO1 ZINC000282113961 415578746 /nfs/dbraw/zinc/57/87/46/415578746.db2.gz QCSLYZOUSFYEKG-GOEBONIOSA-N 1 2 321.396 0.931 10 0 DCAELO CN(CC(N)=O)C[C@H]1C[N@@H+]([C@@H]2CCc3ccc(F)cc32)CCO1 ZINC000282113961 415578750 /nfs/dbraw/zinc/57/87/50/415578750.db2.gz QCSLYZOUSFYEKG-GOEBONIOSA-N 1 2 321.396 0.931 10 0 DCAELO CN(CC(N)=O)C[C@H]1C[N@H+]([C@@H]2CCc3ccc(F)cc32)CCO1 ZINC000282113961 415578755 /nfs/dbraw/zinc/57/87/55/415578755.db2.gz QCSLYZOUSFYEKG-GOEBONIOSA-N 1 2 321.396 0.931 10 0 DCAELO Cn1nnc2c1C[C@@H](C(=O)NCc1cn3c([nH+]1)CCCC3)CC2 ZINC000290186512 415774108 /nfs/dbraw/zinc/77/41/08/415774108.db2.gz UFXTXRLXXORCIO-NSHDSACASA-N 1 2 314.393 0.769 10 0 DCAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1cccc(F)c1F ZINC000128098288 415894549 /nfs/dbraw/zinc/89/45/49/415894549.db2.gz LYCMVWYMLFMZPA-JTQLQIEISA-N 1 2 300.305 0.388 10 0 DCAELO COC[C@H]1C[C@@H](OC)C[N@@H+]1Cc1nnnn1-c1ccccc1 ZINC000344366222 415900239 /nfs/dbraw/zinc/90/02/39/415900239.db2.gz LMFGFGMCLIWOSC-ZIAGYGMSSA-N 1 2 303.366 0.898 10 0 DCAELO COC[C@H]1C[C@@H](OC)C[N@H+]1Cc1nnnn1-c1ccccc1 ZINC000344366222 415900242 /nfs/dbraw/zinc/90/02/42/415900242.db2.gz LMFGFGMCLIWOSC-ZIAGYGMSSA-N 1 2 303.366 0.898 10 0 DCAELO COC(=O)[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000132352538 415932302 /nfs/dbraw/zinc/93/23/02/415932302.db2.gz YFMSHWIICSESQE-QWHCGFSZSA-N 1 2 318.439 0.686 10 0 DCAELO COC(=O)[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000132352538 415932307 /nfs/dbraw/zinc/93/23/07/415932307.db2.gz YFMSHWIICSESQE-QWHCGFSZSA-N 1 2 318.439 0.686 10 0 DCAELO COC[C@@H]1C[N@H+](CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CCO1 ZINC000172887958 416050272 /nfs/dbraw/zinc/05/02/72/416050272.db2.gz LPAWMXFGNOZVMV-KKUMJFAQSA-N 1 2 312.410 0.504 10 0 DCAELO COC[C@@H]1C[N@@H+](CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CCO1 ZINC000172887958 416050274 /nfs/dbraw/zinc/05/02/74/416050274.db2.gz LPAWMXFGNOZVMV-KKUMJFAQSA-N 1 2 312.410 0.504 10 0 DCAELO Cc1cc(C(=O)N2CCCC[C@H](N3CC[NH+](C)CC3)C2)[nH]n1 ZINC000173288013 416056286 /nfs/dbraw/zinc/05/62/86/416056286.db2.gz JILPEHAQELKUAV-AWEZNQCLSA-N 1 2 305.426 0.960 10 0 DCAELO Cc1cc(C(=O)N2CCCC[C@H](N3CC[NH+](C)CC3)C2)n[nH]1 ZINC000173288013 416056302 /nfs/dbraw/zinc/05/63/02/416056302.db2.gz JILPEHAQELKUAV-AWEZNQCLSA-N 1 2 305.426 0.960 10 0 DCAELO Cc1cc(C(=O)N2CCCC[C@H]([NH+]3CCN(C)CC3)C2)[nH]n1 ZINC000173288013 416056306 /nfs/dbraw/zinc/05/63/06/416056306.db2.gz JILPEHAQELKUAV-AWEZNQCLSA-N 1 2 305.426 0.960 10 0 DCAELO Cc1cc(C(=O)N2CCCC[C@H]([NH+]3CCN(C)CC3)C2)n[nH]1 ZINC000173288013 416056311 /nfs/dbraw/zinc/05/63/11/416056311.db2.gz JILPEHAQELKUAV-AWEZNQCLSA-N 1 2 305.426 0.960 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2ccnn2C)nc[nH+]1 ZINC000173422290 416059072 /nfs/dbraw/zinc/05/90/72/416059072.db2.gz XLWSKAKHETVCSU-NSHDSACASA-N 1 2 315.381 0.651 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2ccnn2C)[nH+]cn1 ZINC000173422290 416059076 /nfs/dbraw/zinc/05/90/76/416059076.db2.gz XLWSKAKHETVCSU-NSHDSACASA-N 1 2 315.381 0.651 10 0 DCAELO CC[C@H](CO)NC(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000173424288 416059340 /nfs/dbraw/zinc/05/93/40/416059340.db2.gz GNUJZAYTYYHTMP-VXGBXAGGSA-N 1 2 322.413 0.557 10 0 DCAELO CC[C@H](CO)NC(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000173424288 416059341 /nfs/dbraw/zinc/05/93/41/416059341.db2.gz GNUJZAYTYYHTMP-VXGBXAGGSA-N 1 2 322.413 0.557 10 0 DCAELO CCOCC[N@@H+]1CCN(S(=O)(=O)N(C)CC)C[C@@H]1CC ZINC000173509427 416060855 /nfs/dbraw/zinc/06/08/55/416060855.db2.gz QZJBMJAXHDLMOB-ZDUSSCGKSA-N 1 2 307.460 0.616 10 0 DCAELO CCOCC[N@H+]1CCN(S(=O)(=O)N(C)CC)C[C@@H]1CC ZINC000173509427 416060857 /nfs/dbraw/zinc/06/08/57/416060857.db2.gz QZJBMJAXHDLMOB-ZDUSSCGKSA-N 1 2 307.460 0.616 10 0 DCAELO O=S(=O)(CC1CCOCC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173644929 416062383 /nfs/dbraw/zinc/06/23/83/416062383.db2.gz XFRNONAJPNEZKK-CQSZACIVSA-N 1 2 318.439 0.149 10 0 DCAELO C[C@H](CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)Cn1cccn1 ZINC000173788200 416066462 /nfs/dbraw/zinc/06/64/62/416066462.db2.gz DFGWBUUHHKIUCI-CABCVRRESA-N 1 2 321.425 0.635 10 0 DCAELO CC(C)N1CC[C@@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1=O ZINC000173893346 416066971 /nfs/dbraw/zinc/06/69/71/416066971.db2.gz HXQKHKOATCZUMG-ZIAGYGMSSA-N 1 2 324.425 0.112 10 0 DCAELO c1ccc(-n2nnnc2CN2CC[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000173946203 416070019 /nfs/dbraw/zinc/07/00/19/416070019.db2.gz FBNNPOZIZWELGZ-OAHLLOKOSA-N 1 2 314.393 0.569 10 0 DCAELO c1ccc(-n2nnnc2C[N@@H+]2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000173946203 416070022 /nfs/dbraw/zinc/07/00/22/416070022.db2.gz FBNNPOZIZWELGZ-OAHLLOKOSA-N 1 2 314.393 0.569 10 0 DCAELO c1ccc(-n2nnnc2C[N@H+]2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000173946203 416070025 /nfs/dbraw/zinc/07/00/25/416070025.db2.gz FBNNPOZIZWELGZ-OAHLLOKOSA-N 1 2 314.393 0.569 10 0 DCAELO CN1C(=O)C[C@@H](C(=O)NCCc2[nH]cc[nH+]2)[C@H]1c1cccnc1 ZINC000174755185 416086176 /nfs/dbraw/zinc/08/61/76/416086176.db2.gz MGOFCURQVXGZGN-IUODEOHRSA-N 1 2 313.361 0.683 10 0 DCAELO O[C@@H](CNc1ccc2nnc(C3CC3)n2n1)C[NH+]1CCOCC1 ZINC000301744727 416089964 /nfs/dbraw/zinc/08/99/64/416089964.db2.gz WQPHBIVSKZOKTN-LBPRGKRZSA-N 1 2 318.381 0.107 10 0 DCAELO O=C1c2ccc(F)cc2C(=O)N1C[C@H](O)C[NH+]1CCOCC1 ZINC000176381466 416125899 /nfs/dbraw/zinc/12/58/99/416125899.db2.gz SCJFEWSQUPCHSN-LLVKDONJSA-N 1 2 308.309 0.115 10 0 DCAELO Cc1nnc([C@@H]2CN(C(=O)[C@@H]3CCCn4cc[nH+]c43)CCO2)[nH]1 ZINC000176473278 416126031 /nfs/dbraw/zinc/12/60/31/416126031.db2.gz HTGJDPPXBKIUFX-NEPJUHHUSA-N 1 2 316.365 0.787 10 0 DCAELO CC[C@@H]1CN(C(=O)[C@@H](C)CS(C)(=O)=O)CC[N@@H+]1CCOC ZINC000176860274 416136003 /nfs/dbraw/zinc/13/60/03/416136003.db2.gz IATPAOCHWMNVRL-QWHCGFSZSA-N 1 2 320.455 0.236 10 0 DCAELO CC[C@@H]1CN(C(=O)[C@@H](C)CS(C)(=O)=O)CC[N@H+]1CCOC ZINC000176860274 416136006 /nfs/dbraw/zinc/13/60/06/416136006.db2.gz IATPAOCHWMNVRL-QWHCGFSZSA-N 1 2 320.455 0.236 10 0 DCAELO Cc1ccc(C)c(NC(=O)C(=O)NC[C@H]2C[NH+]3CCN2CC3)c1 ZINC000178960598 416179354 /nfs/dbraw/zinc/17/93/54/416179354.db2.gz NMFMIBUDHIRRRS-AWEZNQCLSA-N 1 2 316.405 0.358 10 0 DCAELO COC(=O)C12CCC(C(=O)N3C[C@H]4OCC[N@H+](C)[C@@H]4C3)(CC1)C2 ZINC000346247408 416192219 /nfs/dbraw/zinc/19/22/19/416192219.db2.gz FYCHMOJXNAXDTQ-QJRTVWDNSA-N 1 2 322.405 0.651 10 0 DCAELO COC(=O)C12CCC(C(=O)N3C[C@H]4OCC[N@@H+](C)[C@@H]4C3)(CC1)C2 ZINC000346247408 416192222 /nfs/dbraw/zinc/19/22/22/416192222.db2.gz FYCHMOJXNAXDTQ-QJRTVWDNSA-N 1 2 322.405 0.651 10 0 DCAELO CC(C)[C@@H]([NH2+]C[C@H](O)CN1CCCC1=O)C(=O)OC(C)(C)C ZINC000180044330 416194186 /nfs/dbraw/zinc/19/41/86/416194186.db2.gz BUBFWWDWGJBLEE-GXTWGEPZSA-N 1 2 314.426 0.926 10 0 DCAELO COCCCOCC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000180635598 416199714 /nfs/dbraw/zinc/19/97/14/416199714.db2.gz VOXIUPXWSNZFJS-OAHLLOKOSA-N 1 2 314.426 0.753 10 0 DCAELO CC[C@@H](O)C[NH+]1CCN(C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)CC1 ZINC000182013898 416213103 /nfs/dbraw/zinc/21/31/03/416213103.db2.gz FFOJXQJCRSOYHZ-SWLSCSKDSA-N 1 2 323.441 0.747 10 0 DCAELO COC(=O)c1coc(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)c1 ZINC000183491568 416241264 /nfs/dbraw/zinc/24/12/64/416241264.db2.gz NUSIQJQDZXJRAT-UHFFFAOYSA-N 1 2 310.350 0.907 10 0 DCAELO COC(=O)c1coc(C(=O)NCC[N@H+]2CCOC(C)(C)C2)c1 ZINC000183491568 416241269 /nfs/dbraw/zinc/24/12/69/416241269.db2.gz NUSIQJQDZXJRAT-UHFFFAOYSA-N 1 2 310.350 0.907 10 0 DCAELO CC(C)[C@H](NC(N)=O)C(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000183553030 416245182 /nfs/dbraw/zinc/24/51/82/416245182.db2.gz RHLGFBVJOSRATA-AWEZNQCLSA-N 1 2 319.409 0.813 10 0 DCAELO COC(=O)c1coc(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c1 ZINC000183544208 416245678 /nfs/dbraw/zinc/24/56/78/416245678.db2.gz QCJWAZMDAXJNJC-GHMZBOCLSA-N 1 2 310.350 0.905 10 0 DCAELO COCc1noc(CN2CC[NH+](C[C@@H](O)C(F)(F)F)CC2)n1 ZINC000189612553 416268267 /nfs/dbraw/zinc/26/82/67/416268267.db2.gz NCYWJWFSZUIROH-SECBINFHSA-N 1 2 324.303 0.257 10 0 DCAELO COC[C@@H](NC(=O)N1CCN(C)[C@@H](c2[nH]cc[nH+]2)C1)C1CC1 ZINC000583615655 416479189 /nfs/dbraw/zinc/47/91/89/416479189.db2.gz YQQYOWDKZHMPKO-CHWSQXEVSA-N 1 2 307.398 0.833 10 0 DCAELO Cc1nccnc1N1CC[NH+](CC(=O)N(C)CC2CC2)CC1 ZINC000440502672 416636918 /nfs/dbraw/zinc/63/69/18/416636918.db2.gz GUOUVVRLYZWASI-UHFFFAOYSA-N 1 2 303.410 0.775 10 0 DCAELO O=C(C[N@@H+]1CCN2CCOC[C@H]2C1)NC(=O)Nc1ccccc1 ZINC000368816429 416694620 /nfs/dbraw/zinc/69/46/20/416694620.db2.gz KAZTXDJRADQGGC-CQSZACIVSA-N 1 2 318.377 0.351 10 0 DCAELO O=C(C[N@H+]1CCN2CCOC[C@H]2C1)NC(=O)Nc1ccccc1 ZINC000368816429 416694621 /nfs/dbraw/zinc/69/46/21/416694621.db2.gz KAZTXDJRADQGGC-CQSZACIVSA-N 1 2 318.377 0.351 10 0 DCAELO Cc1ccc(CNC(=O)C[N@@H+]2CCN3CCOC[C@@H]3C2)cc1F ZINC000368826702 416695584 /nfs/dbraw/zinc/69/55/84/416695584.db2.gz SBDWSZAPTSSFSM-HNNXBMFYSA-N 1 2 321.396 0.767 10 0 DCAELO Cc1ccc(CNC(=O)C[N@H+]2CCN3CCOC[C@@H]3C2)cc1F ZINC000368826702 416695589 /nfs/dbraw/zinc/69/55/89/416695589.db2.gz SBDWSZAPTSSFSM-HNNXBMFYSA-N 1 2 321.396 0.767 10 0 DCAELO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)N(C)CC(C)C)CC1 ZINC000408154599 417142929 /nfs/dbraw/zinc/14/29/29/417142929.db2.gz LDLSIKNWWBUWDB-CYBMUJFWSA-N 1 2 307.460 0.208 10 0 DCAELO Cn1cc[nH+]c1[C@@H]1CN(C(=O)Nc2nncs2)CCN1C ZINC000408332550 417156904 /nfs/dbraw/zinc/15/69/04/417156904.db2.gz UZRUIYNIPINBKN-VIFPVBQESA-N 1 2 307.383 0.792 10 0 DCAELO C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)c2ncn[nH]2)C1 ZINC000620724170 417267639 /nfs/dbraw/zinc/26/76/39/417267639.db2.gz WXFKZCZEBQXQBQ-CQSZACIVSA-N 1 2 314.393 0.351 10 0 DCAELO CCOC(=O)[C@H]1C[N@@H+]([C@@H](C)c2nnnn2C2CC2)CC12COC2 ZINC000451139238 417305600 /nfs/dbraw/zinc/30/56/00/417305600.db2.gz RWUYARDFJKVFFR-CMPLNLGQSA-N 1 2 321.381 0.581 10 0 DCAELO CCOC(=O)[C@H]1C[N@H+]([C@@H](C)c2nnnn2C2CC2)CC12COC2 ZINC000451139238 417305608 /nfs/dbraw/zinc/30/56/08/417305608.db2.gz RWUYARDFJKVFFR-CMPLNLGQSA-N 1 2 321.381 0.581 10 0 DCAELO CCn1cc[nH+]c1CNC(=O)c1cccc(S(=O)(=O)NC)c1 ZINC000452571526 417490768 /nfs/dbraw/zinc/49/07/68/417490768.db2.gz COTHVBMQRIAEQU-UHFFFAOYSA-N 1 2 322.390 0.741 10 0 DCAELO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1cncc(Br)c1 ZINC000628926699 417731097 /nfs/dbraw/zinc/73/10/97/417731097.db2.gz XMRGGUFSDJTBBO-NSHDSACASA-N 1 2 314.183 0.905 10 0 DCAELO C[N@H+]1CCOC[C@@H]1CNC(=O)c1cncc(Br)c1 ZINC000628926699 417731101 /nfs/dbraw/zinc/73/11/01/417731101.db2.gz XMRGGUFSDJTBBO-NSHDSACASA-N 1 2 314.183 0.905 10 0 DCAELO CC[NH+]1CCN(S(=O)(=O)[C@@H]2CCC[C@H]2C(=O)OC)CC1 ZINC000233489496 261154101 /nfs/dbraw/zinc/15/41/01/261154101.db2.gz DXTMGYUYVBKKMA-VXGBXAGGSA-N 1 2 304.412 0.295 10 0 DCAELO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000362860902 262082322 /nfs/dbraw/zinc/08/23/22/262082322.db2.gz WWGFKJZTIPMWPR-STQMWFEESA-N 1 2 322.413 0.414 10 0 DCAELO O=C(C[N@@H+]1CCN2CCOC[C@H]2C1)NC(=O)NC1CCCCC1 ZINC000363791808 262130064 /nfs/dbraw/zinc/13/00/64/262130064.db2.gz DSEDUDWVYHVCSI-CQSZACIVSA-N 1 2 324.425 0.161 10 0 DCAELO O=C(C[N@H+]1CCN2CCOC[C@H]2C1)NC(=O)NC1CCCCC1 ZINC000363791808 262130065 /nfs/dbraw/zinc/13/00/65/262130065.db2.gz DSEDUDWVYHVCSI-CQSZACIVSA-N 1 2 324.425 0.161 10 0 DCAELO CCS(=O)(=O)N(C)C1CC[NH+]([C@@H](C(=O)OC)C2CC2)CC1 ZINC000359601942 271129493 /nfs/dbraw/zinc/12/94/93/271129493.db2.gz UFNMLHYNQFYRRL-CYBMUJFWSA-N 1 2 318.439 0.684 10 0 DCAELO COC(=O)[C@@H](C1CC1)[NH+]1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000359612397 271132044 /nfs/dbraw/zinc/13/20/44/271132044.db2.gz ROTUXHCSHZXPME-OAHLLOKOSA-N 1 2 317.389 0.859 10 0 DCAELO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1cc[nH+]cc1C ZINC000488579339 272047069 /nfs/dbraw/zinc/04/70/69/272047069.db2.gz IHOGYZKUDHHLGM-QWRGUYRKSA-N 1 2 322.365 0.390 10 0 DCAELO CCCCNC(=O)[C@H](C)[NH+]1CCN(C(C)(C)C(=O)OC)CC1 ZINC000494415805 272221758 /nfs/dbraw/zinc/22/17/58/272221758.db2.gz RZGYBEDVNJNANV-ZDUSSCGKSA-N 1 2 313.442 0.860 10 0 DCAELO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)[C@@H]1CCC(=O)N1)C2 ZINC000408103693 277270243 /nfs/dbraw/zinc/27/02/43/277270243.db2.gz IVMCYEVPJJTHLI-MNOVXSKESA-N 1 2 304.394 0.890 10 0 DCAELO Cc1nnc2ccc(C(=O)N3CC[C@H]4OCC[N@@H+](C)[C@@H]4C3)cn12 ZINC000284320296 279235032 /nfs/dbraw/zinc/23/50/32/279235032.db2.gz BCSVDKMYWVDIGY-ZIAGYGMSSA-N 1 2 315.377 0.583 10 0 DCAELO Cc1nnc2ccc(C(=O)N3CC[C@H]4OCC[N@H+](C)[C@@H]4C3)cn12 ZINC000284320296 279235036 /nfs/dbraw/zinc/23/50/36/279235036.db2.gz BCSVDKMYWVDIGY-ZIAGYGMSSA-N 1 2 315.377 0.583 10 0 DCAELO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1nnc2n1CCCC2 ZINC000173625331 279587193 /nfs/dbraw/zinc/58/71/93/279587193.db2.gz GZQLLXAWINXNMK-GHMZBOCLSA-N 1 2 322.413 0.888 10 0 DCAELO O=C(N[C@@H]1C[C@@H]2OCCC[C@@H]12)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000251860153 279933432 /nfs/dbraw/zinc/93/34/32/279933432.db2.gz ODOAOZRABYXHPR-BARDWOONSA-N 1 2 309.410 0.670 10 0 DCAELO O=C(c1cccc2ncnn21)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000548887151 288184906 /nfs/dbraw/zinc/18/49/06/288184906.db2.gz VWPABDQWCUVFKM-CYBMUJFWSA-N 1 2 308.345 0.911 10 0 DCAELO COc1ncc(C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)cc1Cl ZINC000555833401 288363504 /nfs/dbraw/zinc/36/35/04/288363504.db2.gz DAHCFZLNTOZQBY-CQSZACIVSA-N 1 2 324.768 0.918 10 0 DCAELO COc1ncc(C[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)cc1Cl ZINC000555833401 288363505 /nfs/dbraw/zinc/36/35/05/288363505.db2.gz DAHCFZLNTOZQBY-CQSZACIVSA-N 1 2 324.768 0.918 10 0 DCAELO C[C@H](O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000557384372 288418574 /nfs/dbraw/zinc/41/85/74/288418574.db2.gz IZALRULIHYJVHW-RYUDHWBXSA-N 1 2 316.361 0.892 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@H]3CCCc4c[nH]nc43)C[C@@H]21 ZINC000285532475 290082164 /nfs/dbraw/zinc/08/21/64/290082164.db2.gz NSYGEMAVVPSXES-MELADBBJSA-N 1 2 319.409 0.902 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@H]3CCCc4c[nH]nc43)C[C@@H]21 ZINC000285532475 290082167 /nfs/dbraw/zinc/08/21/67/290082167.db2.gz NSYGEMAVVPSXES-MELADBBJSA-N 1 2 319.409 0.902 10 0 DCAELO Cn1c2cccc(C(=O)N3C[C@@H]4OCC[N@H+](C)[C@H]4C3)c2oc1=O ZINC000128935420 294183504 /nfs/dbraw/zinc/18/35/04/294183504.db2.gz BYFRBQCQWHVMBN-STQMWFEESA-N 1 2 317.345 0.287 10 0 DCAELO Cn1c2cccc(C(=O)N3C[C@@H]4OCC[N@@H+](C)[C@H]4C3)c2oc1=O ZINC000128935420 294183509 /nfs/dbraw/zinc/18/35/09/294183509.db2.gz BYFRBQCQWHVMBN-STQMWFEESA-N 1 2 317.345 0.287 10 0 DCAELO C[C@H](CNC(=O)N1C[C@H]2CCC[C@@H](C1)C2O)[NH+]1CCOCC1 ZINC000172121252 298721941 /nfs/dbraw/zinc/72/19/41/298721941.db2.gz SYSOQKIMLZSTSP-JKXDFHQYSA-N 1 2 311.426 0.510 10 0 DCAELO C[C@H](C[S@](C)=O)NC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000248508956 298906697 /nfs/dbraw/zinc/90/66/97/298906697.db2.gz YMWLLWLHYYHZNX-WPGAZNDASA-N 1 2 317.455 0.116 10 0 DCAELO C[C@@H]1[C@H](C)OCCN1C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000582539830 337106770 /nfs/dbraw/zinc/10/67/70/337106770.db2.gz FIYXXMAUYHCASU-MNOVXSKESA-N 1 2 302.334 0.909 10 0 DCAELO COc1ccccc1C(=O)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000187304189 533960863 /nfs/dbraw/zinc/96/08/63/533960863.db2.gz JDCQDHOPTBOXPC-GFCCVEGCSA-N 1 2 306.362 0.403 10 0 DCAELO COc1ccccc1C(=O)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000187304189 533960871 /nfs/dbraw/zinc/96/08/71/533960871.db2.gz JDCQDHOPTBOXPC-GFCCVEGCSA-N 1 2 306.362 0.403 10 0 DCAELO C[C@H](O)C1CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000172576179 534049524 /nfs/dbraw/zinc/04/95/24/534049524.db2.gz YHXSTTFRCCEFHP-ZDUSSCGKSA-N 1 2 313.442 0.900 10 0 DCAELO C[C@H](O)C1CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000172576179 534049527 /nfs/dbraw/zinc/04/95/27/534049527.db2.gz YHXSTTFRCCEFHP-ZDUSSCGKSA-N 1 2 313.442 0.900 10 0 DCAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@H]1CC(=O)N(C)C1)C2 ZINC000267505445 519869044 /nfs/dbraw/zinc/86/90/44/519869044.db2.gz OGGISCJQPBJDPJ-NSHDSACASA-N 1 2 319.409 0.842 10 0 DCAELO COC[C@@H](O)CCNC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000131517092 522386044 /nfs/dbraw/zinc/38/60/44/522386044.db2.gz AXSGUWIUGJXMIY-ZDUSSCGKSA-N 1 2 319.365 0.464 10 0 DCAELO C[S@](=O)CCC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000154840806 525381917 /nfs/dbraw/zinc/38/19/17/525381917.db2.gz ZCCDQWINAXMWSI-RNODOKPDSA-N 1 2 320.480 0.079 10 0 DCAELO C[C@@H]1OCC[C@H]1S(=O)(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000188231778 525593867 /nfs/dbraw/zinc/59/38/67/525593867.db2.gz SYTRLMNEIKDMNB-GMXVVIOVSA-N 1 2 302.396 0.979 10 0 DCAELO O=C(Cc1cccc(Cl)c1)NC[C@H](O)C[NH+]1CCOCC1 ZINC000128060108 527259591 /nfs/dbraw/zinc/25/95/91/527259591.db2.gz TXVASHRBUBJASJ-AWEZNQCLSA-N 1 2 312.797 0.692 10 0 DCAELO CC(C)OCC[NH+]1CCN(S(=O)(=O)[C@@H]2CCO[C@@H]2C)CC1 ZINC000190204574 527962411 /nfs/dbraw/zinc/96/24/11/527962411.db2.gz DAKNXQXCQQVXEP-ZIAGYGMSSA-N 1 2 320.455 0.536 10 0 DCAELO CC1(C)C[N@H+](CCNC(=O)NCc2cc(C(N)=O)co2)CCO1 ZINC000186747834 529118687 /nfs/dbraw/zinc/11/86/87/529118687.db2.gz UUTRXAQQFNHZNN-UHFFFAOYSA-N 1 2 324.381 0.289 10 0 DCAELO CC1(C)C[N@@H+](CCNC(=O)NCc2cc(C(N)=O)co2)CCO1 ZINC000186747834 529118688 /nfs/dbraw/zinc/11/86/88/529118688.db2.gz UUTRXAQQFNHZNN-UHFFFAOYSA-N 1 2 324.381 0.289 10 0 DCAELO C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000024229907 545643285 /nfs/dbraw/zinc/64/32/85/545643285.db2.gz NBTFYAHJZSETFX-HLTSFMKQSA-N 1 2 311.304 0.872 10 0 DCAELO COc1ccccc1OCC(=O)N(C)C[C@H]1C[N@H+](C)CCO1 ZINC000074774726 545671484 /nfs/dbraw/zinc/67/14/84/545671484.db2.gz KRUYEGRXWVFSOD-CYBMUJFWSA-N 1 2 308.378 0.863 10 0 DCAELO O=C(CCCc1ccccn1)NC[C@H](O)C[NH+]1CCOCC1 ZINC000128063929 545779451 /nfs/dbraw/zinc/77/94/51/545779451.db2.gz CNVZUMNQXLIKPH-HNNXBMFYSA-N 1 2 307.394 0.214 10 0 DCAELO CNC(=O)[C@H]1CCCN1C(=O)NCCCNc1cccc[nH+]1 ZINC000156071886 545846035 /nfs/dbraw/zinc/84/60/35/545846035.db2.gz KBBWTRXFFCQVLT-GFCCVEGCSA-N 1 2 305.382 0.804 10 0 DCAELO COc1ccc([C@@H](C)[NH2+]Cc2nc(N)nc(N)n2)cc1OC ZINC000180861163 545902421 /nfs/dbraw/zinc/90/24/21/545902421.db2.gz FWPHDSHMXQBAFO-MRVPVSSYSA-N 1 2 304.354 0.904 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)CC[C@H]2CCCO2)C[C@@H]1C ZINC000246087624 545963147 /nfs/dbraw/zinc/96/31/47/545963147.db2.gz IZMQIHYXFWPKKV-MELADBBJSA-N 1 2 320.455 0.272 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)CC[C@H]2CCCO2)C[C@@H]1C ZINC000246087624 545963153 /nfs/dbraw/zinc/96/31/53/545963153.db2.gz IZMQIHYXFWPKKV-MELADBBJSA-N 1 2 320.455 0.272 10 0 DCAELO O=C(c1cn2ccccc2n1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000329756611 546054968 /nfs/dbraw/zinc/05/49/68/546054968.db2.gz YTBBDHMVDOBQOM-ZDUSSCGKSA-N 1 2 300.362 0.881 10 0 DCAELO CC(C)Cn1ncnc1C[N@@H+]1CC[C@](O)(Cn2ccnn2)C1 ZINC000671550802 547244614 /nfs/dbraw/zinc/24/46/14/547244614.db2.gz HIVPDIABJQHHBH-CQSZACIVSA-N 1 2 305.386 0.163 10 0 DCAELO CC(C)Cn1ncnc1C[N@H+]1CC[C@](O)(Cn2ccnn2)C1 ZINC000671550802 547244618 /nfs/dbraw/zinc/24/46/18/547244618.db2.gz HIVPDIABJQHHBH-CQSZACIVSA-N 1 2 305.386 0.163 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNc2nc(Cl)ccc2S(N)(=O)=O)C1 ZINC000892139525 658218968 /nfs/dbraw/zinc/21/89/68/658218968.db2.gz BCPGDPAEIHIDLK-QMMMGPOBSA-N 1 2 320.802 0.125 10 0 DCAELO C[N@H+]1CCO[C@@H](CNc2nc(Cl)ccc2S(N)(=O)=O)C1 ZINC000892139525 658218973 /nfs/dbraw/zinc/21/89/73/658218973.db2.gz BCPGDPAEIHIDLK-QMMMGPOBSA-N 1 2 320.802 0.125 10 0 DCAELO COC(C[NH+]1CCN([C@@H](C)C(=O)NC2CCCC2)CC1)OC ZINC000160911871 658711747 /nfs/dbraw/zinc/71/17/47/658711747.db2.gz SOBOJZCSAMDFFM-ZDUSSCGKSA-N 1 2 313.442 0.670 10 0 DCAELO O=C1[C@H]([N@@H+]2CCO[C@@]3(CCCOC3)C2)CCN1C1CCOCC1 ZINC000329063919 659808795 /nfs/dbraw/zinc/80/87/95/659808795.db2.gz KKCUPLSZGPVHDZ-WBVHZDCISA-N 1 2 324.421 0.648 10 0 DCAELO O=C1[C@H]([N@H+]2CCO[C@@]3(CCCOC3)C2)CCN1C1CCOCC1 ZINC000329063919 659808801 /nfs/dbraw/zinc/80/88/01/659808801.db2.gz KKCUPLSZGPVHDZ-WBVHZDCISA-N 1 2 324.421 0.648 10 0 DCAELO CC(=O)N1CSC[C@@H]1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000728282711 662374320 /nfs/dbraw/zinc/37/43/20/662374320.db2.gz SKRIKYKVECUMEW-GFCCVEGCSA-N 1 2 315.439 0.135 10 0 DCAELO CC(=O)N1CSC[C@@H]1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000728282711 662374322 /nfs/dbraw/zinc/37/43/22/662374322.db2.gz SKRIKYKVECUMEW-GFCCVEGCSA-N 1 2 315.439 0.135 10 0 DCAELO O=C(N[C@@H]1CCCN(c2ncccn2)C1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263086868 662627200 /nfs/dbraw/zinc/62/72/00/662627200.db2.gz YBJWEQZEBPTAQK-GHMZBOCLSA-N 1 2 311.336 0.559 10 0 DCAELO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ncn(C)c2Cl)C1 ZINC000040691961 663043052 /nfs/dbraw/zinc/04/30/52/663043052.db2.gz NRUHERDFPPPUDI-SECBINFHSA-N 1 2 306.819 0.836 10 0 DCAELO CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ncn(C)c2Cl)C1 ZINC000040691961 663043053 /nfs/dbraw/zinc/04/30/53/663043053.db2.gz NRUHERDFPPPUDI-SECBINFHSA-N 1 2 306.819 0.836 10 0 DCAELO CCOC(=O)c1cn(CN2CC[C@H]([NH+]3CCOCC3)C2)nc1C ZINC000172962409 664626232 /nfs/dbraw/zinc/62/62/32/664626232.db2.gz FLXFVCRLBYKCPM-AWEZNQCLSA-N 1 2 322.409 0.732 10 0 DCAELO C[C@H](C(=O)NCCC1SCCS1)N1CC[NH2+]CC1=O ZINC000705736032 667370252 /nfs/dbraw/zinc/37/02/52/667370252.db2.gz JRWFYKOWNAMPQW-SECBINFHSA-N 1 2 303.453 0.119 10 0 DCAELO COC(=O)CCCS(=O)(=O)N[C@@H]1CCC[C@@H]1n1cc[nH+]c1 ZINC000049062776 669945295 /nfs/dbraw/zinc/94/52/95/669945295.db2.gz VMICNSZRTMMQEE-NEPJUHHUSA-N 1 2 315.395 0.849 10 0 DCAELO Cn1cc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)c(Br)n1 ZINC000714082315 670177696 /nfs/dbraw/zinc/17/76/96/670177696.db2.gz NZWMEKASSGZKKA-VHSXEESVSA-N 1 2 304.188 0.358 10 0 DCAELO Cn1cc(C[N@H+]2CC[C@@H](O)[C@H](CO)C2)c(Br)n1 ZINC000714082315 670177698 /nfs/dbraw/zinc/17/76/98/670177698.db2.gz NZWMEKASSGZKKA-VHSXEESVSA-N 1 2 304.188 0.358 10 0 DCAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)Nc1ccc(Cl)nc1 ZINC000194769456 670456197 /nfs/dbraw/zinc/45/61/97/670456197.db2.gz VDUFYJWEOXBDPK-LLVKDONJSA-N 1 2 314.773 0.550 10 0 DCAELO CS(=O)(=O)N[C@@H]1CC[N@H+](C[C@H](O)c2ccc(F)c(F)c2)C1 ZINC000116892084 671136982 /nfs/dbraw/zinc/13/69/82/671136982.db2.gz QNBSDCMRYVAVCC-MFKMUULPSA-N 1 2 320.361 0.622 10 0 DCAELO CS(=O)(=O)N[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(F)c(F)c2)C1 ZINC000116892084 671136985 /nfs/dbraw/zinc/13/69/85/671136985.db2.gz QNBSDCMRYVAVCC-MFKMUULPSA-N 1 2 320.361 0.622 10 0 DCAELO Cn1c[nH+]cc1CCC(=O)NCCNC(=O)c1ccccc1O ZINC000189886054 1187954129 /nfs/dbraw/zinc/95/41/29/1187954129.db2.gz VUWKNRIWGKWRRN-UHFFFAOYSA-N 1 2 316.361 0.605 10 0 DCAELO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)CC2=CCCCC2)CCO1 ZINC000276169906 529851990 /nfs/dbraw/zinc/85/19/90/529851990.db2.gz BDEMEQBTELDDRP-CQSZACIVSA-N 1 2 309.410 0.521 10 0 DCAELO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)CC2=CCCCC2)CCO1 ZINC000276169906 529851993 /nfs/dbraw/zinc/85/19/93/529851993.db2.gz BDEMEQBTELDDRP-CQSZACIVSA-N 1 2 309.410 0.521 10 0 DCAELO CNC(=O)NCC(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000275646281 529884448 /nfs/dbraw/zinc/88/44/48/529884448.db2.gz NXMKDODAMNOPSW-NSHDSACASA-N 1 2 321.381 0.056 10 0 DCAELO Cc1nc(Cl)ccc1S(=O)(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000286824033 219183749 /nfs/dbraw/zinc/18/37/49/219183749.db2.gz JCMFNCZLEURZEF-SNVBAGLBSA-N 1 2 319.814 0.652 10 0 DCAELO Cc1nc(Cl)ccc1S(=O)(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000286824033 219183752 /nfs/dbraw/zinc/18/37/52/219183752.db2.gz JCMFNCZLEURZEF-SNVBAGLBSA-N 1 2 319.814 0.652 10 0 DCAELO CCOC(=O)c1nnc2nc(SC)nn2c1/C=C/[NH+](C)C ZINC000072452345 191171328 /nfs/dbraw/zinc/17/13/28/191171328.db2.gz CRCPSUKTAYLWCX-VOTSOKGWSA-N 1 2 308.367 0.950 10 0 DCAELO Cc1c(F)cccc1NC(=O)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000072610243 191201166 /nfs/dbraw/zinc/20/11/66/191201166.db2.gz ZXPPNPYTKMHWFK-NSHDSACASA-N 1 2 323.368 0.910 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@H](C)COC)nc[nH+]1 ZINC000173428126 198213410 /nfs/dbraw/zinc/21/34/10/198213410.db2.gz MJXCJWHRJDMTET-VXGBXAGGSA-N 1 2 307.398 0.886 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@H](C)COC)[nH+]cn1 ZINC000173428126 198213412 /nfs/dbraw/zinc/21/34/12/198213412.db2.gz MJXCJWHRJDMTET-VXGBXAGGSA-N 1 2 307.398 0.886 10 0 DCAELO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2)C[C@H]1[NH+]1CCOCC1 ZINC000173958172 198272671 /nfs/dbraw/zinc/27/26/71/198272671.db2.gz HBKOWKQFIFQFNU-UKRRQHHQSA-N 1 2 317.389 0.804 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CN(C(=O)[C@H]3CCO[C@@H]3c3cccnc3)C[C@H]21 ZINC000330067085 283009325 /nfs/dbraw/zinc/00/93/25/283009325.db2.gz UDGDQZRBVWQDOK-ZJIFWQFVSA-N 1 2 317.389 0.701 10 0 DCAELO C[N@H+]1CCO[C@@H]2CN(C(=O)[C@H]3CCO[C@@H]3c3cccnc3)C[C@H]21 ZINC000330067085 283009327 /nfs/dbraw/zinc/00/93/27/283009327.db2.gz UDGDQZRBVWQDOK-ZJIFWQFVSA-N 1 2 317.389 0.701 10 0 DCAELO CC(C)c1cc(C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)no1 ZINC000120150731 535365112 /nfs/dbraw/zinc/36/51/12/535365112.db2.gz JNYOSFKUFCEIPC-OAHLLOKOSA-N 1 2 311.382 0.611 10 0 DCAELO CS[C@@H](C(=O)NC[C@@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC000179479185 199043128 /nfs/dbraw/zinc/04/31/28/199043128.db2.gz RJFHHZPDAGCGFV-HUUCEWRRSA-N 1 2 324.446 0.900 10 0 DCAELO C[C@@H]1CN(C(=O)C(=O)Nc2cccnc2)C[C@@H]1[NH+]1CCOCC1 ZINC000180255366 199137396 /nfs/dbraw/zinc/13/73/96/199137396.db2.gz WOIHLYWNEMMRII-OCCSQVGLSA-N 1 2 318.377 0.199 10 0 DCAELO Cc1ncc(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c(C)n1 ZINC000180485347 199165348 /nfs/dbraw/zinc/16/53/48/199165348.db2.gz KIJUQVONAQUQSP-ABAIWWIYSA-N 1 2 304.394 0.886 10 0 DCAELO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+](C)Cc1cnccn1 ZINC000177238020 237210850 /nfs/dbraw/zinc/21/08/50/237210850.db2.gz IBEACTMLEYEYBI-LLVKDONJSA-N 1 2 305.382 0.034 10 0 DCAELO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+](C)Cc1cnccn1 ZINC000177238020 237210860 /nfs/dbraw/zinc/21/08/60/237210860.db2.gz IBEACTMLEYEYBI-LLVKDONJSA-N 1 2 305.382 0.034 10 0 DCAELO CN(C)c1[nH+]cccc1CNC(=O)N1CCC[C@H](OCCO)C1 ZINC000187396138 200106759 /nfs/dbraw/zinc/10/67/59/200106759.db2.gz HFDPWSLURGKNCM-AWEZNQCLSA-N 1 2 322.409 0.831 10 0 DCAELO C[C@H]1CN(C(=O)C(=O)c2ccc3c(c2)CCC3)CC[N@@H+]1CCO ZINC000187301064 237346873 /nfs/dbraw/zinc/34/68/73/237346873.db2.gz VJVKSGLKYNGRQM-ZDUSSCGKSA-N 1 2 316.401 0.883 10 0 DCAELO C[C@H]1CN(C(=O)C(=O)c2ccc3c(c2)CCC3)CC[N@H+]1CCO ZINC000187301064 237346884 /nfs/dbraw/zinc/34/68/84/237346884.db2.gz VJVKSGLKYNGRQM-ZDUSSCGKSA-N 1 2 316.401 0.883 10 0 DCAELO NC(=O)c1cc(Cl)ccc1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000153537357 291207296 /nfs/dbraw/zinc/20/72/96/291207296.db2.gz RPWVDZKTSNUJIK-NSHDSACASA-N 1 2 314.769 0.511 10 0 DCAELO CCCNC(=O)NC(=O)C[N@@H+]1CCN(CC(F)F)[C@H](CC)C1 ZINC000153708747 291208216 /nfs/dbraw/zinc/20/82/16/291208216.db2.gz TVIHGCWKEJGLRZ-LLVKDONJSA-N 1 2 320.384 0.884 10 0 DCAELO CCCNC(=O)NC(=O)C[N@H+]1CCN(CC(F)F)[C@H](CC)C1 ZINC000153708747 291208217 /nfs/dbraw/zinc/20/82/17/291208217.db2.gz TVIHGCWKEJGLRZ-LLVKDONJSA-N 1 2 320.384 0.884 10 0 DCAELO O=C(NC1CC1)c1noc([C@@H]2CCC[N@@H+]2CCn2cccn2)n1 ZINC000328625893 291259591 /nfs/dbraw/zinc/25/95/91/291259591.db2.gz DQSXCJOYZSCOQH-LBPRGKRZSA-N 1 2 316.365 0.995 10 0 DCAELO O=C(NC1CC1)c1noc([C@@H]2CCC[N@H+]2CCn2cccn2)n1 ZINC000328625893 291259596 /nfs/dbraw/zinc/25/95/96/291259596.db2.gz DQSXCJOYZSCOQH-LBPRGKRZSA-N 1 2 316.365 0.995 10 0 DCAELO CS(=O)(=O)NCCN1CCC[C@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000328651131 291259978 /nfs/dbraw/zinc/25/99/78/291259978.db2.gz VWGZTRHOQDWCKF-ZDUSSCGKSA-N 1 2 312.439 0.975 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(Br)nc2)C1 ZINC000091667870 193087519 /nfs/dbraw/zinc/08/75/19/193087519.db2.gz MFWCAYJHTPBLRO-SNVBAGLBSA-N 1 2 314.183 0.905 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)c2ccc(Br)nc2)C1 ZINC000091667870 193087520 /nfs/dbraw/zinc/08/75/20/193087520.db2.gz MFWCAYJHTPBLRO-SNVBAGLBSA-N 1 2 314.183 0.905 10 0 DCAELO Cc1noc([C@H]2C[C@@H](O)C[N@@H+]2C[C@H](O)COc2ccccc2)n1 ZINC000275267814 212235257 /nfs/dbraw/zinc/23/52/57/212235257.db2.gz IWHCRGMDSZQQPX-VNHYZAJKSA-N 1 2 319.361 0.926 10 0 DCAELO Cc1noc([C@H]2C[C@@H](O)C[N@H+]2C[C@H](O)COc2ccccc2)n1 ZINC000275267814 212235260 /nfs/dbraw/zinc/23/52/60/212235260.db2.gz IWHCRGMDSZQQPX-VNHYZAJKSA-N 1 2 319.361 0.926 10 0 DCAELO Cc1[nH+]c2cc(NC(=O)C(=O)N(C)CCCO)ccc2n1C ZINC000568711273 291442081 /nfs/dbraw/zinc/44/20/81/291442081.db2.gz YTWLMPIIADGZJR-UHFFFAOYSA-N 1 2 304.350 0.661 10 0 DCAELO Cc1nnc2ccc(-c3nc([C@@H]4C[NH+]5CCN4CC5)no3)cn12 ZINC000273983544 211240894 /nfs/dbraw/zinc/24/08/94/211240894.db2.gz LCEOVOHTWXNCKQ-LBPRGKRZSA-N 1 2 311.349 0.760 10 0 DCAELO CNC(=O)c1cccc(CNC(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000104797099 194042385 /nfs/dbraw/zinc/04/23/85/194042385.db2.gz SUWPNFIQGPOCRK-AWEZNQCLSA-N 1 2 320.393 0.176 10 0 DCAELO CNC(=O)c1cccc(CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000104797099 194042386 /nfs/dbraw/zinc/04/23/86/194042386.db2.gz SUWPNFIQGPOCRK-AWEZNQCLSA-N 1 2 320.393 0.176 10 0 DCAELO COCCCNC(=O)[C@H](C)[N@@H+]1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000105892281 194160493 /nfs/dbraw/zinc/16/04/93/194160493.db2.gz WUHYLIVYGHDCFV-LSDHHAIUSA-N 1 2 324.425 0.434 10 0 DCAELO COCCCNC(=O)[C@H](C)[N@H+]1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000105892281 194160496 /nfs/dbraw/zinc/16/04/96/194160496.db2.gz WUHYLIVYGHDCFV-LSDHHAIUSA-N 1 2 324.425 0.434 10 0 DCAELO O=C(c1cnn2c1CCCC2)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000127559116 296293145 /nfs/dbraw/zinc/29/31/45/296293145.db2.gz KKCOQVKCVMKOBM-CYBMUJFWSA-N 1 2 304.394 0.766 10 0 DCAELO Cc1nc(C2CC2)oc1C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000273772883 211045094 /nfs/dbraw/zinc/04/50/94/211045094.db2.gz WDCFJTMUWVZKGJ-CYBMUJFWSA-N 1 2 323.393 0.626 10 0 DCAELO C[C@@H](NC(=O)NCc1cc(C(N)=O)co1)[C@@H](C)[NH+]1CCOCC1 ZINC000187033220 533181857 /nfs/dbraw/zinc/18/18/57/533181857.db2.gz DBDKAJZEXHXXKZ-GHMZBOCLSA-N 1 2 324.381 0.287 10 0 DCAELO CN(Cc1ccccn1)C(=O)[C@@H]1COC2(C[NH+](C)C2)CN1C ZINC000248151600 257108607 /nfs/dbraw/zinc/10/86/07/257108607.db2.gz XPWUOGUHLQUIHU-AWEZNQCLSA-N 1 2 304.394 0.055 10 0 DCAELO O=C([C@@H]1CN(Cc2ccoc2)Cc2c[nH+]cn21)N1CCOCC1 ZINC000247804951 257118273 /nfs/dbraw/zinc/11/82/73/257118273.db2.gz AEBSIFZEQYMTLG-HNNXBMFYSA-N 1 2 316.361 0.892 10 0 DCAELO CCO[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC000275526148 130330069 /nfs/dbraw/zinc/33/00/69/130330069.db2.gz BVNIUYKEFBJTPU-MGPQQGTHSA-N 1 2 304.394 0.934 10 0 DCAELO CCO[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000275526148 130330074 /nfs/dbraw/zinc/33/00/74/130330074.db2.gz BVNIUYKEFBJTPU-MGPQQGTHSA-N 1 2 304.394 0.934 10 0 DCAELO C[C@@H]1C[C@@H](NC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)CCO1 ZINC000275643967 130353072 /nfs/dbraw/zinc/35/30/72/130353072.db2.gz NVWLCRAKZZUNEG-HZSPNIEDSA-N 1 2 321.425 0.986 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccc(NC(N)=O)c3)C[C@H]21 ZINC000284230570 131061503 /nfs/dbraw/zinc/06/15/03/131061503.db2.gz VSMQUKGWIDYXHH-KGLIPLIRSA-N 1 2 318.377 0.722 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)c3cccc(NC(N)=O)c3)C[C@H]21 ZINC000284230570 131061505 /nfs/dbraw/zinc/06/15/05/131061505.db2.gz VSMQUKGWIDYXHH-KGLIPLIRSA-N 1 2 318.377 0.722 10 0 DCAELO Cc1cc(C)c(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)c(=O)[nH]1 ZINC000284530787 131089770 /nfs/dbraw/zinc/08/97/70/131089770.db2.gz PBDZHBSBQMJYCU-OLZOCXBDSA-N 1 2 305.378 0.949 10 0 DCAELO Cc1cc(C)c(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)c(=O)[nH]1 ZINC000284530787 131089772 /nfs/dbraw/zinc/08/97/72/131089772.db2.gz PBDZHBSBQMJYCU-OLZOCXBDSA-N 1 2 305.378 0.949 10 0 DCAELO CN1C(=O)Cc2cc(NC(=O)NC[C@@H]3C[N@H+](C)CCO3)ccc21 ZINC000194134777 395789351 /nfs/dbraw/zinc/78/93/51/395789351.db2.gz TWEVOBGRYQRKFZ-CYBMUJFWSA-N 1 2 318.377 0.658 10 0 DCAELO CN1C(=O)Cc2cc(NC(=O)NC[C@@H]3C[N@@H+](C)CCO3)ccc21 ZINC000194134777 395789352 /nfs/dbraw/zinc/78/93/52/395789352.db2.gz TWEVOBGRYQRKFZ-CYBMUJFWSA-N 1 2 318.377 0.658 10 0 DCAELO CC(=O)N[C@@H](CC(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000194633217 395802833 /nfs/dbraw/zinc/80/28/33/395802833.db2.gz WLCBRBFWYWMKJP-HOTGVXAUSA-N 1 2 319.405 0.701 10 0 DCAELO CC(=O)N[C@@H](CC(=O)NC[C@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000194633217 395802836 /nfs/dbraw/zinc/80/28/36/395802836.db2.gz WLCBRBFWYWMKJP-HOTGVXAUSA-N 1 2 319.405 0.701 10 0 DCAELO Cc1ccn(CC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c(=O)c1 ZINC000194763931 395807768 /nfs/dbraw/zinc/80/77/68/395807768.db2.gz BVBUFBULSDYLED-CQSZACIVSA-N 1 2 305.378 0.090 10 0 DCAELO CC(C)n1nnnc1C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000195049702 395814235 /nfs/dbraw/zinc/81/42/35/395814235.db2.gz MQALDILYVKUBJW-CYBMUJFWSA-N 1 2 322.413 0.325 10 0 DCAELO CC(C)n1nnnc1C[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000195049702 395814239 /nfs/dbraw/zinc/81/42/39/395814239.db2.gz MQALDILYVKUBJW-CYBMUJFWSA-N 1 2 322.413 0.325 10 0 DCAELO CC(C)n1nnnc1C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000195049680 395814315 /nfs/dbraw/zinc/81/43/15/395814315.db2.gz MQALDILYVKUBJW-ZDUSSCGKSA-N 1 2 322.413 0.325 10 0 DCAELO CC(C)n1nnnc1C[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000195049680 395814319 /nfs/dbraw/zinc/81/43/19/395814319.db2.gz MQALDILYVKUBJW-ZDUSSCGKSA-N 1 2 322.413 0.325 10 0 DCAELO CCn1cc(C2CC[NH+](Cc3nc(N)nc(N)n3)CC2)cn1 ZINC000195499906 395829733 /nfs/dbraw/zinc/82/97/33/395829733.db2.gz GPAMNUDWTFVCRC-UHFFFAOYSA-N 1 2 302.386 0.632 10 0 DCAELO CCC(C)(C)NC(=O)CN1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000198355904 395832917 /nfs/dbraw/zinc/83/29/17/395832917.db2.gz BAOSNPGPVXGVMU-ZDUSSCGKSA-N 1 2 324.469 0.576 10 0 DCAELO Cc1ccc(F)cc1NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000118115575 395860309 /nfs/dbraw/zinc/86/03/09/395860309.db2.gz QZKDCLIPPOLNDW-GFCCVEGCSA-N 1 2 309.341 0.519 10 0 DCAELO Cc1ccc(F)cc1NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000118115575 395860311 /nfs/dbraw/zinc/86/03/11/395860311.db2.gz QZKDCLIPPOLNDW-GFCCVEGCSA-N 1 2 309.341 0.519 10 0 DCAELO COC(=O)c1ncsc1S(=O)(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000234618328 395889892 /nfs/dbraw/zinc/88/98/92/395889892.db2.gz IYHUHWXFKOSLDH-QMMMGPOBSA-N 1 2 319.408 0.302 10 0 DCAELO COC(=O)c1ncsc1S(=O)(=O)NC[C@@H]1CCC[N@H+]1C ZINC000234618328 395889894 /nfs/dbraw/zinc/88/98/94/395889894.db2.gz IYHUHWXFKOSLDH-QMMMGPOBSA-N 1 2 319.408 0.302 10 0 DCAELO CC1(C)CN(C(=O)NCCn2cc[nH+]c2)CCS1(=O)=O ZINC000123069646 395891800 /nfs/dbraw/zinc/89/18/00/395891800.db2.gz QQKMVVVDYIEWOZ-UHFFFAOYSA-N 1 2 300.384 0.102 10 0 DCAELO Cn1nnc2cc(C(=O)NCc3cn4c([nH+]3)CCCC4)cnc21 ZINC000273281842 395911507 /nfs/dbraw/zinc/91/15/07/395911507.db2.gz HALQZZCVHQGTMM-UHFFFAOYSA-N 1 2 311.349 0.826 10 0 DCAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)Nc1c(F)cccc1F ZINC000119312035 395869064 /nfs/dbraw/zinc/86/90/64/395869064.db2.gz QQKMAXLBSFMFJJ-SNVBAGLBSA-N 1 2 315.320 0.779 10 0 DCAELO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@](O)(C(N)=O)C2)cc1 ZINC000276456180 395998863 /nfs/dbraw/zinc/99/88/63/395998863.db2.gz NUHQUORKTORYEJ-QLJPJBMISA-N 1 2 319.361 0.138 10 0 DCAELO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@](O)(C(N)=O)C2)cc1 ZINC000276456180 395998864 /nfs/dbraw/zinc/99/88/64/395998864.db2.gz NUHQUORKTORYEJ-QLJPJBMISA-N 1 2 319.361 0.138 10 0 DCAELO CCOCC[N@@H+]1CCN(S(=O)(=O)[C@H](C)COC)C[C@H]1CC ZINC000246664665 395955102 /nfs/dbraw/zinc/95/51/02/395955102.db2.gz HDWKYXUPWOTPTB-ZIAGYGMSSA-N 1 2 322.471 0.784 10 0 DCAELO CCOCC[N@H+]1CCN(S(=O)(=O)[C@H](C)COC)C[C@H]1CC ZINC000246664665 395955107 /nfs/dbraw/zinc/95/51/07/395955107.db2.gz HDWKYXUPWOTPTB-ZIAGYGMSSA-N 1 2 322.471 0.784 10 0 DCAELO C[C@@H]1CCN(Cc2nc(N)nc(N(C)C)n2)C[C@H]1n1cc[nH+]c1 ZINC000247779300 395978771 /nfs/dbraw/zinc/97/87/71/395978771.db2.gz XHNMYSNMNCDQOS-VXGBXAGGSA-N 1 2 316.413 0.799 10 0 DCAELO C[C@]1(C(N)=O)CCCC[N@@H+]1CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000248572511 395989948 /nfs/dbraw/zinc/98/99/48/395989948.db2.gz GLICCVHSGHTYJZ-JJRVBVJISA-N 1 2 323.437 0.886 10 0 DCAELO C[C@]1(C(N)=O)CCCC[N@H+]1CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000248572511 395989951 /nfs/dbraw/zinc/98/99/51/395989951.db2.gz GLICCVHSGHTYJZ-JJRVBVJISA-N 1 2 323.437 0.886 10 0 DCAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)[C@H](CO)SC ZINC000248621804 395991065 /nfs/dbraw/zinc/99/10/65/395991065.db2.gz AVPCEJLWGKVMIX-XQQFMLRXSA-N 1 2 304.456 0.716 10 0 DCAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)[C@H](CO)SC ZINC000248621804 395991069 /nfs/dbraw/zinc/99/10/69/395991069.db2.gz AVPCEJLWGKVMIX-XQQFMLRXSA-N 1 2 304.456 0.716 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)Nc2cnn(CC(F)(F)F)c2)C1 ZINC000151971176 395997188 /nfs/dbraw/zinc/99/71/88/395997188.db2.gz XUDOJVREMLTHPU-SNVBAGLBSA-N 1 2 321.303 0.898 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)Nc2cnn(CC(F)(F)F)c2)C1 ZINC000151971176 395997190 /nfs/dbraw/zinc/99/71/90/395997190.db2.gz XUDOJVREMLTHPU-SNVBAGLBSA-N 1 2 321.303 0.898 10 0 DCAELO O=C(NCC[NH+]1CCOCC1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000153279926 396023083 /nfs/dbraw/zinc/02/30/83/396023083.db2.gz IFEQTCLEPAWTNX-CQSZACIVSA-N 1 2 307.398 0.979 10 0 DCAELO C[C@@H](Oc1ccccc1)C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000154119409 396031193 /nfs/dbraw/zinc/03/11/93/396031193.db2.gz FGTKTFCHBWPRFN-KGLIPLIRSA-N 1 2 308.378 0.263 10 0 DCAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1ccc(F)cc1Cl ZINC000154118247 396031214 /nfs/dbraw/zinc/03/12/14/396031214.db2.gz PGSRANHHEKFBDX-NSHDSACASA-N 1 2 316.760 0.902 10 0 DCAELO CCOc1ccc(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000154109895 396031619 /nfs/dbraw/zinc/03/16/19/396031619.db2.gz FSDIJVHHJLGKHD-CQSZACIVSA-N 1 2 308.378 0.508 10 0 DCAELO Cc1cccc(OCC(=O)NC[C@H](O)C[NH+]2CCOCC2)c1 ZINC000154124498 396032355 /nfs/dbraw/zinc/03/23/55/396032355.db2.gz CMQMEPXODBSLHZ-AWEZNQCLSA-N 1 2 308.378 0.183 10 0 DCAELO Cc1nnc(CN2CC[NH+](CC(=O)NC(C)C)CC2)n1C1CC1 ZINC000154729672 396041531 /nfs/dbraw/zinc/04/15/31/396041531.db2.gz MABQWYKRXAEYTK-UHFFFAOYSA-N 1 2 320.441 0.564 10 0 DCAELO O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCN(Cc2cscn2)CC1 ZINC000261856822 396072485 /nfs/dbraw/zinc/07/24/85/396072485.db2.gz ADSZUEPZSSKGCA-LLVKDONJSA-N 1 2 316.377 0.785 10 0 DCAELO CO[C@H](C)CS(=O)(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000249653486 396011416 /nfs/dbraw/zinc/01/14/16/396011416.db2.gz YWGARRGGYKQTSL-JHJVBQTASA-N 1 2 306.428 0.004 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CC(=O)Nc3ccccc32)C1 ZINC000250526824 396014964 /nfs/dbraw/zinc/01/49/64/396014964.db2.gz QWJJUDXEUQDNMD-AAEUAGOBSA-N 1 2 303.362 0.559 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CC(=O)Nc3ccccc32)C1 ZINC000250526824 396014967 /nfs/dbraw/zinc/01/49/67/396014967.db2.gz QWJJUDXEUQDNMD-AAEUAGOBSA-N 1 2 303.362 0.559 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)C1 ZINC000250527966 396015085 /nfs/dbraw/zinc/01/50/85/396015085.db2.gz ROXPXUKDLJQZCF-UKRRQHHQSA-N 1 2 321.352 0.766 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)C1 ZINC000250527966 396015089 /nfs/dbraw/zinc/01/50/89/396015089.db2.gz ROXPXUKDLJQZCF-UKRRQHHQSA-N 1 2 321.352 0.766 10 0 DCAELO Cn1ncc2c1nc(N1CCN(C(=O)C(C)(C)C)CC1)[nH+]c2N ZINC000278139278 396108242 /nfs/dbraw/zinc/10/82/42/396108242.db2.gz ANOFYQSYWNQIJC-UHFFFAOYSA-N 1 2 317.397 0.640 10 0 DCAELO O=S(=O)(C[C@@H]1CCCO1)NCc1cccnc1-n1cc[nH+]c1 ZINC000171417547 396117031 /nfs/dbraw/zinc/11/70/31/396117031.db2.gz VMOXOFQDIJPATL-ZDUSSCGKSA-N 1 2 322.390 0.866 10 0 DCAELO C[C@@H](CNC(=O)NCc1cccc(CO)c1)[NH+]1CCOCC1 ZINC000171620412 396120867 /nfs/dbraw/zinc/12/08/67/396120867.db2.gz QEHJZNSWUSHKTC-ZDUSSCGKSA-N 1 2 307.394 0.699 10 0 DCAELO CC(=O)NC[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(C)cc2)CCO1 ZINC000172185032 396129788 /nfs/dbraw/zinc/12/97/88/396129788.db2.gz HPFOFWMEWJCUDE-NVXWUHKLSA-N 1 2 322.405 0.572 10 0 DCAELO CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(C)cc2)CCO1 ZINC000172185032 396129789 /nfs/dbraw/zinc/12/97/89/396129789.db2.gz HPFOFWMEWJCUDE-NVXWUHKLSA-N 1 2 322.405 0.572 10 0 DCAELO C[C@H]1CN(C(=O)c2cc(N(C)C)ccn2)C[C@H]1[NH+]1CCOCC1 ZINC000173979717 396137014 /nfs/dbraw/zinc/13/70/14/396137014.db2.gz FEFAYASBNHMTBE-XJKSGUPXSA-N 1 2 318.421 0.940 10 0 DCAELO CN(C(=O)CN1CC[C@H]([NH+]2CCOCC2)C1)c1nccs1 ZINC000173949277 396137064 /nfs/dbraw/zinc/13/70/64/396137064.db2.gz VDQXGZPZXIRGPA-LBPRGKRZSA-N 1 2 310.423 0.512 10 0 DCAELO CN(C(=O)C[N@@H+]1CC[C@H](N2CCOCC2)C1)c1nccs1 ZINC000173949277 396137066 /nfs/dbraw/zinc/13/70/66/396137066.db2.gz VDQXGZPZXIRGPA-LBPRGKRZSA-N 1 2 310.423 0.512 10 0 DCAELO CN(C(=O)C[N@H+]1CC[C@H](N2CCOCC2)C1)c1nccs1 ZINC000173949277 396137069 /nfs/dbraw/zinc/13/70/69/396137069.db2.gz VDQXGZPZXIRGPA-LBPRGKRZSA-N 1 2 310.423 0.512 10 0 DCAELO C[C@H]1CN(C(=O)c2cccc(C(N)=O)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000173971081 396137098 /nfs/dbraw/zinc/13/70/98/396137098.db2.gz NNDGEMGOYKPQBU-WFASDCNBSA-N 1 2 317.389 0.578 10 0 DCAELO O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000263228096 396207494 /nfs/dbraw/zinc/20/74/94/396207494.db2.gz NBODRWNARKBHRK-MNOVXSKESA-N 1 2 300.309 0.108 10 0 DCAELO Cn1c(=O)cc(C[N@@H+]2CCO[C@@H](c3cccs3)C2)n(C)c1=O ZINC000177745737 396182299 /nfs/dbraw/zinc/18/22/99/396182299.db2.gz DBJRUHPNSVBNCR-GFCCVEGCSA-N 1 2 321.402 0.719 10 0 DCAELO Cn1c(=O)cc(C[N@H+]2CCO[C@@H](c3cccs3)C2)n(C)c1=O ZINC000177745737 396182302 /nfs/dbraw/zinc/18/23/02/396182302.db2.gz DBJRUHPNSVBNCR-GFCCVEGCSA-N 1 2 321.402 0.719 10 0 DCAELO COc1ccc([C@@H](O)CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)cc1 ZINC000262942856 396193103 /nfs/dbraw/zinc/19/31/03/396193103.db2.gz IYCWUTMSYLRXOM-RYUDHWBXSA-N 1 2 300.305 0.842 10 0 DCAELO O=C(CCNC(=O)[C@H]1CC(F)(F)C[NH2+]1)NCc1ccccc1 ZINC000262975795 396195462 /nfs/dbraw/zinc/19/54/62/396195462.db2.gz MGRMQMRCZLDIBN-GFCCVEGCSA-N 1 2 311.332 0.806 10 0 DCAELO O=C(CCNC(=O)[C@H]1CC(F)(F)C[NH2+]1)NC1CCCCC1 ZINC000263009426 396197861 /nfs/dbraw/zinc/19/78/61/396197861.db2.gz PNVVBQBNZJEWJE-LLVKDONJSA-N 1 2 303.353 0.939 10 0 DCAELO CC[C@H]1CN(c2ccccc2)CC[N@@H+]1CC(=O)NCC(=O)OC ZINC000184006811 396281006 /nfs/dbraw/zinc/28/10/06/396281006.db2.gz POWUACKEGSBEOZ-AWEZNQCLSA-N 1 2 319.405 0.876 10 0 DCAELO CC[C@H]1CN(c2ccccc2)CC[N@H+]1CC(=O)NCC(=O)OC ZINC000184006811 396281010 /nfs/dbraw/zinc/28/10/10/396281010.db2.gz POWUACKEGSBEOZ-AWEZNQCLSA-N 1 2 319.405 0.876 10 0 DCAELO Cn1cc([C@H]2C[NH2+]CCN2S(=O)(=O)c2cccs2)cn1 ZINC000181692385 396241586 /nfs/dbraw/zinc/24/15/86/396241586.db2.gz XYLKUDHGJZYCDE-LLVKDONJSA-N 1 2 312.420 0.817 10 0 DCAELO COC(=O)Cn1ncc2c1nc[nH+]c2NC[C@@H]1CCC[C@@H]1O ZINC000078497781 396245904 /nfs/dbraw/zinc/24/59/04/396245904.db2.gz RJOLQVYISIWDQE-ONGXEEELSA-N 1 2 305.338 0.572 10 0 DCAELO Cc1cc2c(cc1F)ncn(C[C@@H](O)C[NH+]1CCOCC1)c2=O ZINC000182318307 396249560 /nfs/dbraw/zinc/24/95/60/396249560.db2.gz NGBVXEGNXMEMFP-LBPRGKRZSA-N 1 2 321.352 0.537 10 0 DCAELO CC[C@@H](O)C[NH+]1CCN(C(=O)c2cccc3n[nH]nc32)CC1 ZINC000183580043 396271432 /nfs/dbraw/zinc/27/14/32/396271432.db2.gz ZPMXRBHCLCPAIE-LLVKDONJSA-N 1 2 303.366 0.487 10 0 DCAELO CC[C@@H](O)C[NH+]1CCN(C(=O)c2cccc3nn[nH]c32)CC1 ZINC000183580043 396271434 /nfs/dbraw/zinc/27/14/34/396271434.db2.gz ZPMXRBHCLCPAIE-LLVKDONJSA-N 1 2 303.366 0.487 10 0 DCAELO COc1ccc(Cl)cc1NC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000179180353 396223046 /nfs/dbraw/zinc/22/30/46/396223046.db2.gz YOUJAMPMTSFRRV-GHMZBOCLSA-N 1 2 314.769 0.715 10 0 DCAELO COc1ccc(Cl)cc1NC(=O)C[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000179180353 396223052 /nfs/dbraw/zinc/22/30/52/396223052.db2.gz YOUJAMPMTSFRRV-GHMZBOCLSA-N 1 2 314.769 0.715 10 0 DCAELO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1CO)Nc1cccc2c1N=S=N2 ZINC000179183015 396224302 /nfs/dbraw/zinc/22/43/02/396224302.db2.gz OXZGHSXXWCWRMM-BDAKNGLRSA-N 1 2 308.363 0.779 10 0 DCAELO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1CO)Nc1cccc2c1N=S=N2 ZINC000179183015 396224305 /nfs/dbraw/zinc/22/43/05/396224305.db2.gz OXZGHSXXWCWRMM-BDAKNGLRSA-N 1 2 308.363 0.779 10 0 DCAELO Cc1cnc([C@H](C)[NH2+]CC(=O)N2CCC[C@@H](C(N)=O)C2)s1 ZINC000185008504 396314187 /nfs/dbraw/zinc/31/41/87/396314187.db2.gz KXXILQQOECENCN-WDEREUQCSA-N 1 2 310.423 0.826 10 0 DCAELO COCC(=O)NC1C[NH+](C[C@H](O)COc2ccccc2C)C1 ZINC000185092748 396317666 /nfs/dbraw/zinc/31/76/66/396317666.db2.gz ZBEILNOQYAAEHB-AWEZNQCLSA-N 1 2 308.378 0.182 10 0 DCAELO O=C(NCc1cccnc1-n1cc[nH+]c1)NCC(F)(F)CO ZINC000184274218 396289442 /nfs/dbraw/zinc/28/94/42/396289442.db2.gz VXGIVVRULLVZKP-UHFFFAOYSA-N 1 2 311.292 0.694 10 0 DCAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCc1ccc(C(N)=O)o1 ZINC000184474684 396296648 /nfs/dbraw/zinc/29/66/48/396296648.db2.gz DGNNAKCGMOCTMC-GFCCVEGCSA-N 1 2 309.366 0.496 10 0 DCAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)NCc1ccc(C(N)=O)o1 ZINC000184474684 396296650 /nfs/dbraw/zinc/29/66/50/396296650.db2.gz DGNNAKCGMOCTMC-GFCCVEGCSA-N 1 2 309.366 0.496 10 0 DCAELO CC(C)C[C@H](CO)N(C)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000185389802 396326471 /nfs/dbraw/zinc/32/64/71/396326471.db2.gz SMFPANTXDKNKON-HUUCEWRRSA-N 1 2 314.474 0.671 10 0 DCAELO CNC(=O)CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000185404129 396326813 /nfs/dbraw/zinc/32/68/13/396326813.db2.gz FYNJOLOFBRXUNW-AWEZNQCLSA-N 1 2 305.378 0.312 10 0 DCAELO C[C@]1(C(N)=O)CCCC[N@@H+]1Cc1cc(=O)n2ccsc2n1 ZINC000185961157 396338542 /nfs/dbraw/zinc/33/85/42/396338542.db2.gz ZOAOFEDGCJQCHV-CQSZACIVSA-N 1 2 306.391 0.986 10 0 DCAELO C[C@]1(C(N)=O)CCCC[N@H+]1Cc1cc(=O)n2ccsc2n1 ZINC000185961157 396338544 /nfs/dbraw/zinc/33/85/44/396338544.db2.gz ZOAOFEDGCJQCHV-CQSZACIVSA-N 1 2 306.391 0.986 10 0 DCAELO CNC(=O)CC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000187792258 396374148 /nfs/dbraw/zinc/37/41/48/396374148.db2.gz VTUJLUBDGNGPEY-UHFFFAOYSA-N 1 2 300.362 0.878 10 0 DCAELO CC(=O)N1CC(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)C1 ZINC000188591352 396383704 /nfs/dbraw/zinc/38/37/04/396383704.db2.gz DHZQDNLJYLVVPA-ZDUSSCGKSA-N 1 2 304.394 0.680 10 0 DCAELO c1nc(N2CCO[C@@]3(CCCOC3)C2)cc(N2CCOCC2)[nH+]1 ZINC000286393681 396392397 /nfs/dbraw/zinc/39/23/97/396392397.db2.gz GVHIXGQWIKVPPZ-INIZCTEOSA-N 1 2 320.393 0.699 10 0 DCAELO c1nc(N2CCOCC2)cc(N2CCO[C@@]3(CCCOC3)C2)[nH+]1 ZINC000286393681 396392400 /nfs/dbraw/zinc/39/24/00/396392400.db2.gz GVHIXGQWIKVPPZ-INIZCTEOSA-N 1 2 320.393 0.699 10 0 DCAELO C[C@@H]1C(=O)NCCC[N@H+]1CC(=O)NCCOc1cccc(F)c1 ZINC000189297804 396392541 /nfs/dbraw/zinc/39/25/41/396392541.db2.gz FBLRTDUDQFVXMA-GFCCVEGCSA-N 1 2 323.368 0.531 10 0 DCAELO C[C@@H]1C(=O)NCCC[N@@H+]1CC(=O)NCCOc1cccc(F)c1 ZINC000189297804 396392545 /nfs/dbraw/zinc/39/25/45/396392545.db2.gz FBLRTDUDQFVXMA-GFCCVEGCSA-N 1 2 323.368 0.531 10 0 DCAELO CCN1CN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1=O ZINC000189771887 396398771 /nfs/dbraw/zinc/39/87/71/396398771.db2.gz GHIKEDHNICLFQE-UHFFFAOYSA-N 1 2 317.393 0.882 10 0 DCAELO O=C(Nc1ccc(Cl)cn1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000193110241 396444055 /nfs/dbraw/zinc/44/40/55/396444055.db2.gz UDFSNFDWJCHMMQ-UHFFFAOYSA-N 1 2 308.769 0.980 10 0 DCAELO CCN1CCC[N@H+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1=O ZINC000190213529 396402735 /nfs/dbraw/zinc/40/27/35/396402735.db2.gz IUZJIXHPAACRNL-LSDHHAIUSA-N 1 2 323.437 0.711 10 0 DCAELO CCN1CCC[N@@H+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1=O ZINC000190213529 396402739 /nfs/dbraw/zinc/40/27/39/396402739.db2.gz IUZJIXHPAACRNL-LSDHHAIUSA-N 1 2 323.437 0.711 10 0 DCAELO CCc1nnc(C2CC[NH+]([C@H](C)C(=O)NC(=O)NC)CC2)[nH]1 ZINC000190670941 396409617 /nfs/dbraw/zinc/40/96/17/396409617.db2.gz AXKDMUJQPDKYKF-SECBINFHSA-N 1 2 308.386 0.391 10 0 DCAELO CCc1n[nH]c(C2CC[NH+]([C@H](C)C(=O)NC(=O)NC)CC2)n1 ZINC000190670941 396409619 /nfs/dbraw/zinc/40/96/19/396409619.db2.gz AXKDMUJQPDKYKF-SECBINFHSA-N 1 2 308.386 0.391 10 0 DCAELO CCc1nc(C2CC[NH+]([C@H](C)C(=O)NC(=O)NC)CC2)n[nH]1 ZINC000190670941 396409620 /nfs/dbraw/zinc/40/96/20/396409620.db2.gz AXKDMUJQPDKYKF-SECBINFHSA-N 1 2 308.386 0.391 10 0 DCAELO C[C@H]1C(=O)NCCCN1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000191413387 396418693 /nfs/dbraw/zinc/41/86/93/396418693.db2.gz VDXYULSTCZUFLD-LBPRGKRZSA-N 1 2 312.414 0.017 10 0 DCAELO C[C@H]1C(=O)NCCCN1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000191413387 396418695 /nfs/dbraw/zinc/41/86/95/396418695.db2.gz VDXYULSTCZUFLD-LBPRGKRZSA-N 1 2 312.414 0.017 10 0 DCAELO C[C@@H]1C(=O)NCCCN1C(=O)NCCCNc1cccc[nH+]1 ZINC000191406820 396418792 /nfs/dbraw/zinc/41/87/92/396418792.db2.gz UJTHPDCXDVITTA-GFCCVEGCSA-N 1 2 305.382 0.804 10 0 DCAELO C[C@@H]1C(=O)NCCCN1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000191518090 396420707 /nfs/dbraw/zinc/42/07/07/396420707.db2.gz IZMPFMCBGOSQTM-CHWSQXEVSA-N 1 2 317.393 0.580 10 0 DCAELO C[C@H]1C(=O)NCCCN1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000191518129 396420908 /nfs/dbraw/zinc/42/09/08/396420908.db2.gz IZMPFMCBGOSQTM-STQMWFEESA-N 1 2 317.393 0.580 10 0 DCAELO Cc1ccc(CS(=O)(=O)NC[C@@H]2C[N@H+](C)CCO2)c(F)c1 ZINC000192018965 396428412 /nfs/dbraw/zinc/42/84/12/396428412.db2.gz NLVPSGUBUQHZBG-CYBMUJFWSA-N 1 2 316.398 0.884 10 0 DCAELO Cc1ccc(CS(=O)(=O)NC[C@@H]2C[N@@H+](C)CCO2)c(F)c1 ZINC000192018965 396428416 /nfs/dbraw/zinc/42/84/16/396428416.db2.gz NLVPSGUBUQHZBG-CYBMUJFWSA-N 1 2 316.398 0.884 10 0 DCAELO Cc1cccc(NC(=O)C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)c1 ZINC000192652519 396433814 /nfs/dbraw/zinc/43/38/14/396433814.db2.gz XUBLPZKWGVSFTN-MRXNPFEDSA-N 1 2 316.361 0.608 10 0 DCAELO Cc1cccc(NC(=O)C[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)c1 ZINC000192652519 396433816 /nfs/dbraw/zinc/43/38/16/396433816.db2.gz XUBLPZKWGVSFTN-MRXNPFEDSA-N 1 2 316.361 0.608 10 0 DCAELO O=C1NC(=O)[C@@]2(CCC[N@H+](Cc3nc(C4CCCC4)no3)C2)N1 ZINC000192642199 396433833 /nfs/dbraw/zinc/43/38/33/396433833.db2.gz VTLMRCFWKGQTIB-HNNXBMFYSA-N 1 2 319.365 0.901 10 0 DCAELO O=C1NC(=O)[C@@]2(CCC[N@@H+](Cc3nc(C4CCCC4)no3)C2)N1 ZINC000192642199 396433835 /nfs/dbraw/zinc/43/38/35/396433835.db2.gz VTLMRCFWKGQTIB-HNNXBMFYSA-N 1 2 319.365 0.901 10 0 DCAELO CN1CCCN(C(=O)NCCCNc2cccc[nH+]2)CC1=O ZINC000188143183 396379626 /nfs/dbraw/zinc/37/96/26/396379626.db2.gz GMGNTTRRENZZNB-UHFFFAOYSA-N 1 2 305.382 0.757 10 0 DCAELO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N1CCO[C@H](CO)C1 ZINC000270113528 396461663 /nfs/dbraw/zinc/46/16/63/396461663.db2.gz ZZWCLQWMVARCNP-STQMWFEESA-N 1 2 306.366 0.063 10 0 DCAELO C[N@@H+]1CCO[C@H](C(=O)N2C[C@H](O)C[C@H]2c2cccc(F)c2)C1 ZINC000374218473 396648062 /nfs/dbraw/zinc/64/80/62/396648062.db2.gz SEJVFQCVOZREIH-ILXRZTDVSA-N 1 2 308.353 0.791 10 0 DCAELO C[N@H+]1CCO[C@H](C(=O)N2C[C@H](O)C[C@H]2c2cccc(F)c2)C1 ZINC000374218473 396648066 /nfs/dbraw/zinc/64/80/66/396648066.db2.gz SEJVFQCVOZREIH-ILXRZTDVSA-N 1 2 308.353 0.791 10 0 DCAELO CC1(C)C[NH+](CC(=O)NC[C@H](n2cncn2)C(F)(F)F)C1 ZINC000633987133 396764297 /nfs/dbraw/zinc/76/42/97/396764297.db2.gz JYWSJYPNIWAHEI-VIFPVBQESA-N 1 2 305.304 0.840 10 0 DCAELO COC(=O)[C@@H]([NH2+]C[C@H](O)COC[C@@H]1CCCO1)C(C)(C)C ZINC000610989646 396797834 /nfs/dbraw/zinc/79/78/34/396797834.db2.gz RMUNLKGFZMEAEO-RWMBFGLXSA-N 1 2 303.399 0.720 10 0 DCAELO CCc1nnc2n1CC[N@H+](C1CN(c3ncc(Cl)cn3)C1)C2 ZINC000328656016 396831270 /nfs/dbraw/zinc/83/12/70/396831270.db2.gz YZIBBSXRDFHWLK-UHFFFAOYSA-N 1 2 319.800 0.988 10 0 DCAELO CCc1nnc2n1CC[N@@H+](C1CN(c3ncc(Cl)cn3)C1)C2 ZINC000328656016 396831275 /nfs/dbraw/zinc/83/12/75/396831275.db2.gz YZIBBSXRDFHWLK-UHFFFAOYSA-N 1 2 319.800 0.988 10 0 DCAELO O=C(c1ccc(-c2nc(=O)o[nH]2)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000329488380 396845924 /nfs/dbraw/zinc/84/59/24/396845924.db2.gz ULBGJFVSRBMODL-ZDUSSCGKSA-N 1 2 314.345 0.950 10 0 DCAELO O=C(c1ccc(-c2nc(=O)o[nH]2)cc1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000329488380 396845930 /nfs/dbraw/zinc/84/59/30/396845930.db2.gz ULBGJFVSRBMODL-ZDUSSCGKSA-N 1 2 314.345 0.950 10 0 DCAELO CC(=O)NCC[N@@H+](C[C@@H](C)CO)[C@@H](C)C(=O)OC(C)(C)C ZINC000611576311 396889316 /nfs/dbraw/zinc/88/93/16/396889316.db2.gz PEACPYSXGGBBHV-NEPJUHHUSA-N 1 2 302.415 0.783 10 0 DCAELO CC(=O)NCC[N@H+](C[C@@H](C)CO)[C@@H](C)C(=O)OC(C)(C)C ZINC000611576311 396889322 /nfs/dbraw/zinc/88/93/22/396889322.db2.gz PEACPYSXGGBBHV-NEPJUHHUSA-N 1 2 302.415 0.783 10 0 DCAELO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000625735855 396990531 /nfs/dbraw/zinc/99/05/31/396990531.db2.gz PHJPSCLDYZONFV-DHGKCCLASA-N 1 2 311.426 0.644 10 0 DCAELO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000625735855 396990535 /nfs/dbraw/zinc/99/05/35/396990535.db2.gz PHJPSCLDYZONFV-DHGKCCLASA-N 1 2 311.426 0.644 10 0 DCAELO CN1CC[NH+](C[C@H]2CN(C(=O)N[C@@H]3CC3(C)C)CCO2)CC1 ZINC000601270912 397037735 /nfs/dbraw/zinc/03/77/35/397037735.db2.gz BQCNYFBCASOZFM-UONOGXRCSA-N 1 2 310.442 0.443 10 0 DCAELO Cc1cc(NC(=O)CN2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)on1 ZINC000377697081 397126828 /nfs/dbraw/zinc/12/68/28/397126828.db2.gz KBHCTIATFARDCP-CHWSQXEVSA-N 1 2 308.382 0.717 10 0 DCAELO Cc1cc(NC(=O)C[N@H+]2CC[C@@H](N3CCOCC3)[C@H]2C)on1 ZINC000377697081 397126832 /nfs/dbraw/zinc/12/68/32/397126832.db2.gz KBHCTIATFARDCP-CHWSQXEVSA-N 1 2 308.382 0.717 10 0 DCAELO Cc1cc(NC(=O)C[N@@H+]2CC[C@@H](N3CCOCC3)[C@H]2C)on1 ZINC000377697081 397126836 /nfs/dbraw/zinc/12/68/36/397126836.db2.gz KBHCTIATFARDCP-CHWSQXEVSA-N 1 2 308.382 0.717 10 0 DCAELO CC(=O)C[C@H]1COCCN1C(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000626420731 397158409 /nfs/dbraw/zinc/15/84/09/397158409.db2.gz RFFCPIXPEZGBMM-KGLIPLIRSA-N 1 2 305.378 0.960 10 0 DCAELO CC(=O)C[C@@H]1COCCN1C(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000626420733 397159797 /nfs/dbraw/zinc/15/97/97/397159797.db2.gz RFFCPIXPEZGBMM-ZIAGYGMSSA-N 1 2 305.378 0.960 10 0 DCAELO c1cnnc(N2CC[NH+](CCN3C[C@H]4CC[C@@H](C3)O4)CC2)c1 ZINC000378442395 397240229 /nfs/dbraw/zinc/24/02/29/397240229.db2.gz NAWPQBCHUQMBNO-GASCZTMLSA-N 1 2 303.410 0.462 10 0 DCAELO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cc(=O)n2nccc2[nH]1 ZINC000369042825 397431065 /nfs/dbraw/zinc/43/10/65/397431065.db2.gz XEFKMUJXNGTTDI-WBIUFABUSA-N 1 2 316.361 0.796 10 0 DCAELO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cc(=O)n2nccc2[nH]1 ZINC000369042825 397431068 /nfs/dbraw/zinc/43/10/68/397431068.db2.gz XEFKMUJXNGTTDI-WBIUFABUSA-N 1 2 316.361 0.796 10 0 DCAELO CCOC(=O)c1ncc(C[N@@H+]2C[C@H](O)C[C@]2(C)CO)s1 ZINC000602898128 397517298 /nfs/dbraw/zinc/51/72/98/397517298.db2.gz LRUXLOYIXPNGKK-NOZJJQNGSA-N 1 2 300.380 0.637 10 0 DCAELO CCOC(=O)c1ncc(C[N@H+]2C[C@H](O)C[C@]2(C)CO)s1 ZINC000602898128 397517301 /nfs/dbraw/zinc/51/73/01/397517301.db2.gz LRUXLOYIXPNGKK-NOZJJQNGSA-N 1 2 300.380 0.637 10 0 DCAELO O=C(NC[C@@H]1CCS(=O)(=O)C1)Nc1ccc2[nH+]ccn2c1 ZINC000606582432 397683982 /nfs/dbraw/zinc/68/39/82/397683982.db2.gz OPKHQJRHPGSTHL-JTQLQIEISA-N 1 2 308.363 0.891 10 0 DCAELO COc1cc(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)cc(C)n1 ZINC000408022678 286198157 /nfs/dbraw/zinc/19/81/57/286198157.db2.gz NDWJQHWJPCIPAA-ZIAGYGMSSA-N 1 2 305.378 0.944 10 0 DCAELO COc1cc(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)cc(C)n1 ZINC000408022678 286198158 /nfs/dbraw/zinc/19/81/58/286198158.db2.gz NDWJQHWJPCIPAA-ZIAGYGMSSA-N 1 2 305.378 0.944 10 0 DCAELO COc1ccc(CN(C)C(=O)C[N@@H+]2CCNC(=O)CC2)cc1 ZINC000073350345 286301863 /nfs/dbraw/zinc/30/18/63/286301863.db2.gz DTMZDDUNORLIQN-UHFFFAOYSA-N 1 2 305.378 0.476 10 0 DCAELO COc1ccc(CN(C)C(=O)C[N@H+]2CCNC(=O)CC2)cc1 ZINC000073350345 286301864 /nfs/dbraw/zinc/30/18/64/286301864.db2.gz DTMZDDUNORLIQN-UHFFFAOYSA-N 1 2 305.378 0.476 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)c2cncc(Br)c2)C1 ZINC000110484139 158138539 /nfs/dbraw/zinc/13/85/39/158138539.db2.gz FLLGGKQDSZZQLP-LLVKDONJSA-N 1 2 314.183 0.905 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)c2cncc(Br)c2)C1 ZINC000110484139 158138541 /nfs/dbraw/zinc/13/85/41/158138541.db2.gz FLLGGKQDSZZQLP-LLVKDONJSA-N 1 2 314.183 0.905 10 0 DCAELO Cc1nn(C)c(C)c1CC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000114857770 158157641 /nfs/dbraw/zinc/15/76/41/158157641.db2.gz MZZGBQKWWVAGLU-AWEZNQCLSA-N 1 2 306.410 0.559 10 0 DCAELO Cc1nn(C)c(C)c1CC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000114857770 158157644 /nfs/dbraw/zinc/15/76/44/158157644.db2.gz MZZGBQKWWVAGLU-AWEZNQCLSA-N 1 2 306.410 0.559 10 0 DCAELO Cc1cnn(Cc2cc(C(=O)NCCn3cc[nH+]c3)no2)c1 ZINC000119490290 158187999 /nfs/dbraw/zinc/18/79/99/158187999.db2.gz KQMJIZHXLMZUOJ-UHFFFAOYSA-N 1 2 300.322 0.854 10 0 DCAELO O=C(NC1CC1)[C@H](c1ccc(F)cc1)[N@@H+]1CCNC(=O)CC1 ZINC000120610110 158200789 /nfs/dbraw/zinc/20/07/89/158200789.db2.gz XIPCTDLBSPCMQT-HNNXBMFYSA-N 1 2 305.353 0.967 10 0 DCAELO O=C(NC1CC1)[C@H](c1ccc(F)cc1)[N@H+]1CCNC(=O)CC1 ZINC000120610110 158200791 /nfs/dbraw/zinc/20/07/91/158200791.db2.gz XIPCTDLBSPCMQT-HNNXBMFYSA-N 1 2 305.353 0.967 10 0 DCAELO O=S(=O)(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1cccc(F)c1 ZINC000123683800 158233164 /nfs/dbraw/zinc/23/31/64/158233164.db2.gz YMLBYTSZHARAPR-CYBMUJFWSA-N 1 2 314.382 0.967 10 0 DCAELO O=S(=O)(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1cccc(F)c1 ZINC000123683800 158233166 /nfs/dbraw/zinc/23/31/66/158233166.db2.gz YMLBYTSZHARAPR-CYBMUJFWSA-N 1 2 314.382 0.967 10 0 DCAELO C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CCS1(=O)=O ZINC000127247215 158271778 /nfs/dbraw/zinc/27/17/78/158271778.db2.gz ZAWFCCQGGVZOHV-DGCLKSJQSA-N 1 2 300.424 0.506 10 0 DCAELO O=C(C[N@@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1)N1CCCC1 ZINC000128458238 158280784 /nfs/dbraw/zinc/28/07/84/158280784.db2.gz GPFGBGUDEVRMJH-CYBMUJFWSA-N 1 2 315.439 0.109 10 0 DCAELO O=C(C[N@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1)N1CCCC1 ZINC000128458238 158280785 /nfs/dbraw/zinc/28/07/85/158280785.db2.gz GPFGBGUDEVRMJH-CYBMUJFWSA-N 1 2 315.439 0.109 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)N(C)CCCn2cc[nH+]c2)C[C@@H](C)O1 ZINC000134544176 158328281 /nfs/dbraw/zinc/32/82/81/158328281.db2.gz GLCYVCZGZVCXHL-CHWSQXEVSA-N 1 2 316.427 0.559 10 0 DCAELO Cc1nc(C(=O)NCc2cccnc2-n2cc[nH+]c2)c(=O)[nH]c1C ZINC000135005351 158332732 /nfs/dbraw/zinc/33/27/32/158332732.db2.gz HMGZABBCPGOLFR-UHFFFAOYSA-N 1 2 324.344 0.897 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)c2cccnc2Br)C1 ZINC000135154591 158333690 /nfs/dbraw/zinc/33/36/90/158333690.db2.gz BLSSMPGLZASMRU-SECBINFHSA-N 1 2 314.183 0.905 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)c2cccnc2Br)C1 ZINC000135154591 158333692 /nfs/dbraw/zinc/33/36/92/158333692.db2.gz BLSSMPGLZASMRU-SECBINFHSA-N 1 2 314.183 0.905 10 0 DCAELO CN(C)c1[nH+]cccc1CNC(=O)NCC1(O)CCOCC1 ZINC000171421988 158381620 /nfs/dbraw/zinc/38/16/20/158381620.db2.gz DXQIEPNMIBWBMR-UHFFFAOYSA-N 1 2 308.382 0.488 10 0 DCAELO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000172804042 158399789 /nfs/dbraw/zinc/39/97/89/158399789.db2.gz VXUNHZHWXBDHOH-DZGCQCFKSA-N 1 2 322.453 0.269 10 0 DCAELO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCN2CCCC[C@@H]2C1 ZINC000172804042 158399790 /nfs/dbraw/zinc/39/97/90/158399790.db2.gz VXUNHZHWXBDHOH-DZGCQCFKSA-N 1 2 322.453 0.269 10 0 DCAELO Cc1nn(C)cc1NC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000189707495 158554396 /nfs/dbraw/zinc/55/43/96/158554396.db2.gz UHHYOCNWYXURKU-RISCZKNCSA-N 1 2 307.398 0.913 10 0 DCAELO Cc1cc(CN2CC[NH+]([C@@H]3CCN(C4CC4)C3=O)CC2)on1 ZINC000328681707 159020295 /nfs/dbraw/zinc/02/02/95/159020295.db2.gz VGIOWGFJBGBLLX-OAHLLOKOSA-N 1 2 304.394 0.864 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(N)=O)s3)C[C@@H]21 ZINC000328867531 159036000 /nfs/dbraw/zinc/03/60/00/159036000.db2.gz GZTKFQUBCQOUNA-UWVGGRQHSA-N 1 2 309.391 0.392 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(N)=O)s3)C[C@@H]21 ZINC000328867531 159036002 /nfs/dbraw/zinc/03/60/02/159036002.db2.gz GZTKFQUBCQOUNA-UWVGGRQHSA-N 1 2 309.391 0.392 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)CN3CCCCCCC3=O)C[C@@H]21 ZINC000328872306 159036284 /nfs/dbraw/zinc/03/62/84/159036284.db2.gz DVFXKUAOIOCZRV-LSDHHAIUSA-N 1 2 323.437 0.711 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)CN3CCCCCCC3=O)C[C@@H]21 ZINC000328872306 159036285 /nfs/dbraw/zinc/03/62/85/159036285.db2.gz DVFXKUAOIOCZRV-LSDHHAIUSA-N 1 2 323.437 0.711 10 0 DCAELO Cn1cc(-c2cc(C[N@@H+]3C[C@@H]4CCS(=O)(=O)[C@@H]4C3)on2)cn1 ZINC000329166721 159070015 /nfs/dbraw/zinc/07/00/15/159070015.db2.gz IDBRVKCDGQKERT-IINYFYTJSA-N 1 2 322.390 0.694 10 0 DCAELO Cn1cc(-c2cc(C[N@H+]3C[C@@H]4CCS(=O)(=O)[C@@H]4C3)on2)cn1 ZINC000329166721 159070017 /nfs/dbraw/zinc/07/00/17/159070017.db2.gz IDBRVKCDGQKERT-IINYFYTJSA-N 1 2 322.390 0.694 10 0 DCAELO CN(Cc1ccccc1)C(=O)C[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329197272 159072098 /nfs/dbraw/zinc/07/20/98/159072098.db2.gz VFSHRKDHJKZUSP-LSDHHAIUSA-N 1 2 322.430 0.764 10 0 DCAELO CN(Cc1ccccc1)C(=O)C[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329197272 159072100 /nfs/dbraw/zinc/07/21/00/159072100.db2.gz VFSHRKDHJKZUSP-LSDHHAIUSA-N 1 2 322.430 0.764 10 0 DCAELO O=C([C@H]1COCC[N@@H+]1CC1CCC1)N1CCC[C@@](F)(CO)C1 ZINC000329251386 159076694 /nfs/dbraw/zinc/07/66/94/159076694.db2.gz XZVKVCHIWCBKRE-ZBFHGGJFSA-N 1 2 314.401 0.810 10 0 DCAELO O=C([C@H]1COCC[N@H+]1CC1CCC1)N1CCC[C@@](F)(CO)C1 ZINC000329251386 159076697 /nfs/dbraw/zinc/07/66/97/159076697.db2.gz XZVKVCHIWCBKRE-ZBFHGGJFSA-N 1 2 314.401 0.810 10 0 DCAELO O=C(COC[C@H]1CCOC1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000329306811 159081671 /nfs/dbraw/zinc/08/16/71/159081671.db2.gz BHCXPAZRTWUDEG-ZDUSSCGKSA-N 1 2 308.382 0.107 10 0 DCAELO Cc1nnc([C@@H]2CCCN(C(=O)[C@@H](C)[NH+]3CCOCC3)C2)[nH]1 ZINC000329436288 159092837 /nfs/dbraw/zinc/09/28/37/159092837.db2.gz JUUAPNCZEGNRHP-DGCLKSJQSA-N 1 2 307.398 0.540 10 0 DCAELO C[C@H](CC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)N1CCCCC1=O ZINC000329935275 159130061 /nfs/dbraw/zinc/13/00/61/159130061.db2.gz QXBDBVLPYMRSIS-HUUCEWRRSA-N 1 2 323.437 0.711 10 0 DCAELO CC[C@H]1CN(C(=O)C2(O)CCOCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000330001147 159134359 /nfs/dbraw/zinc/13/43/59/159134359.db2.gz AANALLFWCOWSAP-KBPBESRZSA-N 1 2 312.410 0.097 10 0 DCAELO C[C@@H](CC(=O)N(C)CC[NH+]1CCOCC1)N1CCCCC1=O ZINC000330034315 159136963 /nfs/dbraw/zinc/13/69/63/159136963.db2.gz WHEJZSGYACTMIA-AWEZNQCLSA-N 1 2 311.426 0.568 10 0 DCAELO CCC(=O)N1CSC[C@H]1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000332774153 159213401 /nfs/dbraw/zinc/21/34/01/159213401.db2.gz KVIZTXXXXDARIE-SKDRFNHKSA-N 1 2 308.407 0.695 10 0 DCAELO CCC(=O)N1CSC[C@H]1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000332774153 159213403 /nfs/dbraw/zinc/21/34/03/159213403.db2.gz KVIZTXXXXDARIE-SKDRFNHKSA-N 1 2 308.407 0.695 10 0 DCAELO C[C@@H]1OCC[C@@]1(O)CNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000332884713 159216044 /nfs/dbraw/zinc/21/60/44/159216044.db2.gz OETJTJBJKMEJNX-JGGQBBKZSA-N 1 2 312.410 0.143 10 0 DCAELO C[C@@H]1OCC[C@@]1(O)CNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000332884713 159216046 /nfs/dbraw/zinc/21/60/46/159216046.db2.gz OETJTJBJKMEJNX-JGGQBBKZSA-N 1 2 312.410 0.143 10 0 DCAELO COc1nc(C)ccc1C(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000408022158 160014222 /nfs/dbraw/zinc/01/42/22/160014222.db2.gz RJRBNPPOHJLSJD-ZIAGYGMSSA-N 1 2 305.378 0.944 10 0 DCAELO COc1nc(C)ccc1C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000408022158 160014223 /nfs/dbraw/zinc/01/42/23/160014223.db2.gz RJRBNPPOHJLSJD-ZIAGYGMSSA-N 1 2 305.378 0.944 10 0 DCAELO C[C@H]1CCCN(S(=O)(=O)NCC[N@@H+]2CCOC[C@@H]2C)C1 ZINC000408076536 160030372 /nfs/dbraw/zinc/03/03/72/160030372.db2.gz KDSXKEZWTZMNLE-STQMWFEESA-N 1 2 305.444 0.273 10 0 DCAELO C[C@H]1CCCN(S(=O)(=O)NCC[N@H+]2CCOC[C@@H]2C)C1 ZINC000408076536 160030373 /nfs/dbraw/zinc/03/03/73/160030373.db2.gz KDSXKEZWTZMNLE-STQMWFEESA-N 1 2 305.444 0.273 10 0 DCAELO CC[C@H](C)[C@H](NC(C)=O)C(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000408083232 160031820 /nfs/dbraw/zinc/03/18/20/160031820.db2.gz IOWPBJYAVDHURH-MYPMTAMASA-N 1 2 311.426 0.469 10 0 DCAELO CC[C@H](C)[C@H](NC(C)=O)C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000408083232 160031823 /nfs/dbraw/zinc/03/18/23/160031823.db2.gz IOWPBJYAVDHURH-MYPMTAMASA-N 1 2 311.426 0.469 10 0 DCAELO C[C@H]1CC[N@H+](CC2=Nc3ccccc3S(=O)(=O)N2)C[C@H]1O ZINC000408088091 160032298 /nfs/dbraw/zinc/03/22/98/160032298.db2.gz DJPYMSWTXREYIB-CMPLNLGQSA-N 1 2 309.391 0.711 10 0 DCAELO C[C@H]1CC[N@@H+](CC2=Nc3ccccc3S(=O)(=O)N2)C[C@H]1O ZINC000408088091 160032299 /nfs/dbraw/zinc/03/22/99/160032299.db2.gz DJPYMSWTXREYIB-CMPLNLGQSA-N 1 2 309.391 0.711 10 0 DCAELO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)N2CCCCC2)CC1 ZINC000408106679 160037364 /nfs/dbraw/zinc/03/73/64/160037364.db2.gz YZQROXVUSSRDHX-CYBMUJFWSA-N 1 2 305.444 0.106 10 0 DCAELO CC(C)CN(C)S(=O)(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000408132090 160044170 /nfs/dbraw/zinc/04/41/70/160044170.db2.gz JGOMYVYBSNKTGP-ZIAGYGMSSA-N 1 2 319.471 0.472 10 0 DCAELO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000408189817 160055852 /nfs/dbraw/zinc/05/58/52/160055852.db2.gz QJSRJCCTJHHFMK-GZMMTYOYSA-N 1 2 311.304 0.610 10 0 DCAELO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000408189817 160055855 /nfs/dbraw/zinc/05/58/55/160055855.db2.gz QJSRJCCTJHHFMK-GZMMTYOYSA-N 1 2 311.304 0.610 10 0 DCAELO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2[C@@H](C)C2(F)F)CC1 ZINC000408230177 160064525 /nfs/dbraw/zinc/06/45/25/160064525.db2.gz DAEFEKLBZDPNGV-PWSUYJOCSA-N 1 2 303.353 0.558 10 0 DCAELO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2[C@@H](C)C2(F)F)CC1 ZINC000408230177 160064527 /nfs/dbraw/zinc/06/45/27/160064527.db2.gz DAEFEKLBZDPNGV-PWSUYJOCSA-N 1 2 303.353 0.558 10 0 DCAELO CNC(=O)N[C@H]1CC[N@@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000408256100 160070645 /nfs/dbraw/zinc/07/06/45/160070645.db2.gz KGRSMRLQOZEQNE-DTWKUNHWSA-N 1 2 308.304 0.153 10 0 DCAELO CNC(=O)N[C@H]1CC[N@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000408256100 160070647 /nfs/dbraw/zinc/07/06/47/160070647.db2.gz KGRSMRLQOZEQNE-DTWKUNHWSA-N 1 2 308.304 0.153 10 0 DCAELO CSc1c(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)cnn1C ZINC000408330759 160086329 /nfs/dbraw/zinc/08/63/29/160086329.db2.gz TWDKPGWFSCTABD-YPMHNXCESA-N 1 2 324.450 0.935 10 0 DCAELO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(S(C)(=O)=O)CC2)no1 ZINC000408337329 160087635 /nfs/dbraw/zinc/08/76/35/160087635.db2.gz BWNVZUWHHREAOC-LLVKDONJSA-N 1 2 302.400 0.624 10 0 DCAELO Cc1nc(C[N@H+](C)[C@@H]2CCCN(S(C)(=O)=O)CC2)no1 ZINC000408337329 160087636 /nfs/dbraw/zinc/08/76/36/160087636.db2.gz BWNVZUWHHREAOC-LLVKDONJSA-N 1 2 302.400 0.624 10 0 DCAELO CC(C)[NH+]1CCN(S(=O)(=O)c2c(Cl)cnn2C)CC1 ZINC000408351193 160090445 /nfs/dbraw/zinc/09/04/45/160090445.db2.gz CJPPEUUBAKGVSM-UHFFFAOYSA-N 1 2 306.819 0.788 10 0 DCAELO CN(C)C(=O)C1(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)CC1 ZINC000408385238 160096529 /nfs/dbraw/zinc/09/65/29/160096529.db2.gz JKFVQSMAEQVCPD-UHFFFAOYSA-N 1 2 308.407 0.938 10 0 DCAELO CN(C)C(=O)C1(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)CC1 ZINC000408385238 160096532 /nfs/dbraw/zinc/09/65/32/160096532.db2.gz JKFVQSMAEQVCPD-UHFFFAOYSA-N 1 2 308.407 0.938 10 0 DCAELO CNC(=O)C[NH+]1CCN(c2ncnc3c2CCCCC3)CC1 ZINC000408413794 160103408 /nfs/dbraw/zinc/10/34/08/160103408.db2.gz WGBDECQACXTRDR-UHFFFAOYSA-N 1 2 303.410 0.614 10 0 DCAELO CCCn1nccc1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000152090652 287038115 /nfs/dbraw/zinc/03/81/15/287038115.db2.gz FYLUORBIQNLWGL-UHFFFAOYSA-N 1 2 305.382 0.538 10 0 DCAELO O=C([C@@H]1CSCCS1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000177347406 287054341 /nfs/dbraw/zinc/05/43/41/287054341.db2.gz WSEMXJZDCBIHFW-RYUDHWBXSA-N 1 2 302.465 0.768 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)N2CCC[C@H]2C)C[C@@H]1C ZINC000248695597 287100277 /nfs/dbraw/zinc/10/02/77/287100277.db2.gz JPASBIDBDNCZTJ-AGIUHOORSA-N 1 2 305.444 0.102 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)N2CCC[C@H]2C)C[C@@H]1C ZINC000248695597 287100279 /nfs/dbraw/zinc/10/02/79/287100279.db2.gz JPASBIDBDNCZTJ-AGIUHOORSA-N 1 2 305.444 0.102 10 0 DCAELO CC(C)CS(=O)(=O)CC(=O)NCc1ccc[nH+]c1N(C)C ZINC000048229274 415287858 /nfs/dbraw/zinc/28/78/58/415287858.db2.gz RAFDEZMZEVCYGL-UHFFFAOYSA-N 1 2 313.423 0.835 10 0 DCAELO COc1ccc2c(c1)OC[C@H](C(=O)NC[C@@H]1C[N@H+](C)CCO1)C2 ZINC000049993835 415307905 /nfs/dbraw/zinc/30/79/05/415307905.db2.gz SXIHFQUUWOHBBC-UKRRQHHQSA-N 1 2 320.389 0.693 10 0 DCAELO COc1ccc2c(c1)OC[C@H](C(=O)NC[C@@H]1C[N@@H+](C)CCO1)C2 ZINC000049993835 415307912 /nfs/dbraw/zinc/30/79/12/415307912.db2.gz SXIHFQUUWOHBBC-UKRRQHHQSA-N 1 2 320.389 0.693 10 0 DCAELO Cc1nc(N2CCN(C(=O)N[C@@H]3CCO[C@H]3C)CC2)cc[nH+]1 ZINC000274176794 415332166 /nfs/dbraw/zinc/33/21/66/415332166.db2.gz JCCWKIDZZYDUBI-WCQYABFASA-N 1 2 305.382 0.794 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)NCc3noc(C4CC4)n3)C[C@H]21 ZINC000332755923 415466508 /nfs/dbraw/zinc/46/65/08/415466508.db2.gz KUIXMWBODSDWFS-NEPJUHHUSA-N 1 2 321.381 0.562 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)NCc3noc(C4CC4)n3)C[C@H]21 ZINC000332755923 415466515 /nfs/dbraw/zinc/46/65/15/415466515.db2.gz KUIXMWBODSDWFS-NEPJUHHUSA-N 1 2 321.381 0.562 10 0 DCAELO C[C@@H]1OCC[C@]1(O)CNC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000333374683 415628920 /nfs/dbraw/zinc/62/89/20/415628920.db2.gz DQUYZGNYCBZQRP-QRTARXTBSA-N 1 2 304.390 0.917 10 0 DCAELO C[C@@H]1OCC[C@]1(O)CNC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000333374683 415628926 /nfs/dbraw/zinc/62/89/26/415628926.db2.gz DQUYZGNYCBZQRP-QRTARXTBSA-N 1 2 304.390 0.917 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000105283458 415633208 /nfs/dbraw/zinc/63/32/08/415633208.db2.gz ZAEVTCAJOCOYRM-AWEZNQCLSA-N 1 2 307.398 0.560 10 0 DCAELO CN1CCO[C@@H](CNC(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000105283458 415633221 /nfs/dbraw/zinc/63/32/21/415633221.db2.gz ZAEVTCAJOCOYRM-AWEZNQCLSA-N 1 2 307.398 0.560 10 0 DCAELO C[C@@H]1C[C@H](S(=O)(=O)NC(C)(C)C[NH+]2CCOCC2)CCO1 ZINC000333923429 415764599 /nfs/dbraw/zinc/76/45/99/415764599.db2.gz SDXPOLPNDPYGQS-CHWSQXEVSA-N 1 2 320.455 0.584 10 0 DCAELO O=C(CNC(=O)c1cccnc1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000128963221 415903002 /nfs/dbraw/zinc/90/30/02/415903002.db2.gz FXHCKJWEBIZIMX-CQSZACIVSA-N 1 2 313.361 0.699 10 0 DCAELO COc1ccc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)cc1 ZINC000129602466 415910081 /nfs/dbraw/zinc/91/00/81/415910081.db2.gz DGBYSQVNFQAVBQ-UHFFFAOYSA-N 1 2 303.362 0.940 10 0 DCAELO CN1CC[N@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)C(C)(C)C1=O ZINC000129828198 415911615 /nfs/dbraw/zinc/91/16/15/415911615.db2.gz FHWYSZGJCPVURA-GFCCVEGCSA-N 1 2 317.455 0.211 10 0 DCAELO CN1CC[N@@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)C(C)(C)C1=O ZINC000129828198 415911624 /nfs/dbraw/zinc/91/16/24/415911624.db2.gz FHWYSZGJCPVURA-GFCCVEGCSA-N 1 2 317.455 0.211 10 0 DCAELO CCOC(=O)C[N@H+](CC(=O)NC1CCOCC1)C(C)(C)C ZINC000130736568 415920881 /nfs/dbraw/zinc/92/08/81/415920881.db2.gz GTACBYSTSARTDF-UHFFFAOYSA-N 1 2 300.399 0.945 10 0 DCAELO CCOC(=O)C[N@@H+](CC(=O)NC1CCOCC1)C(C)(C)C ZINC000130736568 415920886 /nfs/dbraw/zinc/92/08/86/415920886.db2.gz GTACBYSTSARTDF-UHFFFAOYSA-N 1 2 300.399 0.945 10 0 DCAELO Cc1noc(CN2CC[NH+]([C@H](C)C(=O)N3CCCCC3)CC2)n1 ZINC000151067357 415963538 /nfs/dbraw/zinc/96/35/38/415963538.db2.gz DXLOLCVBHKWSOP-CYBMUJFWSA-N 1 2 321.425 0.897 10 0 DCAELO Cn1cc[nH+]c1CN1CCN(CC(=O)Nc2nncs2)CC1 ZINC000172072628 416044053 /nfs/dbraw/zinc/04/40/53/416044053.db2.gz AAPOSNAFBWTPKA-UHFFFAOYSA-N 1 2 321.410 0.028 10 0 DCAELO Cc1c([C@H](C)NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cnn1C ZINC000173787461 416065458 /nfs/dbraw/zinc/06/54/58/416065458.db2.gz IKPOCFSIJHIQCA-GXTWGEPZSA-N 1 2 321.425 0.906 10 0 DCAELO O=C1[C@H]([N@@H+]2CC[C@H](N3CCOCC3)C2)CCN1CC(F)(F)F ZINC000173948830 416070460 /nfs/dbraw/zinc/07/04/60/416070460.db2.gz SROSOZACGAGQNS-NWDGAFQWSA-N 1 2 321.343 0.556 10 0 DCAELO O=C1[C@H]([N@H+]2CC[C@H](N3CCOCC3)C2)CCN1CC(F)(F)F ZINC000173948830 416070463 /nfs/dbraw/zinc/07/04/63/416070463.db2.gz SROSOZACGAGQNS-NWDGAFQWSA-N 1 2 321.343 0.556 10 0 DCAELO O=C1[C@H](N2CC[C@H]([NH+]3CCOCC3)C2)CCN1CC(F)(F)F ZINC000173948830 416070464 /nfs/dbraw/zinc/07/04/64/416070464.db2.gz SROSOZACGAGQNS-NWDGAFQWSA-N 1 2 321.343 0.556 10 0 DCAELO Cc1nn(C)c(C[N@@H+]2CCC[C@](O)(CO)C2)c1Br ZINC000313659834 416109412 /nfs/dbraw/zinc/10/94/12/416109412.db2.gz PGLWAYDVPRDMFK-GFCCVEGCSA-N 1 2 318.215 0.810 10 0 DCAELO Cc1nn(C)c(C[N@H+]2CCC[C@](O)(CO)C2)c1Br ZINC000313659834 416109416 /nfs/dbraw/zinc/10/94/16/416109416.db2.gz PGLWAYDVPRDMFK-GFCCVEGCSA-N 1 2 318.215 0.810 10 0 DCAELO Cc1nn(C)c(C[N@@H+]2CCC[C@@](O)(CO)C2)c1Br ZINC000313659837 416109654 /nfs/dbraw/zinc/10/96/54/416109654.db2.gz PGLWAYDVPRDMFK-LBPRGKRZSA-N 1 2 318.215 0.810 10 0 DCAELO Cc1nn(C)c(C[N@H+]2CCC[C@@](O)(CO)C2)c1Br ZINC000313659837 416109656 /nfs/dbraw/zinc/10/96/56/416109656.db2.gz PGLWAYDVPRDMFK-LBPRGKRZSA-N 1 2 318.215 0.810 10 0 DCAELO CC(C)Cn1cc[nH+]c1CNC(=O)NCCN1C(=O)CCC1=O ZINC000176766193 416134885 /nfs/dbraw/zinc/13/48/85/416134885.db2.gz YBLKLQKLFNURGI-UHFFFAOYSA-N 1 2 321.381 0.487 10 0 DCAELO CNC(=O)c1cccnc1NCC[NH+]1CCN(C(C)=O)CC1 ZINC000301376922 416081150 /nfs/dbraw/zinc/08/11/50/416081150.db2.gz WHSBDMJFUCRMTO-UHFFFAOYSA-N 1 2 305.382 0.017 10 0 DCAELO CC(C)CC(=O)N[C@@H](C(=O)NC[C@H]1C[NH+]2CCN1CC2)C(C)C ZINC000178650588 416167613 /nfs/dbraw/zinc/16/76/13/416167613.db2.gz HYUMQMQDRZSZRT-GOEBONIOSA-N 1 2 324.469 0.289 10 0 DCAELO Cc1cnn(C[C@H]2CN([C@@H](C)C[NH+]3CCOCC3)CCO2)c1 ZINC000180478691 416198105 /nfs/dbraw/zinc/19/81/05/416198105.db2.gz APHLYPZJHIQQIM-JKSUJKDBSA-N 1 2 308.426 0.613 10 0 DCAELO CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000180687575 416198767 /nfs/dbraw/zinc/19/87/67/416198767.db2.gz GYEHBWYSKKNZJC-CABCVRRESA-N 1 2 311.426 0.517 10 0 DCAELO CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000180687575 416198769 /nfs/dbraw/zinc/19/87/69/416198769.db2.gz GYEHBWYSKKNZJC-CABCVRRESA-N 1 2 311.426 0.517 10 0 DCAELO COCCCOCC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000180635615 416199730 /nfs/dbraw/zinc/19/97/30/416199730.db2.gz VOXIUPXWSNZFJS-HNNXBMFYSA-N 1 2 314.426 0.753 10 0 DCAELO Cn1cc([C@@H]2C[NH2+]CCN2S(=O)(=O)Cc2ccccc2)cn1 ZINC000181693250 416211591 /nfs/dbraw/zinc/21/15/91/416211591.db2.gz PNYKNBZPBODVCI-HNNXBMFYSA-N 1 2 320.418 0.896 10 0 DCAELO Cn1ncc2c1[nH]cc(C(=O)N1CC[N@@H+]3CCC[C@H]3C1)c2=O ZINC000181956273 416214209 /nfs/dbraw/zinc/21/42/09/416214209.db2.gz IIRVQGQUZMWNEW-JTQLQIEISA-N 1 2 301.350 0.594 10 0 DCAELO Cn1ncc2c1[nH]cc(C(=O)N1CC[N@H+]3CCC[C@H]3C1)c2=O ZINC000181956273 416214212 /nfs/dbraw/zinc/21/42/12/416214212.db2.gz IIRVQGQUZMWNEW-JTQLQIEISA-N 1 2 301.350 0.594 10 0 DCAELO C[C@@H](NC(=O)[C@H](C)[NH+]1CCSCC1)C(=O)N1CCCCC1 ZINC000341933863 416253601 /nfs/dbraw/zinc/25/36/01/416253601.db2.gz VYQLGCUYXPRBQH-OLZOCXBDSA-N 1 2 313.467 0.941 10 0 DCAELO Cc1cccc(C)c1NC(=O)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000190040068 416274806 /nfs/dbraw/zinc/27/48/06/416274806.db2.gz URZWZSOEAMTSOW-AWEZNQCLSA-N 1 2 319.405 0.767 10 0 DCAELO Cc1cccc(C)c1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000190040068 416274808 /nfs/dbraw/zinc/27/48/08/416274808.db2.gz URZWZSOEAMTSOW-AWEZNQCLSA-N 1 2 319.405 0.767 10 0 DCAELO CN(C)c1[nH+]cccc1CNC(=O)NCc1cc(C(N)=O)co1 ZINC000190206160 416276148 /nfs/dbraw/zinc/27/61/48/416276148.db2.gz MTDBUEFHOGHBQO-UHFFFAOYSA-N 1 2 317.349 0.839 10 0 DCAELO CC1=C(C(=O)NC[C@H]2C[N@H+](C)CCO2)[C@@H](C)n2ncnc2N1C ZINC000192197356 416302027 /nfs/dbraw/zinc/30/20/27/416302027.db2.gz ORAJMJILDQXNBG-NEPJUHHUSA-N 1 2 320.397 0.010 10 0 DCAELO CC1=C(C(=O)NC[C@H]2C[N@@H+](C)CCO2)[C@@H](C)n2ncnc2N1C ZINC000192197356 416302031 /nfs/dbraw/zinc/30/20/31/416302031.db2.gz ORAJMJILDQXNBG-NEPJUHHUSA-N 1 2 320.397 0.010 10 0 DCAELO Cc1cccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)n1 ZINC000193368305 416316171 /nfs/dbraw/zinc/31/61/71/416316171.db2.gz NCPDXDZAUBYQEP-CYBMUJFWSA-N 1 2 318.377 0.262 10 0 DCAELO C[C@@H]1C[N@H+](CC(=O)N(C)[C@@H]2CCCC[C@H]2C)C[C@@H](C(N)=O)O1 ZINC000246486460 416331931 /nfs/dbraw/zinc/33/19/31/416331931.db2.gz NMLDNOZIRSHLRX-SYQHCUMBSA-N 1 2 311.426 0.598 10 0 DCAELO C[C@@H]1C[N@@H+](CC(=O)N(C)[C@@H]2CCCC[C@H]2C)C[C@@H](C(N)=O)O1 ZINC000246486460 416331932 /nfs/dbraw/zinc/33/19/32/416331932.db2.gz NMLDNOZIRSHLRX-SYQHCUMBSA-N 1 2 311.426 0.598 10 0 DCAELO Cc1cnc(N[C@@H]2CCCN(CC[NH+]3CCOCC3)C2=O)nc1 ZINC000360435756 416389623 /nfs/dbraw/zinc/38/96/23/416389623.db2.gz HXBFKAXJNPKDJX-CQSZACIVSA-N 1 2 319.409 0.520 10 0 DCAELO CC[C@H](C)NC(=O)C[NH+]1CCN(Cc2cnnn2CC)CC1 ZINC000459281321 416532045 /nfs/dbraw/zinc/53/20/45/416532045.db2.gz CCDRMXUMFKKBGV-ZDUSSCGKSA-N 1 2 308.430 0.330 10 0 DCAELO COC(=O)[C@@H](C1CC1)[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000434744470 416493991 /nfs/dbraw/zinc/49/39/91/416493991.db2.gz HELGYRJRKPYLNM-QWHCGFSZSA-N 1 2 316.423 0.438 10 0 DCAELO COC(=O)[C@@H](C1CC1)[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000434744470 416493997 /nfs/dbraw/zinc/49/39/97/416493997.db2.gz HELGYRJRKPYLNM-QWHCGFSZSA-N 1 2 316.423 0.438 10 0 DCAELO Cn1ccc(CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000534287856 416497487 /nfs/dbraw/zinc/49/74/87/416497487.db2.gz JQVMSURRUSGFPM-CYBMUJFWSA-N 1 2 300.366 0.893 10 0 DCAELO Cc1cc(NC(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)nn1C ZINC000439422605 416612758 /nfs/dbraw/zinc/61/27/58/416612758.db2.gz LOQZTZDDHIDRLD-UHFFFAOYSA-N 1 2 316.365 0.796 10 0 DCAELO CCOC(=O)[C@H](C)NC(=O)[C@H](C)Nc1cc[nH+]c(C(C)C)n1 ZINC000362670682 416569249 /nfs/dbraw/zinc/56/92/49/416569249.db2.gz WOWBBQRADAMTHC-QWRGUYRKSA-N 1 2 308.382 1.468 10 0 DCAELO CCc1nc(C(C)(C)[NH2+]CCC(=O)N(C)CC(=O)OC)no1 ZINC000441240128 416665705 /nfs/dbraw/zinc/66/57/05/416665705.db2.gz AJLQJDLEEGDQIB-UHFFFAOYSA-N 1 2 312.370 0.478 10 0 DCAELO C[C@@H](C[S@](C)=O)N(C)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000559764445 416824081 /nfs/dbraw/zinc/82/40/81/416824081.db2.gz FSVHCUOUIQGMSW-MGUXCZDKSA-N 1 2 322.390 0.498 10 0 DCAELO CCOC[C@H](O)C[NH2+][C@]1(C(=O)OC)C[C@@H](OCC)C1(C)C ZINC000444766070 416867539 /nfs/dbraw/zinc/86/75/39/416867539.db2.gz KTORHTSXQZDHFS-JMSVASOKSA-N 1 2 303.399 0.720 10 0 DCAELO CCOC[C@H](O)C[NH2+][C@@]1(C(=O)OC)C[C@@H](OCC)C1(C)C ZINC000444766071 416870350 /nfs/dbraw/zinc/87/03/50/416870350.db2.gz KTORHTSXQZDHFS-LALPHHSUSA-N 1 2 303.399 0.720 10 0 DCAELO COC(=O)[C@@]1(C)CCC[N@@H+]1[C@@H]1CCN(C2CCOCC2)C1=O ZINC000370119279 416887268 /nfs/dbraw/zinc/88/72/68/416887268.db2.gz DRDXUKBRTKVIRV-CZUORRHYSA-N 1 2 310.394 0.794 10 0 DCAELO COC(=O)[C@@]1(C)CCC[N@H+]1[C@@H]1CCN(C2CCOCC2)C1=O ZINC000370119279 416887277 /nfs/dbraw/zinc/88/72/77/416887277.db2.gz DRDXUKBRTKVIRV-CZUORRHYSA-N 1 2 310.394 0.794 10 0 DCAELO C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc2nccn2c1 ZINC000519581550 416920675 /nfs/dbraw/zinc/92/06/75/416920675.db2.gz VIXUKEYPHSPXCO-NSHDSACASA-N 1 2 301.350 0.435 10 0 DCAELO C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc2nccn2c1 ZINC000519581550 416920683 /nfs/dbraw/zinc/92/06/83/416920683.db2.gz VIXUKEYPHSPXCO-NSHDSACASA-N 1 2 301.350 0.435 10 0 DCAELO O=S(=O)(c1ccccc1)N1CC[NH2+]C[C@@H]1c1cccnn1 ZINC000616638847 417086763 /nfs/dbraw/zinc/08/67/63/417086763.db2.gz JCJKNMMHMDMHMU-CQSZACIVSA-N 1 2 304.375 0.812 10 0 DCAELO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000407989229 417130835 /nfs/dbraw/zinc/13/08/35/417130835.db2.gz GLOJQDBDYKNDRG-ILXRZTDVSA-N 1 2 323.437 0.709 10 0 DCAELO CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000407989229 417130840 /nfs/dbraw/zinc/13/08/40/417130840.db2.gz GLOJQDBDYKNDRG-ILXRZTDVSA-N 1 2 323.437 0.709 10 0 DCAELO CC1=CC[N@H+](CCNC(=O)N2CCS(=O)(=O)C[C@@H]2C)CC1 ZINC000525969879 417166345 /nfs/dbraw/zinc/16/63/45/417166345.db2.gz LVSUSFJEWXZTDR-ZDUSSCGKSA-N 1 2 315.439 0.467 10 0 DCAELO CC1=CC[N@@H+](CCNC(=O)N2CCS(=O)(=O)C[C@@H]2C)CC1 ZINC000525969879 417166350 /nfs/dbraw/zinc/16/63/50/417166350.db2.gz LVSUSFJEWXZTDR-ZDUSSCGKSA-N 1 2 315.439 0.467 10 0 DCAELO CO[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000570220248 417326385 /nfs/dbraw/zinc/32/63/85/417326385.db2.gz LKBJONJXUGGBAD-CMPLNLGQSA-N 1 2 302.334 0.957 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCO[C@@H](CO)C1)C2 ZINC000530288612 417563398 /nfs/dbraw/zinc/56/33/98/417563398.db2.gz SPYOKNRWTBNULI-NWDGAFQWSA-N 1 2 307.394 0.858 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCO[C@@H](CO)C1)CC2 ZINC000530288612 417563402 /nfs/dbraw/zinc/56/34/02/417563402.db2.gz SPYOKNRWTBNULI-NWDGAFQWSA-N 1 2 307.394 0.858 10 0 DCAELO CCC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000577012477 417657233 /nfs/dbraw/zinc/65/72/33/417657233.db2.gz AUWZUTATVYCHEV-OAHLLOKOSA-N 1 2 304.350 0.940 10 0 DCAELO CCOC(=O)[C@H](CC)N(C[C@H](O)C[NH+]1CCOCC1)C1CC1 ZINC000190611788 261135517 /nfs/dbraw/zinc/13/55/17/261135517.db2.gz ICSGCNQVSPLJHP-CABCVRRESA-N 1 2 314.426 0.486 10 0 DCAELO O=C(Nc1ccc2c(c1)CCO2)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000194576963 261146819 /nfs/dbraw/zinc/14/68/19/261146819.db2.gz GTHSAWGWWFVLST-UHFFFAOYSA-N 1 2 315.373 0.867 10 0 DCAELO O=C(c1cccnc1N1CCOCC1)N1CC[NH+](C2CC2)CC1 ZINC000195128303 261150473 /nfs/dbraw/zinc/15/04/73/261150473.db2.gz ABXOHSYFKKKDFC-UHFFFAOYSA-N 1 2 316.405 0.838 10 0 DCAELO Cc1cc(C(=O)N2CC[NH+](C)CC2)nn1-c1nc(C)cc(C)n1 ZINC000535727330 287839078 /nfs/dbraw/zinc/83/90/78/287839078.db2.gz BQVRIXRRQNKBIY-UHFFFAOYSA-N 1 2 314.393 0.975 10 0 DCAELO COC(=O)[C@H]([NH+]1CCN(c2cccnn2)CC1)C1(OC)CCC1 ZINC000289963944 277384343 /nfs/dbraw/zinc/38/43/43/277384343.db2.gz IUNATXGEPLPIAQ-AWEZNQCLSA-N 1 2 320.393 0.709 10 0 DCAELO C[C@](O)(Cn1ccccc1=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000548060915 288107559 /nfs/dbraw/zinc/10/75/59/288107559.db2.gz JWJDSIKMNFIKSS-INIZCTEOSA-N 1 2 318.377 0.392 10 0 DCAELO Cn1cc(C(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c(-c2ccoc2)n1 ZINC000378033914 279329863 /nfs/dbraw/zinc/32/98/63/279329863.db2.gz FTIDSASDEIQXHF-UONOGXRCSA-N 1 2 316.361 0.835 10 0 DCAELO Cn1cc(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c(-c2ccoc2)n1 ZINC000378033914 279329864 /nfs/dbraw/zinc/32/98/64/279329864.db2.gz FTIDSASDEIQXHF-UONOGXRCSA-N 1 2 316.361 0.835 10 0 DCAELO Cn1ccc(CNc2cc(N3CCN(C)C(=O)C3)nc[nH+]2)n1 ZINC000548490760 288148176 /nfs/dbraw/zinc/14/81/76/288148176.db2.gz KUQOKYPCWFXDLR-UHFFFAOYSA-N 1 2 301.354 0.101 10 0 DCAELO Cn1ccc(CNc2cc(N3CCN(C)C(=O)C3)[nH+]cn2)n1 ZINC000548490760 288148178 /nfs/dbraw/zinc/14/81/78/288148178.db2.gz KUQOKYPCWFXDLR-UHFFFAOYSA-N 1 2 301.354 0.101 10 0 DCAELO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCO[C@H]1c1ccnn1C ZINC000548667058 288165242 /nfs/dbraw/zinc/16/52/42/288165242.db2.gz YCOCSEZEDIORFN-YRGRVCCFSA-N 1 2 303.366 0.899 10 0 DCAELO C[C@@H]1CN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)CC[S@](=O)C1 ZINC000277570387 288257545 /nfs/dbraw/zinc/25/75/45/288257545.db2.gz BAYAPTSIAIONFW-VJBOLBCHSA-N 1 2 324.450 0.643 10 0 DCAELO C[C@@H]1CN(c2cc(N3CCC[C@@H]3CO)nc[nH+]2)CC[S@](=O)C1 ZINC000277570387 288257548 /nfs/dbraw/zinc/25/75/48/288257548.db2.gz BAYAPTSIAIONFW-VJBOLBCHSA-N 1 2 324.450 0.643 10 0 DCAELO O=C(NCCSCCCO)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000553072387 288286203 /nfs/dbraw/zinc/28/62/03/288286203.db2.gz ILGVHAGEQRCOGV-UHFFFAOYSA-N 1 2 322.390 0.505 10 0 DCAELO CSC[C@](C)(O)CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000563708339 288699171 /nfs/dbraw/zinc/69/91/71/288699171.db2.gz LFOUWCMXHWCNCU-CQSZACIVSA-N 1 2 322.390 0.503 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(S(=O)(=O)N3CCCCCC3)C[C@@H]21 ZINC000328841457 290114854 /nfs/dbraw/zinc/11/48/54/290114854.db2.gz PMFUTNIKJDYEDC-KBPBESRZSA-N 1 2 317.455 0.512 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(S(=O)(=O)N3CCCCCC3)C[C@@H]21 ZINC000328841457 290114855 /nfs/dbraw/zinc/11/48/55/290114855.db2.gz PMFUTNIKJDYEDC-KBPBESRZSA-N 1 2 317.455 0.512 10 0 DCAELO C[C@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329170174 298014959 /nfs/dbraw/zinc/01/49/59/298014959.db2.gz JZIARGNAFOQMQS-FRRDWIJNSA-N 1 2 300.424 0.506 10 0 DCAELO C[C@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329170174 298014963 /nfs/dbraw/zinc/01/49/63/298014963.db2.gz JZIARGNAFOQMQS-FRRDWIJNSA-N 1 2 300.424 0.506 10 0 DCAELO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC(=O)NCc3cccnc3)[C@@H]2C1 ZINC000158074023 523708268 /nfs/dbraw/zinc/70/82/68/523708268.db2.gz SMWFNOFHARFZIO-OAGGEKHMSA-N 1 2 319.405 0.966 10 0 DCAELO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC(=O)NCc3cccnc3)[C@@H]2C1 ZINC000158074023 523708274 /nfs/dbraw/zinc/70/82/74/523708274.db2.gz SMWFNOFHARFZIO-OAGGEKHMSA-N 1 2 319.405 0.966 10 0 DCAELO COCC[N@@H+]1CCN(S(=O)(=O)c2ccc(N)cc2)C[C@@H]1C ZINC000186016755 523859184 /nfs/dbraw/zinc/85/91/84/523859184.db2.gz IUXZSYURFNXIPE-LBPRGKRZSA-N 1 2 313.423 0.610 10 0 DCAELO COCC[N@H+]1CCN(S(=O)(=O)c2ccc(N)cc2)C[C@@H]1C ZINC000186016755 523859191 /nfs/dbraw/zinc/85/91/91/523859191.db2.gz IUXZSYURFNXIPE-LBPRGKRZSA-N 1 2 313.423 0.610 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2cccc(OCC(F)F)n2)C1 ZINC000124855508 523937814 /nfs/dbraw/zinc/93/78/14/523937814.db2.gz POBOYKMWTPDXSW-JTQLQIEISA-N 1 2 315.320 0.786 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)c2cccc(OCC(F)F)n2)C1 ZINC000124855508 523937818 /nfs/dbraw/zinc/93/78/18/523937818.db2.gz POBOYKMWTPDXSW-JTQLQIEISA-N 1 2 315.320 0.786 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2cnn(-c3ccc(F)cc3)n2)C1 ZINC000157666337 523938736 /nfs/dbraw/zinc/93/87/36/523938736.db2.gz NDCKUUQZBWNJTK-ZDUSSCGKSA-N 1 2 319.340 0.467 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)c2cnn(-c3ccc(F)cc3)n2)C1 ZINC000157666337 523938741 /nfs/dbraw/zinc/93/87/41/523938741.db2.gz NDCKUUQZBWNJTK-ZDUSSCGKSA-N 1 2 319.340 0.467 10 0 DCAELO Cc1ccccc1CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000246421177 525160793 /nfs/dbraw/zinc/16/07/93/525160793.db2.gz JVBPRFWSTPBBOB-VNHYZAJKSA-N 1 2 319.405 0.574 10 0 DCAELO Cc1ccccc1CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000246421177 525160807 /nfs/dbraw/zinc/16/08/07/525160807.db2.gz JVBPRFWSTPBBOB-VNHYZAJKSA-N 1 2 319.405 0.574 10 0 DCAELO Cc1nc(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c(=O)[nH]c1C ZINC000156535761 526645148 /nfs/dbraw/zinc/64/51/48/526645148.db2.gz NTCVXCYSWNJKRO-GWCFXTLKSA-N 1 2 320.393 0.179 10 0 DCAELO Cn1cccc1[C@H]1COCC[N@@H+]1C[C@@H](O)CN1CCCC1=O ZINC000249265445 527412042 /nfs/dbraw/zinc/41/20/42/527412042.db2.gz ISDKCXHZZAEJBO-UKRRQHHQSA-N 1 2 307.394 0.382 10 0 DCAELO Cn1cccc1[C@H]1COCC[N@H+]1C[C@@H](O)CN1CCCC1=O ZINC000249265445 527412046 /nfs/dbraw/zinc/41/20/46/527412046.db2.gz ISDKCXHZZAEJBO-UKRRQHHQSA-N 1 2 307.394 0.382 10 0 DCAELO O=C(/C=C/c1cccc(O)c1)NC[C@H](O)C[NH+]1CCOCC1 ZINC000127419903 527628022 /nfs/dbraw/zinc/62/80/22/527628022.db2.gz HSTXAXODCBVLIX-RGDDUWESSA-N 1 2 306.362 0.215 10 0 DCAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2ccnnc2)CC1 ZINC000131788132 527630396 /nfs/dbraw/zinc/63/03/96/527630396.db2.gz GPKAEKMFGICXET-UHFFFAOYSA-N 1 2 314.393 0.785 10 0 DCAELO O[C@@H](CSc1nnnn1C1CCCC1)C[NH+]1CCOCC1 ZINC000070869649 545663955 /nfs/dbraw/zinc/66/39/55/545663955.db2.gz MEBUOTIMVALZNT-GFCCVEGCSA-N 1 2 313.427 0.573 10 0 DCAELO C[C@@H](NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)C(C)(C)C ZINC000083722737 545698295 /nfs/dbraw/zinc/69/82/95/545698295.db2.gz QHOKXXPAVFRGNI-CHWSQXEVSA-N 1 2 301.431 0.756 10 0 DCAELO O=S(=O)(CC[C@H]1CCCO1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000121918082 545750254 /nfs/dbraw/zinc/75/02/54/545750254.db2.gz SQMCZHDYFLIDJW-UONOGXRCSA-N 1 2 318.439 0.292 10 0 DCAELO CC(=O)[C@H](C)CCCCC(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000132908169 545794529 /nfs/dbraw/zinc/79/45/29/545794529.db2.gz BQXRBBRBTBYKFZ-HIFRSBDPSA-N 1 2 314.426 0.581 10 0 DCAELO CCNC(=O)C1CN(C(=O)Cn2c(C)[nH+]c3ccccc32)C1 ZINC000176103910 545887566 /nfs/dbraw/zinc/88/75/66/545887566.db2.gz PFCRFXGGISGJNR-UHFFFAOYSA-N 1 2 300.362 0.939 10 0 DCAELO CCOc1cnc(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)cn1 ZINC000189935843 545922664 /nfs/dbraw/zinc/92/26/64/545922664.db2.gz YCMVAHDMQIHOGB-GXTWGEPZSA-N 1 2 320.393 0.668 10 0 DCAELO C[C@@H]1C[N@H+](C[C@@H](O)CN2CCCC2=O)CCN1CC(F)(F)F ZINC000245654332 545962110 /nfs/dbraw/zinc/96/21/10/545962110.db2.gz DDPPXTPXDGNEOC-VXGBXAGGSA-N 1 2 323.359 0.538 10 0 DCAELO C[C@@H]1C[N@@H+](C[C@@H](O)CN2CCCC2=O)CCN1CC(F)(F)F ZINC000245654332 545962115 /nfs/dbraw/zinc/96/21/15/545962115.db2.gz DDPPXTPXDGNEOC-VXGBXAGGSA-N 1 2 323.359 0.538 10 0 DCAELO CO[C@@H]1C[C@@H](c2[nH]c(C)c(C)[nH+]2)N(CC(=O)N2CCOCC2)C1 ZINC000888102708 661182826 /nfs/dbraw/zinc/18/28/26/661182826.db2.gz HWCKYZVQVPENDK-KGLIPLIRSA-N 1 2 322.409 0.647 10 0 DCAELO CC(=O)N1CSC[C@@H]1C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000729448863 662888739 /nfs/dbraw/zinc/88/87/39/662888739.db2.gz DPDLOZACRMVVOY-NTZNESFSSA-N 1 2 315.439 0.133 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2cccnc2-n2cccn2)C1 ZINC000170683622 664586393 /nfs/dbraw/zinc/58/63/93/664586393.db2.gz IYONSUGKXNTDEC-LBPRGKRZSA-N 1 2 301.350 0.328 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)c2cccnc2-n2cccn2)C1 ZINC000170683622 664586395 /nfs/dbraw/zinc/58/63/95/664586395.db2.gz IYONSUGKXNTDEC-LBPRGKRZSA-N 1 2 301.350 0.328 10 0 DCAELO O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000172961989 664625927 /nfs/dbraw/zinc/62/59/27/664625927.db2.gz DEDFHCRAAYWMGZ-SOUVJXGZSA-N 1 2 319.405 0.302 10 0 DCAELO O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000172961989 664625928 /nfs/dbraw/zinc/62/59/28/664625928.db2.gz DEDFHCRAAYWMGZ-SOUVJXGZSA-N 1 2 319.405 0.302 10 0 DCAELO O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1CN1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172961989 664625930 /nfs/dbraw/zinc/62/59/30/664625930.db2.gz DEDFHCRAAYWMGZ-SOUVJXGZSA-N 1 2 319.405 0.302 10 0 DCAELO CCc1nnc(C[NH2+][C@H]2CCCN(S(C)(=O)=O)C2)s1 ZINC000701637523 666861597 /nfs/dbraw/zinc/86/15/97/666861597.db2.gz NNLMSKXUUIUALZ-VIFPVBQESA-N 1 2 304.441 0.614 10 0 DCAELO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1nc(Br)c[nH]1 ZINC000711679761 667528730 /nfs/dbraw/zinc/52/87/30/667528730.db2.gz HVKPOKNAELYUJH-RQJHMYQMSA-N 1 2 308.201 0.695 10 0 DCAELO CN(CC(=O)N1CCOCC1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000738950539 667688650 /nfs/dbraw/zinc/68/86/50/667688650.db2.gz GSYBUAVQJFKBPU-UHFFFAOYSA-N 1 2 317.349 0.657 10 0 DCAELO COc1ccccc1C[NH+]1CCN([C@]2(C(N)=O)CCOC2)CC1 ZINC000886026746 667725511 /nfs/dbraw/zinc/72/55/11/667725511.db2.gz TWQBEPFWUMMPRW-QGZVFWFLSA-N 1 2 319.405 0.457 10 0 DCAELO CCCn1cc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)cn1 ZINC000156140082 669838193 /nfs/dbraw/zinc/83/81/93/669838193.db2.gz KNUYTWNKAKIZPG-UHFFFAOYSA-N 1 2 305.382 0.538 10 0 DCAELO CO[C@H]1C[C@@H](CO)[N@H+](Cc2cn(C)nc2Br)C1 ZINC000714076558 670175235 /nfs/dbraw/zinc/17/52/35/670175235.db2.gz NBNPGVWNOVQJRA-UWVGGRQHSA-N 1 2 304.188 0.764 10 0 DCAELO CO[C@H]1C[C@@H](CO)[N@@H+](Cc2cn(C)nc2Br)C1 ZINC000714076558 670175236 /nfs/dbraw/zinc/17/52/36/670175236.db2.gz NBNPGVWNOVQJRA-UWVGGRQHSA-N 1 2 304.188 0.764 10 0 DCAELO COC(=O)c1cn(CN2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)nn1 ZINC000246777358 685166169 /nfs/dbraw/zinc/16/61/69/685166169.db2.gz WZBFPAATKNYNGB-DGCLKSJQSA-N 1 2 304.354 0.802 10 0 DCAELO CN(C)S(=O)(=O)CC[NH2+]Cc1nc(Br)c[nH]1 ZINC000380769456 685237792 /nfs/dbraw/zinc/23/77/92/685237792.db2.gz YJUMBNOIQJBUDF-UHFFFAOYSA-N 1 2 311.205 0.153 10 0 DCAELO Nc1ncnc(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000311767735 1190392350 /nfs/dbraw/zinc/39/23/50/1190392350.db2.gz GWZQCEMWOMSVBF-ZDUSSCGKSA-N 1 2 300.366 0.767 10 0 DCAELO Nc1ncnc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000311767735 1190392356 /nfs/dbraw/zinc/39/23/56/1190392356.db2.gz GWZQCEMWOMSVBF-ZDUSSCGKSA-N 1 2 300.366 0.767 10 0 DCAELO O[C@@H](CN1CCOCC1)C[N@@H+]1CCC=C(Br)C1 ZINC000404406467 774131573 /nfs/dbraw/zinc/13/15/73/774131573.db2.gz MERCIXJVVKMDSE-LBPRGKRZSA-N 1 2 305.216 0.664 10 0 DCAELO O[C@@H](CN1CCOCC1)C[N@H+]1CCC=C(Br)C1 ZINC000404406467 774131579 /nfs/dbraw/zinc/13/15/79/774131579.db2.gz MERCIXJVVKMDSE-LBPRGKRZSA-N 1 2 305.216 0.664 10 0 DCAELO O[C@H](CN1CCC=C(Br)C1)C[NH+]1CCOCC1 ZINC000404406467 774131585 /nfs/dbraw/zinc/13/15/85/774131585.db2.gz MERCIXJVVKMDSE-LBPRGKRZSA-N 1 2 305.216 0.664 10 0 DCAELO CC(C)c1nnc2n1C[C@H](NC(=O)NCCn1cc[nH+]c1)CC2 ZINC000181353091 199284290 /nfs/dbraw/zinc/28/42/90/199284290.db2.gz YBRNCWBHNGLVHG-GFCCVEGCSA-N 1 2 317.397 0.912 10 0 DCAELO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)N2CCC[C@@H]2C)CC1 ZINC000185106255 529701433 /nfs/dbraw/zinc/70/14/33/529701433.db2.gz ADOFRTYUNWIUHT-STQMWFEESA-N 1 2 305.444 0.104 10 0 DCAELO CN(CC(N)=O)C[C@@H]1C[N@H+](Cc2ccc3c[nH]nc3c2)CCO1 ZINC000275822545 529852284 /nfs/dbraw/zinc/85/22/84/529852284.db2.gz UUVWODAFCLOROI-CQSZACIVSA-N 1 2 317.393 0.181 10 0 DCAELO CN(CC(N)=O)C[C@@H]1C[N@@H+](Cc2ccc3c[nH]nc3c2)CCO1 ZINC000275822545 529852285 /nfs/dbraw/zinc/85/22/85/529852285.db2.gz UUVWODAFCLOROI-CQSZACIVSA-N 1 2 317.393 0.181 10 0 DCAELO C[N@@H+](CC(N)=O)C[C@@H]1CN(Cc2ccc3c[nH]nc3c2)CCO1 ZINC000275822545 529852287 /nfs/dbraw/zinc/85/22/87/529852287.db2.gz UUVWODAFCLOROI-CQSZACIVSA-N 1 2 317.393 0.181 10 0 DCAELO C[N@H+](CC(N)=O)C[C@@H]1CN(Cc2ccc3c[nH]nc3c2)CCO1 ZINC000275822545 529852288 /nfs/dbraw/zinc/85/22/88/529852288.db2.gz UUVWODAFCLOROI-CQSZACIVSA-N 1 2 317.393 0.181 10 0 DCAELO CNC(=O)c1cccnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000302106925 529951586 /nfs/dbraw/zinc/95/15/86/529951586.db2.gz AEYIJEAMIHNVFQ-UHFFFAOYSA-N 1 2 312.377 0.866 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)C1 ZINC000264251070 186327523 /nfs/dbraw/zinc/32/75/23/186327523.db2.gz BMIQIYHJOYKMIO-CHWSQXEVSA-N 1 2 307.398 0.629 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)C1 ZINC000264251070 186327525 /nfs/dbraw/zinc/32/75/25/186327525.db2.gz BMIQIYHJOYKMIO-CHWSQXEVSA-N 1 2 307.398 0.629 10 0 DCAELO OCCCSCCNc1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000172823289 198153842 /nfs/dbraw/zinc/15/38/42/198153842.db2.gz GBUGXUWQLVLTRE-LBPRGKRZSA-N 1 2 312.439 0.965 10 0 DCAELO OCCCSCCNc1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000172823289 198153843 /nfs/dbraw/zinc/15/38/43/198153843.db2.gz GBUGXUWQLVLTRE-LBPRGKRZSA-N 1 2 312.439 0.965 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cnccn2)nc[nH+]1 ZINC000173443085 198216153 /nfs/dbraw/zinc/21/61/53/198216153.db2.gz GRHLFPOMFBSDSS-LLVKDONJSA-N 1 2 313.365 0.707 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cnccn2)[nH+]cn1 ZINC000173443085 198216156 /nfs/dbraw/zinc/21/61/56/198216156.db2.gz GRHLFPOMFBSDSS-LLVKDONJSA-N 1 2 313.365 0.707 10 0 DCAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)C2(O)CCC2)CC1 ZINC000186480040 237318075 /nfs/dbraw/zinc/31/80/75/237318075.db2.gz QDPHFLQKKPVOAE-UHFFFAOYSA-N 1 2 306.410 0.596 10 0 DCAELO COc1ccc(O)cc1C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000187444194 200112934 /nfs/dbraw/zinc/11/29/34/200112934.db2.gz CSLSNLFLTTVHBC-LBPRGKRZSA-N 1 2 306.362 0.948 10 0 DCAELO CCCC(=O)N[C@H]1CCCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)C1 ZINC000188480464 200254095 /nfs/dbraw/zinc/25/40/95/200254095.db2.gz IRMZQJKOJGAIQN-NSHDSACASA-N 1 2 319.409 0.576 10 0 DCAELO Cc1cc(S(=O)(=O)N2CC[N@H+](CCO)[C@H](C)C2)ccc1F ZINC000188724282 200293958 /nfs/dbraw/zinc/29/39/58/200293958.db2.gz XVCSSDGODUQZAB-GFCCVEGCSA-N 1 2 316.398 0.821 10 0 DCAELO Cc1cc(S(=O)(=O)N2CC[N@@H+](CCO)[C@H](C)C2)ccc1F ZINC000188724282 200293959 /nfs/dbraw/zinc/29/39/59/200293959.db2.gz XVCSSDGODUQZAB-GFCCVEGCSA-N 1 2 316.398 0.821 10 0 DCAELO Cc1ccc(S(=O)(=O)N2CC[N@H+](CCO)[C@H](C)C2)c(F)c1 ZINC000188727313 200295905 /nfs/dbraw/zinc/29/59/05/200295905.db2.gz UCAQWUSOWPAMQD-GFCCVEGCSA-N 1 2 316.398 0.821 10 0 DCAELO Cc1ccc(S(=O)(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c(F)c1 ZINC000188727313 200295908 /nfs/dbraw/zinc/29/59/08/200295908.db2.gz UCAQWUSOWPAMQD-GFCCVEGCSA-N 1 2 316.398 0.821 10 0 DCAELO C[C@@H]1CN(C(=O)c2cnn3cccnc23)C[C@@H]1[NH+]1CCOCC1 ZINC000266109361 205103956 /nfs/dbraw/zinc/10/39/56/205103956.db2.gz AHLAOUGZDANORZ-OCCSQVGLSA-N 1 2 315.377 0.522 10 0 DCAELO Cc1cc(NC(=O)NC[C@H](C)[NH+]2CCOCC2)ccc1C(N)=O ZINC000105344858 194099438 /nfs/dbraw/zinc/09/94/38/194099438.db2.gz SBLORGOEFZUVDQ-LBPRGKRZSA-N 1 2 320.393 0.936 10 0 DCAELO Cc1nc(C[N@@H+]2CCCN(C(=O)[C@@H]3CNC(=O)C3)CC2)cs1 ZINC000105819606 194136559 /nfs/dbraw/zinc/13/65/59/194136559.db2.gz QMFKXQOJVNHSJN-LBPRGKRZSA-N 1 2 322.434 0.622 10 0 DCAELO Cc1nc(C[N@H+]2CCCN(C(=O)[C@@H]3CNC(=O)C3)CC2)cs1 ZINC000105819606 194136561 /nfs/dbraw/zinc/13/65/61/194136561.db2.gz QMFKXQOJVNHSJN-LBPRGKRZSA-N 1 2 322.434 0.622 10 0 DCAELO Cc1nc(C2CC2)oc1C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000273772888 211046428 /nfs/dbraw/zinc/04/64/28/211046428.db2.gz WDCFJTMUWVZKGJ-ZDUSSCGKSA-N 1 2 323.393 0.626 10 0 DCAELO CN(C[C@@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C)C(=O)[C@H]1CCCO1 ZINC000351946729 254382791 /nfs/dbraw/zinc/38/27/91/254382791.db2.gz HXPWGTYCSKLOFC-HZSPNIEDSA-N 1 2 324.400 0.970 10 0 DCAELO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000283828749 131027537 /nfs/dbraw/zinc/02/75/37/131027537.db2.gz FARPWTNWZKJYRT-HZSPNIEDSA-N 1 2 307.398 0.386 10 0 DCAELO CN(C)C(=O)COC[C@@H]1C[N@H+](Cc2ccnn2C)CC(C)(C)O1 ZINC000284606059 131097353 /nfs/dbraw/zinc/09/73/53/131097353.db2.gz RNLGOCVVNOOUOX-AWEZNQCLSA-N 1 2 324.425 0.504 10 0 DCAELO CN(C)C(=O)COC[C@@H]1C[N@@H+](Cc2ccnn2C)CC(C)(C)O1 ZINC000284606059 131097354 /nfs/dbraw/zinc/09/73/54/131097354.db2.gz RNLGOCVVNOOUOX-AWEZNQCLSA-N 1 2 324.425 0.504 10 0 DCAELO Cc1nn(C)cc1[C@H](C)NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000285313816 131157314 /nfs/dbraw/zinc/15/73/14/131157314.db2.gz HRVUGLBYLJBRTH-TUKIKUTGSA-N 1 2 321.425 0.904 10 0 DCAELO Cc1nn(C)cc1[C@H](C)NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000285313816 131157316 /nfs/dbraw/zinc/15/73/16/131157316.db2.gz HRVUGLBYLJBRTH-TUKIKUTGSA-N 1 2 321.425 0.904 10 0 DCAELO Cc1nn(C)c(C)c1CNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000285554170 131180091 /nfs/dbraw/zinc/18/00/91/131180091.db2.gz VHEZRVROBOYNCA-GJZGRUSLSA-N 1 2 321.425 0.651 10 0 DCAELO Cc1nn(C)c(C)c1CNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000285554170 131180092 /nfs/dbraw/zinc/18/00/92/131180092.db2.gz VHEZRVROBOYNCA-GJZGRUSLSA-N 1 2 321.425 0.651 10 0 DCAELO Nc1nc(N)c2cc(S(=O)(=O)N3CCCCC3)ccc2[nH+]1 ZINC000029416138 395698259 /nfs/dbraw/zinc/69/82/59/395698259.db2.gz PEKBXLPDMLWTFU-UHFFFAOYSA-N 1 2 307.379 0.969 10 0 DCAELO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)C2CCCC2)CC1 ZINC000044738093 395758260 /nfs/dbraw/zinc/75/82/60/395758260.db2.gz JHDVEOZTIXMGPW-AWEZNQCLSA-N 1 2 323.437 0.568 10 0 DCAELO C[C@H](NC(=O)Nc1ccccc1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000194637414 395803718 /nfs/dbraw/zinc/80/37/18/395803718.db2.gz HGZQNWBGESJDMD-JSGCOSHPSA-N 1 2 320.393 0.643 10 0 DCAELO C[C@H](NC(=O)Nc1ccccc1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000194637414 395803722 /nfs/dbraw/zinc/80/37/22/395803722.db2.gz HGZQNWBGESJDMD-JSGCOSHPSA-N 1 2 320.393 0.643 10 0 DCAELO CCc1[nH]c(C(=O)NC[C@H]2C[N@H+](C)CCO2)c(C)c1C(=O)OC ZINC000194725060 395806076 /nfs/dbraw/zinc/80/60/76/395806076.db2.gz CQMUZAFQZGEOOV-NSHDSACASA-N 1 2 323.393 0.733 10 0 DCAELO CCc1[nH]c(C(=O)NC[C@H]2C[N@@H+](C)CCO2)c(C)c1C(=O)OC ZINC000194725060 395806079 /nfs/dbraw/zinc/80/60/79/395806079.db2.gz CQMUZAFQZGEOOV-NSHDSACASA-N 1 2 323.393 0.733 10 0 DCAELO CS(=O)(=O)N1CCC[C@@H](C[N@H+](CCO)CC(F)F)C1 ZINC000194855587 395810366 /nfs/dbraw/zinc/81/03/66/395810366.db2.gz UHDRUWOUSXPBMY-JTQLQIEISA-N 1 2 300.371 0.217 10 0 DCAELO CS(=O)(=O)N1CCC[C@@H](C[N@@H+](CCO)CC(F)F)C1 ZINC000194855587 395810368 /nfs/dbraw/zinc/81/03/68/395810368.db2.gz UHDRUWOUSXPBMY-JTQLQIEISA-N 1 2 300.371 0.217 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(F)c(F)c2)C1 ZINC000118115842 395859736 /nfs/dbraw/zinc/85/97/36/395859736.db2.gz JNJDEAIAUVKJIN-JTQLQIEISA-N 1 2 313.304 0.350 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(F)c(F)c2)C1 ZINC000118115842 395859740 /nfs/dbraw/zinc/85/97/40/395859740.db2.gz JNJDEAIAUVKJIN-JTQLQIEISA-N 1 2 313.304 0.350 10 0 DCAELO Cc1cc(C)c(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCO2)c(C)c1 ZINC000118115814 395859939 /nfs/dbraw/zinc/85/99/39/395859939.db2.gz BRMMNHBAKBXODG-AWEZNQCLSA-N 1 2 319.405 0.997 10 0 DCAELO Cc1cc(C)c(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCO2)c(C)c1 ZINC000118115814 395859943 /nfs/dbraw/zinc/85/99/43/395859943.db2.gz BRMMNHBAKBXODG-AWEZNQCLSA-N 1 2 319.405 0.997 10 0 DCAELO Cc1cc(F)ccc1NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000118115355 395860007 /nfs/dbraw/zinc/86/00/07/395860007.db2.gz RQLRAARSNWYUSL-GFCCVEGCSA-N 1 2 309.341 0.519 10 0 DCAELO Cc1cc(F)ccc1NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000118115355 395860012 /nfs/dbraw/zinc/86/00/12/395860012.db2.gz RQLRAARSNWYUSL-GFCCVEGCSA-N 1 2 309.341 0.519 10 0 DCAELO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCCN(c2ccccc2)C1=O ZINC000115570339 395840784 /nfs/dbraw/zinc/84/07/84/395840784.db2.gz FNUVRMKEIHMRLS-LBPRGKRZSA-N 1 2 304.350 0.309 10 0 DCAELO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCCN(c2ccccc2)C1=O ZINC000115570339 395840787 /nfs/dbraw/zinc/84/07/87/395840787.db2.gz FNUVRMKEIHMRLS-LBPRGKRZSA-N 1 2 304.350 0.309 10 0 DCAELO Cc1ccc(F)c(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000118115272 395860382 /nfs/dbraw/zinc/86/03/82/395860382.db2.gz MVYMQFSVDUDAOU-NSHDSACASA-N 1 2 309.341 0.519 10 0 DCAELO Cc1ccc(F)c(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000118115272 395860385 /nfs/dbraw/zinc/86/03/85/395860385.db2.gz MVYMQFSVDUDAOU-NSHDSACASA-N 1 2 309.341 0.519 10 0 DCAELO CS(=O)(=O)N[C@@H]1CC[N@H+](C[C@H](O)c2ccc(F)cc2F)C1 ZINC000116892079 395849067 /nfs/dbraw/zinc/84/90/67/395849067.db2.gz VOERAMHDFJEOFL-MFKMUULPSA-N 1 2 320.361 0.622 10 0 DCAELO CS(=O)(=O)N[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(F)cc2F)C1 ZINC000116892079 395849068 /nfs/dbraw/zinc/84/90/68/395849068.db2.gz VOERAMHDFJEOFL-MFKMUULPSA-N 1 2 320.361 0.622 10 0 DCAELO Cc1ccccc1C(=O)NCC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000194629021 395802160 /nfs/dbraw/zinc/80/21/60/395802160.db2.gz WBJDTMNDLYKTQO-CYBMUJFWSA-N 1 2 305.378 0.172 10 0 DCAELO Cc1ccccc1C(=O)NCC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000194629021 395802161 /nfs/dbraw/zinc/80/21/61/395802161.db2.gz WBJDTMNDLYKTQO-CYBMUJFWSA-N 1 2 305.378 0.172 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)c2cnn(Cc3ccccc3)c2)C1 ZINC000194626729 395802241 /nfs/dbraw/zinc/80/22/41/395802241.db2.gz RQXCZRUICRMBQJ-MRXNPFEDSA-N 1 2 314.389 0.992 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)c2cnn(Cc3ccccc3)c2)C1 ZINC000194626729 395802245 /nfs/dbraw/zinc/80/22/45/395802245.db2.gz RQXCZRUICRMBQJ-MRXNPFEDSA-N 1 2 314.389 0.992 10 0 DCAELO C[C@H](C(=O)NCCc1ccc(F)cc1)[N@@H+]1CCNC(=O)CC1 ZINC000054867682 395907778 /nfs/dbraw/zinc/90/77/78/395907778.db2.gz ZJOGNYOGEYUQFL-GFCCVEGCSA-N 1 2 307.369 0.695 10 0 DCAELO C[C@H](C(=O)NCCc1ccc(F)cc1)[N@H+]1CCNC(=O)CC1 ZINC000054867682 395907781 /nfs/dbraw/zinc/90/77/81/395907781.db2.gz ZJOGNYOGEYUQFL-GFCCVEGCSA-N 1 2 307.369 0.695 10 0 DCAELO Cn1ncc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)c1Br ZINC000273289250 395912266 /nfs/dbraw/zinc/91/22/66/395912266.db2.gz XTVSSDQHQIWZJE-MRVPVSSYSA-N 1 2 317.187 0.243 10 0 DCAELO Cn1ncc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1Br ZINC000273289250 395912270 /nfs/dbraw/zinc/91/22/70/395912270.db2.gz XTVSSDQHQIWZJE-MRVPVSSYSA-N 1 2 317.187 0.243 10 0 DCAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1cc(F)cc2[nH]cnc21 ZINC000129395848 395919551 /nfs/dbraw/zinc/91/95/51/395919551.db2.gz CSJNAXBMQAELQR-NSHDSACASA-N 1 2 322.340 0.125 10 0 DCAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1cc(F)cc2nc[nH]c21 ZINC000129395848 395919554 /nfs/dbraw/zinc/91/95/54/395919554.db2.gz CSJNAXBMQAELQR-NSHDSACASA-N 1 2 322.340 0.125 10 0 DCAELO CCCOc1cccc(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000129247152 395919790 /nfs/dbraw/zinc/91/97/90/395919790.db2.gz AWVMFOXWPPQHAI-OAHLLOKOSA-N 1 2 322.405 0.898 10 0 DCAELO CC(=O)NCC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245663676 395933407 /nfs/dbraw/zinc/93/34/07/395933407.db2.gz IEQIMBSOHWEDTL-ZFWWWQNUSA-N 1 2 311.332 0.962 10 0 DCAELO CC(=O)NCC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245663676 395933410 /nfs/dbraw/zinc/93/34/10/395933410.db2.gz IEQIMBSOHWEDTL-ZFWWWQNUSA-N 1 2 311.332 0.962 10 0 DCAELO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CC(=O)NCc1cccnc1 ZINC000248859940 395998591 /nfs/dbraw/zinc/99/85/91/395998591.db2.gz RXSFSLLTNZOVFM-LZWOXQAQSA-N 1 2 317.389 0.971 10 0 DCAELO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CC(=O)NCc1cccnc1 ZINC000248859940 395998592 /nfs/dbraw/zinc/99/85/92/395998592.db2.gz RXSFSLLTNZOVFM-LZWOXQAQSA-N 1 2 317.389 0.971 10 0 DCAELO C[C@@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000245830766 395936754 /nfs/dbraw/zinc/93/67/54/395936754.db2.gz SEJRILINPRIFCR-WDEREUQCSA-N 1 2 317.401 0.509 10 0 DCAELO C[C@@H](c1nc(N)nc(N(C)C)n1)[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000245830766 395936755 /nfs/dbraw/zinc/93/67/55/395936755.db2.gz SEJRILINPRIFCR-WDEREUQCSA-N 1 2 317.401 0.509 10 0 DCAELO CCOCC[N@@H+]1CCN(C(=O)C(=O)c2cnn(CC)c2)C[C@@H]1C ZINC000135094447 395937228 /nfs/dbraw/zinc/93/72/28/395937228.db2.gz ZLVMKAYSQZHIGJ-ZDUSSCGKSA-N 1 2 322.409 0.655 10 0 DCAELO CCOCC[N@H+]1CCN(C(=O)C(=O)c2cnn(CC)c2)C[C@@H]1C ZINC000135094447 395937229 /nfs/dbraw/zinc/93/72/29/395937229.db2.gz ZLVMKAYSQZHIGJ-ZDUSSCGKSA-N 1 2 322.409 0.655 10 0 DCAELO O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@@H]1CCCN1c1nccs1 ZINC000246074277 395941116 /nfs/dbraw/zinc/94/11/16/395941116.db2.gz DTXWIXICTUAQTP-STQMWFEESA-N 1 2 321.450 0.228 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2c3ccccc3C[C@H]2O)C1 ZINC000246360502 395948061 /nfs/dbraw/zinc/94/80/61/395948061.db2.gz FBWYYQIRYHYRGN-BPLDGKMQSA-N 1 2 305.378 0.275 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2c3ccccc3C[C@H]2O)C1 ZINC000246360502 395948063 /nfs/dbraw/zinc/94/80/63/395948063.db2.gz FBWYYQIRYHYRGN-BPLDGKMQSA-N 1 2 305.378 0.275 10 0 DCAELO CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(c2nccc(OC)n2)CC1 ZINC000140241570 395956205 /nfs/dbraw/zinc/95/62/05/395956205.db2.gz WLIDLURNPWNGGU-QWHCGFSZSA-N 1 2 321.425 0.910 10 0 DCAELO C[C@H](CNC(=O)N1CC[C@H]2OCCC[C@H]2C1)[NH+]1CCOCC1 ZINC000246924032 395960834 /nfs/dbraw/zinc/96/08/34/395960834.db2.gz KMBBRZKCBBOBTH-QLFBSQMISA-N 1 2 311.426 0.918 10 0 DCAELO Cn1cc(N2CCC[C@H]([N@@H+]3CCO[C@@]4(CCOC4)C3)C2=O)cn1 ZINC000248902525 396000348 /nfs/dbraw/zinc/00/03/48/396000348.db2.gz AMPVYVSVUPLMOP-HOCLYGCPSA-N 1 2 320.393 0.407 10 0 DCAELO Cn1cc(N2CCC[C@H]([N@H+]3CCO[C@@]4(CCOC4)C3)C2=O)cn1 ZINC000248902525 396000350 /nfs/dbraw/zinc/00/03/50/396000350.db2.gz AMPVYVSVUPLMOP-HOCLYGCPSA-N 1 2 320.393 0.407 10 0 DCAELO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)[C@H]1CSCCS1 ZINC000247264105 395970933 /nfs/dbraw/zinc/97/09/33/395970933.db2.gz VORLECSLBXAIBF-NWDGAFQWSA-N 1 2 302.465 0.814 10 0 DCAELO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)[C@H]1CSCCS1 ZINC000247264105 395970935 /nfs/dbraw/zinc/97/09/35/395970935.db2.gz VORLECSLBXAIBF-NWDGAFQWSA-N 1 2 302.465 0.814 10 0 DCAELO CNC(=O)[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2Cl)CCO1 ZINC000248572216 395989374 /nfs/dbraw/zinc/98/93/74/395989374.db2.gz RNYASSXDZMXEHJ-OLZOCXBDSA-N 1 2 316.760 0.959 10 0 DCAELO CNC(=O)[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2Cl)CCO1 ZINC000248572216 395989377 /nfs/dbraw/zinc/98/93/77/395989377.db2.gz RNYASSXDZMXEHJ-OLZOCXBDSA-N 1 2 316.760 0.959 10 0 DCAELO COC(=O)[C@@H](C)CS(=O)(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000151808217 395993403 /nfs/dbraw/zinc/99/34/03/395993403.db2.gz UJLHLGFMWVQCIM-NWDGAFQWSA-N 1 2 304.412 0.295 10 0 DCAELO COC(=O)[C@@H](C)CS(=O)(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000151808217 395993407 /nfs/dbraw/zinc/99/34/07/395993407.db2.gz UJLHLGFMWVQCIM-NWDGAFQWSA-N 1 2 304.412 0.295 10 0 DCAELO CC[C@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)NC)CCN1CC(F)F ZINC000153386432 396024157 /nfs/dbraw/zinc/02/41/57/396024157.db2.gz HZCAUYBPJQWJLY-UWVGGRQHSA-N 1 2 306.357 0.492 10 0 DCAELO CC[C@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)NC)CCN1CC(F)F ZINC000153386432 396024160 /nfs/dbraw/zinc/02/41/60/396024160.db2.gz HZCAUYBPJQWJLY-UWVGGRQHSA-N 1 2 306.357 0.492 10 0 DCAELO O=S(=O)(c1cncc(F)c1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261837632 396071197 /nfs/dbraw/zinc/07/11/97/396071197.db2.gz ZLCMJTTUEAAEEC-CQSZACIVSA-N 1 2 322.365 0.951 10 0 DCAELO O=C(CCCOc1ccccc1)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000154127930 396032071 /nfs/dbraw/zinc/03/20/71/396032071.db2.gz SOSQMGQGIYRETE-OAHLLOKOSA-N 1 2 322.405 0.655 10 0 DCAELO Cc1ccccc1SCC(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000154131221 396032445 /nfs/dbraw/zinc/03/24/45/396032445.db2.gz HHMQEEIWHLIQCZ-AWEZNQCLSA-N 1 2 324.446 0.896 10 0 DCAELO C[S@@](=O)CCC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000155790742 396057207 /nfs/dbraw/zinc/05/72/07/396057207.db2.gz IHUMPHNKXMOREM-RBZFPXEDSA-N 1 2 302.440 0.468 10 0 DCAELO NC(=O)[C@@H]1CCC[N@@H+]1CC(=O)NCCN1CCc2ccccc21 ZINC000249734099 396012337 /nfs/dbraw/zinc/01/23/37/396012337.db2.gz VFXJMZDFGYLUMW-HNNXBMFYSA-N 1 2 316.405 0.115 10 0 DCAELO NC(=O)[C@@H]1CCC[N@H+]1CC(=O)NCCN1CCc2ccccc21 ZINC000249734099 396012340 /nfs/dbraw/zinc/01/23/40/396012340.db2.gz VFXJMZDFGYLUMW-HNNXBMFYSA-N 1 2 316.405 0.115 10 0 DCAELO COc1ccc2c(c1)OC[C@@H](C(=O)NC[C@@H]1C[N@H+](C)CCO1)C2 ZINC000250564655 396014867 /nfs/dbraw/zinc/01/48/67/396014867.db2.gz SXIHFQUUWOHBBC-DZGCQCFKSA-N 1 2 320.389 0.693 10 0 DCAELO COc1ccc2c(c1)OC[C@@H](C(=O)NC[C@@H]1C[N@@H+](C)CCO1)C2 ZINC000250564655 396014871 /nfs/dbraw/zinc/01/48/71/396014871.db2.gz SXIHFQUUWOHBBC-DZGCQCFKSA-N 1 2 320.389 0.693 10 0 DCAELO O[C@@]1(C(F)(F)F)CCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000277845271 396090771 /nfs/dbraw/zinc/09/07/71/396090771.db2.gz QLXLHPMVLGCFCS-LBPRGKRZSA-N 1 2 318.299 0.817 10 0 DCAELO O[C@@]1(C(F)(F)F)CCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000277845271 396090773 /nfs/dbraw/zinc/09/07/73/396090773.db2.gz QLXLHPMVLGCFCS-LBPRGKRZSA-N 1 2 318.299 0.817 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2csc(-c3cnccn3)n2)C1 ZINC000170853807 396098532 /nfs/dbraw/zinc/09/85/32/396098532.db2.gz LATABQWNGDEXPO-JTQLQIEISA-N 1 2 319.390 0.661 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)c2csc(-c3cnccn3)n2)C1 ZINC000170853807 396098535 /nfs/dbraw/zinc/09/85/35/396098535.db2.gz LATABQWNGDEXPO-JTQLQIEISA-N 1 2 319.390 0.661 10 0 DCAELO COCc1cccc(S(=O)(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000171107165 396107055 /nfs/dbraw/zinc/10/70/55/396107055.db2.gz BOVZTLQJIQJCTB-ZDUSSCGKSA-N 1 2 314.407 0.442 10 0 DCAELO COCc1cccc(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000171107165 396107058 /nfs/dbraw/zinc/10/70/58/396107058.db2.gz BOVZTLQJIQJCTB-ZDUSSCGKSA-N 1 2 314.407 0.442 10 0 DCAELO CCc1nnc(C[N@H+](CCC(=O)OC)C[C@H]2CCCO2)n1C ZINC000172178500 396129442 /nfs/dbraw/zinc/12/94/42/396129442.db2.gz YPMCWCNXTPGSPV-GFCCVEGCSA-N 1 2 310.398 0.922 10 0 DCAELO CCc1nnc(C[N@@H+](CCC(=O)OC)C[C@H]2CCCO2)n1C ZINC000172178500 396129444 /nfs/dbraw/zinc/12/94/44/396129444.db2.gz YPMCWCNXTPGSPV-GFCCVEGCSA-N 1 2 310.398 0.922 10 0 DCAELO COc1ccnc(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c1 ZINC000173880121 396136103 /nfs/dbraw/zinc/13/61/03/396136103.db2.gz BTCVEKQSSCVJFG-WFASDCNBSA-N 1 2 305.378 0.883 10 0 DCAELO C[N@@H+]1CCO[C@H](CN(CC2CC2)c2ccc(C(N)=O)nn2)C1 ZINC000278665552 396137948 /nfs/dbraw/zinc/13/79/48/396137948.db2.gz FPPXNQXZPZTMIY-LBPRGKRZSA-N 1 2 305.382 0.123 10 0 DCAELO C[N@H+]1CCO[C@H](CN(CC2CC2)c2ccc(C(N)=O)nn2)C1 ZINC000278665552 396137954 /nfs/dbraw/zinc/13/79/54/396137954.db2.gz FPPXNQXZPZTMIY-LBPRGKRZSA-N 1 2 305.382 0.123 10 0 DCAELO CC(C)C(=O)N[C@H]1CCCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263232481 396207880 /nfs/dbraw/zinc/20/78/80/396207880.db2.gz NNXRBONICHIOJZ-QWRGUYRKSA-N 1 2 303.353 0.747 10 0 DCAELO Cc1ccc(NC(=O)C(=O)NCCCN2CCCC2=O)c(C)[nH+]1 ZINC000176537804 396156565 /nfs/dbraw/zinc/15/65/65/396156565.db2.gz DVCNWFKBJULPFP-UHFFFAOYSA-N 1 2 318.377 0.766 10 0 DCAELO O=C(CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)NCCc1ccccc1 ZINC000262905165 396190788 /nfs/dbraw/zinc/19/07/88/396190788.db2.gz FBJRCJPWQWCTDJ-LBPRGKRZSA-N 1 2 311.332 0.459 10 0 DCAELO Cc1nnc([C@@H]2CN(C(=O)[C@H]3CC(F)(F)C[NH2+]3)CCO2)[nH]1 ZINC000262960293 396194559 /nfs/dbraw/zinc/19/45/59/396194559.db2.gz KRVBEFZGXZXGRE-BDAKNGLRSA-N 1 2 301.297 0.010 10 0 DCAELO Cc1nc([C@@H]2CN(C(=O)[C@H]3CC(F)(F)C[NH2+]3)CCO2)n[nH]1 ZINC000262960293 396194562 /nfs/dbraw/zinc/19/45/62/396194562.db2.gz KRVBEFZGXZXGRE-BDAKNGLRSA-N 1 2 301.297 0.010 10 0 DCAELO O=C(NC[C@H]1CCN(CC(F)(F)F)C1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263097202 396201280 /nfs/dbraw/zinc/20/12/80/396201280.db2.gz YZKFVUPVUKLFDP-BDAKNGLRSA-N 1 2 315.286 0.984 10 0 DCAELO O=C(CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)NCC1CC1 ZINC000183775208 396274677 /nfs/dbraw/zinc/27/46/77/396274677.db2.gz OBDVWSGQCSWCBZ-CQSZACIVSA-N 1 2 324.425 0.019 10 0 DCAELO COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC000179936144 396229701 /nfs/dbraw/zinc/22/97/01/396229701.db2.gz PLOAPSHCYUKDNF-JTQLQIEISA-N 1 2 309.341 0.443 10 0 DCAELO CCc1cccc(OC[C@H](O)C[NH+]2CC(NC(=O)COC)C2)c1 ZINC000185087329 396316900 /nfs/dbraw/zinc/31/69/00/396316900.db2.gz LBQQHCYVXYHMGQ-OAHLLOKOSA-N 1 2 322.405 0.436 10 0 DCAELO Cc1cc(NC(=O)C[N@@H+]2C[C@@H](O)C[C@@H]2CO)n(C(C)(C)C)n1 ZINC000185190929 396321080 /nfs/dbraw/zinc/32/10/80/396321080.db2.gz CIJUOCDFNVHOFO-NEPJUHHUSA-N 1 2 310.398 0.313 10 0 DCAELO Cc1cc(NC(=O)C[N@H+]2C[C@@H](O)C[C@@H]2CO)n(C(C)(C)C)n1 ZINC000185190929 396321083 /nfs/dbraw/zinc/32/10/83/396321083.db2.gz CIJUOCDFNVHOFO-NEPJUHHUSA-N 1 2 310.398 0.313 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNc2cc(C(F)(F)F)nc3ncnn32)C1 ZINC000264514675 396286786 /nfs/dbraw/zinc/28/67/86/396286786.db2.gz OFNZKXOGVDYLEK-QMMMGPOBSA-N 1 2 316.287 0.886 10 0 DCAELO C[N@H+]1CCO[C@@H](CNc2cc(C(F)(F)F)nc3ncnn32)C1 ZINC000264514675 396286788 /nfs/dbraw/zinc/28/67/88/396286788.db2.gz OFNZKXOGVDYLEK-QMMMGPOBSA-N 1 2 316.287 0.886 10 0 DCAELO O=C(NCC(F)(F)CO)NC1CCN(c2cccc[nH+]2)CC1 ZINC000184380170 396293141 /nfs/dbraw/zinc/29/31/41/396293141.db2.gz BZFJFMJACJCAAD-UHFFFAOYSA-N 1 2 314.336 0.977 10 0 DCAELO COC[C@@H]([NH2+][C@H](C)C(=O)N(C)CC(=O)NC1CC1)c1ccco1 ZINC000184546817 396298516 /nfs/dbraw/zinc/29/85/16/396298516.db2.gz OIVZFVCNXXKQOZ-DGCLKSJQSA-N 1 2 323.393 0.682 10 0 DCAELO COCCCCS(=O)(=O)N1CC[N@H+](CCOC)[C@H](C)C1 ZINC000184749107 396305163 /nfs/dbraw/zinc/30/51/63/396305163.db2.gz ZRSQMHXAZXJLHM-CYBMUJFWSA-N 1 2 308.444 0.395 10 0 DCAELO COCCCCS(=O)(=O)N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000184749107 396305166 /nfs/dbraw/zinc/30/51/66/396305166.db2.gz ZRSQMHXAZXJLHM-CYBMUJFWSA-N 1 2 308.444 0.395 10 0 DCAELO COC(=O)CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1C[C@H]1C(C)C ZINC000185452493 396328094 /nfs/dbraw/zinc/32/80/94/396328094.db2.gz HGNRDKWOWHDJCI-UONOGXRCSA-N 1 2 312.410 0.612 10 0 DCAELO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000265708560 396338476 /nfs/dbraw/zinc/33/84/76/396338476.db2.gz VBYLUFUUFGEOFS-GHMZBOCLSA-N 1 2 300.384 0.100 10 0 DCAELO Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C)on1 ZINC000285962630 396365754 /nfs/dbraw/zinc/36/57/54/396365754.db2.gz NNHZGDSAOUOTPN-AXFHLTTASA-N 1 2 307.354 0.408 10 0 DCAELO Cc1cc(NC(=O)[C@H](C)[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C)on1 ZINC000285962630 396365756 /nfs/dbraw/zinc/36/57/56/396365756.db2.gz NNHZGDSAOUOTPN-AXFHLTTASA-N 1 2 307.354 0.408 10 0 DCAELO CN1CC[C@@H](C(=O)N2CCCN(c3cccc[nH+]3)CC2)CC1=O ZINC000186395710 396349215 /nfs/dbraw/zinc/34/92/15/396349215.db2.gz VNCSSCJENYUYSQ-CQSZACIVSA-N 1 2 316.405 0.989 10 0 DCAELO C[C@H](C(=O)N1CCCN(c2cccc[nH+]2)CC1)S(C)(=O)=O ZINC000186394908 396349259 /nfs/dbraw/zinc/34/92/59/396349259.db2.gz KVBDDCFRDAPYCI-GFCCVEGCSA-N 1 2 311.407 0.553 10 0 DCAELO CNC(=O)C1(C(=O)N2CCCN(c3cccc[nH+]3)CC2)CC1 ZINC000186446610 396349915 /nfs/dbraw/zinc/34/99/15/396349915.db2.gz FXJWZNHNTQHWRR-UHFFFAOYSA-N 1 2 302.378 0.647 10 0 DCAELO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1cn2ccnc2s1 ZINC000188501900 396382931 /nfs/dbraw/zinc/38/29/31/396382931.db2.gz LBFUDMSIZVSLMF-LLVKDONJSA-N 1 2 306.391 0.989 10 0 DCAELO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1cn2ccnc2s1 ZINC000188501900 396382933 /nfs/dbraw/zinc/38/29/33/396382933.db2.gz LBFUDMSIZVSLMF-LLVKDONJSA-N 1 2 306.391 0.989 10 0 DCAELO CC(C)[C@@H](CNC(=O)[C@H]1C[C@H](F)C[NH2+]1)[NH+]1CCN(C)CC1 ZINC000188923626 396388678 /nfs/dbraw/zinc/38/86/78/396388678.db2.gz MVMMFDVVNHBKMO-BFHYXJOUSA-N 1 2 300.422 0.075 10 0 DCAELO Cc1nn(C)cc1NC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000189707478 396397886 /nfs/dbraw/zinc/39/78/86/396397886.db2.gz UHHYOCNWYXURKU-FZMZJTMJSA-N 1 2 307.398 0.913 10 0 DCAELO CCN1CN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1=O ZINC000190032694 396402331 /nfs/dbraw/zinc/40/23/31/396402331.db2.gz LMQPUJJVCLWWPS-LBPRGKRZSA-N 1 2 303.366 0.492 10 0 DCAELO COCCN1CCC[N@H+](CC(=O)N2CCCC[C@H]2C)CC1=O ZINC000190764324 396411076 /nfs/dbraw/zinc/41/10/76/396411076.db2.gz WERBALUMBRBMAH-CQSZACIVSA-N 1 2 311.426 0.568 10 0 DCAELO COCCN1CCC[N@@H+](CC(=O)N2CCCC[C@H]2C)CC1=O ZINC000190764324 396411080 /nfs/dbraw/zinc/41/10/80/396411080.db2.gz WERBALUMBRBMAH-CQSZACIVSA-N 1 2 311.426 0.568 10 0 DCAELO COc1ccnc(NC2CC[NH+](Cc3ncnn3C)CC2)n1 ZINC000192861994 396438702 /nfs/dbraw/zinc/43/87/02/396438702.db2.gz IZRXRHXFKIADDR-UHFFFAOYSA-N 1 2 303.370 0.690 10 0 DCAELO CN(c1nc(C[N@@H+]2CCC[C@](O)(C(N)=O)C2)cs1)C1CC1 ZINC000515145692 396499771 /nfs/dbraw/zinc/49/97/71/396499771.db2.gz AHVKCJSSMMBUMX-CQSZACIVSA-N 1 2 310.423 0.554 10 0 DCAELO CN(c1nc(C[N@H+]2CCC[C@](O)(C(N)=O)C2)cs1)C1CC1 ZINC000515145692 396499774 /nfs/dbraw/zinc/49/97/74/396499774.db2.gz AHVKCJSSMMBUMX-CQSZACIVSA-N 1 2 310.423 0.554 10 0 DCAELO CN(c1nc(C[N@@H+]2CCC[C@@](O)(C(N)=O)C2)cs1)C1CC1 ZINC000515145691 396499945 /nfs/dbraw/zinc/49/99/45/396499945.db2.gz AHVKCJSSMMBUMX-AWEZNQCLSA-N 1 2 310.423 0.554 10 0 DCAELO CN(c1nc(C[N@H+]2CCC[C@@](O)(C(N)=O)C2)cs1)C1CC1 ZINC000515145691 396499949 /nfs/dbraw/zinc/49/99/49/396499949.db2.gz AHVKCJSSMMBUMX-AWEZNQCLSA-N 1 2 310.423 0.554 10 0 DCAELO Cn1cc[nH+]c1[C@H]1CN(c2ccnc(C(N)=O)c2)CCN1C ZINC000373669620 396606519 /nfs/dbraw/zinc/60/65/19/396606519.db2.gz CJJZWULGTVBYFH-CYBMUJFWSA-N 1 2 300.366 0.407 10 0 DCAELO CCNC(=O)N1CC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000373727117 396610322 /nfs/dbraw/zinc/61/03/22/396610322.db2.gz KNAVHIKHRDVMLS-VXGBXAGGSA-N 1 2 305.382 0.366 10 0 DCAELO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)[C@H]1CCc2n[nH]nc2C1 ZINC000375461171 396749289 /nfs/dbraw/zinc/74/92/89/396749289.db2.gz RJBQBSOENUZAHD-LBPRGKRZSA-N 1 2 321.425 0.479 10 0 DCAELO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)[C@H]1CCc2n[nH]nc2C1 ZINC000375461171 396749294 /nfs/dbraw/zinc/74/92/94/396749294.db2.gz RJBQBSOENUZAHD-LBPRGKRZSA-N 1 2 321.425 0.479 10 0 DCAELO Cc1nnc([C@@H]2CCCC[N@@H+]2C[C@H](O)CN2CCCC2=O)[nH]1 ZINC000328670495 396830984 /nfs/dbraw/zinc/83/09/84/396830984.db2.gz MQUCULRSTGNYMA-STQMWFEESA-N 1 2 307.398 0.623 10 0 DCAELO Cc1nnc([C@@H]2CCCC[N@H+]2C[C@H](O)CN2CCCC2=O)[nH]1 ZINC000328670495 396830993 /nfs/dbraw/zinc/83/09/93/396830993.db2.gz MQUCULRSTGNYMA-STQMWFEESA-N 1 2 307.398 0.623 10 0 DCAELO O=C(CCCN1C(=O)CNC1=O)Nc1ccc2[nH+]ccn2c1 ZINC000603884533 397625299 /nfs/dbraw/zinc/62/52/99/397625299.db2.gz HXVOUASBTFWXBS-UHFFFAOYSA-N 1 2 301.306 0.605 10 0 DCAELO CC(=O)NCCNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000047822835 158004068 /nfs/dbraw/zinc/00/40/68/158004068.db2.gz ZYPQSFMTHGCTTN-UHFFFAOYSA-N 1 2 305.382 0.486 10 0 DCAELO CC(C)c1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000051581883 158015006 /nfs/dbraw/zinc/01/50/06/158015006.db2.gz GKHQWPSMKZHZLF-BBRMVZONSA-N 1 2 322.405 0.736 10 0 DCAELO CC(C)c1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000051581883 158015008 /nfs/dbraw/zinc/01/50/08/158015008.db2.gz GKHQWPSMKZHZLF-BBRMVZONSA-N 1 2 322.405 0.736 10 0 DCAELO Cc1cccc(OCCNC(=O)C[N@@H+]2CCNC(=O)CC2)c1 ZINC000054258424 158020481 /nfs/dbraw/zinc/02/04/81/158020481.db2.gz MBLWQFXKKMDGTH-UHFFFAOYSA-N 1 2 305.378 0.312 10 0 DCAELO Cc1cccc(OCCNC(=O)C[N@H+]2CCNC(=O)CC2)c1 ZINC000054258424 158020484 /nfs/dbraw/zinc/02/04/84/158020484.db2.gz MBLWQFXKKMDGTH-UHFFFAOYSA-N 1 2 305.378 0.312 10 0 DCAELO C[C@H]1CCCN(S(=O)(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000066104075 158034024 /nfs/dbraw/zinc/03/40/24/158034024.db2.gz NTMWLRMJDYBFFR-ZDUSSCGKSA-N 1 2 305.444 0.227 10 0 DCAELO CCOCc1ccccc1CNC(=O)C[N@@H+]1CCNC(=O)CC1 ZINC000065954617 158034446 /nfs/dbraw/zinc/03/44/46/158034446.db2.gz PXMZJICEBALUEV-UHFFFAOYSA-N 1 2 319.405 0.661 10 0 DCAELO CCOCc1ccccc1CNC(=O)C[N@H+]1CCNC(=O)CC1 ZINC000065954617 158034447 /nfs/dbraw/zinc/03/44/47/158034447.db2.gz PXMZJICEBALUEV-UHFFFAOYSA-N 1 2 319.405 0.661 10 0 DCAELO COCCc1noc(CN2CCCC[C@H]2C[NH+]2CCOCC2)n1 ZINC000109819367 158138175 /nfs/dbraw/zinc/13/81/75/158138175.db2.gz DNMAYWIRIHAAEN-AWEZNQCLSA-N 1 2 324.425 0.945 10 0 DCAELO COCCc1noc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)n1 ZINC000109819367 158138179 /nfs/dbraw/zinc/13/81/79/158138179.db2.gz DNMAYWIRIHAAEN-AWEZNQCLSA-N 1 2 324.425 0.945 10 0 DCAELO COCCc1noc(C[N@H+]2CCCC[C@H]2CN2CCOCC2)n1 ZINC000109819367 158138183 /nfs/dbraw/zinc/13/81/83/158138183.db2.gz DNMAYWIRIHAAEN-AWEZNQCLSA-N 1 2 324.425 0.945 10 0 DCAELO O=C(Cc1cn2ccccc2n1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000114854587 158157901 /nfs/dbraw/zinc/15/79/01/158157901.db2.gz ATUKEDBBUSBVBK-OAHLLOKOSA-N 1 2 314.389 0.856 10 0 DCAELO O=C(Cc1cn2ccccc2n1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000114854587 158157902 /nfs/dbraw/zinc/15/79/02/158157902.db2.gz ATUKEDBBUSBVBK-OAHLLOKOSA-N 1 2 314.389 0.856 10 0 DCAELO CCC(CC)NC(=O)[C@H](C)[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116890953 158168745 /nfs/dbraw/zinc/16/87/45/158168745.db2.gz FUXWFSWFIISZBZ-JQWIXIFHSA-N 1 2 305.444 0.303 10 0 DCAELO CCC(CC)NC(=O)[C@H](C)[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116890953 158168746 /nfs/dbraw/zinc/16/87/46/158168746.db2.gz FUXWFSWFIISZBZ-JQWIXIFHSA-N 1 2 305.444 0.303 10 0 DCAELO CCC(CC)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116890951 158169042 /nfs/dbraw/zinc/16/90/42/158169042.db2.gz FUXWFSWFIISZBZ-PWSUYJOCSA-N 1 2 305.444 0.303 10 0 DCAELO CCC(CC)NC(=O)[C@@H](C)[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116890951 158169044 /nfs/dbraw/zinc/16/90/44/158169044.db2.gz FUXWFSWFIISZBZ-PWSUYJOCSA-N 1 2 305.444 0.303 10 0 DCAELO CCOCC[N@@H+]1CCN(C(=O)C(=O)c2cnn(C)c2)C[C@@H]1C ZINC000117277104 158170533 /nfs/dbraw/zinc/17/05/33/158170533.db2.gz QRLMOJKTKSXWFT-LBPRGKRZSA-N 1 2 308.382 0.172 10 0 DCAELO CCOCC[N@H+]1CCN(C(=O)C(=O)c2cnn(C)c2)C[C@@H]1C ZINC000117277104 158170536 /nfs/dbraw/zinc/17/05/36/158170536.db2.gz QRLMOJKTKSXWFT-LBPRGKRZSA-N 1 2 308.382 0.172 10 0 DCAELO C[C@H]1CN(C[C@H](O)C[NH+]2CCOCC2)c2ccccc2NC1=O ZINC000126608615 158266780 /nfs/dbraw/zinc/26/67/80/158266780.db2.gz UBKZTAFMTWTEOU-UONOGXRCSA-N 1 2 319.405 0.774 10 0 DCAELO O=C(Nc1cccc(CN2CCOCC2)c1)[C@H]1COCC[NH2+]1 ZINC000165948055 158366090 /nfs/dbraw/zinc/36/60/90/158366090.db2.gz NMFYVRHBUXXCDX-OAHLLOKOSA-N 1 2 305.378 0.446 10 0 DCAELO COC(C)(C)C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000171664912 158385634 /nfs/dbraw/zinc/38/56/34/158385634.db2.gz IXHURUANIUFXRP-UHFFFAOYSA-N 1 2 311.426 0.568 10 0 DCAELO COC(C)(C)C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000171664912 158385636 /nfs/dbraw/zinc/38/56/36/158385636.db2.gz IXHURUANIUFXRP-UHFFFAOYSA-N 1 2 311.426 0.568 10 0 DCAELO CN1CC[C@H](NC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000172356321 158393957 /nfs/dbraw/zinc/39/39/57/158393957.db2.gz NSCHIKCJFLHRAZ-ZDUSSCGKSA-N 1 2 317.393 0.580 10 0 DCAELO CCOC1CC(CNC(=O)C(C)(C)OC)([NH+]2CCOCC2)C1 ZINC000195183826 158605718 /nfs/dbraw/zinc/60/57/18/158605718.db2.gz YBTDBPJMLGKDRZ-UHFFFAOYSA-N 1 2 314.426 0.798 10 0 DCAELO Cc1noc([C@H](C)N2CC[NH+]([C@H]3CCN(C4CC4)C3=O)CC2)n1 ZINC000328669554 159019544 /nfs/dbraw/zinc/01/95/44/159019544.db2.gz MBUUGFJJMLDBMN-FZMZJTMJSA-N 1 2 319.409 0.820 10 0 DCAELO CC1CCN(S(=O)(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000328841204 159034383 /nfs/dbraw/zinc/03/43/83/159034383.db2.gz PIICOFYOHDPVMP-UONOGXRCSA-N 1 2 317.455 0.368 10 0 DCAELO CC1CCN(S(=O)(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000328841204 159034386 /nfs/dbraw/zinc/03/43/86/159034386.db2.gz PIICOFYOHDPVMP-UONOGXRCSA-N 1 2 317.455 0.368 10 0 DCAELO Cc1cc(C)n([C@H](C)C(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)n1 ZINC000328888410 159038096 /nfs/dbraw/zinc/03/80/96/159038096.db2.gz QBVLQRDTMQWCTN-RBSFLKMASA-N 1 2 306.410 0.992 10 0 DCAELO Cc1cc(C)n([C@H](C)C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)n1 ZINC000328888410 159038099 /nfs/dbraw/zinc/03/80/99/159038099.db2.gz QBVLQRDTMQWCTN-RBSFLKMASA-N 1 2 306.410 0.992 10 0 DCAELO Cc1nn(C)c(C)c1OCC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000328900065 159038557 /nfs/dbraw/zinc/03/85/57/159038557.db2.gz XYBJCTHSNVIPIW-UONOGXRCSA-N 1 2 322.409 0.347 10 0 DCAELO Cc1nn(C)c(C)c1OCC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000328900065 159038560 /nfs/dbraw/zinc/03/85/60/159038560.db2.gz XYBJCTHSNVIPIW-UONOGXRCSA-N 1 2 322.409 0.347 10 0 DCAELO CCC(=O)N1CCC[C@H](C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)C1 ZINC000328902152 159039356 /nfs/dbraw/zinc/03/93/56/159039356.db2.gz GGXHQUAXBIVESS-KKUMJFAQSA-N 1 2 323.437 0.567 10 0 DCAELO CCC(=O)N1CCC[C@H](C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)C1 ZINC000328902152 159039357 /nfs/dbraw/zinc/03/93/57/159039357.db2.gz GGXHQUAXBIVESS-KKUMJFAQSA-N 1 2 323.437 0.567 10 0 DCAELO Cn1nnc2cc(C(=O)N3CC[C@@H]4OCC[N@H+](C)[C@H]4C3)ccc21 ZINC000328923505 159042045 /nfs/dbraw/zinc/04/20/45/159042045.db2.gz UXNZZZMOIGVTSI-GJZGRUSLSA-N 1 2 315.377 0.513 10 0 DCAELO Cn1nnc2cc(C(=O)N3CC[C@@H]4OCC[N@@H+](C)[C@H]4C3)ccc21 ZINC000328923505 159042047 /nfs/dbraw/zinc/04/20/47/159042047.db2.gz UXNZZZMOIGVTSI-GJZGRUSLSA-N 1 2 315.377 0.513 10 0 DCAELO COc1cccc(CC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)n1 ZINC000328958014 159046848 /nfs/dbraw/zinc/04/68/48/159046848.db2.gz OHEDAMWFCVBYCT-KGLIPLIRSA-N 1 2 305.378 0.564 10 0 DCAELO COc1cccc(CC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)n1 ZINC000328958014 159046850 /nfs/dbraw/zinc/04/68/50/159046850.db2.gz OHEDAMWFCVBYCT-KGLIPLIRSA-N 1 2 305.378 0.564 10 0 DCAELO C[C@H]1C[C@@H](C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CCC1=O ZINC000328986230 159050192 /nfs/dbraw/zinc/05/01/92/159050192.db2.gz ZWXNEVGMIUMFTC-KBPBESRZSA-N 1 2 323.437 0.614 10 0 DCAELO O=C(C[N@@H+]1CCN2C(=O)CC[C@@H]2C1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000329047032 159054631 /nfs/dbraw/zinc/05/46/31/159054631.db2.gz QECFBJZWQKOPDK-QLFBSQMISA-N 1 2 321.421 0.463 10 0 DCAELO O=C(C[N@H+]1CCN2C(=O)CC[C@@H]2C1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000329047032 159054632 /nfs/dbraw/zinc/05/46/32/159054632.db2.gz QECFBJZWQKOPDK-QLFBSQMISA-N 1 2 321.421 0.463 10 0 DCAELO C[C@@H](Sc1nnnn1C1CC1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000329058334 159057134 /nfs/dbraw/zinc/05/71/34/159057134.db2.gz UAVVDAVQNHDCHU-SNVBAGLBSA-N 1 2 322.438 0.795 10 0 DCAELO O=C1NC2(CCOCC2)C(=O)N1[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000329193212 159072813 /nfs/dbraw/zinc/07/28/13/159072813.db2.gz TZVONPQQRTVLHH-GFCCVEGCSA-N 1 2 316.361 0.966 10 0 DCAELO O=[S@](CC[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1)c1ccccc1 ZINC000329204682 159073282 /nfs/dbraw/zinc/07/32/82/159073282.db2.gz XPYLETKLMROLOQ-BBEJJTJUSA-N 1 2 313.444 0.913 10 0 DCAELO O=[S@](CC[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1)c1ccccc1 ZINC000329204682 159073283 /nfs/dbraw/zinc/07/32/83/159073283.db2.gz XPYLETKLMROLOQ-BBEJJTJUSA-N 1 2 313.444 0.913 10 0 DCAELO Cc1nccc(CCC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000329210660 159073501 /nfs/dbraw/zinc/07/35/01/159073501.db2.gz ZSEVQPHQKALVTL-GJZGRUSLSA-N 1 2 304.394 0.649 10 0 DCAELO Cc1nccc(CCC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC000329210660 159073503 /nfs/dbraw/zinc/07/35/03/159073503.db2.gz ZSEVQPHQKALVTL-GJZGRUSLSA-N 1 2 304.394 0.649 10 0 DCAELO O=C([C@@H]1CCCO1)N1CC[NH+]([C@@H]2CCN(C3CC3)C2=O)CC1 ZINC000330090966 159141148 /nfs/dbraw/zinc/14/11/48/159141148.db2.gz XHPFHWZRTKFNSA-KGLIPLIRSA-N 1 2 307.394 0.073 10 0 DCAELO Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cn1 ZINC000330235451 159152733 /nfs/dbraw/zinc/15/27/33/159152733.db2.gz YTPWNNZFAMSISL-CYBMUJFWSA-N 1 2 311.407 0.532 10 0 DCAELO Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cn1 ZINC000330235451 159152736 /nfs/dbraw/zinc/15/27/36/159152736.db2.gz YTPWNNZFAMSISL-CYBMUJFWSA-N 1 2 311.407 0.532 10 0 DCAELO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CCNC(=O)[C@@H]1C)CCC2 ZINC000332696202 159210795 /nfs/dbraw/zinc/21/07/95/159210795.db2.gz YBPMAAWEWVOIGZ-NWDGAFQWSA-N 1 2 305.382 0.599 10 0 DCAELO CS(=O)(=O)N1CC[NH+](CCCO[C@H]2CCCCO2)CC1 ZINC000407979777 160001875 /nfs/dbraw/zinc/00/18/75/160001875.db2.gz AWKQOARPADJQRH-ZDUSSCGKSA-N 1 2 306.428 0.497 10 0 DCAELO COC(=O)C(C)(C)CNC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000408019745 160012846 /nfs/dbraw/zinc/01/28/46/160012846.db2.gz ANIXEPFBOCTPQZ-VXGBXAGGSA-N 1 2 313.398 0.300 10 0 DCAELO COC(=O)C(C)(C)CNC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000408019745 160012848 /nfs/dbraw/zinc/01/28/48/160012848.db2.gz ANIXEPFBOCTPQZ-VXGBXAGGSA-N 1 2 313.398 0.300 10 0 DCAELO C[C@H](C[N@@H+]1CCOC[C@@H]1[C@H]1CCCC[C@H]1O)CS(C)(=O)=O ZINC000408043388 160020712 /nfs/dbraw/zinc/02/07/12/160020712.db2.gz KFUKPKYLLLZUCR-KBUPBQIOSA-N 1 2 319.467 0.919 10 0 DCAELO C[C@H](C[N@H+]1CCOC[C@@H]1[C@H]1CCCC[C@H]1O)CS(C)(=O)=O ZINC000408043388 160020715 /nfs/dbraw/zinc/02/07/15/160020715.db2.gz KFUKPKYLLLZUCR-KBUPBQIOSA-N 1 2 319.467 0.919 10 0 DCAELO C[C@H](O)C(=O)N1CCN(c2nc(C3CC3)[nH+]c3c2CCC3)CC1 ZINC000408048202 160023173 /nfs/dbraw/zinc/02/31/73/160023173.db2.gz LTTWWNKIKZIRBE-NSHDSACASA-N 1 2 316.405 0.872 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCc3ccc(O)cc3C2)C1 ZINC000408082432 160032046 /nfs/dbraw/zinc/03/20/46/160032046.db2.gz PTTLMQXUQPKCOJ-HNNXBMFYSA-N 1 2 305.378 0.791 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)N2CCc3ccc(O)cc3C2)C1 ZINC000408082432 160032049 /nfs/dbraw/zinc/03/20/49/160032049.db2.gz PTTLMQXUQPKCOJ-HNNXBMFYSA-N 1 2 305.378 0.791 10 0 DCAELO Cc1ccc(S(=O)(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)o1 ZINC000408099454 160035634 /nfs/dbraw/zinc/03/56/34/160035634.db2.gz WDPBZDLYWZJDJC-CYBMUJFWSA-N 1 2 314.407 0.931 10 0 DCAELO C[C@H]1CCN(S(=O)(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000408142473 160047110 /nfs/dbraw/zinc/04/71/10/160047110.db2.gz XAEZFMQLTODQIT-LBPRGKRZSA-N 1 2 313.427 0.114 10 0 DCAELO COCC[N@@H+]1CCN(S(=O)(=O)N2CCCC[C@@H]2C)C[C@H]1C ZINC000408183778 160054409 /nfs/dbraw/zinc/05/44/09/160054409.db2.gz UEYFKARSQATKAY-UONOGXRCSA-N 1 2 319.471 0.758 10 0 DCAELO COCC[N@H+]1CCN(S(=O)(=O)N2CCCC[C@@H]2C)C[C@H]1C ZINC000408183778 160054412 /nfs/dbraw/zinc/05/44/12/160054412.db2.gz UEYFKARSQATKAY-UONOGXRCSA-N 1 2 319.471 0.758 10 0 DCAELO C[C@H]1C[C@H](C(=O)N2CC[NH+](Cc3ccco3)CC2)CC(=O)N1 ZINC000408197624 160057543 /nfs/dbraw/zinc/05/75/43/160057543.db2.gz KZYSDARKVQTGEE-STQMWFEESA-N 1 2 305.378 0.839 10 0 DCAELO C[C@H]1C[C@@H](C(=O)N2CC[NH+](Cc3ccco3)CC2)CC(=O)N1 ZINC000408197623 160057549 /nfs/dbraw/zinc/05/75/49/160057549.db2.gz KZYSDARKVQTGEE-QWHCGFSZSA-N 1 2 305.378 0.839 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)NC2CCCC2)C[C@@H]1C ZINC000408208346 160060743 /nfs/dbraw/zinc/06/07/43/160060743.db2.gz VZUVMXLWYAQMPB-RYUDHWBXSA-N 1 2 305.444 0.150 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)NC2CCCC2)C[C@@H]1C ZINC000408208346 160060745 /nfs/dbraw/zinc/06/07/45/160060745.db2.gz VZUVMXLWYAQMPB-RYUDHWBXSA-N 1 2 305.444 0.150 10 0 DCAELO C[C@H]1C[N@H+](CCCN2C(=O)NC(C)(C)C2=O)CC[S@]1=O ZINC000408211075 160060869 /nfs/dbraw/zinc/06/08/69/160060869.db2.gz MOYDSRMRPYOIDP-WVDJIFEKSA-N 1 2 301.412 0.160 10 0 DCAELO C[C@H]1C[N@@H+](CCCN2C(=O)NC(C)(C)C2=O)CC[S@]1=O ZINC000408211075 160060871 /nfs/dbraw/zinc/06/08/71/160060871.db2.gz MOYDSRMRPYOIDP-WVDJIFEKSA-N 1 2 301.412 0.160 10 0 DCAELO CNC(=O)N[C@@H]1CC[N@@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000408256095 160070620 /nfs/dbraw/zinc/07/06/20/160070620.db2.gz KGRSMRLQOZEQNE-BDAKNGLRSA-N 1 2 308.304 0.153 10 0 DCAELO CNC(=O)N[C@@H]1CC[N@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000408256095 160070622 /nfs/dbraw/zinc/07/06/22/160070622.db2.gz KGRSMRLQOZEQNE-BDAKNGLRSA-N 1 2 308.304 0.153 10 0 DCAELO CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@H]2CCCc3n[nH]cc32)CC1 ZINC000408258792 160071368 /nfs/dbraw/zinc/07/13/68/160071368.db2.gz BEHCANSAINIFSI-NSHDSACASA-N 1 2 319.409 0.238 10 0 DCAELO C[N@@H+]1CCO[C@H]2CN(C(=O)c3ccc(NC(N)=O)cc3)C[C@@H]21 ZINC000408295746 160078841 /nfs/dbraw/zinc/07/88/41/160078841.db2.gz WLHJTCBPOQNKHE-STQMWFEESA-N 1 2 304.350 0.332 10 0 DCAELO C[N@H+]1CCO[C@H]2CN(C(=O)c3ccc(NC(N)=O)cc3)C[C@@H]21 ZINC000408295746 160078844 /nfs/dbraw/zinc/07/88/44/160078844.db2.gz WLHJTCBPOQNKHE-STQMWFEESA-N 1 2 304.350 0.332 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)CC(F)(F)F)C[C@@H]1C ZINC000408318482 160084182 /nfs/dbraw/zinc/08/41/82/160084182.db2.gz ZMHIEUUTYPWWHZ-IUCAKERBSA-N 1 2 304.334 0.265 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)CC(F)(F)F)C[C@@H]1C ZINC000408318482 160084183 /nfs/dbraw/zinc/08/41/83/160084183.db2.gz ZMHIEUUTYPWWHZ-IUCAKERBSA-N 1 2 304.334 0.265 10 0 DCAELO C[C@H]1CN(S(=O)(=O)N(C)C2CCCCC2)CC[N@@H+]1CCO ZINC000408366629 160093402 /nfs/dbraw/zinc/09/34/02/160093402.db2.gz MNEZEHBGHAHIRC-ZDUSSCGKSA-N 1 2 319.471 0.494 10 0 DCAELO C[C@H]1CN(S(=O)(=O)N(C)C2CCCCC2)CC[N@H+]1CCO ZINC000408366629 160093403 /nfs/dbraw/zinc/09/34/03/160093403.db2.gz MNEZEHBGHAHIRC-ZDUSSCGKSA-N 1 2 319.471 0.494 10 0 DCAELO CN(Cc1cn2c([nH+]1)CCCC2)S(=O)(=O)N1CCOCC1 ZINC000408386226 160097735 /nfs/dbraw/zinc/09/77/35/160097735.db2.gz OVALYFOILOARPR-UHFFFAOYSA-N 1 2 314.411 0.228 10 0 DCAELO C[C@@H](C(=O)N1CCCCC1)[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000408449982 160110812 /nfs/dbraw/zinc/11/08/12/160110812.db2.gz CONXRNQFAPKVRB-QWHCGFSZSA-N 1 2 302.440 0.754 10 0 DCAELO C[C@@H](C(=O)N1CCCCC1)[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000408449982 160110815 /nfs/dbraw/zinc/11/08/15/160110815.db2.gz CONXRNQFAPKVRB-QWHCGFSZSA-N 1 2 302.440 0.754 10 0 DCAELO CCOC[C@H](C)CS(=O)(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000408460817 160113410 /nfs/dbraw/zinc/11/34/10/160113410.db2.gz RLPAOEAOBYYBCW-MELADBBJSA-N 1 2 320.455 0.394 10 0 DCAELO CCOC[C@H](C)CS(=O)(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000408460817 160113412 /nfs/dbraw/zinc/11/34/12/160113412.db2.gz RLPAOEAOBYYBCW-MELADBBJSA-N 1 2 320.455 0.394 10 0 DCAELO CS(=O)(=O)N[C@@H]1CCN(c2cc(N3CCCC3)[nH+]cn2)C1 ZINC000408470292 160115150 /nfs/dbraw/zinc/11/51/50/160115150.db2.gz QNHJJFBYTBIICD-LLVKDONJSA-N 1 2 311.411 0.205 10 0 DCAELO CS(=O)(=O)N[C@@H]1CCN(c2cc(N3CCCC3)nc[nH+]2)C1 ZINC000408470292 160115152 /nfs/dbraw/zinc/11/51/52/160115152.db2.gz QNHJJFBYTBIICD-LLVKDONJSA-N 1 2 311.411 0.205 10 0 DCAELO CCOCC[NH+]1CCN(S(=O)(=O)[C@@H]2CCO[C@H]2C)CC1 ZINC000135610010 287023989 /nfs/dbraw/zinc/02/39/89/287023989.db2.gz OPZVHAQEALSGPB-QWHCGFSZSA-N 1 2 306.428 0.148 10 0 DCAELO Cn1cnc2cc(C(=O)NCC[N@@H+]3CCOC(C)(C)C3)cnc21 ZINC000181009036 287056011 /nfs/dbraw/zinc/05/60/11/287056011.db2.gz XGJDXHRKHYKARX-UHFFFAOYSA-N 1 2 317.393 0.809 10 0 DCAELO Cn1cnc2cc(C(=O)NCC[N@H+]3CCOC(C)(C)C3)cnc21 ZINC000181009036 287056013 /nfs/dbraw/zinc/05/60/13/287056013.db2.gz XGJDXHRKHYKARX-UHFFFAOYSA-N 1 2 317.393 0.809 10 0 DCAELO Cc1cc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c(C)o1 ZINC000245842402 287073234 /nfs/dbraw/zinc/07/32/34/287073234.db2.gz DTHUEXFEQIRSRH-QWRGUYRKSA-N 1 2 316.423 0.972 10 0 DCAELO Cc1cc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)c(C)o1 ZINC000245842402 287073237 /nfs/dbraw/zinc/07/32/37/287073237.db2.gz DTHUEXFEQIRSRH-QWRGUYRKSA-N 1 2 316.423 0.972 10 0 DCAELO Cc1cc(C)n2c(nnc2SC[C@H](O)C[NH+]2CCOCC2)n1 ZINC000038391749 415193887 /nfs/dbraw/zinc/19/38/87/415193887.db2.gz IVMJBKGWOZYXJS-GFCCVEGCSA-N 1 2 323.422 0.526 10 0 DCAELO C[C@@H](CNC(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CCOCC1 ZINC000043712329 415214825 /nfs/dbraw/zinc/21/48/25/415214825.db2.gz VRORLIASJAYGBW-NSHDSACASA-N 1 2 306.366 0.628 10 0 DCAELO CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000081048121 415485257 /nfs/dbraw/zinc/48/52/57/415485257.db2.gz WYJCVPDYTGFVQO-LDYMZIIASA-N 1 2 311.304 0.608 10 0 DCAELO CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000081048121 415485258 /nfs/dbraw/zinc/48/52/58/415485258.db2.gz WYJCVPDYTGFVQO-LDYMZIIASA-N 1 2 311.304 0.608 10 0 DCAELO C[C@@H]1NC(=O)CC[C@H]1NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000333030346 415534598 /nfs/dbraw/zinc/53/45/98/415534598.db2.gz CBCMLOUNRCUGQH-CMPLNLGQSA-N 1 2 305.382 0.686 10 0 DCAELO Cn1cnc2c1nccc2C(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000287191838 415645896 /nfs/dbraw/zinc/64/58/96/415645896.db2.gz UJEWGWQUILIDSG-CHWSQXEVSA-N 1 2 315.377 0.513 10 0 DCAELO Cn1cnc2c1nccc2C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000287191838 415645902 /nfs/dbraw/zinc/64/59/02/415645902.db2.gz UJEWGWQUILIDSG-CHWSQXEVSA-N 1 2 315.377 0.513 10 0 DCAELO Cn1nnc2ccc(C(=O)N3CC[C@@H]4OCC[N@H+](C)[C@@H]4C3)cc21 ZINC000284167702 415592395 /nfs/dbraw/zinc/59/23/95/415592395.db2.gz RJJHHXRXOSQDFP-CABCVRRESA-N 1 2 315.377 0.513 10 0 DCAELO Cn1nnc2ccc(C(=O)N3CC[C@@H]4OCC[N@@H+](C)[C@@H]4C3)cc21 ZINC000284167702 415592400 /nfs/dbraw/zinc/59/24/00/415592400.db2.gz RJJHHXRXOSQDFP-CABCVRRESA-N 1 2 315.377 0.513 10 0 DCAELO Cc1nnc2ccc(C(=O)N3CC[C@@H]4OCC[N@@H+](C)[C@H]4C3)cn12 ZINC000284320283 415593709 /nfs/dbraw/zinc/59/37/09/415593709.db2.gz BCSVDKMYWVDIGY-KBPBESRZSA-N 1 2 315.377 0.583 10 0 DCAELO Cc1nnc2ccc(C(=O)N3CC[C@@H]4OCC[N@H+](C)[C@H]4C3)cn12 ZINC000284320283 415593714 /nfs/dbraw/zinc/59/37/14/415593714.db2.gz BCSVDKMYWVDIGY-KBPBESRZSA-N 1 2 315.377 0.583 10 0 DCAELO CCn1c(CN2CC[NH+](CC(N)=O)CC2)nc2cc(F)ccc21 ZINC000107676822 415673158 /nfs/dbraw/zinc/67/31/58/415673158.db2.gz AKTDYPRCLRUQQC-UHFFFAOYSA-N 1 2 319.384 0.798 10 0 DCAELO CCOCCN1CC[N@H+](C[C@@H](C)CS(C)(=O)=O)C[C@@H]1C ZINC000118983294 415736702 /nfs/dbraw/zinc/73/67/02/415736702.db2.gz WCRKFFQAQXEVNW-KGLIPLIRSA-N 1 2 306.472 0.710 10 0 DCAELO CCOCCN1CC[N@@H+](C[C@@H](C)CS(C)(=O)=O)C[C@@H]1C ZINC000118983294 415736710 /nfs/dbraw/zinc/73/67/10/415736710.db2.gz WCRKFFQAQXEVNW-KGLIPLIRSA-N 1 2 306.472 0.710 10 0 DCAELO CCOCC[N@@H+]1CCN(C[C@@H](C)CS(C)(=O)=O)C[C@@H]1C ZINC000118983294 415736717 /nfs/dbraw/zinc/73/67/17/415736717.db2.gz WCRKFFQAQXEVNW-KGLIPLIRSA-N 1 2 306.472 0.710 10 0 DCAELO CCOCC[N@H+]1CCN(C[C@@H](C)CS(C)(=O)=O)C[C@@H]1C ZINC000118983294 415736723 /nfs/dbraw/zinc/73/67/23/415736723.db2.gz WCRKFFQAQXEVNW-KGLIPLIRSA-N 1 2 306.472 0.710 10 0 DCAELO O=C1NC[C@@H]2C[N@H+](Cc3ccccc3OC3CC3)CCN2C1=O ZINC000290164269 415771522 /nfs/dbraw/zinc/77/15/22/415771522.db2.gz XVUYYAQPVQKMOB-CYBMUJFWSA-N 1 2 315.373 0.370 10 0 DCAELO O=C1NC[C@@H]2C[N@@H+](Cc3ccccc3OC3CC3)CCN2C1=O ZINC000290164269 415771527 /nfs/dbraw/zinc/77/15/27/415771527.db2.gz XVUYYAQPVQKMOB-CYBMUJFWSA-N 1 2 315.373 0.370 10 0 DCAELO CNC(=O)Cc1nc(C[NH2+]C2(C(N)=O)CCCCC2)cs1 ZINC000123054049 415839958 /nfs/dbraw/zinc/83/99/58/415839958.db2.gz YGOCTGSJDLSRKC-UHFFFAOYSA-N 1 2 310.423 0.709 10 0 DCAELO C[C@@H](CNC(=O)N1CCC(CC(N)=O)CC1)[NH+]1CCOCC1 ZINC000126512443 415877346 /nfs/dbraw/zinc/87/73/46/415877346.db2.gz CFRQHXJNVWIBON-LBPRGKRZSA-N 1 2 312.414 0.004 10 0 DCAELO CCn1nc(C)c(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)c1C ZINC000152944950 415972983 /nfs/dbraw/zinc/97/29/83/415972983.db2.gz OWZNVDRYWFLHHB-UHFFFAOYSA-N 1 2 319.409 0.765 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)c2ncn(-c3ccccc3)n2)C1 ZINC000155041432 415992836 /nfs/dbraw/zinc/99/28/36/415992836.db2.gz DZQFEPYQDGPPLF-CYBMUJFWSA-N 1 2 301.350 0.328 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)c2ncn(-c3ccccc3)n2)C1 ZINC000155041432 415992838 /nfs/dbraw/zinc/99/28/38/415992838.db2.gz DZQFEPYQDGPPLF-CYBMUJFWSA-N 1 2 301.350 0.328 10 0 DCAELO CC1(CNC(=O)C[NH+]2CCN(c3ccccn3)CC2)COC1 ZINC000173560776 416062137 /nfs/dbraw/zinc/06/21/37/416062137.db2.gz FKIPSPBUPAARHM-UHFFFAOYSA-N 1 2 304.394 0.356 10 0 DCAELO COCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1nnc2n1CCCC2 ZINC000173626800 416062794 /nfs/dbraw/zinc/06/27/94/416062794.db2.gz VXVIOLQZFXRRNB-RYUDHWBXSA-N 1 2 309.414 0.806 10 0 DCAELO NS(=O)(=O)CCC[NH2+]C1(c2noc(C3CC3)n2)CCCC1 ZINC000173712013 416063771 /nfs/dbraw/zinc/06/37/71/416063771.db2.gz MZDSYBUKUAYYOW-UHFFFAOYSA-N 1 2 314.411 0.985 10 0 DCAELO Cc1n[nH]cc1CCCNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173795647 416066383 /nfs/dbraw/zinc/06/63/83/416066383.db2.gz SXAJDACKSJJPME-HNNXBMFYSA-N 1 2 321.425 0.767 10 0 DCAELO CC(C)c1nnnn1CC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000174338963 416076345 /nfs/dbraw/zinc/07/63/45/416076345.db2.gz SPWVFADONZCGOA-ZDUSSCGKSA-N 1 2 322.413 0.120 10 0 DCAELO O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@H]1CCCN1c1nccs1 ZINC000159106222 416007759 /nfs/dbraw/zinc/00/77/59/416007759.db2.gz DTXWIXICTUAQTP-CHWSQXEVSA-N 1 2 321.450 0.228 10 0 DCAELO CCOCCCNC(=O)[C@@H](C)[NH+]1CCN(c2cccnn2)CC1 ZINC000170649397 416027184 /nfs/dbraw/zinc/02/71/84/416027184.db2.gz HBIUPKRCBUOHDD-CQSZACIVSA-N 1 2 321.425 0.530 10 0 DCAELO CC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@](O)(CO)C2)c1 ZINC000313630909 416107115 /nfs/dbraw/zinc/10/71/15/416107115.db2.gz PQROKTLIEZSIKQ-INIZCTEOSA-N 1 2 306.362 0.647 10 0 DCAELO CC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@](O)(CO)C2)c1 ZINC000313630909 416107120 /nfs/dbraw/zinc/10/71/20/416107120.db2.gz PQROKTLIEZSIKQ-INIZCTEOSA-N 1 2 306.362 0.647 10 0 DCAELO Cc1cc(C(=O)NC[C@H]2C[N@H+](C)CCO2)c2cnn(C)c2n1 ZINC000175478729 416107803 /nfs/dbraw/zinc/10/78/03/416107803.db2.gz NAWPYVWZQNVWHA-NSHDSACASA-N 1 2 303.366 0.337 10 0 DCAELO Cc1cc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)c2cnn(C)c2n1 ZINC000175478729 416107807 /nfs/dbraw/zinc/10/78/07/416107807.db2.gz NAWPYVWZQNVWHA-NSHDSACASA-N 1 2 303.366 0.337 10 0 DCAELO CCN1CCN(C(=O)Nc2ccon2)C[C@@H]1c1[nH+]ccn1C ZINC000328624356 416123290 /nfs/dbraw/zinc/12/32/90/416123290.db2.gz JTVYXDHGYCNXEN-LLVKDONJSA-N 1 2 304.354 1.319 10 0 DCAELO Cc1cc(NC(=O)N(CC2CC2)C[C@H]2C[N@H+](C)CCO2)nn1C ZINC000328651885 416124495 /nfs/dbraw/zinc/12/44/95/416124495.db2.gz WDGJGAYCXGEZDM-CQSZACIVSA-N 1 2 321.425 1.303 10 0 DCAELO Cc1cc(NC(=O)N(CC2CC2)C[C@H]2C[N@@H+](C)CCO2)nn1C ZINC000328651885 416124498 /nfs/dbraw/zinc/12/44/98/416124498.db2.gz WDGJGAYCXGEZDM-CQSZACIVSA-N 1 2 321.425 1.303 10 0 DCAELO CC(C)c1cc(C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)nn1C ZINC000176491025 416127737 /nfs/dbraw/zinc/12/77/37/416127737.db2.gz OZSKSUXSEZYZQQ-MRXNPFEDSA-N 1 2 324.425 0.357 10 0 DCAELO CN1CC[N@H+](C)[C@H](CNC(=O)NCc2ccc3cc[nH]c3n2)C1 ZINC000357780306 416132505 /nfs/dbraw/zinc/13/25/05/416132505.db2.gz MUFBWDTXZMYXSJ-CQSZACIVSA-N 1 2 316.409 0.608 10 0 DCAELO CN1CC[N@@H+](C)[C@H](CNC(=O)NCc2ccc3cc[nH]c3n2)C1 ZINC000357780306 416132507 /nfs/dbraw/zinc/13/25/07/416132507.db2.gz MUFBWDTXZMYXSJ-CQSZACIVSA-N 1 2 316.409 0.608 10 0 DCAELO CC[C@H]1CN(C(=O)[C@H]2CCc3[nH]nnc3C2)CC[N@@H+]1CCOC ZINC000329053109 416146122 /nfs/dbraw/zinc/14/61/22/416146122.db2.gz XAGMXLGQMGGANF-STQMWFEESA-N 1 2 321.425 0.479 10 0 DCAELO CC[C@H]1CN(C(=O)[C@H]2CCc3[nH]nnc3C2)CC[N@H+]1CCOC ZINC000329053109 416146123 /nfs/dbraw/zinc/14/61/23/416146123.db2.gz XAGMXLGQMGGANF-STQMWFEESA-N 1 2 321.425 0.479 10 0 DCAELO CC[C@H]1CN(C(=O)[C@H]2CCc3nn[nH]c3C2)CC[N@@H+]1CCOC ZINC000329053109 416146126 /nfs/dbraw/zinc/14/61/26/416146126.db2.gz XAGMXLGQMGGANF-STQMWFEESA-N 1 2 321.425 0.479 10 0 DCAELO CC[C@H]1CN(C(=O)[C@H]2CCc3nn[nH]c3C2)CC[N@H+]1CCOC ZINC000329053109 416146129 /nfs/dbraw/zinc/14/61/29/416146129.db2.gz XAGMXLGQMGGANF-STQMWFEESA-N 1 2 321.425 0.479 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3ncn(C(C)(C)C)n3)C[C@@H]21 ZINC000329070715 416147846 /nfs/dbraw/zinc/14/78/46/416147846.db2.gz YPNMNZGUCXHMGY-NWDGAFQWSA-N 1 2 322.413 0.970 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3ncn(C(C)(C)C)n3)C[C@@H]21 ZINC000329070715 416147851 /nfs/dbraw/zinc/14/78/51/416147851.db2.gz YPNMNZGUCXHMGY-NWDGAFQWSA-N 1 2 322.413 0.970 10 0 DCAELO CCCNC(=O)C[C@@H](C(N)=O)[N@H+](CCC)Cc1ncc(C)cn1 ZINC000358034026 416173174 /nfs/dbraw/zinc/17/31/74/416173174.db2.gz MMGUNXKGNUEVTK-ZDUSSCGKSA-N 1 2 321.425 0.767 10 0 DCAELO CCCNC(=O)C[C@@H](C(N)=O)[N@@H+](CCC)Cc1ncc(C)cn1 ZINC000358034026 416173178 /nfs/dbraw/zinc/17/31/78/416173178.db2.gz MMGUNXKGNUEVTK-ZDUSSCGKSA-N 1 2 321.425 0.767 10 0 DCAELO O=C(NC[C@@H]1C[NH+]2CCN1CC2)C(=O)Nc1ccc(F)c(F)c1 ZINC000178957406 416179557 /nfs/dbraw/zinc/17/95/57/416179557.db2.gz WVWVITHVVNZBOC-LLVKDONJSA-N 1 2 324.331 0.019 10 0 DCAELO CC[C@H](O)C[NH+]1CCN(C(=O)N[C@H](C)Cc2cc(C)[nH]n2)CC1 ZINC000182013918 416214470 /nfs/dbraw/zinc/21/44/70/416214470.db2.gz FFOJXQJCRSOYHZ-DOMZBBRYSA-N 1 2 323.441 0.747 10 0 DCAELO CO[C@H]1C[C@@H](C(=O)Nc2ccn(CC(F)(F)F)n2)[N@H+](C)C1 ZINC000330581970 416216804 /nfs/dbraw/zinc/21/68/04/416216804.db2.gz QWXUHBURPRWGNC-IUCAKERBSA-N 1 2 306.288 1.103 10 0 DCAELO CO[C@H]1C[C@@H](C(=O)Nc2ccn(CC(F)(F)F)n2)[N@@H+](C)C1 ZINC000330581970 416216805 /nfs/dbraw/zinc/21/68/05/416216805.db2.gz QWXUHBURPRWGNC-IUCAKERBSA-N 1 2 306.288 1.103 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)C[C@H](C)O1 ZINC000329280846 416161340 /nfs/dbraw/zinc/16/13/40/416161340.db2.gz DUOAHCVLCOXORT-TUAOUCFPSA-N 1 2 314.411 0.901 10 0 DCAELO Cc1noc([C@@H]2C[C@@H](O)C[N@@H+]2CCC(=O)NC2CCCC2)n1 ZINC000357967877 416162178 /nfs/dbraw/zinc/16/21/78/416162178.db2.gz ZEUGIAZUVPWBGE-OLZOCXBDSA-N 1 2 308.382 0.935 10 0 DCAELO Cc1noc([C@@H]2C[C@@H](O)C[N@H+]2CCC(=O)NC2CCCC2)n1 ZINC000357967877 416162181 /nfs/dbraw/zinc/16/21/81/416162181.db2.gz ZEUGIAZUVPWBGE-OLZOCXBDSA-N 1 2 308.382 0.935 10 0 DCAELO C[C@@H]1CN(C(=O)c2cc(F)c(O)c(F)c2)CC[N@@H+]1CCO ZINC000187280959 416260286 /nfs/dbraw/zinc/26/02/86/416260286.db2.gz YDDKBAGKHWAWMP-SECBINFHSA-N 1 2 300.305 0.809 10 0 DCAELO C[C@@H]1CN(C(=O)c2cc(F)c(O)c(F)c2)CC[N@H+]1CCO ZINC000187280959 416260288 /nfs/dbraw/zinc/26/02/88/416260288.db2.gz YDDKBAGKHWAWMP-SECBINFHSA-N 1 2 300.305 0.809 10 0 DCAELO Cc1cc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)ccc1F ZINC000190027177 416274641 /nfs/dbraw/zinc/27/46/41/416274641.db2.gz CPIRHWYEZWUWDI-GFCCVEGCSA-N 1 2 323.368 0.598 10 0 DCAELO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)ccc1F ZINC000190027177 416274643 /nfs/dbraw/zinc/27/46/43/416274643.db2.gz CPIRHWYEZWUWDI-GFCCVEGCSA-N 1 2 323.368 0.598 10 0 DCAELO CCC(CC)[C@H](C(=O)Nc1nc(OC)n[nH]1)[NH+]1CCOCC1 ZINC000183002803 416235555 /nfs/dbraw/zinc/23/55/55/416235555.db2.gz JWKRUVSOUJDFRR-LLVKDONJSA-N 1 2 311.386 0.889 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3cnn(-c4cccnc4)c3)C[C@H]21 ZINC000352198648 416304182 /nfs/dbraw/zinc/30/41/82/416304182.db2.gz YFCSGMKBLQGZOP-HUUCEWRRSA-N 1 2 313.361 0.422 10 0 DCAELO C[N@H+]1CCO[C@@H]2CN(C(=O)c3cnn(-c4cccnc4)c3)C[C@H]21 ZINC000352198648 416304185 /nfs/dbraw/zinc/30/41/85/416304185.db2.gz YFCSGMKBLQGZOP-HUUCEWRRSA-N 1 2 313.361 0.422 10 0 DCAELO COC(=O)[C@H](C1CC1)N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000359579092 416351256 /nfs/dbraw/zinc/35/12/56/416351256.db2.gz DPOVPPGNCZYYAL-INIZCTEOSA-N 1 2 323.437 0.568 10 0 DCAELO CCN1C[C@H](C(=O)N2CCN(C)[C@@H](c3[nH]cc[nH+]3)C2)CC1=O ZINC000583621041 416480395 /nfs/dbraw/zinc/48/03/95/416480395.db2.gz OWRVDDFLDDSDCE-VXGBXAGGSA-N 1 2 305.382 0.093 10 0 DCAELO NS(=O)(=O)CCC[N@@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000361987821 416540831 /nfs/dbraw/zinc/54/08/31/416540831.db2.gz UMLPOEFQTZZRSE-CQSZACIVSA-N 1 2 314.407 0.445 10 0 DCAELO NS(=O)(=O)CCC[N@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000361987821 416540837 /nfs/dbraw/zinc/54/08/37/416540837.db2.gz UMLPOEFQTZZRSE-CQSZACIVSA-N 1 2 314.407 0.445 10 0 DCAELO O=C1NC(=O)N2CC[N@H+](Cc3ccc4c(c3)OCCO4)C[C@H]12 ZINC000538712057 416573877 /nfs/dbraw/zinc/57/38/77/416573877.db2.gz HLMVINWOAHCPTH-LLVKDONJSA-N 1 2 303.318 0.194 10 0 DCAELO O=C1NC(=O)N2CC[N@@H+](Cc3ccc4c(c3)OCCO4)C[C@H]12 ZINC000538712057 416573880 /nfs/dbraw/zinc/57/38/80/416573880.db2.gz HLMVINWOAHCPTH-LLVKDONJSA-N 1 2 303.318 0.194 10 0 DCAELO COc1cccc(CCNC(=O)NCC[NH+]2CCOCC2)n1 ZINC000440509368 416638167 /nfs/dbraw/zinc/63/81/67/416638167.db2.gz GAMYMDJCKWOVPJ-UHFFFAOYSA-N 1 2 308.382 0.264 10 0 DCAELO C[C@@H](O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000557384370 416732717 /nfs/dbraw/zinc/73/27/17/416732717.db2.gz IZALRULIHYJVHW-NEPJUHHUSA-N 1 2 316.361 0.892 10 0 DCAELO CN(CC1CC1)C(=O)C[N@@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000444795083 416870957 /nfs/dbraw/zinc/87/09/57/416870957.db2.gz LSPFWBVAQLXXQP-CYBMUJFWSA-N 1 2 302.440 0.754 10 0 DCAELO CN(CC1CC1)C(=O)C[N@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000444795083 416870962 /nfs/dbraw/zinc/87/09/62/416870962.db2.gz LSPFWBVAQLXXQP-CYBMUJFWSA-N 1 2 302.440 0.754 10 0 DCAELO C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc2nccn2c1 ZINC000519581547 416919474 /nfs/dbraw/zinc/91/94/74/416919474.db2.gz VIXUKEYPHSPXCO-LLVKDONJSA-N 1 2 301.350 0.435 10 0 DCAELO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc2nccn2c1 ZINC000519581547 416919481 /nfs/dbraw/zinc/91/94/81/416919481.db2.gz VIXUKEYPHSPXCO-LLVKDONJSA-N 1 2 301.350 0.435 10 0 DCAELO CC(=O)c1ccc(C(=O)N2CC[N@@H+](CCO)C[C@@H]2C)cc1O ZINC000616154893 416975867 /nfs/dbraw/zinc/97/58/67/416975867.db2.gz HTYCGQZGWPRLEC-NSHDSACASA-N 1 2 306.362 0.733 10 0 DCAELO CC(=O)c1ccc(C(=O)N2CC[N@H+](CCO)C[C@@H]2C)cc1O ZINC000616154893 416975875 /nfs/dbraw/zinc/97/58/75/416975875.db2.gz HTYCGQZGWPRLEC-NSHDSACASA-N 1 2 306.362 0.733 10 0 DCAELO CC(=O)c1ccc(C(=O)N2CC[N@@H+](CCO)C[C@H]2C)cc1O ZINC000616154892 416978023 /nfs/dbraw/zinc/97/80/23/416978023.db2.gz HTYCGQZGWPRLEC-LLVKDONJSA-N 1 2 306.362 0.733 10 0 DCAELO CC(=O)c1ccc(C(=O)N2CC[N@H+](CCO)C[C@H]2C)cc1O ZINC000616154892 416978032 /nfs/dbraw/zinc/97/80/32/416978032.db2.gz HTYCGQZGWPRLEC-LLVKDONJSA-N 1 2 306.362 0.733 10 0 DCAELO Cc1ccc(NC(=O)C(=O)NCc2nnc3ccccn32)c(C)[nH+]1 ZINC000447253899 416979504 /nfs/dbraw/zinc/97/95/04/416979504.db2.gz CROFELOSNSCKRF-UHFFFAOYSA-N 1 2 324.344 0.996 10 0 DCAELO C[C@@H]1CCCN1S(=O)(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000375220159 416997958 /nfs/dbraw/zinc/99/79/58/416997958.db2.gz IWNLDVJYMJOMFZ-OLZOCXBDSA-N 1 2 303.428 0.122 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)CC(F)(F)F)[C@H](C)C1 ZINC000408397617 417159364 /nfs/dbraw/zinc/15/93/64/417159364.db2.gz YXCLKVLHZKBHED-BDAKNGLRSA-N 1 2 304.334 0.265 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)CC(F)(F)F)[C@H](C)C1 ZINC000408397617 417159368 /nfs/dbraw/zinc/15/93/68/417159368.db2.gz YXCLKVLHZKBHED-BDAKNGLRSA-N 1 2 304.334 0.265 10 0 DCAELO Cc1cc(S(=O)(=O)N2CC[N@@H+](C)C[C@@H]2CO)c(C)s1 ZINC000632577015 417173954 /nfs/dbraw/zinc/17/39/54/417173954.db2.gz IRQXIARPWUTPJT-LLVKDONJSA-N 1 2 304.437 0.662 10 0 DCAELO Cc1cc(S(=O)(=O)N2CC[N@H+](C)C[C@@H]2CO)c(C)s1 ZINC000632577015 417173959 /nfs/dbraw/zinc/17/39/59/417173959.db2.gz IRQXIARPWUTPJT-LLVKDONJSA-N 1 2 304.437 0.662 10 0 DCAELO C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)c2cnn[nH]2)C1 ZINC000620724368 417270409 /nfs/dbraw/zinc/27/04/09/417270409.db2.gz LABGBGOTRBDUEE-CQSZACIVSA-N 1 2 314.393 0.351 10 0 DCAELO Cc1cn2cc(NC(=O)CN3CCCC[C@H](O)C3=O)ccc2[nH+]1 ZINC000644339427 417542530 /nfs/dbraw/zinc/54/25/30/417542530.db2.gz ACTRFVUNJMEWRU-ZDUSSCGKSA-N 1 2 316.361 0.955 10 0 DCAELO CC(=O)c1c(C)[nH]c(C(=O)N2CC[N@@H+](CCO)C[C@H]2C)c1C ZINC000457134737 417689714 /nfs/dbraw/zinc/68/97/14/417689714.db2.gz UERYBOOAOJRBFP-SNVBAGLBSA-N 1 2 307.394 0.973 10 0 DCAELO CC(=O)c1c(C)[nH]c(C(=O)N2CC[N@H+](CCO)C[C@H]2C)c1C ZINC000457134737 417689718 /nfs/dbraw/zinc/68/97/18/417689718.db2.gz UERYBOOAOJRBFP-SNVBAGLBSA-N 1 2 307.394 0.973 10 0 DCAELO C[N@@H+]1CCOC[C@H]1CNC(=O)c1ncccc1Br ZINC000628921853 417727499 /nfs/dbraw/zinc/72/74/99/417727499.db2.gz LYPBIXHFFGCDMR-SECBINFHSA-N 1 2 314.183 0.905 10 0 DCAELO C[N@H+]1CCOC[C@H]1CNC(=O)c1ncccc1Br ZINC000628921853 417727504 /nfs/dbraw/zinc/72/75/04/417727504.db2.gz LYPBIXHFFGCDMR-SECBINFHSA-N 1 2 314.183 0.905 10 0 DCAELO C[N@@H+]1CCOC[C@H]1CNC(=O)c1cncc(Br)c1 ZINC000628926698 417730412 /nfs/dbraw/zinc/73/04/12/417730412.db2.gz XMRGGUFSDJTBBO-LLVKDONJSA-N 1 2 314.183 0.905 10 0 DCAELO C[N@H+]1CCOC[C@H]1CNC(=O)c1cncc(Br)c1 ZINC000628926698 417730416 /nfs/dbraw/zinc/73/04/16/417730416.db2.gz XMRGGUFSDJTBBO-LLVKDONJSA-N 1 2 314.183 0.905 10 0 DCAELO Cc1ccccc1C[C@H](CO)NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000188045246 261125749 /nfs/dbraw/zinc/12/57/49/261125749.db2.gz HMPUMYXIMNQXIO-CVEARBPZSA-N 1 2 321.421 0.528 10 0 DCAELO Cc1ccccc1C[C@H](CO)NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000188045246 261125751 /nfs/dbraw/zinc/12/57/51/261125751.db2.gz HMPUMYXIMNQXIO-CVEARBPZSA-N 1 2 321.421 0.528 10 0 DCAELO O=C(NC[C@H](c1cccs1)[NH+]1CCOCC1)[C@@H]1CNC(=O)C1 ZINC000194861033 261148264 /nfs/dbraw/zinc/14/82/64/261148264.db2.gz UCMUOHYAEDBQBM-NWDGAFQWSA-N 1 2 323.418 0.374 10 0 DCAELO COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CCn2cc[nH+]c2C1 ZINC000234608482 261154499 /nfs/dbraw/zinc/15/44/99/261154499.db2.gz SNODNBKQSNZXIS-GHMZBOCLSA-N 1 2 313.379 0.370 10 0 DCAELO CSC[C@@H](C)C(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000328654395 533687223 /nfs/dbraw/zinc/68/72/23/533687223.db2.gz XJMMWCHBODWMDB-MNOVXSKESA-N 1 2 303.428 0.680 10 0 DCAELO CSC[C@@H](C)C(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000328654395 533687227 /nfs/dbraw/zinc/68/72/27/533687227.db2.gz XJMMWCHBODWMDB-MNOVXSKESA-N 1 2 303.428 0.680 10 0 DCAELO COC[C@H](C)S(=O)(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000176993127 270951342 /nfs/dbraw/zinc/95/13/42/270951342.db2.gz SPHIDWJBGQSTFM-AGIUHOORSA-N 1 2 306.428 0.004 10 0 DCAELO COC(=O)[C@@H]([NH2+]CCCN1C(=O)NC2(CCCC2)C1=O)C1CC1 ZINC000358797784 271073849 /nfs/dbraw/zinc/07/38/49/271073849.db2.gz APHGBYXQOIQMDC-LBPRGKRZSA-N 1 2 323.393 0.782 10 0 DCAELO CC[C@@H](C)NC(=O)C[NH+]1CCN(Cc2ccnc(C)n2)CC1 ZINC000507142038 272394426 /nfs/dbraw/zinc/39/44/26/272394426.db2.gz HLZLNRKNXWCARV-CYBMUJFWSA-N 1 2 305.426 0.817 10 0 DCAELO CC[C@@H](C)NC(=O)CN1CC[NH+](Cc2ccnc(C)n2)CC1 ZINC000507142038 272394428 /nfs/dbraw/zinc/39/44/28/272394428.db2.gz HLZLNRKNXWCARV-CYBMUJFWSA-N 1 2 305.426 0.817 10 0 DCAELO CC(=O)N1CCC[C@@H]1C(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000328727272 275763740 /nfs/dbraw/zinc/76/37/40/275763740.db2.gz VASKARZXVPRSAI-HUUCEWRRSA-N 1 2 302.378 0.565 10 0 DCAELO CC(=O)N1CSC[C@@H]1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000371510310 277014843 /nfs/dbraw/zinc/01/48/43/277014843.db2.gz LCWPZVVJNDMDGX-CYBMUJFWSA-N 1 2 322.434 0.800 10 0 DCAELO CO[C@H]1C[C@@H](C(=O)N2CCCC[C@H]2c2n[nH]c(C)n2)[N@H+](C)C1 ZINC000329126650 277345713 /nfs/dbraw/zinc/34/57/13/277345713.db2.gz MSYZILSTRIRFTQ-AVGNSLFASA-N 1 2 307.398 0.886 10 0 DCAELO CO[C@H]1C[C@@H](C(=O)N2CCCC[C@H]2c2n[nH]c(C)n2)[N@@H+](C)C1 ZINC000329126650 277345714 /nfs/dbraw/zinc/34/57/14/277345714.db2.gz MSYZILSTRIRFTQ-AVGNSLFASA-N 1 2 307.398 0.886 10 0 DCAELO CC(=O)N1CCC[C@H](C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000172766198 278019333 /nfs/dbraw/zinc/01/93/33/278019333.db2.gz PHQPNFNROLRITD-LSDHHAIUSA-N 1 2 309.410 0.178 10 0 DCAELO CN(C)C(=O)C1(C(=O)N2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000548079748 288109774 /nfs/dbraw/zinc/10/97/74/288109774.db2.gz OUYADBYPHFSRQT-UHFFFAOYSA-N 1 2 316.405 0.594 10 0 DCAELO CC(C)Nc1nc(N2C[C@H]3CCCC[C@@H]3C2)nc(NCCO)[nH+]1 ZINC000550388160 288215677 /nfs/dbraw/zinc/21/56/77/288215677.db2.gz VURGTEBGELKMMD-CHWSQXEVSA-N 1 2 320.441 0.566 10 0 DCAELO CC(C)Nc1nc(NCCO)[nH+]c(N2C[C@H]3CCCC[C@@H]3C2)n1 ZINC000550388160 288215679 /nfs/dbraw/zinc/21/56/79/288215679.db2.gz VURGTEBGELKMMD-CHWSQXEVSA-N 1 2 320.441 0.566 10 0 DCAELO CC(C)Nc1nc(NCCO)nc(N2C[C@H]3CCCC[C@@H]3C2)[nH+]1 ZINC000550388160 288215681 /nfs/dbraw/zinc/21/56/81/288215681.db2.gz VURGTEBGELKMMD-CHWSQXEVSA-N 1 2 320.441 0.566 10 0 DCAELO Cc1cc(CNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)n(C)n1 ZINC000551745266 288234455 /nfs/dbraw/zinc/23/44/55/288234455.db2.gz LITRODXTMMCEOF-UHFFFAOYSA-N 1 2 312.333 0.631 10 0 DCAELO COCCN(C(=O)C(=O)Nc1ccc2[nH+]ccn2c1)C1CC1 ZINC000552711086 288279669 /nfs/dbraw/zinc/27/96/69/288279669.db2.gz IPOBXKYXQVLYDE-UHFFFAOYSA-N 1 2 302.334 0.910 10 0 DCAELO COC[C@H]1CCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000553082335 288286268 /nfs/dbraw/zinc/28/62/68/288286268.db2.gz AGGPFZQBPDYGSQ-NSHDSACASA-N 1 2 302.334 0.768 10 0 DCAELO CO[C@H]1CC[C@H](NC(=O)C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000556654588 288380840 /nfs/dbraw/zinc/38/08/40/288380840.db2.gz IBCMJELEBVQOLE-STQMWFEESA-N 1 2 308.382 0.463 10 0 DCAELO O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N[C@H](CO)CC1CCC1 ZINC000557339062 288417873 /nfs/dbraw/zinc/41/78/73/288417873.db2.gz DFMLHHBZWNIYER-ZDUSSCGKSA-N 1 2 316.361 0.940 10 0 DCAELO Cn1cc[nH+]c1[C@@H]1CN(C(=O)N[C@@H]2CCCOCC2)CCN1C ZINC000275386671 294419440 /nfs/dbraw/zinc/41/94/40/294419440.db2.gz AJGHAOFMYMQMNZ-KGLIPLIRSA-N 1 2 321.425 0.987 10 0 DCAELO Cn1ncc2c1C[C@@H](C(=O)N1CC[C@H]([NH+]3CCOCC3)C1)CC2 ZINC000328817774 294560990 /nfs/dbraw/zinc/56/09/90/294560990.db2.gz OBKWCRPPYOOMBX-ZFWWWQNUSA-N 1 2 318.421 0.458 10 0 DCAELO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1CCCC12OCCO2 ZINC000376196822 297265017 /nfs/dbraw/zinc/26/50/17/297265017.db2.gz MSSPTGSLIFNVEX-KFWWJZLASA-N 1 2 324.421 0.851 10 0 DCAELO C[C@H]1C[N@H+](C)CCN1CC1=NS(=O)(=O)c2ccccc2N1 ZINC000089939212 300213615 /nfs/dbraw/zinc/21/36/15/300213615.db2.gz JSGPNMNLMCGHOC-NSHDSACASA-N 1 2 308.407 0.835 10 0 DCAELO C[C@H]1C[N@@H+](C)CCN1CC1=NS(=O)(=O)c2ccccc2N1 ZINC000089939212 300213616 /nfs/dbraw/zinc/21/36/16/300213616.db2.gz JSGPNMNLMCGHOC-NSHDSACASA-N 1 2 308.407 0.835 10 0 DCAELO Cc1ccncc1S(=O)(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000408228470 302291599 /nfs/dbraw/zinc/29/15/99/302291599.db2.gz XPCUCHBPMMEASS-OLZOCXBDSA-N 1 2 313.423 0.466 10 0 DCAELO Cc1ccncc1S(=O)(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000408228470 302291601 /nfs/dbraw/zinc/29/16/01/302291601.db2.gz XPCUCHBPMMEASS-OLZOCXBDSA-N 1 2 313.423 0.466 10 0 DCAELO Cn1cc([C@@H]2C[NH2+]CCN2S(=O)(=O)c2cccnc2)cn1 ZINC000181698545 302925264 /nfs/dbraw/zinc/92/52/64/302925264.db2.gz YVAOASAFJADOHD-ZDUSSCGKSA-N 1 2 307.379 0.150 10 0 DCAELO Cn1cc[nH+]c1[C@H]1CN(C(=O)N[C@H]2CCCOCC2)CCN1C ZINC000275386675 303007055 /nfs/dbraw/zinc/00/70/55/303007055.db2.gz AJGHAOFMYMQMNZ-UONOGXRCSA-N 1 2 321.425 0.987 10 0 DCAELO NC(=O)N1CCC[N@@H+]([C@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000158085769 303264364 /nfs/dbraw/zinc/26/43/64/303264364.db2.gz PYNNEYGOHJEURK-JTQLQIEISA-N 1 2 322.331 0.626 10 0 DCAELO NC(=O)N1CCC[N@H+]([C@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000158085769 303264365 /nfs/dbraw/zinc/26/43/65/303264365.db2.gz PYNNEYGOHJEURK-JTQLQIEISA-N 1 2 322.331 0.626 10 0 DCAELO O=C(CN1CCCCCC1=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172742159 534527146 /nfs/dbraw/zinc/52/71/46/534527146.db2.gz ZZDRVJNISXQXSN-CQSZACIVSA-N 1 2 309.410 0.322 10 0 DCAELO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCN(CC(F)F)[C@@H](CC)C1 ZINC000245724184 521741481 /nfs/dbraw/zinc/74/14/81/521741481.db2.gz IAQRWCTYUDDFKO-MNOVXSKESA-N 1 2 320.384 0.882 10 0 DCAELO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCN(CC(F)F)[C@@H](CC)C1 ZINC000245724184 521741482 /nfs/dbraw/zinc/74/14/82/521741482.db2.gz IAQRWCTYUDDFKO-MNOVXSKESA-N 1 2 320.384 0.882 10 0 DCAELO CCc1ccccc1S(=O)(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000249482344 521928354 /nfs/dbraw/zinc/92/83/54/521928354.db2.gz VVTOKWHDXFGYLW-ZDUSSCGKSA-N 1 2 312.435 0.936 10 0 DCAELO CCc1ccccc1S(=O)(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000249482344 521928361 /nfs/dbraw/zinc/92/83/61/521928361.db2.gz VVTOKWHDXFGYLW-ZDUSSCGKSA-N 1 2 312.435 0.936 10 0 DCAELO COc1ccnc(N2CC[NH+](CCN3CCO[C@@H](C)C3)CC2)n1 ZINC000191482204 524841886 /nfs/dbraw/zinc/84/18/86/524841886.db2.gz KNIVXVKNUNISLK-AWEZNQCLSA-N 1 2 321.425 0.328 10 0 DCAELO COc1ccnc(N2CC[NH+](Cc3ccnc(N)c3)CC2)n1 ZINC000191482167 524843815 /nfs/dbraw/zinc/84/38/15/524843815.db2.gz MWLCCQOGKBLZPY-UHFFFAOYSA-N 1 2 300.366 0.785 10 0 DCAELO C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](c2nccs2)C1)C(=O)N(C)C ZINC000249870085 525103946 /nfs/dbraw/zinc/10/39/46/525103946.db2.gz JIMRKLAOLGKPAS-VXGBXAGGSA-N 1 2 324.450 0.915 10 0 DCAELO C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](c2nccs2)C1)C(=O)N(C)C ZINC000249870085 525103954 /nfs/dbraw/zinc/10/39/54/525103954.db2.gz JIMRKLAOLGKPAS-VXGBXAGGSA-N 1 2 324.450 0.915 10 0 DCAELO C[S@@](=O)CCC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000154840705 525362808 /nfs/dbraw/zinc/36/28/08/525362808.db2.gz ZCCDQWINAXMWSI-RBZFPXEDSA-N 1 2 320.480 0.079 10 0 DCAELO Cc1cnc(CCN(C)C(=O)NCC[NH+]2CCOCC2)s1 ZINC000162645886 525991843 /nfs/dbraw/zinc/99/18/43/525991843.db2.gz JBNGULNBKYEQQQ-UHFFFAOYSA-N 1 2 312.439 0.968 10 0 DCAELO Cc1cnc(CC[N@@H+](C)CC(=O)NCC(=O)N2CCCC2)s1 ZINC000157820038 525993202 /nfs/dbraw/zinc/99/32/02/525993202.db2.gz SCJPKWSQKOTWPI-UHFFFAOYSA-N 1 2 324.450 0.664 10 0 DCAELO Cc1cnc(CC[N@H+](C)CC(=O)NCC(=O)N2CCCC2)s1 ZINC000157820038 525993213 /nfs/dbraw/zinc/99/32/13/525993213.db2.gz SCJPKWSQKOTWPI-UHFFFAOYSA-N 1 2 324.450 0.664 10 0 DCAELO O=C(Nc1ccc(-n2cc[nH+]c2)nc1)C(=O)N1CCC[C@@H]1CO ZINC000121219290 527150629 /nfs/dbraw/zinc/15/06/29/527150629.db2.gz SBDOTBSIYXIGOG-GFCCVEGCSA-N 1 2 315.333 0.189 10 0 DCAELO CCOCC[N@@H+]1CCN(C(=O)CCc2nc[nH]n2)C[C@H]1CC ZINC000177216682 528736539 /nfs/dbraw/zinc/73/65/39/528736539.db2.gz HSUOKCQFYMOTBP-CYBMUJFWSA-N 1 2 309.414 0.697 10 0 DCAELO CCOCC[N@H+]1CCN(C(=O)CCc2nc[nH]n2)C[C@H]1CC ZINC000177216682 528736542 /nfs/dbraw/zinc/73/65/42/528736542.db2.gz HSUOKCQFYMOTBP-CYBMUJFWSA-N 1 2 309.414 0.697 10 0 DCAELO O=S(=O)(CC[C@@H]1CCCO1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000121918240 545749494 /nfs/dbraw/zinc/74/94/94/545749494.db2.gz SQMCZHDYFLIDJW-KBPBESRZSA-N 1 2 318.439 0.292 10 0 DCAELO O=C(CC[C@H]1CCCCO1)NC[C@H](O)C[NH+]1CCOCC1 ZINC000132359004 545792833 /nfs/dbraw/zinc/79/28/33/545792833.db2.gz RQRYIAWGVAAIND-UONOGXRCSA-N 1 2 300.399 0.145 10 0 DCAELO C[C@@H]1CN(C(=O)c2c(O)cc(F)cc2F)CC[N@@H+]1CCO ZINC000187268558 545915994 /nfs/dbraw/zinc/91/59/94/545915994.db2.gz RZZGAMFJRXAFIJ-SECBINFHSA-N 1 2 300.305 0.809 10 0 DCAELO C[C@@H]1CN(C(=O)c2c(O)cc(F)cc2F)CC[N@H+]1CCO ZINC000187268558 545915998 /nfs/dbraw/zinc/91/59/98/545915998.db2.gz RZZGAMFJRXAFIJ-SECBINFHSA-N 1 2 300.305 0.809 10 0 DCAELO CC[C@H](O)C[NH+]1CCN(C(=O)c2cn3ccnc3s2)CC1 ZINC000188456228 545917425 /nfs/dbraw/zinc/91/74/25/545917425.db2.gz LFWNSKJFCHGMAR-NSHDSACASA-N 1 2 308.407 0.925 10 0 DCAELO CCC(=O)N1CSC[C@H]1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000332787900 546060414 /nfs/dbraw/zinc/06/04/14/546060414.db2.gz OQBNQDNLFNTJHY-RYUDHWBXSA-N 1 2 315.439 0.135 10 0 DCAELO CCC(=O)N1CSC[C@H]1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000332787900 546060419 /nfs/dbraw/zinc/06/04/19/546060419.db2.gz OQBNQDNLFNTJHY-RYUDHWBXSA-N 1 2 315.439 0.135 10 0 DCAELO O=C(CCc1c[nH+]c[nH]1)NCc1cccc(N2CCOCC2)n1 ZINC000530297105 546288551 /nfs/dbraw/zinc/28/85/51/546288551.db2.gz KVRMKYXXXDPSEC-UHFFFAOYSA-N 1 2 315.377 0.890 10 0 DCAELO O=C(CCc1c[nH]c[nH+]1)NCc1cccc(N2CCOCC2)n1 ZINC000530297105 546288555 /nfs/dbraw/zinc/28/85/55/546288555.db2.gz KVRMKYXXXDPSEC-UHFFFAOYSA-N 1 2 315.377 0.890 10 0 DCAELO CCOC(=O)c1csc(CCNC(=O)Cc2c[nH+]cn2C)n1 ZINC000526062995 660717186 /nfs/dbraw/zinc/71/71/86/660717186.db2.gz NNCCZKQDNQOYCM-UHFFFAOYSA-N 1 2 322.390 0.955 10 0 DCAELO CCn1nc(C)c(C[N@@H+]2C[C@@H](OC)[C@H](c3cn(C)nn3)C2)n1 ZINC000888078338 658726720 /nfs/dbraw/zinc/72/67/20/658726720.db2.gz KIUDHFXOFYRDLD-SMDDNHRTSA-N 1 2 305.386 0.349 10 0 DCAELO CCn1nc(C)c(C[N@H+]2C[C@@H](OC)[C@H](c3cn(C)nn3)C2)n1 ZINC000888078338 658726722 /nfs/dbraw/zinc/72/67/22/658726722.db2.gz KIUDHFXOFYRDLD-SMDDNHRTSA-N 1 2 305.386 0.349 10 0 DCAELO O=S(=O)(C[C@H]1CCCO1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261828697 661732759 /nfs/dbraw/zinc/73/27/59/661732759.db2.gz YMPKCBSHIDQIQB-ZIAGYGMSSA-N 1 2 311.407 0.537 10 0 DCAELO O=C(N[C@@H]1CCCN(c2ncccn2)C1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263086871 662627058 /nfs/dbraw/zinc/62/70/58/662627058.db2.gz YBJWEQZEBPTAQK-MNOVXSKESA-N 1 2 311.336 0.559 10 0 DCAELO C[C@@H](CNC(=O)NC[C@H](O)c1ccsc1)[NH+]1CCOCC1 ZINC000153621811 664924301 /nfs/dbraw/zinc/92/43/01/664924301.db2.gz KDGVDOJMZFVSHZ-AAEUAGOBSA-N 1 2 313.423 0.801 10 0 DCAELO CC[S@@](=O)CCNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000735090623 666950092 /nfs/dbraw/zinc/95/00/92/666950092.db2.gz FOAIMIAKRQTTRF-OAQYLSRUSA-N 1 2 312.439 0.830 10 0 DCAELO Cn1cc(CNC[C@H]2C[N@H+](C)CCO2)c(Br)n1 ZINC000712490605 670149660 /nfs/dbraw/zinc/14/96/60/670149660.db2.gz HWKXSMBQBLCGKD-JTQLQIEISA-N 1 2 303.204 0.603 10 0 DCAELO Cn1cc(CNC[C@H]2C[N@@H+](C)CCO2)c(Br)n1 ZINC000712490605 670149661 /nfs/dbraw/zinc/14/96/61/670149661.db2.gz HWKXSMBQBLCGKD-JTQLQIEISA-N 1 2 303.204 0.603 10 0 DCAELO Cn1cc(Br)c(C[NH2+]C2CC(S(C)(=O)=O)C2)n1 ZINC000716140874 670228591 /nfs/dbraw/zinc/22/85/91/670228591.db2.gz XRWQSFHMXOTRNB-UHFFFAOYSA-N 1 2 322.228 0.848 10 0 DCAELO CCc1cnccc1C(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000328641672 529669964 /nfs/dbraw/zinc/66/99/64/529669964.db2.gz QRWZQTHEZIJBBU-ZDUSSCGKSA-N 1 2 320.393 0.952 10 0 DCAELO CCc1cnccc1C(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000328641672 529669966 /nfs/dbraw/zinc/66/99/66/529669966.db2.gz QRWZQTHEZIJBBU-ZDUSSCGKSA-N 1 2 320.393 0.952 10 0 DCAELO C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)Cc2ccccc2F)CCO1 ZINC000276427654 529852507 /nfs/dbraw/zinc/85/25/07/529852507.db2.gz LSHGCGWWYKIOQT-ZDUSSCGKSA-N 1 2 323.368 0.013 10 0 DCAELO C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)Cc2ccccc2F)CCO1 ZINC000276427654 529852508 /nfs/dbraw/zinc/85/25/08/529852508.db2.gz LSHGCGWWYKIOQT-ZDUSSCGKSA-N 1 2 323.368 0.013 10 0 DCAELO CNC(=O)[C@H](NC(=O)NCC(C)(C)[NH+]1CCOCC1)C(C)C ZINC000178440707 529919355 /nfs/dbraw/zinc/91/93/55/529919355.db2.gz BXRSCQUNRLBWFS-GFCCVEGCSA-N 1 2 314.430 0.167 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)c2ccccc2Cn2cncn2)C1 ZINC000172922277 198168316 /nfs/dbraw/zinc/16/83/16/198168316.db2.gz LJQYOSYYCTYZMG-CQSZACIVSA-N 1 2 315.377 0.387 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)c2ccccc2Cn2cncn2)C1 ZINC000172922277 198168318 /nfs/dbraw/zinc/16/83/18/198168318.db2.gz LJQYOSYYCTYZMG-CQSZACIVSA-N 1 2 315.377 0.387 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)NCCOC)nc[nH+]1 ZINC000174000068 198279396 /nfs/dbraw/zinc/27/93/96/198279396.db2.gz MXWMNGOOPGDBLQ-LLVKDONJSA-N 1 2 308.386 0.433 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)NCCOC)[nH+]cn1 ZINC000174000068 198279398 /nfs/dbraw/zinc/27/93/98/198279398.db2.gz MXWMNGOOPGDBLQ-LLVKDONJSA-N 1 2 308.386 0.433 10 0 DCAELO COC(=O)CCNC(=O)CN1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000106370694 291040559 /nfs/dbraw/zinc/04/05/59/291040559.db2.gz HRCHILSNSGNSHO-UHFFFAOYSA-N 1 2 322.409 0.581 10 0 DCAELO Cc1ccc(S(=O)(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1C ZINC000188733715 237376119 /nfs/dbraw/zinc/37/61/19/237376119.db2.gz RVIOKGGLKBFKKG-CQSZACIVSA-N 1 2 312.435 0.991 10 0 DCAELO Cc1ccc(S(=O)(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1C ZINC000188733715 237376124 /nfs/dbraw/zinc/37/61/24/237376124.db2.gz RVIOKGGLKBFKKG-CQSZACIVSA-N 1 2 312.435 0.991 10 0 DCAELO CCS(=O)(=O)NCC[N@@H+]1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000246694301 238160136 /nfs/dbraw/zinc/16/01/36/238160136.db2.gz MYOHLLWHGFNYPE-YNEHKIRRSA-N 1 2 306.428 0.194 10 0 DCAELO CCS(=O)(=O)NCC[N@H+]1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000246694301 238160138 /nfs/dbraw/zinc/16/01/38/238160138.db2.gz MYOHLLWHGFNYPE-YNEHKIRRSA-N 1 2 306.428 0.194 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)NCCCCNc2ccccn2)C1 ZINC000105279818 194092514 /nfs/dbraw/zinc/09/25/14/194092514.db2.gz DCOIYIJSMCGIJR-AWEZNQCLSA-N 1 2 321.425 0.904 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)NCCCCNc2ccccn2)C1 ZINC000105279818 194092516 /nfs/dbraw/zinc/09/25/16/194092516.db2.gz DCOIYIJSMCGIJR-AWEZNQCLSA-N 1 2 321.425 0.904 10 0 DCAELO O=C(C[N@@H+]1CCCN(c2cccnn2)CC1)NCc1ccco1 ZINC000105798403 194130018 /nfs/dbraw/zinc/13/00/18/194130018.db2.gz AXJXKUDECVMAJJ-UHFFFAOYSA-N 1 2 315.377 0.898 10 0 DCAELO O=C(C[N@H+]1CCCN(c2cccnn2)CC1)NCc1ccco1 ZINC000105798403 194130020 /nfs/dbraw/zinc/13/00/20/194130020.db2.gz AXJXKUDECVMAJJ-UHFFFAOYSA-N 1 2 315.377 0.898 10 0 DCAELO Cc1noc([C@@H](C)N2CC[NH+](CCN3C(=O)CCC3=O)CC2)n1 ZINC000105864556 194150729 /nfs/dbraw/zinc/15/07/29/194150729.db2.gz BCMGKPPBSSNGJK-LLVKDONJSA-N 1 2 321.381 0.206 10 0 DCAELO CNC(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1ccnc2ccccc12 ZINC000065434147 184344261 /nfs/dbraw/zinc/34/42/61/184344261.db2.gz SKLAOSXLAPDPLQ-HNNXBMFYSA-N 1 2 312.373 0.671 10 0 DCAELO CNC(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1ccnc2ccccc12 ZINC000065434147 184344262 /nfs/dbraw/zinc/34/42/62/184344262.db2.gz SKLAOSXLAPDPLQ-HNNXBMFYSA-N 1 2 312.373 0.671 10 0 DCAELO NC(=O)[C@@H]1C[C@H](F)CN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000347267698 254143334 /nfs/dbraw/zinc/14/33/34/254143334.db2.gz UDFJQPWAYLZZGI-KBPBESRZSA-N 1 2 316.336 0.969 10 0 DCAELO COc1cc2nc(NCCn3ccnn3)[nH+]c(N)c2cc1OC ZINC000302181907 533178241 /nfs/dbraw/zinc/17/82/41/533178241.db2.gz OAKVQJBKNALCDZ-UHFFFAOYSA-N 1 2 315.337 0.933 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)NCCc3cccnc3)C[C@H]21 ZINC000284214083 131059787 /nfs/dbraw/zinc/05/97/87/131059787.db2.gz ZRLKFGGLBZBCLI-CABCVRRESA-N 1 2 304.394 0.739 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)NCCc3cccnc3)C[C@H]21 ZINC000284214083 131059789 /nfs/dbraw/zinc/05/97/89/131059789.db2.gz ZRLKFGGLBZBCLI-CABCVRRESA-N 1 2 304.394 0.739 10 0 DCAELO C[C@H]1CN(C(=O)COCc2ccnn2C)C[C@H]1[NH+]1CCOCC1 ZINC000284238972 131062008 /nfs/dbraw/zinc/06/20/08/131062008.db2.gz FMSAPTRRLNUHPN-DZGCQCFKSA-N 1 2 322.409 0.116 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3ccc(C(N)=O)cc3)C[C@H]21 ZINC000284854354 131116550 /nfs/dbraw/zinc/11/65/50/131116550.db2.gz HUHCYMJFJYDNGT-ZIAGYGMSSA-N 1 2 318.377 0.722 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3ccc(C(N)=O)cc3)C[C@H]21 ZINC000284854354 131116551 /nfs/dbraw/zinc/11/65/51/131116551.db2.gz HUHCYMJFJYDNGT-ZIAGYGMSSA-N 1 2 318.377 0.722 10 0 DCAELO C[C@H](CNC=C1C(=O)NC(=O)c2ccccc21)[NH+]1CCOCC1 ZINC000032080277 395708954 /nfs/dbraw/zinc/70/89/54/395708954.db2.gz IJKATUPCMWWFFM-PKVLTRFUSA-N 1 2 315.373 0.608 10 0 DCAELO C[C@H]1c2cccn2CC[N@H+]1CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000032489191 395710967 /nfs/dbraw/zinc/71/09/67/395710967.db2.gz TUDNRFDHGVEKST-QWHCGFSZSA-N 1 2 304.394 0.589 10 0 DCAELO C[C@H]1c2cccn2CC[N@@H+]1CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000032489191 395710969 /nfs/dbraw/zinc/71/09/69/395710969.db2.gz TUDNRFDHGVEKST-QWHCGFSZSA-N 1 2 304.394 0.589 10 0 DCAELO CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2nc(N)nc(N)n2)CC1 ZINC000101549603 395765013 /nfs/dbraw/zinc/76/50/13/395765013.db2.gz FSWLXCBRYNXRDV-SNVBAGLBSA-N 1 2 321.429 0.409 10 0 DCAELO CC(C)c1n[nH]cc1C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000193759700 395778866 /nfs/dbraw/zinc/77/88/66/395778866.db2.gz DRXNOBWIKVIZFY-LBPRGKRZSA-N 1 2 310.398 0.298 10 0 DCAELO O=C(NCCCn1ccnn1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000193800191 395778972 /nfs/dbraw/zinc/77/89/72/395778972.db2.gz WZSGQUWXSMDISW-AWEZNQCLSA-N 1 2 307.398 0.428 10 0 DCAELO O=C(NCCCn1ccnn1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000193800191 395778975 /nfs/dbraw/zinc/77/89/75/395778975.db2.gz WZSGQUWXSMDISW-AWEZNQCLSA-N 1 2 307.398 0.428 10 0 DCAELO C[N@@H+]1CCO[C@H](CN[C@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000112548671 395818771 /nfs/dbraw/zinc/81/87/71/395818771.db2.gz HLPJAGLFVTTZPK-CVEARBPZSA-N 1 2 303.406 0.927 10 0 DCAELO C[N@H+]1CCO[C@H](CN[C@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000112548671 395818775 /nfs/dbraw/zinc/81/87/75/395818775.db2.gz HLPJAGLFVTTZPK-CVEARBPZSA-N 1 2 303.406 0.927 10 0 DCAELO CCOCCNC(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000115660191 395840930 /nfs/dbraw/zinc/84/09/30/395840930.db2.gz ASZJLMNBKUVGON-UHFFFAOYSA-N 1 2 323.441 0.901 10 0 DCAELO Cc1cccc(C)c1NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000118115274 395860449 /nfs/dbraw/zinc/86/04/49/395860449.db2.gz PSEVTEWBKNMHSE-CYBMUJFWSA-N 1 2 305.378 0.689 10 0 DCAELO Cc1cccc(C)c1NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000118115274 395860453 /nfs/dbraw/zinc/86/04/53/395860453.db2.gz PSEVTEWBKNMHSE-CYBMUJFWSA-N 1 2 305.378 0.689 10 0 DCAELO Cn1cc([C@H]2CCN(C(=O)NCC[NH+]3CCOCC3)C2)cn1 ZINC000116416238 395844088 /nfs/dbraw/zinc/84/40/88/395844088.db2.gz PLBGRDMGLVXJGU-ZDUSSCGKSA-N 1 2 307.398 0.251 10 0 DCAELO COCC[N@@H+]1CCN(C(=O)C(=O)Nc2cccnc2)C[C@@H]1C ZINC000117522750 395853087 /nfs/dbraw/zinc/85/30/87/395853087.db2.gz JNRPVUAQBRWYLD-LBPRGKRZSA-N 1 2 306.366 0.199 10 0 DCAELO COCC[N@H+]1CCN(C(=O)C(=O)Nc2cccnc2)C[C@@H]1C ZINC000117522750 395853089 /nfs/dbraw/zinc/85/30/89/395853089.db2.gz JNRPVUAQBRWYLD-LBPRGKRZSA-N 1 2 306.366 0.199 10 0 DCAELO COCCOc1cccc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000194604090 395800574 /nfs/dbraw/zinc/80/05/74/395800574.db2.gz QWFAIPGIEOHRBN-OAHLLOKOSA-N 1 2 308.378 0.772 10 0 DCAELO COCCOc1cccc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000194604090 395800575 /nfs/dbraw/zinc/80/05/75/395800575.db2.gz QWFAIPGIEOHRBN-OAHLLOKOSA-N 1 2 308.378 0.772 10 0 DCAELO CC(C)N(C)S(=O)(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000246430762 395950127 /nfs/dbraw/zinc/95/01/27/395950127.db2.gz GWMBQGIHHXDEJA-QWHCGFSZSA-N 1 2 305.444 0.224 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc([S@](C)=O)cc2)C[C@H]1C ZINC000246656681 395954912 /nfs/dbraw/zinc/95/49/12/395954912.db2.gz GVWJYNBYHIVQCA-IFMYKAFSSA-N 1 2 324.446 0.951 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc([S@](C)=O)cc2)C[C@H]1C ZINC000246656681 395954913 /nfs/dbraw/zinc/95/49/13/395954913.db2.gz GVWJYNBYHIVQCA-IFMYKAFSSA-N 1 2 324.446 0.951 10 0 DCAELO CS(=O)(=O)N[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(F)cc2F)C1 ZINC000247221638 395969586 /nfs/dbraw/zinc/96/95/86/395969586.db2.gz VOERAMHDFJEOFL-ZWNOBZJWSA-N 1 2 320.361 0.622 10 0 DCAELO CS(=O)(=O)N[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(F)cc2F)C1 ZINC000247221638 395969589 /nfs/dbraw/zinc/96/95/89/395969589.db2.gz VOERAMHDFJEOFL-ZWNOBZJWSA-N 1 2 320.361 0.622 10 0 DCAELO C[C@@H]([NH2+][C@@H](C)c1cn(-c2ccccc2)nn1)C(=O)NC(N)=O ZINC000151244097 395982809 /nfs/dbraw/zinc/98/28/09/395982809.db2.gz XSKKVGKTURPBTE-VHSXEESVSA-N 1 2 302.338 0.501 10 0 DCAELO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000248807201 395997927 /nfs/dbraw/zinc/99/79/27/395997927.db2.gz HCFDGBKVTRLLNO-JAAXMTQOSA-N 1 2 324.421 0.896 10 0 DCAELO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000248807201 395997928 /nfs/dbraw/zinc/99/79/28/395997928.db2.gz HCFDGBKVTRLLNO-JAAXMTQOSA-N 1 2 324.421 0.896 10 0 DCAELO C[C@@H](CNC(=O)c1ncn(-c2ccccc2)n1)[NH+]1CCOCC1 ZINC000154029308 396029767 /nfs/dbraw/zinc/02/97/67/396029767.db2.gz KDASHLLDFVHWTA-ZDUSSCGKSA-N 1 2 315.377 0.718 10 0 DCAELO C[C@H](CNC(=O)c1ncn(-c2ccccc2)n1)[NH+]1CCOCC1 ZINC000154029389 396029947 /nfs/dbraw/zinc/02/99/47/396029947.db2.gz KDASHLLDFVHWTA-CYBMUJFWSA-N 1 2 315.377 0.718 10 0 DCAELO COc1ccccc1CC(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000154139515 396032033 /nfs/dbraw/zinc/03/20/33/396032033.db2.gz XLCWQCVLPUEPFV-CQSZACIVSA-N 1 2 308.378 0.047 10 0 DCAELO O=C(CCc1ccc(F)cc1)NC[C@H](O)C[NH+]1CCOCC1 ZINC000154151580 396032857 /nfs/dbraw/zinc/03/28/57/396032857.db2.gz ACHXXCIKFGZOAE-HNNXBMFYSA-N 1 2 310.369 0.568 10 0 DCAELO COCCC(=O)N1CCC([N@@H+]2CC(F)(F)C[C@H]2CO)CC1 ZINC000257192056 396035168 /nfs/dbraw/zinc/03/51/68/396035168.db2.gz QGBODUSBMRHXBT-LBPRGKRZSA-N 1 2 306.353 0.716 10 0 DCAELO COCCC(=O)N1CCC([N@H+]2CC(F)(F)C[C@H]2CO)CC1 ZINC000257192056 396035171 /nfs/dbraw/zinc/03/51/71/396035171.db2.gz QGBODUSBMRHXBT-LBPRGKRZSA-N 1 2 306.353 0.716 10 0 DCAELO C[N@@H+]1C[C@H](O)C[C@H]1c1nnc2n1CCN(C(=O)C1CCC1)CC2 ZINC000257194018 396035824 /nfs/dbraw/zinc/03/58/24/396035824.db2.gz SJHUYMBWJKSQMS-OLZOCXBDSA-N 1 2 319.409 0.200 10 0 DCAELO C[N@H+]1C[C@H](O)C[C@H]1c1nnc2n1CCN(C(=O)C1CCC1)CC2 ZINC000257194018 396035827 /nfs/dbraw/zinc/03/58/27/396035827.db2.gz SJHUYMBWJKSQMS-OLZOCXBDSA-N 1 2 319.409 0.200 10 0 DCAELO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+]2C[C@@H](O)C[C@@H]2CO)c1C ZINC000249380095 396006830 /nfs/dbraw/zinc/00/68/30/396006830.db2.gz ZUOJZNDMXOGQBJ-UHTWSYAYSA-N 1 2 308.378 0.833 10 0 DCAELO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+]2C[C@@H](O)C[C@@H]2CO)c1C ZINC000249380095 396006833 /nfs/dbraw/zinc/00/68/33/396006833.db2.gz ZUOJZNDMXOGQBJ-UHTWSYAYSA-N 1 2 308.378 0.833 10 0 DCAELO NC(=O)[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(c2ccccc2)=N1 ZINC000066560539 396009464 /nfs/dbraw/zinc/00/94/64/396009464.db2.gz OMBIWOVKECFKPO-AWEZNQCLSA-N 1 2 300.362 0.573 10 0 DCAELO NC(=O)[C@@H]1CCC[N@H+]1CC(=O)N1CCC(c2ccccc2)=N1 ZINC000066560539 396009465 /nfs/dbraw/zinc/00/94/65/396009465.db2.gz OMBIWOVKECFKPO-AWEZNQCLSA-N 1 2 300.362 0.573 10 0 DCAELO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000276582947 396012549 /nfs/dbraw/zinc/01/25/49/396012549.db2.gz NIYHSHIJSWUZMU-VNQPRFMTSA-N 1 2 319.405 0.996 10 0 DCAELO Cn1cc([C@H]2CCCN2C(=O)NC[C@H]2C[N@H+](C)CCO2)cn1 ZINC000170924223 396101324 /nfs/dbraw/zinc/10/13/24/396101324.db2.gz YJBAKVLCVSPELB-UONOGXRCSA-N 1 2 307.398 0.597 10 0 DCAELO Cn1cc([C@H]2CCCN2C(=O)NC[C@H]2C[N@@H+](C)CCO2)cn1 ZINC000170924223 396101331 /nfs/dbraw/zinc/10/13/31/396101331.db2.gz YJBAKVLCVSPELB-UONOGXRCSA-N 1 2 307.398 0.597 10 0 DCAELO C[C@@H](NC(N)=O)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000070666717 396102685 /nfs/dbraw/zinc/10/26/85/396102685.db2.gz ORZHRIKLQGQWRB-LHRNQBEKSA-N 1 2 316.405 0.901 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCCN(CC(F)F)CC2)C1 ZINC000161716909 396077630 /nfs/dbraw/zinc/07/76/30/396077630.db2.gz ZCJXHLHMNVGGPJ-LBPRGKRZSA-N 1 2 320.384 0.299 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)N2CCCN(CC(F)F)CC2)C1 ZINC000161716909 396077635 /nfs/dbraw/zinc/07/76/35/396077635.db2.gz ZCJXHLHMNVGGPJ-LBPRGKRZSA-N 1 2 320.384 0.299 10 0 DCAELO O=S(=O)(Cc1cn2cc(Cl)ccc2[nH+]1)C[C@H](O)CO ZINC000176708977 396158977 /nfs/dbraw/zinc/15/89/77/396158977.db2.gz AORIWXFHXVAAPD-SNVBAGLBSA-N 1 2 304.755 0.256 10 0 DCAELO COc1c2cnn(C)c2ncc1C(=O)NCCn1cc[nH+]c1 ZINC000181620432 396240671 /nfs/dbraw/zinc/24/06/71/396240671.db2.gz UPCFKUIPVKCIAI-UHFFFAOYSA-N 1 2 300.322 0.603 10 0 DCAELO CC[C@H](CO)[NH+]1CCN(C(=O)c2cccc3n[nH]nc32)CC1 ZINC000180180661 396232174 /nfs/dbraw/zinc/23/21/74/396232174.db2.gz GCCGWQBFTOINIZ-LLVKDONJSA-N 1 2 303.366 0.487 10 0 DCAELO CC[C@H](CO)[NH+]1CCN(C(=O)c2cccc3nn[nH]c32)CC1 ZINC000180180661 396232177 /nfs/dbraw/zinc/23/21/77/396232177.db2.gz GCCGWQBFTOINIZ-LLVKDONJSA-N 1 2 303.366 0.487 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(-c3nc[nH]n3)cc2)C1 ZINC000185099688 396317345 /nfs/dbraw/zinc/31/73/45/396317345.db2.gz JTFOHYBERJIZGJ-CYBMUJFWSA-N 1 2 301.350 0.532 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)c2ccc(-c3nc[nH]n3)cc2)C1 ZINC000185099688 396317349 /nfs/dbraw/zinc/31/73/49/396317349.db2.gz JTFOHYBERJIZGJ-CYBMUJFWSA-N 1 2 301.350 0.532 10 0 DCAELO C[C@H](NC(N)=O)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000283194272 396317949 /nfs/dbraw/zinc/31/79/49/396317949.db2.gz FZVLIEMVMSAYMI-NWDGAFQWSA-N 1 2 319.409 0.982 10 0 DCAELO COc1cccc(CNC(=O)C[N@@H+]2CCO[C@@]3(CCOC3)C2)c1 ZINC000185145037 396319702 /nfs/dbraw/zinc/31/97/02/396319702.db2.gz JIOYYJXMFAGCIO-KRWDZBQOSA-N 1 2 320.389 0.803 10 0 DCAELO COc1cccc(CNC(=O)C[N@H+]2CCO[C@@]3(CCOC3)C2)c1 ZINC000185145037 396319705 /nfs/dbraw/zinc/31/97/05/396319705.db2.gz JIOYYJXMFAGCIO-KRWDZBQOSA-N 1 2 320.389 0.803 10 0 DCAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)C(=O)NC(C)(C)C ZINC000184319365 396290368 /nfs/dbraw/zinc/29/03/68/396290368.db2.gz YQOHVBHCVZVWPK-QWHCGFSZSA-N 1 2 313.442 0.907 10 0 DCAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)C(=O)NC(C)(C)C ZINC000184319365 396290371 /nfs/dbraw/zinc/29/03/71/396290371.db2.gz YQOHVBHCVZVWPK-QWHCGFSZSA-N 1 2 313.442 0.907 10 0 DCAELO Cc1ccccc1Cc1noc(C[N@@H+]2C[C@H](O)C[C@@H]2CO)n1 ZINC000185145854 396319920 /nfs/dbraw/zinc/31/99/20/396319920.db2.gz CZRPQLAYFZQXCM-ZIAGYGMSSA-N 1 2 303.362 0.896 10 0 DCAELO Cc1ccccc1Cc1noc(C[N@H+]2C[C@H](O)C[C@@H]2CO)n1 ZINC000185145854 396319922 /nfs/dbraw/zinc/31/99/22/396319922.db2.gz CZRPQLAYFZQXCM-ZIAGYGMSSA-N 1 2 303.362 0.896 10 0 DCAELO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000184733355 396304047 /nfs/dbraw/zinc/30/40/47/396304047.db2.gz JXVYATSFWRFXNS-FBIMIBRVSA-N 1 2 300.305 0.719 10 0 DCAELO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000184733355 396304048 /nfs/dbraw/zinc/30/40/48/396304048.db2.gz JXVYATSFWRFXNS-FBIMIBRVSA-N 1 2 300.305 0.719 10 0 DCAELO CCOCCCNC(=O)[C@@H](C)[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185207620 396321693 /nfs/dbraw/zinc/32/16/93/396321693.db2.gz YEKSFPUUFCPWGV-UKRRQHHQSA-N 1 2 300.399 0.409 10 0 DCAELO CCOCCCNC(=O)[C@@H](C)[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185207620 396321694 /nfs/dbraw/zinc/32/16/94/396321694.db2.gz YEKSFPUUFCPWGV-UKRRQHHQSA-N 1 2 300.399 0.409 10 0 DCAELO COC(=O)CN(CC[NH+]1CCOCC1)C(=O)[C@H]1C[C@H]1C(C)C ZINC000185452452 396328374 /nfs/dbraw/zinc/32/83/74/396328374.db2.gz HGNRDKWOWHDJCI-KBPBESRZSA-N 1 2 312.410 0.612 10 0 DCAELO C[C@@]1(C(N)=O)CCCC[N@@H+]1CC(=O)NC(=O)NCc1ccco1 ZINC000185930637 396338031 /nfs/dbraw/zinc/33/80/31/396338031.db2.gz IPPAKIIRPNVNCI-HNNXBMFYSA-N 1 2 322.365 0.335 10 0 DCAELO C[C@@]1(C(N)=O)CCCC[N@H+]1CC(=O)NC(=O)NCc1ccco1 ZINC000185930637 396338033 /nfs/dbraw/zinc/33/80/33/396338033.db2.gz IPPAKIIRPNVNCI-HNNXBMFYSA-N 1 2 322.365 0.335 10 0 DCAELO COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186445054 396349878 /nfs/dbraw/zinc/34/98/78/396349878.db2.gz IXHGSMYVYRARQH-QWHCGFSZSA-N 1 2 303.362 0.929 10 0 DCAELO Cc1nc(CC(C)C)oc1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000189043451 396389727 /nfs/dbraw/zinc/38/97/27/396389727.db2.gz VWRJZWYMXYXRDU-ZDUSSCGKSA-N 1 2 306.410 0.911 10 0 DCAELO COc1ccc(CNC(=O)C[N@@H+]2CCCNC(=O)[C@@H]2C)cc1 ZINC000189322179 396393475 /nfs/dbraw/zinc/39/34/75/396393475.db2.gz GYBCXGAGUALKKD-LBPRGKRZSA-N 1 2 305.378 0.522 10 0 DCAELO COc1ccc(CNC(=O)C[N@H+]2CCCNC(=O)[C@@H]2C)cc1 ZINC000189322179 396393477 /nfs/dbraw/zinc/39/34/77/396393477.db2.gz GYBCXGAGUALKKD-LBPRGKRZSA-N 1 2 305.378 0.522 10 0 DCAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1n[nH]c2c1CCCCC2 ZINC000190101443 396401983 /nfs/dbraw/zinc/40/19/83/396401983.db2.gz RIOLFZUZFOFDFA-GFCCVEGCSA-N 1 2 322.409 0.102 10 0 DCAELO Cc1cc(C)n(C[C@@H]2C[N@H+](CCN3CCO[C@H](C)C3)CCO2)n1 ZINC000191486881 396420421 /nfs/dbraw/zinc/42/04/21/396420421.db2.gz RTLIAZLJSHWNRJ-SJORKVTESA-N 1 2 322.453 0.921 10 0 DCAELO Cc1cc(C)n(C[C@@H]2C[N@@H+](CCN3CCO[C@H](C)C3)CCO2)n1 ZINC000191486881 396420424 /nfs/dbraw/zinc/42/04/24/396420424.db2.gz RTLIAZLJSHWNRJ-SJORKVTESA-N 1 2 322.453 0.921 10 0 DCAELO CCOC(=O)C1(COC)CC[NH+](Cc2nnc(C)n2C)CC1 ZINC000373803413 396615098 /nfs/dbraw/zinc/61/50/98/396615098.db2.gz DEQCIETURUOTGR-UHFFFAOYSA-N 1 2 310.398 0.915 10 0 DCAELO Cc1ccc(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)c(=O)n1C ZINC000563888756 396789388 /nfs/dbraw/zinc/78/93/88/396789388.db2.gz KLCZXNNQFSQISS-CYBMUJFWSA-N 1 2 300.362 0.769 10 0 DCAELO Nc1[nH+]cnc(N[C@H]2CCN(C3CCOCC3)C2=O)c1Cl ZINC000375428053 396744146 /nfs/dbraw/zinc/74/41/46/396744146.db2.gz SAPNFCXZFOKHNO-VIFPVBQESA-N 1 2 311.773 0.904 10 0 DCAELO Nc1nc[nH+]c(N[C@H]2CCN(C3CCOCC3)C2=O)c1Cl ZINC000375428053 396744154 /nfs/dbraw/zinc/74/41/54/396744154.db2.gz SAPNFCXZFOKHNO-VIFPVBQESA-N 1 2 311.773 0.904 10 0 DCAELO CCOC(=O)C[C@H](O)C[NH+]1CCC(CS(C)(=O)=O)CC1 ZINC000312709848 396766453 /nfs/dbraw/zinc/76/64/53/396766453.db2.gz PENXOEGDCWSLFB-LBPRGKRZSA-N 1 2 307.412 0.057 10 0 DCAELO O=S(=O)(C[C@@H]1CCCCO1)NC[C@H]1CCn2cc[nH+]c2C1 ZINC000328618981 396824048 /nfs/dbraw/zinc/82/40/48/396824048.db2.gz FJSGEWHWFPUYBN-STQMWFEESA-N 1 2 313.423 0.934 10 0 DCAELO Cc1ccc(CC(=O)N(CC(N)=O)C[C@H]2C[N@H+](C)CCO2)cn1 ZINC000328621440 396824166 /nfs/dbraw/zinc/82/41/66/396824166.db2.gz ALQRHRNMVABLSZ-CQSZACIVSA-N 1 2 320.393 0.627 10 0 DCAELO Cc1ccc(CC(=O)N(CC(N)=O)C[C@H]2C[N@@H+](C)CCO2)cn1 ZINC000328621440 396824174 /nfs/dbraw/zinc/82/41/74/396824174.db2.gz ALQRHRNMVABLSZ-CQSZACIVSA-N 1 2 320.393 0.627 10 0 DCAELO Cn1cnnc1[C@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)CCO1 ZINC000328629245 396826012 /nfs/dbraw/zinc/82/60/12/396826012.db2.gz IATSTYFFOPKWIF-LSDHHAIUSA-N 1 2 302.378 0.792 10 0 DCAELO Cn1cnnc1[C@H]1C[N@@H+](C[C@@H](O)Cc2ccccc2)CCO1 ZINC000328629245 396826024 /nfs/dbraw/zinc/82/60/24/396826024.db2.gz IATSTYFFOPKWIF-LSDHHAIUSA-N 1 2 302.378 0.792 10 0 DCAELO Cn1cnnc1[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)CCO1 ZINC000328629243 396827176 /nfs/dbraw/zinc/82/71/76/396827176.db2.gz IATSTYFFOPKWIF-GJZGRUSLSA-N 1 2 302.378 0.792 10 0 DCAELO Cn1cnnc1[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccccc2)CCO1 ZINC000328629243 396827180 /nfs/dbraw/zinc/82/71/80/396827180.db2.gz IATSTYFFOPKWIF-GJZGRUSLSA-N 1 2 302.378 0.792 10 0 DCAELO CCN1CCN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@@H]1c1[nH+]ccn1C ZINC000328643394 396828439 /nfs/dbraw/zinc/82/84/39/396828439.db2.gz YWBZIRCYPRLFPZ-QWHCGFSZSA-N 1 2 319.409 0.104 10 0 DCAELO CCCC[C@H](C(=O)OC)[NH+]1CCN(Cc2nnc(C)[nH]2)CC1 ZINC000611430792 396866358 /nfs/dbraw/zinc/86/63/58/396866358.db2.gz BTQTZMCTWDPZCY-CYBMUJFWSA-N 1 2 309.414 0.963 10 0 DCAELO COC(=O)[C@@H](O)C1CC[NH+](Cc2nnc(C)n2C2CC2)CC1 ZINC000610995379 396799716 /nfs/dbraw/zinc/79/97/16/396799716.db2.gz BIJTWTNTKGYKKX-AWEZNQCLSA-N 1 2 308.382 0.667 10 0 DCAELO c1c(CNCCC[NH+]2CCOCC2)nnn1C[C@H]1CCOC1 ZINC000631029763 397158201 /nfs/dbraw/zinc/15/82/01/397158201.db2.gz FASKNCLPIUXUFR-CQSZACIVSA-N 1 2 309.414 0.127 10 0 DCAELO CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+]1CCOCC[C@H]1C ZINC000378512078 397250175 /nfs/dbraw/zinc/25/01/75/397250175.db2.gz YQNCSDVKIMMKIG-LLVKDONJSA-N 1 2 324.381 0.646 10 0 DCAELO CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+]1CCOCC[C@H]1C ZINC000378512078 397250180 /nfs/dbraw/zinc/25/01/80/397250180.db2.gz YQNCSDVKIMMKIG-LLVKDONJSA-N 1 2 324.381 0.646 10 0 DCAELO C[C@H](C[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@H]1O)CS(C)(=O)=O ZINC000408041293 397344650 /nfs/dbraw/zinc/34/46/50/397344650.db2.gz GAKLGZSBDVWAJO-XJFOESAGSA-N 1 2 305.440 0.529 10 0 DCAELO C[C@H](C[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@H]1O)CS(C)(=O)=O ZINC000408041293 397344651 /nfs/dbraw/zinc/34/46/51/397344651.db2.gz GAKLGZSBDVWAJO-XJFOESAGSA-N 1 2 305.440 0.529 10 0 DCAELO C[C@H](C[N@@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O)CS(C)(=O)=O ZINC000408043387 397345293 /nfs/dbraw/zinc/34/52/93/397345293.db2.gz KFUKPKYLLLZUCR-BARDWOONSA-N 1 2 319.467 0.919 10 0 DCAELO C[C@H](C[N@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O)CS(C)(=O)=O ZINC000408043387 397345297 /nfs/dbraw/zinc/34/52/97/397345297.db2.gz KFUKPKYLLLZUCR-BARDWOONSA-N 1 2 319.467 0.919 10 0 DCAELO COCC[N@@H+]1CCN(S(=O)(=O)N2CCCC[C@H]2C)C[C@@H]1C ZINC000408183777 397348909 /nfs/dbraw/zinc/34/89/09/397348909.db2.gz UEYFKARSQATKAY-KGLIPLIRSA-N 1 2 319.471 0.758 10 0 DCAELO COCC[N@H+]1CCN(S(=O)(=O)N2CCCC[C@H]2C)C[C@@H]1C ZINC000408183777 397348912 /nfs/dbraw/zinc/34/89/12/397348912.db2.gz UEYFKARSQATKAY-KGLIPLIRSA-N 1 2 319.471 0.758 10 0 DCAELO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1c(Cl)cnn1C ZINC000408381999 397355753 /nfs/dbraw/zinc/35/57/53/397355753.db2.gz AZIGXJMVLBGHDB-RKDXNWHRSA-N 1 2 306.819 0.787 10 0 DCAELO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1c(Cl)cnn1C ZINC000408381999 397355759 /nfs/dbraw/zinc/35/57/59/397355759.db2.gz AZIGXJMVLBGHDB-RKDXNWHRSA-N 1 2 306.819 0.787 10 0 DCAELO NS(=O)(=O)N1CCC(C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000603883658 397625436 /nfs/dbraw/zinc/62/54/36/397625436.db2.gz IONJGDGQDQNZGS-UHFFFAOYSA-N 1 2 323.378 0.188 10 0 DCAELO Cc1nnc(CN2CC[NH+]([C@H](C)C(=O)NCC(C)C)CC2)[nH]1 ZINC000605422319 397664593 /nfs/dbraw/zinc/66/45/93/397664593.db2.gz VLZQZBAKYHYVPD-GFCCVEGCSA-N 1 2 308.430 0.391 10 0 DCAELO CCC(C)(C)[C@H](O)C(=O)N[C@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC000606444868 397681286 /nfs/dbraw/zinc/68/12/86/397681286.db2.gz BYVZHASKCADMFI-SWLSCSKDSA-N 1 2 323.437 0.954 10 0 DCAELO O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000606936278 397691187 /nfs/dbraw/zinc/69/11/87/397691187.db2.gz IVCKCMGMQHZJIL-SRVKXCTJSA-N 1 2 313.316 0.806 10 0 DCAELO O[C@H](COC[C@@H]1CCCO1)C[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000606936278 397691190 /nfs/dbraw/zinc/69/11/90/397691190.db2.gz IVCKCMGMQHZJIL-SRVKXCTJSA-N 1 2 313.316 0.806 10 0 DCAELO NC(=O)c1ccc(C(=O)NCc2cccnc2-n2cc[nH+]c2)nc1 ZINC000063537495 158031770 /nfs/dbraw/zinc/03/17/70/158031770.db2.gz IKKRGDVZEBFHPS-UHFFFAOYSA-N 1 2 322.328 0.691 10 0 DCAELO CN(C[C@H]1CCCO1)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000076322998 158065276 /nfs/dbraw/zinc/06/52/76/158065276.db2.gz ONMOEVNUMRDEMB-OAHLLOKOSA-N 1 2 318.421 0.841 10 0 DCAELO Cc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000083700427 158087150 /nfs/dbraw/zinc/08/71/50/158087150.db2.gz QVLZPOLZBDVAAX-AAEUAGOBSA-N 1 2 322.413 0.441 10 0 DCAELO O=C(/C=C/c1ccc2c(c1)OCO2)NC[C@H]1C[NH+]2CCN1CC2 ZINC000090698572 158104658 /nfs/dbraw/zinc/10/46/58/158104658.db2.gz CZFZXASBWZSRNY-PMUGQKEBSA-N 1 2 315.373 0.545 10 0 DCAELO CC(C)CCC(=O)NCC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000114858037 158158173 /nfs/dbraw/zinc/15/81/73/158158173.db2.gz QNGMBEQCDVSKLT-AWEZNQCLSA-N 1 2 311.426 0.518 10 0 DCAELO CC(C)CCC(=O)NCC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000114858037 158158175 /nfs/dbraw/zinc/15/81/75/158158175.db2.gz QNGMBEQCDVSKLT-AWEZNQCLSA-N 1 2 311.426 0.518 10 0 DCAELO CCc1nc2n(n1)C[C@@H](NC(=O)NCCCn1cc[nH+]c1)CC2 ZINC000114907999 158159256 /nfs/dbraw/zinc/15/92/56/158159256.db2.gz INNATKCSKPHITE-LBPRGKRZSA-N 1 2 317.397 0.741 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)c2cccc(-n3cccn3)c2)C1 ZINC000116739835 158165279 /nfs/dbraw/zinc/16/52/79/158165279.db2.gz BYTASDDUABETRS-OAHLLOKOSA-N 1 2 300.362 0.933 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)c2cccc(-n3cccn3)c2)C1 ZINC000116739835 158165281 /nfs/dbraw/zinc/16/52/81/158165281.db2.gz BYTASDDUABETRS-OAHLLOKOSA-N 1 2 300.362 0.933 10 0 DCAELO CS(=O)(=O)N[C@@H]1CC[N@H+](CC(=O)NC2CCCCC2)C1 ZINC000116890685 158168616 /nfs/dbraw/zinc/16/86/16/158168616.db2.gz DHEBTMYRJFGHSP-GFCCVEGCSA-N 1 2 303.428 0.059 10 0 DCAELO CS(=O)(=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CCCCC2)C1 ZINC000116890685 158168618 /nfs/dbraw/zinc/16/86/18/158168618.db2.gz DHEBTMYRJFGHSP-GFCCVEGCSA-N 1 2 303.428 0.059 10 0 DCAELO CC1CCC(NC(=O)C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)CC1 ZINC000116890030 158169033 /nfs/dbraw/zinc/16/90/33/158169033.db2.gz RQDMAFCDVMPZKV-BPCQOVAHSA-N 1 2 317.455 0.305 10 0 DCAELO CC1CCC(NC(=O)C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)CC1 ZINC000116890030 158169038 /nfs/dbraw/zinc/16/90/38/158169038.db2.gz RQDMAFCDVMPZKV-BPCQOVAHSA-N 1 2 317.455 0.305 10 0 DCAELO COCCS(=O)(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000122111830 158219106 /nfs/dbraw/zinc/21/91/06/158219106.db2.gz NVBWZQSLOVOTSM-GFCCVEGCSA-N 1 2 301.412 0.651 10 0 DCAELO Cc1[nH]nc2ncc(C(=O)NC[C@H]3C[N@@H+](C4CC4)CCO3)cc12 ZINC000127391176 158272192 /nfs/dbraw/zinc/27/21/92/158272192.db2.gz DYSOTRHTQYLTBI-ZDUSSCGKSA-N 1 2 315.377 0.859 10 0 DCAELO Cc1[nH]nc2ncc(C(=O)NC[C@H]3C[N@H+](C4CC4)CCO3)cc12 ZINC000127391176 158272195 /nfs/dbraw/zinc/27/21/95/158272195.db2.gz DYSOTRHTQYLTBI-ZDUSSCGKSA-N 1 2 315.377 0.859 10 0 DCAELO CCOC(=O)C[N@@H+]1CCCN(C(=O)c2c[nH]c(=O)cc2C)CC1 ZINC000127288095 158273326 /nfs/dbraw/zinc/27/33/26/158273326.db2.gz LEQWKNXHZQZLNU-UHFFFAOYSA-N 1 2 321.377 0.394 10 0 DCAELO CCOC(=O)C[N@H+]1CCCN(C(=O)c2c[nH]c(=O)cc2C)CC1 ZINC000127288095 158273327 /nfs/dbraw/zinc/27/33/27/158273327.db2.gz LEQWKNXHZQZLNU-UHFFFAOYSA-N 1 2 321.377 0.394 10 0 DCAELO CN(CC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)C(N)=O ZINC000131081967 158299043 /nfs/dbraw/zinc/29/90/43/158299043.db2.gz CAQKNEHLHFGKPQ-UHFFFAOYSA-N 1 2 305.313 0.638 10 0 DCAELO COCCN1C[C@@H](C(=O)NCc2[nH+]ccn2CC(C)C)CC1=O ZINC000131494359 158303320 /nfs/dbraw/zinc/30/33/20/158303320.db2.gz SZLNTZVAXLHDME-ZDUSSCGKSA-N 1 2 322.409 0.650 10 0 DCAELO CC(C)(O)C[NH+]1CCN(C(=O)[C@H]2CCCc3[nH]ncc32)CC1 ZINC000135405108 158336393 /nfs/dbraw/zinc/33/63/93/158336393.db2.gz AAONHYKILWUEFO-LBPRGKRZSA-N 1 2 306.410 0.745 10 0 DCAELO CCn1cc[nH+]c1CN1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135691743 158340170 /nfs/dbraw/zinc/34/01/70/158340170.db2.gz YRFOZLDPCCQWQQ-ZDUSSCGKSA-N 1 2 312.439 0.903 10 0 DCAELO Cc1c(CCC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cnn1C ZINC000136088886 158341754 /nfs/dbraw/zinc/34/17/54/158341754.db2.gz DFFPMZNWBWHMRA-OAHLLOKOSA-N 1 2 306.410 0.594 10 0 DCAELO Cc1nn(C)c(Cl)c1C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172744393 158398334 /nfs/dbraw/zinc/39/83/34/158398334.db2.gz PBVYSWSYTLMOHK-NSHDSACASA-N 1 2 312.801 0.929 10 0 DCAELO O=C(Nc1ccccc1)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172767153 158399526 /nfs/dbraw/zinc/39/95/26/158399526.db2.gz VWFDXFBSYQEQFM-AWEZNQCLSA-N 1 2 303.362 0.558 10 0 DCAELO CC[S@@](=O)c1ccccc1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000194615562 158599018 /nfs/dbraw/zinc/59/90/18/158599018.db2.gz CJIMGCZDBSLQDU-XUSGNXJCSA-N 1 2 310.419 0.875 10 0 DCAELO CC[S@@](=O)c1ccccc1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000194615562 158599019 /nfs/dbraw/zinc/59/90/19/158599019.db2.gz CJIMGCZDBSLQDU-XUSGNXJCSA-N 1 2 310.419 0.875 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(S(=O)(=O)C[C@H]3CCCCO3)C[C@@H]21 ZINC000328812870 159031453 /nfs/dbraw/zinc/03/14/53/159031453.db2.gz BOGZCUGRARYSBR-HZSPNIEDSA-N 1 2 318.439 0.290 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(S(=O)(=O)C[C@H]3CCCCO3)C[C@@H]21 ZINC000328812870 159031454 /nfs/dbraw/zinc/03/14/54/159031454.db2.gz BOGZCUGRARYSBR-HZSPNIEDSA-N 1 2 318.439 0.290 10 0 DCAELO Cc1cc(CS(=O)(=O)NC[C@@H](C)C[NH+]2CCOCC2)no1 ZINC000328830921 159033068 /nfs/dbraw/zinc/03/30/68/159033068.db2.gz KCYRNFNYKKEVLC-LLVKDONJSA-N 1 2 317.411 0.371 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)CCOC3CCOCC3)C[C@H]21 ZINC000328858567 159034866 /nfs/dbraw/zinc/03/48/66/159034866.db2.gz DORYZHBAIGWORD-HUUCEWRRSA-N 1 2 312.410 0.504 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)CCOC3CCOCC3)C[C@H]21 ZINC000328858567 159034867 /nfs/dbraw/zinc/03/48/67/159034867.db2.gz DORYZHBAIGWORD-HUUCEWRRSA-N 1 2 312.410 0.504 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccnc(C4CC4)n3)C[C@@H]21 ZINC000328911003 159040858 /nfs/dbraw/zinc/04/08/58/159040858.db2.gz NVOLZMURZPFUKJ-KBPBESRZSA-N 1 2 302.378 0.899 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccnc(C4CC4)n3)C[C@@H]21 ZINC000328911003 159040859 /nfs/dbraw/zinc/04/08/59/159040859.db2.gz NVOLZMURZPFUKJ-KBPBESRZSA-N 1 2 302.378 0.899 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(Cc3nnnn3CC(F)(F)F)C[C@@H]21 ZINC000328926895 159042547 /nfs/dbraw/zinc/04/25/47/159042547.db2.gz WSFRUBCHISBPFZ-UWVGGRQHSA-N 1 2 320.319 0.140 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(Cc3nnnn3CC(F)(F)F)C[C@@H]21 ZINC000328926895 159042549 /nfs/dbraw/zinc/04/25/49/159042549.db2.gz WSFRUBCHISBPFZ-UWVGGRQHSA-N 1 2 320.319 0.140 10 0 DCAELO CN1CCO[C@H]2CC[N@H+](Cc3nnnn3CC(F)(F)F)C[C@@H]21 ZINC000328926895 159042551 /nfs/dbraw/zinc/04/25/51/159042551.db2.gz WSFRUBCHISBPFZ-UWVGGRQHSA-N 1 2 320.319 0.140 10 0 DCAELO CN1CCO[C@H]2CC[N@@H+](Cc3nnnn3CC(F)(F)F)C[C@@H]21 ZINC000328926895 159042552 /nfs/dbraw/zinc/04/25/52/159042552.db2.gz WSFRUBCHISBPFZ-UWVGGRQHSA-N 1 2 320.319 0.140 10 0 DCAELO C[C@H](C(=O)N1CCC(N2CCCC2=O)CC1)[NH+]1CCOCC1 ZINC000329092460 159061347 /nfs/dbraw/zinc/06/13/47/159061347.db2.gz JWECSDWOMNADME-CYBMUJFWSA-N 1 2 309.410 0.321 10 0 DCAELO COc1ccc(CC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)nc1 ZINC000329169931 159069741 /nfs/dbraw/zinc/06/97/41/159069741.db2.gz JKTMOFGJTUKRNG-LSDHHAIUSA-N 1 2 305.378 0.564 10 0 DCAELO COc1ccc(CC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)nc1 ZINC000329169931 159069743 /nfs/dbraw/zinc/06/97/43/159069743.db2.gz JKTMOFGJTUKRNG-LSDHHAIUSA-N 1 2 305.378 0.564 10 0 DCAELO O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CCC[C@](F)(CO)C1 ZINC000329198096 159072631 /nfs/dbraw/zinc/07/26/31/159072631.db2.gz AGYBUGVYYYZSHS-GOEBONIOSA-N 1 2 314.401 0.953 10 0 DCAELO O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CCC[C@](F)(CO)C1 ZINC000329198096 159072634 /nfs/dbraw/zinc/07/26/34/159072634.db2.gz AGYBUGVYYYZSHS-GOEBONIOSA-N 1 2 314.401 0.953 10 0 DCAELO CN(C(=O)[C@H]1COCC[N@@H+]1CC1CCC1)[C@@H]1CCN(C)C1=O ZINC000329286326 159079229 /nfs/dbraw/zinc/07/92/29/159079229.db2.gz MBVCHTUNDQUXMU-ZIAGYGMSSA-N 1 2 309.410 0.176 10 0 DCAELO CN(C(=O)[C@H]1COCC[N@H+]1CC1CCC1)[C@@H]1CCN(C)C1=O ZINC000329286326 159079231 /nfs/dbraw/zinc/07/92/31/159079231.db2.gz MBVCHTUNDQUXMU-ZIAGYGMSSA-N 1 2 309.410 0.176 10 0 DCAELO CN1CC[C@H]([NH2+]Cc2nn(C)c(=O)[nH]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000329785064 159119693 /nfs/dbraw/zinc/11/96/93/159119693.db2.gz PTIRJJKQVYKTPB-JSGCOSHPSA-N 1 2 323.347 0.922 10 0 DCAELO CCn1cnc(S(=O)(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000329988692 159133843 /nfs/dbraw/zinc/13/38/43/159133843.db2.gz HLDCCELFHKQULF-LBPRGKRZSA-N 1 2 314.411 0.045 10 0 DCAELO CCn1cnc(S(=O)(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000329988692 159133844 /nfs/dbraw/zinc/13/38/44/159133844.db2.gz HLDCCELFHKQULF-LBPRGKRZSA-N 1 2 314.411 0.045 10 0 DCAELO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2nccnc2N)C1 ZINC000330158804 159146160 /nfs/dbraw/zinc/14/61/60/159146160.db2.gz QGKFHURKMRCSKS-LLVKDONJSA-N 1 2 300.366 0.887 10 0 DCAELO Cc1cn2c([nH+]1)[C@@H](CNC(=O)NC[C@]1(O)CCOC1)CCC2 ZINC000332748963 159212377 /nfs/dbraw/zinc/21/23/77/159212377.db2.gz YDAMVQJLHGFMSS-IUODEOHRSA-N 1 2 308.382 0.520 10 0 DCAELO CS(=O)(=O)N1CC[NH+](CCCO[C@@H]2CCCCO2)CC1 ZINC000407979775 160001610 /nfs/dbraw/zinc/00/16/10/160001610.db2.gz AWKQOARPADJQRH-CYBMUJFWSA-N 1 2 306.428 0.497 10 0 DCAELO CC(C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCN(C)CC2)C1 ZINC000407979107 160001718 /nfs/dbraw/zinc/00/17/18/160001718.db2.gz PEWOFBJAQGIGII-HUUCEWRRSA-N 1 2 324.469 0.386 10 0 DCAELO CCCCN(C)S(=O)(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000408017384 160012553 /nfs/dbraw/zinc/01/25/53/160012553.db2.gz RQYMVRPQQDYBHD-OLZOCXBDSA-N 1 2 305.444 0.368 10 0 DCAELO CCCCN(C)S(=O)(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000408017384 160012555 /nfs/dbraw/zinc/01/25/55/160012555.db2.gz RQYMVRPQQDYBHD-OLZOCXBDSA-N 1 2 305.444 0.368 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)CCNC(=O)C(C)(C)C)C[C@H]21 ZINC000408024013 160014978 /nfs/dbraw/zinc/01/49/78/160014978.db2.gz WYQIADXTDKFQQI-OLZOCXBDSA-N 1 2 311.426 0.470 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)CCNC(=O)C(C)(C)C)C[C@H]21 ZINC000408024013 160014980 /nfs/dbraw/zinc/01/49/80/160014980.db2.gz WYQIADXTDKFQQI-OLZOCXBDSA-N 1 2 311.426 0.470 10 0 DCAELO Cc1noc([C@@H]2C[N@H+]([C@H](C)C(=O)NC(C)(C)C)CCN2C)n1 ZINC000408033903 160017308 /nfs/dbraw/zinc/01/73/08/160017308.db2.gz BRYFNSFKYZJFCU-PWSUYJOCSA-N 1 2 309.414 0.970 10 0 DCAELO Cc1noc([C@@H]2C[N@@H+]([C@H](C)C(=O)NC(C)(C)C)CCN2C)n1 ZINC000408033903 160017309 /nfs/dbraw/zinc/01/73/09/160017309.db2.gz BRYFNSFKYZJFCU-PWSUYJOCSA-N 1 2 309.414 0.970 10 0 DCAELO Cc1nnc2ccc(C(=O)N3CC[C@H]([NH+]4CCOCC4)C3)cn12 ZINC000408061614 160026532 /nfs/dbraw/zinc/02/65/32/160026532.db2.gz KUAYCGCIKTVFPH-AWEZNQCLSA-N 1 2 315.377 0.584 10 0 DCAELO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C2 ZINC000408103694 160036747 /nfs/dbraw/zinc/03/67/47/160036747.db2.gz IVMCYEVPJJTHLI-QWRGUYRKSA-N 1 2 304.394 0.890 10 0 DCAELO CC(=O)N1CCC[C@H](C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000408150948 160048277 /nfs/dbraw/zinc/04/82/77/160048277.db2.gz NRDWHCFOUANLNR-AWEZNQCLSA-N 1 2 319.409 0.312 10 0 DCAELO CC[C@@H]1CN(C(=O)c2c[nH]cc(C)c2=O)C[C@@H]1[NH+]1CCOCC1 ZINC000408169593 160051869 /nfs/dbraw/zinc/05/18/69/160051869.db2.gz RJXFMJQAHPRCQC-HIFRSBDPSA-N 1 2 319.405 0.866 10 0 DCAELO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)CC(F)(F)F)C[C@H]1C ZINC000408318486 160083964 /nfs/dbraw/zinc/08/39/64/160083964.db2.gz ZMHIEUUTYPWWHZ-RKDXNWHRSA-N 1 2 304.334 0.265 10 0 DCAELO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)CC(F)(F)F)C[C@H]1C ZINC000408318486 160083966 /nfs/dbraw/zinc/08/39/66/160083966.db2.gz ZMHIEUUTYPWWHZ-RKDXNWHRSA-N 1 2 304.334 0.265 10 0 DCAELO Cc1nc(C[N@@H+](C)[C@H]2CCCN(S(C)(=O)=O)CC2)no1 ZINC000408337331 160087759 /nfs/dbraw/zinc/08/77/59/160087759.db2.gz BWNVZUWHHREAOC-NSHDSACASA-N 1 2 302.400 0.624 10 0 DCAELO Cc1nc(C[N@H+](C)[C@H]2CCCN(S(C)(=O)=O)CC2)no1 ZINC000408337331 160087762 /nfs/dbraw/zinc/08/77/62/160087762.db2.gz BWNVZUWHHREAOC-NSHDSACASA-N 1 2 302.400 0.624 10 0 DCAELO CNS(=O)(=O)c1csc(C(=O)N2CC[N@H+](C)C[C@@H]2C)c1 ZINC000408347231 160088978 /nfs/dbraw/zinc/08/89/78/160088978.db2.gz XYBJCHFOZABGMY-VIFPVBQESA-N 1 2 317.436 0.432 10 0 DCAELO CNS(=O)(=O)c1csc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000408347231 160088979 /nfs/dbraw/zinc/08/89/79/160088979.db2.gz XYBJCHFOZABGMY-VIFPVBQESA-N 1 2 317.436 0.432 10 0 DCAELO CC(C)(NS(C)(=O)=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000408399672 160100116 /nfs/dbraw/zinc/10/01/16/160100116.db2.gz JRLXRONJYFXLSV-UHFFFAOYSA-N 1 2 314.411 0.444 10 0 DCAELO CC(C)(NS(C)(=O)=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000408399672 160100118 /nfs/dbraw/zinc/10/01/18/160100118.db2.gz JRLXRONJYFXLSV-UHFFFAOYSA-N 1 2 314.411 0.444 10 0 DCAELO CCOCC[N@@H+]1CCN(C(=O)C(=O)Nc2ccon2)C[C@@H]1C ZINC000185822375 287057354 /nfs/dbraw/zinc/05/73/54/287057354.db2.gz SQJHANYAWCXHPV-NSHDSACASA-N 1 2 310.354 0.182 10 0 DCAELO CCOCC[N@H+]1CCN(C(=O)C(=O)Nc2ccon2)C[C@@H]1C ZINC000185822375 287057356 /nfs/dbraw/zinc/05/73/56/287057356.db2.gz SQJHANYAWCXHPV-NSHDSACASA-N 1 2 310.354 0.182 10 0 DCAELO C[C@@H](C(=O)NC1CCCCC1)[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247201238 287092022 /nfs/dbraw/zinc/09/20/22/287092022.db2.gz TUWSSFBFYVBXSG-WCQYABFASA-N 1 2 317.455 0.447 10 0 DCAELO C[C@@H](C(=O)NC1CCCCC1)[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247201238 287092025 /nfs/dbraw/zinc/09/20/25/287092025.db2.gz TUWSSFBFYVBXSG-WCQYABFASA-N 1 2 317.455 0.447 10 0 DCAELO C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247249106 287092424 /nfs/dbraw/zinc/09/24/24/287092424.db2.gz XPBJLGINLHDZKL-JHJVBQTASA-N 1 2 317.455 0.305 10 0 DCAELO C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247249106 287092425 /nfs/dbraw/zinc/09/24/25/287092425.db2.gz XPBJLGINLHDZKL-JHJVBQTASA-N 1 2 317.455 0.305 10 0 DCAELO COCC[N@@H+]1CCN(C(=O)N[C@H](C)C[S@@](C)=O)C[C@@H]1C ZINC000248506717 287098079 /nfs/dbraw/zinc/09/80/79/287098079.db2.gz WYDPHBQCDLECJI-XAAFQQQXSA-N 1 2 305.444 0.116 10 0 DCAELO COCC[N@H+]1CCN(C(=O)N[C@H](C)C[S@@](C)=O)C[C@@H]1C ZINC000248506717 287098081 /nfs/dbraw/zinc/09/80/81/287098081.db2.gz WYDPHBQCDLECJI-XAAFQQQXSA-N 1 2 305.444 0.116 10 0 DCAELO Cn1nnc(C[N@@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)n1 ZINC000248647570 287099040 /nfs/dbraw/zinc/09/90/40/287099040.db2.gz ILKIHBHCHOWMKP-TUAOUCFPSA-N 1 2 322.413 0.945 10 0 DCAELO Cn1nnc(C[N@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)n1 ZINC000248647570 287099041 /nfs/dbraw/zinc/09/90/41/287099041.db2.gz ILKIHBHCHOWMKP-TUAOUCFPSA-N 1 2 322.413 0.945 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)N2CCC[C@@H]2C)C[C@@H]1C ZINC000248695600 287100240 /nfs/dbraw/zinc/10/02/40/287100240.db2.gz JPASBIDBDNCZTJ-AVGNSLFASA-N 1 2 305.444 0.102 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)N2CCC[C@@H]2C)C[C@@H]1C ZINC000248695600 287100243 /nfs/dbraw/zinc/10/02/43/287100243.db2.gz JPASBIDBDNCZTJ-AVGNSLFASA-N 1 2 305.444 0.102 10 0 DCAELO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000268153500 415169279 /nfs/dbraw/zinc/16/92/79/415169279.db2.gz PGENRJFBZNWYAB-LLVKDONJSA-N 1 2 314.411 0.490 10 0 DCAELO COC(=O)CCN1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000063996413 415349244 /nfs/dbraw/zinc/34/92/44/415349244.db2.gz YEDQRRPBGGNOPU-CYBMUJFWSA-N 1 2 311.426 0.614 10 0 DCAELO CCCCN1C(=O)N=NC1S(=O)(=O)Cc1[nH+]ccn1CC ZINC000081532798 415485028 /nfs/dbraw/zinc/48/50/28/415485028.db2.gz ZFQVWNLQTYQKAU-UHFFFAOYSA-N 1 2 313.383 0.974 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@H]3CCCn4ncnc43)C[C@H]21 ZINC000332760270 415465414 /nfs/dbraw/zinc/46/54/14/415465414.db2.gz QEFJKWHWPQUVEG-YNEHKIRRSA-N 1 2 320.397 0.228 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@H]3CCCn4ncnc43)C[C@H]21 ZINC000332760270 415465418 /nfs/dbraw/zinc/46/54/18/415465418.db2.gz QEFJKWHWPQUVEG-YNEHKIRRSA-N 1 2 320.397 0.228 10 0 DCAELO Cc1ccc(C(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)s1 ZINC000276549333 415477043 /nfs/dbraw/zinc/47/70/43/415477043.db2.gz RYWRQSFEWUYNGP-LLVKDONJSA-N 1 2 311.407 0.315 10 0 DCAELO Cc1ccc(C(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)s1 ZINC000276549333 415477049 /nfs/dbraw/zinc/47/70/49/415477049.db2.gz RYWRQSFEWUYNGP-LLVKDONJSA-N 1 2 311.407 0.315 10 0 DCAELO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000333108663 415559632 /nfs/dbraw/zinc/55/96/32/415559632.db2.gz DOZOQGVPBQLHON-QPSCCSFWSA-N 1 2 316.467 0.893 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@H]3CCCc4c[nH]nc43)C[C@H]21 ZINC000285532462 415615593 /nfs/dbraw/zinc/61/55/93/415615593.db2.gz NSYGEMAVVPSXES-BFHYXJOUSA-N 1 2 319.409 0.902 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@H]3CCCc4c[nH]nc43)C[C@H]21 ZINC000285532462 415615599 /nfs/dbraw/zinc/61/55/99/415615599.db2.gz NSYGEMAVVPSXES-BFHYXJOUSA-N 1 2 319.409 0.902 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3nnc4ccccc4n3)C[C@@H]21 ZINC000286552997 415630392 /nfs/dbraw/zinc/63/03/92/415630392.db2.gz XJSYGFHYTDBLOO-KBPBESRZSA-N 1 2 313.361 0.570 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)c3nnc4ccccc4n3)C[C@@H]21 ZINC000286552997 415630399 /nfs/dbraw/zinc/63/03/99/415630399.db2.gz XJSYGFHYTDBLOO-KBPBESRZSA-N 1 2 313.361 0.570 10 0 DCAELO CC(=O)N[C@H](C(=O)N1CCN(Cc2[nH+]ccn2C)CC1)C(C)C ZINC000106033108 415635408 /nfs/dbraw/zinc/63/54/08/415635408.db2.gz NUKJJLKGUNDVTG-HNNXBMFYSA-N 1 2 321.425 0.225 10 0 DCAELO Cc1nnc(CN2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C ZINC000105928169 415635778 /nfs/dbraw/zinc/63/57/78/415635778.db2.gz CAOIBXCPBYORLZ-CYBMUJFWSA-N 1 2 320.441 0.252 10 0 DCAELO CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCN(C(=O)C3CC3)C2)C1 ZINC000333540589 415678606 /nfs/dbraw/zinc/67/86/06/415678606.db2.gz NVESATNHAAOXOU-GFCCVEGCSA-N 1 2 315.439 0.170 10 0 DCAELO CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCN(C(=O)C3CC3)C2)C1 ZINC000333540589 415678612 /nfs/dbraw/zinc/67/86/12/415678612.db2.gz NVESATNHAAOXOU-GFCCVEGCSA-N 1 2 315.439 0.170 10 0 DCAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@@H]1CC(=O)N(C)C1)C2 ZINC000112667558 415716347 /nfs/dbraw/zinc/71/63/47/415716347.db2.gz DMIFNJVVNPOENV-LLVKDONJSA-N 1 2 304.394 0.907 10 0 DCAELO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000123286369 415840179 /nfs/dbraw/zinc/84/01/79/415840179.db2.gz JETLKGMIOQUBSC-CQSZACIVSA-N 1 2 319.471 0.496 10 0 DCAELO Cn1cc(Br)c(C(=O)NC[C@@H]2C[N@H+](C)CCO2)n1 ZINC000292608445 415849951 /nfs/dbraw/zinc/84/99/51/415849951.db2.gz GQBKIYFZCJPDON-MRVPVSSYSA-N 1 2 317.187 0.243 10 0 DCAELO Cn1cc(Br)c(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000292608445 415849958 /nfs/dbraw/zinc/84/99/58/415849958.db2.gz GQBKIYFZCJPDON-MRVPVSSYSA-N 1 2 317.187 0.243 10 0 DCAELO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1CCCc2n[nH]cc21 ZINC000134297640 415956657 /nfs/dbraw/zinc/95/66/57/415956657.db2.gz XAPDEFWZAGNMMU-STQMWFEESA-N 1 2 305.426 0.582 10 0 DCAELO Cc1cc(-n2cncn2)ccc1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000173339079 416057293 /nfs/dbraw/zinc/05/72/93/416057293.db2.gz DGOHRQKGSRCMEZ-CQSZACIVSA-N 1 2 315.377 0.636 10 0 DCAELO Cc1cc(-n2cncn2)ccc1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000173339079 416057296 /nfs/dbraw/zinc/05/72/96/416057296.db2.gz DGOHRQKGSRCMEZ-CQSZACIVSA-N 1 2 315.377 0.636 10 0 DCAELO Cc1nnc([C@H]2CN(C(=O)c3ccc4[nH+]ccn4c3)CCO2)[nH]1 ZINC000173549912 416059798 /nfs/dbraw/zinc/05/97/98/416059798.db2.gz UCNZVDFASMRRLA-GFCCVEGCSA-N 1 2 312.333 0.975 10 0 DCAELO Cc1nc([C@H]2CN(C(=O)c3ccc4[nH+]ccn4c3)CCO2)n[nH]1 ZINC000173549912 416059804 /nfs/dbraw/zinc/05/98/04/416059804.db2.gz UCNZVDFASMRRLA-GFCCVEGCSA-N 1 2 312.333 0.975 10 0 DCAELO C[C@@H]1CN(C(=O)C[NH+]2CCN(Cc3ccon3)CC2)C[C@H](C)O1 ZINC000173936779 416069978 /nfs/dbraw/zinc/06/99/78/416069978.db2.gz PDRGBQISMMPSOJ-OKILXGFUSA-N 1 2 322.409 0.428 10 0 DCAELO CCc1nc(C2(NC[C@@H](O)C[NH+]3CCOCC3)CCCC2)no1 ZINC000174236379 416076235 /nfs/dbraw/zinc/07/62/35/416076235.db2.gz XVRUTXFKMCGNHF-CYBMUJFWSA-N 1 2 324.425 0.684 10 0 DCAELO CCc1nc(C2([NH2+]C[C@@H](O)CN3CCOCC3)CCCC2)no1 ZINC000174236379 416076238 /nfs/dbraw/zinc/07/62/38/416076238.db2.gz XVRUTXFKMCGNHF-CYBMUJFWSA-N 1 2 324.425 0.684 10 0 DCAELO COCc1csc(NC(=O)NC[C@H]2C[N@H+](C)CCO2)n1 ZINC000174367455 416077751 /nfs/dbraw/zinc/07/77/51/416077751.db2.gz XWMTZCLSFWUUGC-JTQLQIEISA-N 1 2 300.384 0.742 10 0 DCAELO COCc1csc(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)n1 ZINC000174367455 416077754 /nfs/dbraw/zinc/07/77/54/416077754.db2.gz XWMTZCLSFWUUGC-JTQLQIEISA-N 1 2 300.384 0.742 10 0 DCAELO COC(=O)[C@@H]1CCC[C@H](C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000174869419 416088297 /nfs/dbraw/zinc/08/82/97/416088297.db2.gz AMILQAXINLSALW-GZBFAFLISA-N 1 2 324.421 0.945 10 0 DCAELO COC(=O)[C@@H]1CCC[C@H](C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000174869419 416088299 /nfs/dbraw/zinc/08/82/99/416088299.db2.gz AMILQAXINLSALW-GZBFAFLISA-N 1 2 324.421 0.945 10 0 DCAELO C[C@@H](CS(C)(=O)=O)NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174901153 416090653 /nfs/dbraw/zinc/09/06/53/416090653.db2.gz PMEQGSVICZUFJH-RYUDHWBXSA-N 1 2 301.412 0.075 10 0 DCAELO C[C@@H](O)CC(C)(C)CNC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000175004115 416094575 /nfs/dbraw/zinc/09/45/75/416094575.db2.gz WHJREHLKZWCQFW-CHWSQXEVSA-N 1 2 301.431 0.803 10 0 DCAELO CC(=O)N(C)c1cccc(NC(=O)C(=O)N2CC[NH+](C)CC2)c1 ZINC000175076427 416095549 /nfs/dbraw/zinc/09/55/49/416095549.db2.gz UCTPZBLNDKXBED-UHFFFAOYSA-N 1 2 318.377 0.382 10 0 DCAELO C[C@@H]1C[N@@H+]([C@@H](CNC(=O)NCCO)c2cccs2)CCO1 ZINC000175053244 416095917 /nfs/dbraw/zinc/09/59/17/416095917.db2.gz KRHRGQHSPOMHQB-NEPJUHHUSA-N 1 2 313.423 0.801 10 0 DCAELO C[C@@H]1C[N@H+]([C@@H](CNC(=O)NCCO)c2cccs2)CCO1 ZINC000175053244 416095919 /nfs/dbraw/zinc/09/59/19/416095919.db2.gz KRHRGQHSPOMHQB-NEPJUHHUSA-N 1 2 313.423 0.801 10 0 DCAELO C[C@@H](C(=O)NCC(F)(F)F)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000175588304 416110760 /nfs/dbraw/zinc/11/07/60/416110760.db2.gz UUJJRSXSCMWHDA-WOPDTQHZSA-N 1 2 323.359 0.706 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@](O)(C(F)(F)F)C2)C1 ZINC000176051869 416118512 /nfs/dbraw/zinc/11/85/12/416118512.db2.gz PZMSDJUDVKZJMT-MWLCHTKSSA-N 1 2 311.304 0.026 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@](O)(C(F)(F)F)C2)C1 ZINC000176051869 416118515 /nfs/dbraw/zinc/11/85/15/416118515.db2.gz PZMSDJUDVKZJMT-MWLCHTKSSA-N 1 2 311.304 0.026 10 0 DCAELO C[C@H](CNC(=O)N[C@@H]1CCCn2ncnc21)[NH+]1CCOCC1 ZINC000176396002 416126413 /nfs/dbraw/zinc/12/64/13/416126413.db2.gz QNNQZFIYMAYABD-VXGBXAGGSA-N 1 2 308.386 0.133 10 0 DCAELO CC(C)Cn1cc[nH+]c1CNC(=O)[C@H](C)CS(C)(=O)=O ZINC000176898595 416136850 /nfs/dbraw/zinc/13/68/50/416136850.db2.gz LRMWRZVVPBVPGF-LLVKDONJSA-N 1 2 301.412 0.836 10 0 DCAELO CC(C)NC(=O)CCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177382035 416144984 /nfs/dbraw/zinc/14/49/84/416144984.db2.gz XMLGMQMKBGLEAV-CYBMUJFWSA-N 1 2 307.398 0.972 10 0 DCAELO CC(C)Oc1cccnc1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178720201 416170704 /nfs/dbraw/zinc/17/07/04/416170704.db2.gz RXVDRZYCHOFMNR-CYBMUJFWSA-N 1 2 304.394 0.598 10 0 DCAELO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1cc(F)cc2[nH]cnc21 ZINC000178974619 416179972 /nfs/dbraw/zinc/17/99/72/416179972.db2.gz RGJQGTZHBQPPKW-NSHDSACASA-N 1 2 303.341 0.432 10 0 DCAELO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1cc(F)cc2nc[nH]c21 ZINC000178974619 416179975 /nfs/dbraw/zinc/17/99/75/416179975.db2.gz RGJQGTZHBQPPKW-NSHDSACASA-N 1 2 303.341 0.432 10 0 DCAELO Cc1cc(C)n(C[C@H]2CN([C@@H](C)C[NH+]3CCOCC3)CCO2)n1 ZINC000180478734 416198264 /nfs/dbraw/zinc/19/82/64/416198264.db2.gz HDZBVVHMWVMATN-DLBZAZTESA-N 1 2 322.453 0.921 10 0 DCAELO Cc1n[nH]c(C)c1S(=O)(=O)N1CC[NH2+]C[C@H]1c1cnn(C)c1 ZINC000181703272 416212487 /nfs/dbraw/zinc/21/24/87/416212487.db2.gz AHNWKVZCQGNKQU-LBPRGKRZSA-N 1 2 324.410 0.095 10 0 DCAELO O=C(/C=C/c1cncc(O)c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000182055146 416214340 /nfs/dbraw/zinc/21/43/40/416214340.db2.gz QYOXQUPXKBPJAB-VSZDKKFSSA-N 1 2 303.362 0.734 10 0 DCAELO COCc1noc(CN2CCCC[C@@H]2C[NH+]2CCOCC2)n1 ZINC000182368866 416219601 /nfs/dbraw/zinc/21/96/01/416219601.db2.gz HHFRBWZLPNQUEX-CYBMUJFWSA-N 1 2 310.398 0.903 10 0 DCAELO COCc1noc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)n1 ZINC000182368866 416219605 /nfs/dbraw/zinc/21/96/05/416219605.db2.gz HHFRBWZLPNQUEX-CYBMUJFWSA-N 1 2 310.398 0.903 10 0 DCAELO COCc1noc(C[N@H+]2CCCC[C@@H]2CN2CCOCC2)n1 ZINC000182368866 416219608 /nfs/dbraw/zinc/21/96/08/416219608.db2.gz HHFRBWZLPNQUEX-CYBMUJFWSA-N 1 2 310.398 0.903 10 0 DCAELO Cc1ccc([C@@H](C)[NH2+]Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)o1 ZINC000182565301 416226543 /nfs/dbraw/zinc/22/65/43/416226543.db2.gz HONMTCSBPMDTFQ-SECBINFHSA-N 1 2 317.349 0.713 10 0 DCAELO NS(=O)(=O)CCC[N@@H+]1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000178405520 416163269 /nfs/dbraw/zinc/16/32/69/416163269.db2.gz GNQZSJOEOJMPBN-NWDGAFQWSA-N 1 2 318.395 0.083 10 0 DCAELO NS(=O)(=O)CCC[N@H+]1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000178405520 416163272 /nfs/dbraw/zinc/16/32/72/416163272.db2.gz GNQZSJOEOJMPBN-NWDGAFQWSA-N 1 2 318.395 0.083 10 0 DCAELO CCc1noc(C)c1NC(=O)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000190041322 416272992 /nfs/dbraw/zinc/27/29/92/416272992.db2.gz FNJSQVBBIVDLGG-JTQLQIEISA-N 1 2 324.381 0.009 10 0 DCAELO CCc1noc(C)c1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000190041322 416272994 /nfs/dbraw/zinc/27/29/94/416272994.db2.gz FNJSQVBBIVDLGG-JTQLQIEISA-N 1 2 324.381 0.009 10 0 DCAELO Cc1cccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1 ZINC000190031109 416273839 /nfs/dbraw/zinc/27/38/39/416273839.db2.gz FVDURCFNFOLBCC-CYBMUJFWSA-N 1 2 305.378 0.459 10 0 DCAELO Cc1cccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1 ZINC000190031109 416273842 /nfs/dbraw/zinc/27/38/42/416273842.db2.gz FVDURCFNFOLBCC-CYBMUJFWSA-N 1 2 305.378 0.459 10 0 DCAELO Cc1ccccc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000190036229 416274507 /nfs/dbraw/zinc/27/45/07/416274507.db2.gz QLXNBHVBHBOAKT-ZDUSSCGKSA-N 1 2 305.378 0.459 10 0 DCAELO Cc1ccccc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000190036229 416274511 /nfs/dbraw/zinc/27/45/11/416274511.db2.gz QLXNBHVBHBOAKT-ZDUSSCGKSA-N 1 2 305.378 0.459 10 0 DCAELO CCc1ccccc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000190039514 416274726 /nfs/dbraw/zinc/27/47/26/416274726.db2.gz VSENHICBJAASDA-ZDUSSCGKSA-N 1 2 319.405 0.713 10 0 DCAELO CCc1ccccc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000190039514 416274729 /nfs/dbraw/zinc/27/47/29/416274729.db2.gz VSENHICBJAASDA-ZDUSSCGKSA-N 1 2 319.405 0.713 10 0 DCAELO CCC[C@@H]1C[C@H](C(=O)NC[C@H](O)C[NH+]2CCOCC2)CCO1 ZINC000183202112 416238429 /nfs/dbraw/zinc/23/84/29/416238429.db2.gz LGPGQDHOVPOUSB-QLFBSQMISA-N 1 2 314.426 0.391 10 0 DCAELO CC1=C(C(=O)NC[C@H]2C[N@H+](C)CCO2)[C@H](C)n2ncnc2N1C ZINC000192197361 416300873 /nfs/dbraw/zinc/30/08/73/416300873.db2.gz ORAJMJILDQXNBG-RYUDHWBXSA-N 1 2 320.397 0.010 10 0 DCAELO CC1=C(C(=O)NC[C@H]2C[N@@H+](C)CCO2)[C@H](C)n2ncnc2N1C ZINC000192197361 416300878 /nfs/dbraw/zinc/30/08/78/416300878.db2.gz ORAJMJILDQXNBG-RYUDHWBXSA-N 1 2 320.397 0.010 10 0 DCAELO O=C(Nc1ccc2cc[nH]c2c1)C(=O)N1CC[NH+](CCO)CC1 ZINC000193249944 416314037 /nfs/dbraw/zinc/31/40/37/416314037.db2.gz QWZQDBHBLCREDT-UHFFFAOYSA-N 1 2 316.361 0.243 10 0 DCAELO Cc1csc2c1ncn(C[C@H](O)C[NH+]1CCOCC1)c2=O ZINC000195253104 416325691 /nfs/dbraw/zinc/32/56/91/416325691.db2.gz XSDXLMXPQHSDJD-LLVKDONJSA-N 1 2 309.391 0.460 10 0 DCAELO C[C@@H]1CN(CC(=O)N(C)CC(F)(F)F)C[C@H]1[NH+]1CCOCC1 ZINC000246322742 416331883 /nfs/dbraw/zinc/33/18/83/416331883.db2.gz DDJBNFJSXIXZJS-VXGBXAGGSA-N 1 2 323.359 0.660 10 0 DCAELO O=C(C1CCC1)N1CC[NH+](CCNc2ncc(F)cn2)CC1 ZINC000533468004 416488497 /nfs/dbraw/zinc/48/84/97/416488497.db2.gz FNHFKZIAFKWRGI-UHFFFAOYSA-N 1 2 307.373 0.972 10 0 DCAELO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000361205124 416425386 /nfs/dbraw/zinc/42/53/86/416425386.db2.gz PVCAXPSYWFCUJV-WUHRBBMRSA-N 1 2 313.398 0.489 10 0 DCAELO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000361205124 416425388 /nfs/dbraw/zinc/42/53/88/416425388.db2.gz PVCAXPSYWFCUJV-WUHRBBMRSA-N 1 2 313.398 0.489 10 0 DCAELO O=C1Nc2ccccc2CC[C@H]1[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000361769976 416493935 /nfs/dbraw/zinc/49/39/35/416493935.db2.gz VEDQSZGRDCTKAF-GDBMZVCRSA-N 1 2 301.390 0.956 10 0 DCAELO O=C1Nc2ccccc2CC[C@H]1[N@H+]1CCN2CCOC[C@H]2C1 ZINC000361769976 416493940 /nfs/dbraw/zinc/49/39/40/416493940.db2.gz VEDQSZGRDCTKAF-GDBMZVCRSA-N 1 2 301.390 0.956 10 0 DCAELO Cc1ccc(-c2noc(C[N@@H+]3CC[C@@H](S(N)(=O)=O)C3)n2)cc1 ZINC000540062259 416587180 /nfs/dbraw/zinc/58/71/80/416587180.db2.gz QZKHXOUSOHOIGR-GFCCVEGCSA-N 1 2 322.390 0.908 10 0 DCAELO Cc1ccc(-c2noc(C[N@H+]3CC[C@@H](S(N)(=O)=O)C3)n2)cc1 ZINC000540062259 416587182 /nfs/dbraw/zinc/58/71/82/416587182.db2.gz QZKHXOUSOHOIGR-GFCCVEGCSA-N 1 2 322.390 0.908 10 0 DCAELO O=C1CNC(=O)N1CC[N@@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000519264395 416899009 /nfs/dbraw/zinc/89/90/09/416899009.db2.gz WSGLWRMQANACRX-CQSZACIVSA-N 1 2 319.361 0.318 10 0 DCAELO O=C1CNC(=O)N1CC[N@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000519264395 416899018 /nfs/dbraw/zinc/89/90/18/416899018.db2.gz WSGLWRMQANACRX-CQSZACIVSA-N 1 2 319.361 0.318 10 0 DCAELO O=S(=O)(c1ccccc1)N1CC[NH2+]C[C@H]1c1ccnnc1 ZINC000616604087 417085328 /nfs/dbraw/zinc/08/53/28/417085328.db2.gz KHSFQBHDHUTNBL-AWEZNQCLSA-N 1 2 304.375 0.812 10 0 DCAELO C[C@H](O)CC[N@@H+]1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000450581312 417240243 /nfs/dbraw/zinc/24/02/43/417240243.db2.gz DXBCICWFFKFBNP-STQMWFEESA-N 1 2 318.373 0.754 10 0 DCAELO C[C@H](O)CC[N@H+]1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000450581312 417240251 /nfs/dbraw/zinc/24/02/51/417240251.db2.gz DXBCICWFFKFBNP-STQMWFEESA-N 1 2 318.373 0.754 10 0 DCAELO CCOC(=O)[C@@H]1C[N@H+](Cc2nnnn2C2CC2)CC12COC2 ZINC000451125740 417302747 /nfs/dbraw/zinc/30/27/47/417302747.db2.gz NZSLOUKMUJURQP-NSHDSACASA-N 1 2 307.354 0.020 10 0 DCAELO CCOC(=O)[C@@H]1C[N@@H+](Cc2nnnn2C2CC2)CC12COC2 ZINC000451125740 417302754 /nfs/dbraw/zinc/30/27/54/417302754.db2.gz NZSLOUKMUJURQP-NSHDSACASA-N 1 2 307.354 0.020 10 0 DCAELO CCOC(=O)[C@@H]1C[N@H+](Cc2nc(C3CC3)no2)CC12COC2 ZINC000451129586 417303976 /nfs/dbraw/zinc/30/39/76/417303976.db2.gz CYUDGCQUPFWCND-NSHDSACASA-N 1 2 307.350 0.959 10 0 DCAELO CCOC(=O)[C@@H]1C[N@@H+](Cc2nc(C3CC3)no2)CC12COC2 ZINC000451129586 417303983 /nfs/dbraw/zinc/30/39/83/417303983.db2.gz CYUDGCQUPFWCND-NSHDSACASA-N 1 2 307.350 0.959 10 0 DCAELO C[C@](O)(C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O)C(F)(F)F ZINC000528781280 417392272 /nfs/dbraw/zinc/39/22/72/417392272.db2.gz LRHWLDLREQURLS-UTLUCORTSA-N 1 2 301.330 0.951 10 0 DCAELO C[C@](O)(C[N@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O)C(F)(F)F ZINC000528781280 417392278 /nfs/dbraw/zinc/39/22/78/417392278.db2.gz LRHWLDLREQURLS-UTLUCORTSA-N 1 2 301.330 0.951 10 0 DCAELO CNc1ccc(C(=O)N2C[C@H](OC)C[C@H]2c2[nH]cc[nH+]2)cn1 ZINC000644121307 417475325 /nfs/dbraw/zinc/47/53/25/417475325.db2.gz GDUUXNDSLSHJQN-NEPJUHHUSA-N 1 2 301.350 1.449 10 0 DCAELO CCN1CCC[N@H+](CCn2nc3ccccn3c2=O)CC1=O ZINC000575800852 417549940 /nfs/dbraw/zinc/54/99/40/417549940.db2.gz AYZYSXBKTWRXRU-UHFFFAOYSA-N 1 2 303.366 0.050 10 0 DCAELO CCN1CCC[N@@H+](CCn2nc3ccccn3c2=O)CC1=O ZINC000575800852 417549946 /nfs/dbraw/zinc/54/99/46/417549946.db2.gz AYZYSXBKTWRXRU-UHFFFAOYSA-N 1 2 303.366 0.050 10 0 DCAELO COCCS(=O)(=O)N1CC[NH2+]C[C@H]1c1ccccc1OC ZINC000261822137 292609125 /nfs/dbraw/zinc/60/91/25/292609125.db2.gz YADDOXZFVRLGCX-ZDUSSCGKSA-N 1 2 314.407 0.618 10 0 DCAELO C[C@H]1CCCN(S(=O)(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000174001119 299848000 /nfs/dbraw/zinc/84/80/00/299848000.db2.gz IQPMREJRBKJFDJ-KBPBESRZSA-N 1 2 317.455 0.370 10 0 DCAELO NS(=O)(=O)c1cc(C(=O)N2CC[NH+](C3CC3)CC2)cs1 ZINC000299524762 229181028 /nfs/dbraw/zinc/18/10/28/229181028.db2.gz XHXHMSJSPMYBQP-UHFFFAOYSA-N 1 2 315.420 0.316 10 0 DCAELO CO[C@@H]1CN(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC[C@H]1C ZINC000187623604 261123983 /nfs/dbraw/zinc/12/39/83/261123983.db2.gz SHHLEVNJZAUXBD-QLFBSQMISA-N 1 2 312.458 0.689 10 0 DCAELO COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CC[NH+](C2CC2)CC1 ZINC000234608319 261155152 /nfs/dbraw/zinc/15/51/52/261155152.db2.gz RWINOWUCXIYQMB-CHWSQXEVSA-N 1 2 316.423 0.438 10 0 DCAELO COc1ccc(NC(=O)C[N@@H+]2CCN3CCOC[C@@H]3C2)cc1 ZINC000363791413 262130115 /nfs/dbraw/zinc/13/01/15/262130115.db2.gz COZCTPDQBCHQHH-AWEZNQCLSA-N 1 2 305.378 0.650 10 0 DCAELO COc1ccc(NC(=O)C[N@H+]2CCN3CCOC[C@@H]3C2)cc1 ZINC000363791413 262130116 /nfs/dbraw/zinc/13/01/16/262130116.db2.gz COZCTPDQBCHQHH-AWEZNQCLSA-N 1 2 305.378 0.650 10 0 DCAELO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000363791080 262130501 /nfs/dbraw/zinc/13/05/01/262130501.db2.gz CIBPAFCFHKNACR-NEPJUHHUSA-N 1 2 312.414 0.016 10 0 DCAELO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000363791080 262130503 /nfs/dbraw/zinc/13/05/03/262130503.db2.gz CIBPAFCFHKNACR-NEPJUHHUSA-N 1 2 312.414 0.016 10 0 DCAELO CN(Cc1ccc(F)cc1)C(=O)C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000363796480 262131323 /nfs/dbraw/zinc/13/13/23/262131323.db2.gz RJLAUIYIJZQROJ-MRXNPFEDSA-N 1 2 321.396 0.801 10 0 DCAELO CN(Cc1ccc(F)cc1)C(=O)C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000363796480 262131325 /nfs/dbraw/zinc/13/13/25/262131325.db2.gz RJLAUIYIJZQROJ-MRXNPFEDSA-N 1 2 321.396 0.801 10 0 DCAELO O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CCN2CCOC[C@@H]2C1 ZINC000363861459 262134822 /nfs/dbraw/zinc/13/48/22/262134822.db2.gz WSWPBVXRYILKND-AWEZNQCLSA-N 1 2 313.361 0.424 10 0 DCAELO COC(=O)[C@H](C1CC1)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000359590848 271128040 /nfs/dbraw/zinc/12/80/40/271128040.db2.gz UGLKPMISRVDCPT-HIFRSBDPSA-N 1 2 323.437 0.567 10 0 DCAELO CC[C@H](C)NC(=O)C[NH+]1CCN([C@H](C(=O)OC)C2CC2)CC1 ZINC000359611384 271132243 /nfs/dbraw/zinc/13/22/43/271132243.db2.gz PFMGRJOSIJMRDT-WFASDCNBSA-N 1 2 311.426 0.470 10 0 DCAELO COC[C@@H](O)CN1CCNC(=O)[C@H]1c1c(C)[nH+]c2ccccn21 ZINC000361465433 271181498 /nfs/dbraw/zinc/18/14/98/271181498.db2.gz RCFVZJOKWINFEH-SWLSCSKDSA-N 1 2 318.377 0.123 10 0 DCAELO COC(=O)C(C)(C)N1CC[NH+]([C@@H](C)C(=O)NCC(C)C)CC1 ZINC000494445838 272222392 /nfs/dbraw/zinc/22/23/92/272222392.db2.gz KXWWXLHWBCMTKQ-ZDUSSCGKSA-N 1 2 313.442 0.716 10 0 DCAELO O=C(NC1CC1)c1noc([C@H]2CCCN2CCn2cc[nH+]c2)n1 ZINC000548025219 288103143 /nfs/dbraw/zinc/10/31/43/288103143.db2.gz ZFBJAKVTGYUTJX-GFCCVEGCSA-N 1 2 316.365 0.995 10 0 DCAELO CC[C@H]1CN(C(=O)c2ncc(OC)cn2)C[C@@H]1[NH+]1CCOCC1 ZINC000556393094 288376038 /nfs/dbraw/zinc/37/60/38/288376038.db2.gz CDGUFNVBGPDBEW-JSGCOSHPSA-N 1 2 320.393 0.668 10 0 DCAELO C[C@@]1(CNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CCCO1 ZINC000562863120 288604841 /nfs/dbraw/zinc/60/48/41/288604841.db2.gz WKGZYXKJJXGHSW-HNNXBMFYSA-N 1 2 302.334 0.958 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)NCCC(=O)N2CCCCC2)C1 ZINC000170921755 290108883 /nfs/dbraw/zinc/10/88/83/290108883.db2.gz GMYLUZYZOMDUMR-CYBMUJFWSA-N 1 2 312.414 0.019 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)NCCC(=O)N2CCCCC2)C1 ZINC000170921755 290108884 /nfs/dbraw/zinc/10/88/84/290108884.db2.gz GMYLUZYZOMDUMR-CYBMUJFWSA-N 1 2 312.414 0.019 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc4n(n3)CCCO4)C[C@@H]21 ZINC000328871417 290113254 /nfs/dbraw/zinc/11/32/54/290113254.db2.gz IJGWUARMUKIVII-STQMWFEESA-N 1 2 306.366 0.211 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)c3cc4n(n3)CCCO4)C[C@@H]21 ZINC000328871417 290113255 /nfs/dbraw/zinc/11/32/55/290113255.db2.gz IJGWUARMUKIVII-STQMWFEESA-N 1 2 306.366 0.211 10 0 DCAELO C[C@H]1CCNC(=O)[C@H]1NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000193753955 299996612 /nfs/dbraw/zinc/99/66/12/299996612.db2.gz KUHCECRCCLPRQY-JQWIXIFHSA-N 1 2 305.382 0.471 10 0 DCAELO C=Cn1cc(C[NH+]2CCN(c3nccn(C)c3=O)CC2)cn1 ZINC000582825221 337204842 /nfs/dbraw/zinc/20/48/42/337204842.db2.gz APYKZIIGXFOJBB-UHFFFAOYSA-N 1 2 300.366 0.400 10 0 DCAELO CC(=O)c1ccc(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000128108758 518319091 /nfs/dbraw/zinc/31/90/91/518319091.db2.gz YOPNMAKICDVBPM-OAHLLOKOSA-N 1 2 306.362 0.312 10 0 DCAELO CN(C(=O)C[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1)c1ccccc1 ZINC000116887960 523822720 /nfs/dbraw/zinc/82/27/20/523822720.db2.gz ZKOHEOSVIUMCLL-GFCCVEGCSA-N 1 2 311.407 0.273 10 0 DCAELO CN(C(=O)C[N@H+]1CC[C@@H](NS(C)(=O)=O)C1)c1ccccc1 ZINC000116887960 523822725 /nfs/dbraw/zinc/82/27/25/523822725.db2.gz ZKOHEOSVIUMCLL-GFCCVEGCSA-N 1 2 311.407 0.273 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2cccnc2OCC(F)F)C1 ZINC000124854517 523939037 /nfs/dbraw/zinc/93/90/37/523939037.db2.gz FAAFRAANLWXKRP-JTQLQIEISA-N 1 2 315.320 0.786 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)c2cccnc2OCC(F)F)C1 ZINC000124854517 523939041 /nfs/dbraw/zinc/93/90/41/523939041.db2.gz FAAFRAANLWXKRP-JTQLQIEISA-N 1 2 315.320 0.786 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)N(C)CCCn2cc[nH+]c2)[C@@H](C)CO1 ZINC000246729970 525043378 /nfs/dbraw/zinc/04/33/78/525043378.db2.gz GDDXMXIRVOLPJB-QWHCGFSZSA-N 1 2 316.427 0.559 10 0 DCAELO Cn1c2cccc(C(=O)NC[C@@H]3C[N@H+](C)CCO3)c2oc1=O ZINC000161679051 527106493 /nfs/dbraw/zinc/10/64/93/527106493.db2.gz ZGFUDKLIZIMHPS-SNVBAGLBSA-N 1 2 305.334 0.192 10 0 DCAELO Cn1c2cccc(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)c2oc1=O ZINC000161679051 527106498 /nfs/dbraw/zinc/10/64/98/527106498.db2.gz ZGFUDKLIZIMHPS-SNVBAGLBSA-N 1 2 305.334 0.192 10 0 DCAELO O=C(Cc1cccc(Cl)c1)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000128060325 527260287 /nfs/dbraw/zinc/26/02/87/527260287.db2.gz TXVASHRBUBJASJ-CQSZACIVSA-N 1 2 312.797 0.692 10 0 DCAELO Cn1nccc1C1CCN(C(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000159152811 527597943 /nfs/dbraw/zinc/59/79/43/527597943.db2.gz NKKOKMRHKAVMNH-AWEZNQCLSA-N 1 2 321.425 0.640 10 0 DCAELO Cn1nccc1C1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000159152811 527597949 /nfs/dbraw/zinc/59/79/49/527597949.db2.gz NKKOKMRHKAVMNH-AWEZNQCLSA-N 1 2 321.425 0.640 10 0 DCAELO CCOCC[N@@H+]1CCN(C(=O)CCc2nc[nH]n2)C[C@@H]1CC ZINC000177216701 528736370 /nfs/dbraw/zinc/73/63/70/528736370.db2.gz HSUOKCQFYMOTBP-ZDUSSCGKSA-N 1 2 309.414 0.697 10 0 DCAELO CCOCC[N@H+]1CCN(C(=O)CCc2nc[nH]n2)C[C@@H]1CC ZINC000177216701 528736373 /nfs/dbraw/zinc/73/63/73/528736373.db2.gz HSUOKCQFYMOTBP-ZDUSSCGKSA-N 1 2 309.414 0.697 10 0 DCAELO COc1nccc(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)n1 ZINC000285227237 537146861 /nfs/dbraw/zinc/14/68/61/537146861.db2.gz PTHCBWMZZWHTEW-GHMZBOCLSA-N 1 2 307.354 0.422 10 0 DCAELO COc1nccc(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)n1 ZINC000285227237 537146863 /nfs/dbraw/zinc/14/68/63/537146863.db2.gz PTHCBWMZZWHTEW-GHMZBOCLSA-N 1 2 307.354 0.422 10 0 DCAELO CCOc1cc(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)ccc1C ZINC000132326208 545793744 /nfs/dbraw/zinc/79/37/44/545793744.db2.gz POYWLJRCSJRRAF-OAHLLOKOSA-N 1 2 322.405 0.817 10 0 DCAELO COCCC1(C(=O)NC[C@H](O)C[NH+]2CCOCC2)CCC1 ZINC000132900959 545795327 /nfs/dbraw/zinc/79/53/27/545795327.db2.gz OMSVIIOSXAUPHT-ZDUSSCGKSA-N 1 2 300.399 0.003 10 0 DCAELO C[C@@H]1OCC[C@H]1NC(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000333137267 546072642 /nfs/dbraw/zinc/07/26/42/546072642.db2.gz JPKXHWBQHFXNEM-AEGPPILISA-N 1 2 311.426 0.916 10 0 DCAELO C[C@@H]1OCC[C@H]1NC(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000333137267 546072646 /nfs/dbraw/zinc/07/26/46/546072646.db2.gz JPKXHWBQHFXNEM-AEGPPILISA-N 1 2 311.426 0.916 10 0 DCAELO C[NH+](C)Cc1csc(CNS(=O)(=O)c2c[nH]cn2)n1 ZINC000722396676 661113301 /nfs/dbraw/zinc/11/33/01/661113301.db2.gz QSANTQLGGPKQAR-UHFFFAOYSA-N 1 2 301.397 0.406 10 0 DCAELO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1nc(CC(N)=O)cs1)C2 ZINC000220612116 658544865 /nfs/dbraw/zinc/54/48/65/658544865.db2.gz SBQYWJNTNNQLMU-QMMMGPOBSA-N 1 2 319.390 0.946 10 0 DCAELO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1nc(CC(N)=O)cs1)CC2 ZINC000220612116 658544874 /nfs/dbraw/zinc/54/48/74/658544874.db2.gz SBQYWJNTNNQLMU-QMMMGPOBSA-N 1 2 319.390 0.946 10 0 DCAELO CCCc1noc(C[N@@H+]2CCC[C@](O)(Cc3nncn3C)C2)n1 ZINC000888076882 658718534 /nfs/dbraw/zinc/71/85/34/658718534.db2.gz RTKJFDWFLOJZHD-HNNXBMFYSA-N 1 2 320.397 0.720 10 0 DCAELO CCCc1noc(C[N@H+]2CCC[C@](O)(Cc3nncn3C)C2)n1 ZINC000888076882 658718535 /nfs/dbraw/zinc/71/85/35/658718535.db2.gz RTKJFDWFLOJZHD-HNNXBMFYSA-N 1 2 320.397 0.720 10 0 DCAELO CCn1cncc1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261798266 661698947 /nfs/dbraw/zinc/69/89/47/661698947.db2.gz VQQKTYHBSRPYDS-CYBMUJFWSA-N 1 2 321.406 0.633 10 0 DCAELO CC(=O)N1CSC[C@H]1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000345452018 663087417 /nfs/dbraw/zinc/08/74/17/663087417.db2.gz RMPXUQIFCOLJIY-KGLIPLIRSA-N 1 2 321.402 0.983 10 0 DCAELO CCS(=O)(=O)CC[NH2+][C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000229553195 664605415 /nfs/dbraw/zinc/60/54/15/664605415.db2.gz OOHZRDBFEGSLKN-GFCCVEGCSA-N 1 2 317.432 0.929 10 0 DCAELO COC(=O)c1cn(C[NH+]2CCC(c3ccnn3C)CC2)nn1 ZINC000152200025 664740153 /nfs/dbraw/zinc/74/01/53/664740153.db2.gz WUBLTZDUHISBTL-UHFFFAOYSA-N 1 2 304.354 0.635 10 0 DCAELO CCc1nnc(C[NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)s1 ZINC000701637521 666861352 /nfs/dbraw/zinc/86/13/52/666861352.db2.gz NNLMSKXUUIUALZ-SECBINFHSA-N 1 2 304.441 0.614 10 0 DCAELO Cc1nn(C)cc1[C@H]1OCC[C@@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC000886031232 667726010 /nfs/dbraw/zinc/72/60/10/667726010.db2.gz QXZLYHOKRQQQAN-WCQYABFASA-N 1 2 306.370 0.797 10 0 DCAELO C[C@H](c1ccc(F)nc1)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000930330548 668996988 /nfs/dbraw/zinc/99/69/88/668996988.db2.gz ZUMCUFFSEWOMBI-DGCLKSJQSA-N 1 2 310.373 0.400 10 0 DCAELO C[C@H](c1ccc(F)nc1)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000930330548 668996990 /nfs/dbraw/zinc/99/69/90/668996990.db2.gz ZUMCUFFSEWOMBI-DGCLKSJQSA-N 1 2 310.373 0.400 10 0 DCAELO COCCOC[C@@H](O)C[N@@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC000712804789 670150792 /nfs/dbraw/zinc/15/07/92/670150792.db2.gz ZAAQSZGQWBHUKO-WDEREUQCSA-N 1 2 301.305 0.664 10 0 DCAELO COCCOC[C@@H](O)C[N@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC000712804789 670150793 /nfs/dbraw/zinc/15/07/93/670150793.db2.gz ZAAQSZGQWBHUKO-WDEREUQCSA-N 1 2 301.305 0.664 10 0 DCAELO COCC[N@@H+]1CCN(CN2c3ccccc3C(=O)C2=O)C[C@@H]1C ZINC000117323199 671192852 /nfs/dbraw/zinc/19/28/52/671192852.db2.gz MKJLECJGVHSKLL-ZDUSSCGKSA-N 1 2 317.389 0.826 10 0 DCAELO COCC[N@H+]1CCN(CN2c3ccccc3C(=O)C2=O)C[C@@H]1C ZINC000117323199 671192854 /nfs/dbraw/zinc/19/28/54/671192854.db2.gz 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/nfs/dbraw/zinc/44/34/09/220443409.db2.gz IZYXHEPZZHZCRC-NEPJUHHUSA-N 1 2 309.366 0.977 10 0 DCAELO C[N@H+]1C[C@H]2[C@@H](C1)c1nc(N3CCCC3)ncc1CS2(=O)=O ZINC000248152287 257108480 /nfs/dbraw/zinc/10/84/80/257108480.db2.gz UMGZSJBYEIKKHX-NEPJUHHUSA-N 1 2 308.407 0.403 10 0 DCAELO C[N@@H+]1C[C@H]2[C@@H](C1)c1nc(N3CCCC3)ncc1CS2(=O)=O ZINC000248152287 257108481 /nfs/dbraw/zinc/10/84/81/257108481.db2.gz UMGZSJBYEIKKHX-NEPJUHHUSA-N 1 2 308.407 0.403 10 0 DCAELO CN(C)C(=O)COC[C@@H]1CCOC12C[NH+](Cc1ccccn1)C2 ZINC000248009285 257112199 /nfs/dbraw/zinc/11/21/99/257112199.db2.gz OZKYSDHMZNRRRS-AWEZNQCLSA-N 1 2 319.405 0.777 10 0 DCAELO CCS(=O)(=O)N1C[C@H]2C[N@H+](Cc3ccoc3)CCO[C@H]2C1 ZINC000253494049 257105433 /nfs/dbraw/zinc/10/54/33/257105433.db2.gz WFVPBVACTAOMGK-KGLIPLIRSA-N 1 2 314.407 0.762 10 0 DCAELO CCS(=O)(=O)N1C[C@H]2C[N@@H+](Cc3ccoc3)CCO[C@H]2C1 ZINC000253494049 257105435 /nfs/dbraw/zinc/10/54/35/257105435.db2.gz WFVPBVACTAOMGK-KGLIPLIRSA-N 1 2 314.407 0.762 10 0 DCAELO 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/nfs/dbraw/zinc/09/89/69/131098969.db2.gz UGYAVWFTOAPLTN-CQSZACIVSA-N 1 2 324.425 0.504 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)Nc3ccc(C(N)=O)cc3)C[C@H]21 ZINC000284854340 131116514 /nfs/dbraw/zinc/11/65/14/131116514.db2.gz HUHCYMJFJYDNGT-KGLIPLIRSA-N 1 2 318.377 0.722 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3ccc(C(N)=O)cc3)C[C@H]21 ZINC000284854340 131116515 /nfs/dbraw/zinc/11/65/15/131116515.db2.gz HUHCYMJFJYDNGT-KGLIPLIRSA-N 1 2 318.377 0.722 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3cccc(C(N)=O)c3)C[C@H]21 ZINC000285381666 131162646 /nfs/dbraw/zinc/16/26/46/131162646.db2.gz XVGXREBZUBMODY-ZIAGYGMSSA-N 1 2 318.377 0.722 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3cccc(C(N)=O)c3)C[C@H]21 ZINC000285381666 131162647 /nfs/dbraw/zinc/16/26/47/131162647.db2.gz XVGXREBZUBMODY-ZIAGYGMSSA-N 1 2 318.377 0.722 10 0 DCAELO Cc1c(CNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)cnn1C ZINC000285422514 131166768 /nfs/dbraw/zinc/16/67/68/131166768.db2.gz NHRHAGKZRGYXND-UONOGXRCSA-N 1 2 307.398 0.343 10 0 DCAELO 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/nfs/dbraw/zinc/73/81/00/395738100.db2.gz KTVNCIBDUFPNHB-RISCZKNCSA-N 1 2 303.362 0.674 10 0 DCAELO Cc1ccc(F)c(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCOCC2)c1 ZINC000041601188 395738596 /nfs/dbraw/zinc/73/85/96/395738596.db2.gz GURBECQXXAQGDU-GFCCVEGCSA-N 1 2 323.368 0.910 10 0 DCAELO CC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc([S@](C)=O)cc2)CC1 ZINC000106398004 395782617 /nfs/dbraw/zinc/78/26/17/395782617.db2.gz ZKIBEQJUPIJFHZ-JLCFBVMHSA-N 1 2 324.446 0.953 10 0 DCAELO CCc1nnc(CN2CC[NH+](CC(=O)N[C@@H](C)CC)CC2)n1C ZINC000195058874 395815136 /nfs/dbraw/zinc/81/51/36/395815136.db2.gz YQBYCSWEIXAULW-ZDUSSCGKSA-N 1 2 322.457 0.410 10 0 DCAELO CCS(=O)(=O)NCC[N@@H+]1C[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000225515341 395861434 /nfs/dbraw/zinc/86/14/34/395861434.db2.gz GVKSXEMSIJZUPF-ZIAGYGMSSA-N 1 2 316.398 0.873 10 0 DCAELO CCS(=O)(=O)NCC[N@H+]1C[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000225515341 395861437 /nfs/dbraw/zinc/86/14/37/395861437.db2.gz GVKSXEMSIJZUPF-ZIAGYGMSSA-N 1 2 316.398 0.873 10 0 DCAELO 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ZTCBUDRSXCNTKU-LBPRGKRZSA-N 1 2 300.399 0.803 10 0 DCAELO OC[C@@H]1CCCN1c1cc(N2CCO[C@@]3(CCOC3)C2)[nH+]cn1 ZINC000274434498 395947730 /nfs/dbraw/zinc/94/77/30/395947730.db2.gz SNNVDJQLFVQELR-BBRMVZONSA-N 1 2 320.393 0.433 10 0 DCAELO OC[C@@H]1CCCN1c1cc(N2CCO[C@@]3(CCOC3)C2)nc[nH+]1 ZINC000274434498 395947732 /nfs/dbraw/zinc/94/77/32/395947732.db2.gz SNNVDJQLFVQELR-BBRMVZONSA-N 1 2 320.393 0.433 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@H](CCO)c2ccccc2)C1 ZINC000246903475 395961121 /nfs/dbraw/zinc/96/11/21/395961121.db2.gz HDNNRNMAKFMLIK-HOTGVXAUSA-N 1 2 321.421 0.782 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)NC[C@H](CCO)c2ccccc2)C1 ZINC000246903475 395961123 /nfs/dbraw/zinc/96/11/23/395961123.db2.gz HDNNRNMAKFMLIK-HOTGVXAUSA-N 1 2 321.421 0.782 10 0 DCAELO CCOCCCNC(=O)[C@H](C)[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000247402421 395973208 /nfs/dbraw/zinc/97/32/08/395973208.db2.gz YQJCJEIKKDTHNL-LSDHHAIUSA-N 1 2 324.425 0.515 10 0 DCAELO CCOCCCNC(=O)[C@H](C)[N@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000247402421 395973211 /nfs/dbraw/zinc/97/32/11/395973211.db2.gz YQJCJEIKKDTHNL-LSDHHAIUSA-N 1 2 324.425 0.515 10 0 DCAELO C[C@H]([NH2+]CCNS(C)(=O)=O)c1cn(-c2ccccc2)nn1 ZINC000150864205 395974390 /nfs/dbraw/zinc/97/43/90/395974390.db2.gz OANIVJQUOIBLRP-NSHDSACASA-N 1 2 309.395 0.467 10 0 DCAELO CCOCC[N@@H+]1CCN(S(=O)(=O)N2CCC[C@@H]2C)C[C@H]1C ZINC000248675739 395994017 /nfs/dbraw/zinc/99/40/17/395994017.db2.gz CVNSPMRGZZRTKT-UONOGXRCSA-N 1 2 319.471 0.758 10 0 DCAELO CCOCC[N@H+]1CCN(S(=O)(=O)N2CCC[C@@H]2C)C[C@H]1C ZINC000248675739 395994019 /nfs/dbraw/zinc/99/40/19/395994019.db2.gz CVNSPMRGZZRTKT-UONOGXRCSA-N 1 2 319.471 0.758 10 0 DCAELO Cc1cccc(O[C@@H](C)C(=O)NC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000154136182 396032307 /nfs/dbraw/zinc/03/23/07/396032307.db2.gz FKSDIBUTTOSSHB-LSDHHAIUSA-N 1 2 322.405 0.572 10 0 DCAELO C[S@@](=O)CCC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000155835142 396058164 /nfs/dbraw/zinc/05/81/64/396058164.db2.gz NVQDYMCAEAVPKG-XCLFUZPHSA-N 1 2 302.440 0.326 10 0 DCAELO Cn1nnc2cc(C(=O)N3CC[C@H]([NH+]4CCOCC4)C3)ccc21 ZINC000172743188 396132877 /nfs/dbraw/zinc/13/28/77/396132877.db2.gz GYRPBBHOBXPXJX-ZDUSSCGKSA-N 1 2 315.377 0.515 10 0 DCAELO C[C@H](c1ccccn1)[N@H+](C)CCNS(=O)(=O)c1cnn(C)c1 ZINC000162425497 396081352 /nfs/dbraw/zinc/08/13/52/396081352.db2.gz KCXLRZYAEVUZEB-GFCCVEGCSA-N 1 2 323.422 0.786 10 0 DCAELO C[C@H](c1ccccn1)[N@@H+](C)CCNS(=O)(=O)c1cnn(C)c1 ZINC000162425497 396081354 /nfs/dbraw/zinc/08/13/54/396081354.db2.gz KCXLRZYAEVUZEB-GFCCVEGCSA-N 1 2 323.422 0.786 10 0 DCAELO CSc1ccccc1C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000176439414 396155801 /nfs/dbraw/zinc/15/58/01/396155801.db2.gz HQJCUHBGWVBOHT-GFCCVEGCSA-N 1 2 310.419 0.831 10 0 DCAELO O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263285499 396210911 /nfs/dbraw/zinc/21/09/11/396210911.db2.gz UZCXCUPYGSAVMU-RNFRBKRXSA-N 1 2 315.242 0.263 10 0 DCAELO CC(C)c1nc2n(n1)C[C@H](NC(=O)[C@H]1CC(F)(F)C[NH2+]1)CC2 ZINC000263294189 396212155 /nfs/dbraw/zinc/21/21/55/396212155.db2.gz WCHGNITYHVEWRZ-NXEZZACHSA-N 1 2 313.352 0.830 10 0 DCAELO CCc1n[nH]c(=O)c(CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)c1CC ZINC000263164801 396204218 /nfs/dbraw/zinc/20/42/18/396204218.db2.gz FCOOCTRYALWUFC-LLVKDONJSA-N 1 2 314.336 0.508 10 0 DCAELO COc1ccc(NC(=O)C[N@@H+]2C[C@H](O)C[C@@H]2CO)cc1Cl ZINC000179181083 396223209 /nfs/dbraw/zinc/22/32/09/396223209.db2.gz PXSYIHUYUUPOOZ-GHMZBOCLSA-N 1 2 314.769 0.715 10 0 DCAELO COc1ccc(NC(=O)C[N@H+]2C[C@H](O)C[C@@H]2CO)cc1Cl ZINC000179181083 396223213 /nfs/dbraw/zinc/22/32/13/396223213.db2.gz PXSYIHUYUUPOOZ-GHMZBOCLSA-N 1 2 314.769 0.715 10 0 DCAELO COCCCCS(=O)(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000184943727 396311519 /nfs/dbraw/zinc/31/15/19/396311519.db2.gz ZYQAOXFFHNRABN-CYBMUJFWSA-N 1 2 306.428 0.149 10 0 DCAELO COCCN1CC[NH+](Cc2cc(-c3cnn(C)c3)no2)CC1 ZINC000184980031 396312611 /nfs/dbraw/zinc/31/26/11/396312611.db2.gz XBNUIDCPHFAMMQ-UHFFFAOYSA-N 1 2 305.382 0.839 10 0 DCAELO COCC(=O)NC1C[NH+](C[C@H](O)COc2ccc(C)cc2C)C1 ZINC000185091291 396317698 /nfs/dbraw/zinc/31/76/98/396317698.db2.gz VAKIYBDRBRVCKZ-HNNXBMFYSA-N 1 2 322.405 0.490 10 0 DCAELO COCC(=O)NC1C[NH+](C[C@H](O)COc2cc(C)cc(C)c2)C1 ZINC000185091959 396317971 /nfs/dbraw/zinc/31/79/71/396317971.db2.gz LBFZAZIEFQDAAZ-HNNXBMFYSA-N 1 2 322.405 0.490 10 0 DCAELO Cn1cc(N2CC[C@H]([N@@H+]3CCO[C@]4(CCOC4)C3)C2=O)cn1 ZINC000185137381 396318523 /nfs/dbraw/zinc/31/85/23/396318523.db2.gz FGCFMWQPOJWDSO-DZGCQCFKSA-N 1 2 306.366 0.017 10 0 DCAELO Cn1cc(N2CC[C@H]([N@H+]3CCO[C@]4(CCOC4)C3)C2=O)cn1 ZINC000185137381 396318526 /nfs/dbraw/zinc/31/85/26/396318526.db2.gz FGCFMWQPOJWDSO-DZGCQCFKSA-N 1 2 306.366 0.017 10 0 DCAELO O=c1c2ccccc2ncn1CC[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185154564 396319579 /nfs/dbraw/zinc/31/95/79/396319579.db2.gz NLTDFHHTYNBIGE-QGZVFWFLSA-N 1 2 315.373 0.888 10 0 DCAELO O=c1c2ccccc2ncn1CC[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185154564 396319582 /nfs/dbraw/zinc/31/95/82/396319582.db2.gz NLTDFHHTYNBIGE-QGZVFWFLSA-N 1 2 315.373 0.888 10 0 DCAELO OC[C@H]1C[C@H](O)C[N@@H+]1Cc1nc(COc2ccc(F)cc2)no1 ZINC000185147493 396319910 /nfs/dbraw/zinc/31/99/10/396319910.db2.gz OPIYWITVKVBBRX-NEPJUHHUSA-N 1 2 323.324 0.715 10 0 DCAELO OC[C@H]1C[C@H](O)C[N@H+]1Cc1nc(COc2ccc(F)cc2)no1 ZINC000185147493 396319912 /nfs/dbraw/zinc/31/99/12/396319912.db2.gz OPIYWITVKVBBRX-NEPJUHHUSA-N 1 2 323.324 0.715 10 0 DCAELO COC[C@@H]([NH2+][C@@H](C)C(=O)N(C)CC(=O)NC1CC1)c1ccco1 ZINC000184546799 396298940 /nfs/dbraw/zinc/29/89/40/396298940.db2.gz OIVZFVCNXXKQOZ-WCQYABFASA-N 1 2 323.393 0.682 10 0 DCAELO Cc1ccc(S(=O)(=O)NC[C@H]2C[N@H+](C)CCO2)c(Cl)n1 ZINC000185476358 396328484 /nfs/dbraw/zinc/32/84/84/396328484.db2.gz HABDRJGKKYCHLG-JTQLQIEISA-N 1 2 319.814 0.652 10 0 DCAELO Cc1ccc(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCO2)c(Cl)n1 ZINC000185476358 396328487 /nfs/dbraw/zinc/32/84/87/396328487.db2.gz HABDRJGKKYCHLG-JTQLQIEISA-N 1 2 319.814 0.652 10 0 DCAELO C[C@@]1(C(N)=O)CCCC[N@@H+]1CC(=O)NCCOc1ccccc1 ZINC000185954628 396337576 /nfs/dbraw/zinc/33/75/76/396337576.db2.gz UMOKPVPPPQKXMI-KRWDZBQOSA-N 1 2 319.405 0.912 10 0 DCAELO C[C@@]1(C(N)=O)CCCC[N@H+]1CC(=O)NCCOc1ccccc1 ZINC000185954628 396337579 /nfs/dbraw/zinc/33/75/79/396337579.db2.gz UMOKPVPPPQKXMI-KRWDZBQOSA-N 1 2 319.405 0.912 10 0 DCAELO C[C@]1(C(N)=O)CCCC[N@@H+]1CC(=O)NC(=O)NC1CCCCC1 ZINC000185949639 396337583 /nfs/dbraw/zinc/33/75/83/396337583.db2.gz NOHFVFDMKWQBMP-MRXNPFEDSA-N 1 2 324.425 0.875 10 0 DCAELO C[C@]1(C(N)=O)CCCC[N@H+]1CC(=O)NC(=O)NC1CCCCC1 ZINC000185949639 396337585 /nfs/dbraw/zinc/33/75/85/396337585.db2.gz NOHFVFDMKWQBMP-MRXNPFEDSA-N 1 2 324.425 0.875 10 0 DCAELO CN1C[C@@H](NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CCC1=O ZINC000265730657 396340460 /nfs/dbraw/zinc/34/04/60/396340460.db2.gz BKTPBGWERXAERM-RYUDHWBXSA-N 1 2 305.382 0.920 10 0 DCAELO COc1ccc(C(=O)NC(=O)C[N@H+](C)CC2(CO)CC2)cc1 ZINC000186776111 396357503 /nfs/dbraw/zinc/35/75/03/396357503.db2.gz HLQIIMJIQKMAGC-UHFFFAOYSA-N 1 2 306.362 0.656 10 0 DCAELO COc1ccc(C(=O)NC(=O)C[N@@H+](C)CC2(CO)CC2)cc1 ZINC000186776111 396357505 /nfs/dbraw/zinc/35/75/05/396357505.db2.gz HLQIIMJIQKMAGC-UHFFFAOYSA-N 1 2 306.362 0.656 10 0 DCAELO Cc1noc(C)c1CCNC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000285607330 396351155 /nfs/dbraw/zinc/35/11/55/396351155.db2.gz XWMDHFGHJKXXKP-LSDHHAIUSA-N 1 2 322.409 0.948 10 0 DCAELO Cc1noc(C)c1CCNC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000285607330 396351158 /nfs/dbraw/zinc/35/11/58/396351158.db2.gz XWMDHFGHJKXXKP-LSDHHAIUSA-N 1 2 322.409 0.948 10 0 DCAELO C[C@H]([C@H](C)NC(=O)N1CCCNC(=O)[C@H]1C)[NH+]1CCOCC1 ZINC000191413872 396419100 /nfs/dbraw/zinc/41/91/00/396419100.db2.gz WZLHOAMKZVESEC-YNEHKIRRSA-N 1 2 312.414 0.016 10 0 DCAELO O=C(NCCCNc1cccc[nH+]1)N1CCN2CCOC[C@@H]2C1 ZINC000371877073 396479242 /nfs/dbraw/zinc/47/92/42/396479242.db2.gz RXPLDLQAFQAQCM-AWEZNQCLSA-N 1 2 319.409 0.610 10 0 DCAELO O=C(NCCC1CC(O)C1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000562419371 396663051 /nfs/dbraw/zinc/66/30/51/396663051.db2.gz NHQAEUJIPRZJMF-UHFFFAOYSA-N 1 2 302.334 0.550 10 0 DCAELO CC(=O)NCC[N@@H+](C[C@H](C)CO)[C@@H](C)C(=O)OC(C)(C)C ZINC000611576318 396888881 /nfs/dbraw/zinc/88/88/81/396888881.db2.gz PEACPYSXGGBBHV-RYUDHWBXSA-N 1 2 302.415 0.783 10 0 DCAELO CC(=O)NCC[N@H+](C[C@H](C)CO)[C@@H](C)C(=O)OC(C)(C)C ZINC000611576318 396888884 /nfs/dbraw/zinc/88/88/84/396888884.db2.gz PEACPYSXGGBBHV-RYUDHWBXSA-N 1 2 302.415 0.783 10 0 DCAELO COCCC1(CNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)CC1 ZINC000332760805 396891297 /nfs/dbraw/zinc/89/12/97/396891297.db2.gz RFGTVTAPBUKRST-ZIAGYGMSSA-N 1 2 311.426 0.918 10 0 DCAELO COCCC1(CNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)CC1 ZINC000332760805 396891301 /nfs/dbraw/zinc/89/13/01/396891301.db2.gz RFGTVTAPBUKRST-ZIAGYGMSSA-N 1 2 311.426 0.918 10 0 DCAELO COC(=O)[C@@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)C1CC1 ZINC000611614005 396894232 /nfs/dbraw/zinc/89/42/32/396894232.db2.gz AAFNRHBDRCDBHE-WFASDCNBSA-N 1 2 317.389 0.905 10 0 DCAELO CNC(=O)C1CN(C(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)C1 ZINC000376630301 396954106 /nfs/dbraw/zinc/95/41/06/396954106.db2.gz ZOAPHBFPHJZMNG-JTQLQIEISA-N 1 2 304.394 0.842 10 0 DCAELO CNC(=O)C1CN(C(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)C1 ZINC000376630301 396954115 /nfs/dbraw/zinc/95/41/15/396954115.db2.gz ZOAPHBFPHJZMNG-JTQLQIEISA-N 1 2 304.394 0.842 10 0 DCAELO Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+]Cc1cn(C)nn1 ZINC000611984193 396971904 /nfs/dbraw/zinc/97/19/04/396971904.db2.gz UVLUHCVNXBTYRG-UHFFFAOYSA-N 1 2 320.397 0.870 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3ccc(NC(N)=O)cc3)C[C@@H]21 ZINC000377361169 397071701 /nfs/dbraw/zinc/07/17/01/397071701.db2.gz WLHJTCBPOQNKHE-QWHCGFSZSA-N 1 2 304.350 0.332 10 0 DCAELO C[N@H+]1CCO[C@@H]2CN(C(=O)c3ccc(NC(N)=O)cc3)C[C@@H]21 ZINC000377361169 397071704 /nfs/dbraw/zinc/07/17/04/397071704.db2.gz WLHJTCBPOQNKHE-QWHCGFSZSA-N 1 2 304.350 0.332 10 0 DCAELO CC(=O)N1CCN(C(=O)[C@@H]2CCn3cc(C)[nH+]c3C2)[C@@H](C)C1 ZINC000626138516 397088278 /nfs/dbraw/zinc/08/82/78/397088278.db2.gz YXBRTHJHBHUKQU-GXTWGEPZSA-N 1 2 304.394 0.833 10 0 DCAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000377213869 397048264 /nfs/dbraw/zinc/04/82/64/397048264.db2.gz JPDNWFXANSGTTE-MGPQQGTHSA-N 1 2 309.410 0.224 10 0 DCAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000377213869 397048269 /nfs/dbraw/zinc/04/82/69/397048269.db2.gz JPDNWFXANSGTTE-MGPQQGTHSA-N 1 2 309.410 0.224 10 0 DCAELO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000408189819 397348985 /nfs/dbraw/zinc/34/89/85/397348985.db2.gz QJSRJCCTJHHFMK-KWQFWETISA-N 1 2 311.304 0.610 10 0 DCAELO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000408189819 397348988 /nfs/dbraw/zinc/34/89/88/397348988.db2.gz QJSRJCCTJHHFMK-KWQFWETISA-N 1 2 311.304 0.610 10 0 DCAELO CNC(=O)[C@@H]1CCC[N@@H+]1[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000408449797 397357439 /nfs/dbraw/zinc/35/74/39/397357439.db2.gz DRLMVUOBTJJHOT-UWVGGRQHSA-N 1 2 307.316 0.750 10 0 DCAELO CNC(=O)[C@@H]1CCC[N@H+]1[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000408449797 397357443 /nfs/dbraw/zinc/35/74/43/397357443.db2.gz DRLMVUOBTJJHOT-UWVGGRQHSA-N 1 2 307.316 0.750 10 0 DCAELO CC(C)N1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1=O ZINC000577793698 397362229 /nfs/dbraw/zinc/36/22/29/397362229.db2.gz RZGBUWLFBYSCCL-UHFFFAOYSA-N 1 2 305.382 0.370 10 0 DCAELO CC(=O)c1cccc(OC[C@@H](O)C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)c1 ZINC000593100561 397326249 /nfs/dbraw/zinc/32/62/49/397326249.db2.gz LCKGSTMBKZVVHE-KLOGBUTCSA-N 1 2 323.414 0.834 10 0 DCAELO CC(=O)c1cccc(OC[C@@H](O)C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)c1 ZINC000593100561 397326251 /nfs/dbraw/zinc/32/62/51/397326251.db2.gz LCKGSTMBKZVVHE-KLOGBUTCSA-N 1 2 323.414 0.834 10 0 DCAELO CN1CC(=O)N(CCCC(=O)Nc2ccc3[nH+]ccn3c2)C1=O ZINC000603809156 397621911 /nfs/dbraw/zinc/62/19/11/397621911.db2.gz QLVUOIQFGFBLEQ-UHFFFAOYSA-N 1 2 315.333 0.947 10 0 DCAELO C[C@H](NC(N)=O)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608205613 397720320 /nfs/dbraw/zinc/72/03/20/397720320.db2.gz GXNUZYIZPNNFBW-WCQYABFASA-N 1 2 315.377 0.877 10 0 DCAELO C[C@H](NC(N)=O)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608205611 397720588 /nfs/dbraw/zinc/72/05/88/397720588.db2.gz GXNUZYIZPNNFBW-AAEUAGOBSA-N 1 2 315.377 0.877 10 0 DCAELO O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000606936277 397691359 /nfs/dbraw/zinc/69/13/59/397691359.db2.gz IVCKCMGMQHZJIL-SDDRHHMPSA-N 1 2 313.316 0.806 10 0 DCAELO O[C@H](COC[C@@H]1CCCO1)C[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000606936277 397691362 /nfs/dbraw/zinc/69/13/62/397691362.db2.gz IVCKCMGMQHZJIL-SDDRHHMPSA-N 1 2 313.316 0.806 10 0 DCAELO CN(CCCNC(=O)C[N@@H+]1CCNC(=O)CC1)c1ccccc1 ZINC000054258568 158020405 /nfs/dbraw/zinc/02/04/05/158020405.db2.gz QZLJDUGSDFLASH-UHFFFAOYSA-N 1 2 318.421 0.451 10 0 DCAELO CN(CCCNC(=O)C[N@H+]1CCNC(=O)CC1)c1ccccc1 ZINC000054258568 158020408 /nfs/dbraw/zinc/02/04/08/158020408.db2.gz QZLJDUGSDFLASH-UHFFFAOYSA-N 1 2 318.421 0.451 10 0 DCAELO NS(=O)(=O)c1ccc(OCC[NH+]2CC(O)(C3CC3)C2)cc1 ZINC000089679179 158098386 /nfs/dbraw/zinc/09/83/86/158098386.db2.gz VCAHHWFFSVJZJC-UHFFFAOYSA-N 1 2 312.391 0.170 10 0 DCAELO CNC(=O)[C@@H]1CCC[N@H+](Cc2noc(C3CCOCC3)n2)C1 ZINC000111269317 158139642 /nfs/dbraw/zinc/13/96/42/158139642.db2.gz NFVWOFLKVDHLJI-GFCCVEGCSA-N 1 2 308.382 0.922 10 0 DCAELO CNC(=O)[C@@H]1CCC[N@@H+](Cc2noc(C3CCOCC3)n2)C1 ZINC000111269317 158139644 /nfs/dbraw/zinc/13/96/44/158139644.db2.gz NFVWOFLKVDHLJI-GFCCVEGCSA-N 1 2 308.382 0.922 10 0 DCAELO CN(C)c1[nH+]cccc1CNC(=O)N[C@H]1CCc2ncnn2C1 ZINC000112743034 158144277 /nfs/dbraw/zinc/14/42/77/158144277.db2.gz QOYSBHWOWLPJKK-LBPRGKRZSA-N 1 2 315.381 0.553 10 0 DCAELO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C2=NN(C)C(=O)CC2)C1 ZINC000119469863 158187238 /nfs/dbraw/zinc/18/72/38/158187238.db2.gz QMRUYYZEVKWCLL-GFCCVEGCSA-N 1 2 317.393 0.809 10 0 DCAELO CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000121914128 158216742 /nfs/dbraw/zinc/21/67/42/158216742.db2.gz JVFTVCKVKOZVEK-VXGBXAGGSA-N 1 2 323.397 0.371 10 0 DCAELO COCCS(=O)(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000122111603 158218466 /nfs/dbraw/zinc/21/84/66/158218466.db2.gz NVBWZQSLOVOTSM-LBPRGKRZSA-N 1 2 301.412 0.651 10 0 DCAELO C[C@@H]1C[N@H+](CC(=O)NC2CCCCCCC2)C[C@H](C(N)=O)O1 ZINC000122874408 158225327 /nfs/dbraw/zinc/22/53/27/158225327.db2.gz IQIZRWXZVHJNGG-TZMCWYRMSA-N 1 2 311.426 0.790 10 0 DCAELO C[C@@H]1C[N@@H+](CC(=O)NC2CCCCCCC2)C[C@H](C(N)=O)O1 ZINC000122874408 158225329 /nfs/dbraw/zinc/22/53/29/158225329.db2.gz IQIZRWXZVHJNGG-TZMCWYRMSA-N 1 2 311.426 0.790 10 0 DCAELO O=C(CN1CCCCC1=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000125937904 158260376 /nfs/dbraw/zinc/26/03/76/158260376.db2.gz PRDVQKQBCVXYAB-UHFFFAOYSA-N 1 2 313.361 0.896 10 0 DCAELO CN(C)c1ccnc(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000127574731 158274345 /nfs/dbraw/zinc/27/43/45/158274345.db2.gz XITVTBKTBUHYPR-CQSZACIVSA-N 1 2 304.394 0.741 10 0 DCAELO CN(C)c1ccnc(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000127574731 158274347 /nfs/dbraw/zinc/27/43/47/158274347.db2.gz XITVTBKTBUHYPR-CQSZACIVSA-N 1 2 304.394 0.741 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)CSCc2cscn2)C1 ZINC000128420476 158280860 /nfs/dbraw/zinc/28/08/60/158280860.db2.gz GBBNOQCTAGNEEA-NSHDSACASA-N 1 2 301.437 0.823 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)CSCc2cscn2)C1 ZINC000128420476 158280862 /nfs/dbraw/zinc/28/08/62/158280862.db2.gz GBBNOQCTAGNEEA-NSHDSACASA-N 1 2 301.437 0.823 10 0 DCAELO COc1cccc(CCC(=O)NC[C@H](O)C[NH+]2CCOCC2)c1 ZINC000129038928 158284914 /nfs/dbraw/zinc/28/49/14/158284914.db2.gz YOWWWBBAPLOEJN-HNNXBMFYSA-N 1 2 322.405 0.437 10 0 DCAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1ccnc2ccccc21 ZINC000129074439 158285125 /nfs/dbraw/zinc/28/51/25/158285125.db2.gz UEOHPBPFZFMOBS-CYBMUJFWSA-N 1 2 315.373 0.658 10 0 DCAELO CC(C)Cn1cc[nH+]c1CNC(=O)CCC(=O)N1CCOCC1 ZINC000131159001 158301181 /nfs/dbraw/zinc/30/11/81/158301181.db2.gz LMRAVPLIUQZMOW-UHFFFAOYSA-N 1 2 322.409 0.794 10 0 DCAELO CC(C)Cn1cc[nH+]c1CNC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000131352559 158302272 /nfs/dbraw/zinc/30/22/72/158302272.db2.gz FUKUNZUWYXMNMI-UHFFFAOYSA-N 1 2 321.381 0.486 10 0 DCAELO C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000131922053 158306565 /nfs/dbraw/zinc/30/65/65/158306565.db2.gz SZJYRHJAUSUSGC-MBNYWOFBSA-N 1 2 311.426 0.741 10 0 DCAELO C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000131922053 158306568 /nfs/dbraw/zinc/30/65/68/158306568.db2.gz SZJYRHJAUSUSGC-MBNYWOFBSA-N 1 2 311.426 0.741 10 0 DCAELO CCc1nc(CN2CC[NH+]([C@H]3CCCCNC3=O)CC2)no1 ZINC000131913758 158307157 /nfs/dbraw/zinc/30/71/57/158307157.db2.gz LPESWBZGNALOPX-LBPRGKRZSA-N 1 2 307.398 0.418 10 0 DCAELO CN(C)c1[nH+]cccc1CNC(=O)CNC(=O)c1cccnc1 ZINC000133934754 158322726 /nfs/dbraw/zinc/32/27/26/158322726.db2.gz HBEPOUZBWYPGLG-UHFFFAOYSA-N 1 2 313.361 0.589 10 0 DCAELO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+]([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000134365156 158327253 /nfs/dbraw/zinc/32/72/53/158327253.db2.gz HGIFLDCNWIPFEO-CHWSQXEVSA-N 1 2 315.439 0.152 10 0 DCAELO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+]([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000134365156 158327255 /nfs/dbraw/zinc/32/72/55/158327255.db2.gz HGIFLDCNWIPFEO-CHWSQXEVSA-N 1 2 315.439 0.152 10 0 DCAELO CC(C)CNC(=O)C[N@@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000135743826 158339629 /nfs/dbraw/zinc/33/96/29/158339629.db2.gz OBGVIHYNKOJLFN-CYBMUJFWSA-N 1 2 317.455 0.259 10 0 DCAELO CC(C)CNC(=O)C[N@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000135743826 158339632 /nfs/dbraw/zinc/33/96/32/158339632.db2.gz OBGVIHYNKOJLFN-CYBMUJFWSA-N 1 2 317.455 0.259 10 0 DCAELO CC(C)n1nnnc1CN1CC[NH+](Cc2ccncc2)CC1 ZINC000162338860 158360917 /nfs/dbraw/zinc/36/09/17/158360917.db2.gz ZEFGPFKHXKXQBR-UHFFFAOYSA-N 1 2 301.398 0.967 10 0 DCAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCc1nncn1C(C)C ZINC000170597853 158374930 /nfs/dbraw/zinc/37/49/30/158374930.db2.gz RXVXUJHQGMWNJR-CYBMUJFWSA-N 1 2 309.414 0.976 10 0 DCAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)NCc1nncn1C(C)C ZINC000170597853 158374931 /nfs/dbraw/zinc/37/49/31/158374931.db2.gz RXVXUJHQGMWNJR-CYBMUJFWSA-N 1 2 309.414 0.976 10 0 DCAELO C[C@H]1CN(C(=O)c2cc(F)cc3n[nH]nc32)CC[N@@H+]1CCO ZINC000328641078 159016566 /nfs/dbraw/zinc/01/65/66/159016566.db2.gz CZVJSKJOVHPNRQ-VIFPVBQESA-N 1 2 307.329 0.236 10 0 DCAELO C[C@H]1CN(C(=O)c2cc(F)cc3n[nH]nc32)CC[N@H+]1CCO ZINC000328641078 159016568 /nfs/dbraw/zinc/01/65/68/159016568.db2.gz CZVJSKJOVHPNRQ-VIFPVBQESA-N 1 2 307.329 0.236 10 0 DCAELO C[C@H]1CN(C(=O)c2cc(F)cc3nn[nH]c32)CC[N@@H+]1CCO ZINC000328641078 159016569 /nfs/dbraw/zinc/01/65/69/159016569.db2.gz CZVJSKJOVHPNRQ-VIFPVBQESA-N 1 2 307.329 0.236 10 0 DCAELO C[C@H]1CN(C(=O)c2cc(F)cc3nn[nH]c32)CC[N@H+]1CCO ZINC000328641078 159016571 /nfs/dbraw/zinc/01/65/71/159016571.db2.gz CZVJSKJOVHPNRQ-VIFPVBQESA-N 1 2 307.329 0.236 10 0 DCAELO Cc1cc(C)n(C[C@H]2C[N@@H+]([C@H]3CCN(C4CC4)C3=O)CCO2)n1 ZINC000328673297 159019576 /nfs/dbraw/zinc/01/95/76/159019576.db2.gz OZWGHDIQWQALNF-CVEARBPZSA-N 1 2 318.421 0.964 10 0 DCAELO Cc1cc(C)n(C[C@H]2C[N@H+]([C@H]3CCN(C4CC4)C3=O)CCO2)n1 ZINC000328673297 159019577 /nfs/dbraw/zinc/01/95/77/159019577.db2.gz OZWGHDIQWQALNF-CVEARBPZSA-N 1 2 318.421 0.964 10 0 DCAELO CCc1nnc(CN2CCN(Cc3[nH+]ccn3C)CC2)n1C ZINC000328678224 159020325 /nfs/dbraw/zinc/02/03/25/159020325.db2.gz SRIPMUHBDXMUQT-UHFFFAOYSA-N 1 2 303.414 0.429 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3csc4cncn43)C[C@@H]21 ZINC000328884747 159038202 /nfs/dbraw/zinc/03/82/02/159038202.db2.gz OAQOJQMIJBGAAW-JQWIXIFHSA-N 1 2 306.391 0.941 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)c3csc4cncn43)C[C@@H]21 ZINC000328884747 159038204 /nfs/dbraw/zinc/03/82/04/159038204.db2.gz OAQOJQMIJBGAAW-JQWIXIFHSA-N 1 2 306.391 0.941 10 0 DCAELO CCc1nnc([C@H](C)[N@@H+]2CCC[C@@](O)(Cn3ccnn3)C2)o1 ZINC000328985440 159050239 /nfs/dbraw/zinc/05/02/39/159050239.db2.gz ZRURFMPGGXGVSE-FZMZJTMJSA-N 1 2 306.370 0.812 10 0 DCAELO CCc1nnc([C@H](C)[N@H+]2CCC[C@@](O)(Cn3ccnn3)C2)o1 ZINC000328985440 159050240 /nfs/dbraw/zinc/05/02/40/159050240.db2.gz ZRURFMPGGXGVSE-FZMZJTMJSA-N 1 2 306.370 0.812 10 0 DCAELO O=C(C[N@@H+]1CCN2C(=O)CC[C@@H]2C1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000329047033 159054524 /nfs/dbraw/zinc/05/45/24/159054524.db2.gz QECFBJZWQKOPDK-RBSFLKMASA-N 1 2 321.421 0.463 10 0 DCAELO O=C(C[N@H+]1CCN2C(=O)CC[C@@H]2C1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000329047033 159054525 /nfs/dbraw/zinc/05/45/25/159054525.db2.gz QECFBJZWQKOPDK-RBSFLKMASA-N 1 2 321.421 0.463 10 0 DCAELO C[C@H]1C[C@H](C)CN(C(=O)C[N@@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)C1 ZINC000329194451 159072328 /nfs/dbraw/zinc/07/23/28/159072328.db2.gz SXOQANDNHPKUFM-XDQVBPFNSA-N 1 2 314.451 0.610 10 0 DCAELO C[C@H]1C[C@H](C)CN(C(=O)C[N@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)C1 ZINC000329194451 159072329 /nfs/dbraw/zinc/07/23/29/159072329.db2.gz SXOQANDNHPKUFM-XDQVBPFNSA-N 1 2 314.451 0.610 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnn4ncccc34)C[C@H]21 ZINC000329205902 159073680 /nfs/dbraw/zinc/07/36/80/159073680.db2.gz XGCIALWGHIECSY-ZIAGYGMSSA-N 1 2 301.350 0.274 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnn4ncccc34)C[C@H]21 ZINC000329205902 159073681 /nfs/dbraw/zinc/07/36/81/159073681.db2.gz XGCIALWGHIECSY-ZIAGYGMSSA-N 1 2 301.350 0.274 10 0 DCAELO Cn1cc(C[C@@H]2CCN(c3nc4c(cnn4C)c(N)[nH+]3)C2)cn1 ZINC000364972824 159277004 /nfs/dbraw/zinc/27/70/04/159277004.db2.gz OMNURFNYEVKCDU-JTQLQIEISA-N 1 2 312.381 0.748 10 0 DCAELO Cc1ccccc1CNC(=O)C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000368211249 159382050 /nfs/dbraw/zinc/38/20/50/159382050.db2.gz CRQQWBXOOPXPSS-MRXNPFEDSA-N 1 2 303.406 0.628 10 0 DCAELO Cc1ccccc1CNC(=O)C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000368211249 159382052 /nfs/dbraw/zinc/38/20/52/159382052.db2.gz CRQQWBXOOPXPSS-MRXNPFEDSA-N 1 2 303.406 0.628 10 0 DCAELO COC(=O)C1CCN(C(=O)[C@@H](C)[N@@H+]2CCC(=O)[C@@H](C)C2)CC1 ZINC000407986311 160003761 /nfs/dbraw/zinc/00/37/61/160003761.db2.gz SPJRPBLVEDEDDL-NWDGAFQWSA-N 1 2 310.394 0.697 10 0 DCAELO COC(=O)C1CCN(C(=O)[C@@H](C)[N@H+]2CCC(=O)[C@@H](C)C2)CC1 ZINC000407986311 160003763 /nfs/dbraw/zinc/00/37/63/160003763.db2.gz SPJRPBLVEDEDDL-NWDGAFQWSA-N 1 2 310.394 0.697 10 0 DCAELO Cc1occc1C(=O)NCC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000408022170 160013512 /nfs/dbraw/zinc/01/35/12/160013512.db2.gz KPJALNHZOVRLAF-KBPBESRZSA-N 1 2 321.377 0.249 10 0 DCAELO Cc1occc1C(=O)NCC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000408022170 160013514 /nfs/dbraw/zinc/01/35/14/160013514.db2.gz KPJALNHZOVRLAF-KBPBESRZSA-N 1 2 321.377 0.249 10 0 DCAELO CCc1nn(C)cc1NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000408097421 160035205 /nfs/dbraw/zinc/03/52/05/160035205.db2.gz NEJKERJMCHJDRU-LBPRGKRZSA-N 1 2 307.398 0.921 10 0 DCAELO COCC[N@@H+]1CCN(S(=O)(=O)N2CC[C@H](C)C2)C[C@H]1C ZINC000408134250 160044041 /nfs/dbraw/zinc/04/40/41/160044041.db2.gz RNVGGFRTBAJPGW-QWHCGFSZSA-N 1 2 305.444 0.226 10 0 DCAELO COCC[N@H+]1CCN(S(=O)(=O)N2CC[C@H](C)C2)C[C@H]1C ZINC000408134250 160044042 /nfs/dbraw/zinc/04/40/42/160044042.db2.gz RNVGGFRTBAJPGW-QWHCGFSZSA-N 1 2 305.444 0.226 10 0 DCAELO O=C(NC1CCS(=O)CC1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000408154672 160049311 /nfs/dbraw/zinc/04/93/11/160049311.db2.gz MISCGNNKUPZYCF-BJJGWYPJSA-N 1 2 314.451 0.657 10 0 DCAELO O=C(NC1CCS(=O)CC1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000408154672 160049312 /nfs/dbraw/zinc/04/93/12/160049312.db2.gz MISCGNNKUPZYCF-BJJGWYPJSA-N 1 2 314.451 0.657 10 0 DCAELO C[C@H](C(=O)N1CCC[C@H](Cn2cncn2)C1)[NH+]1CCN(C)CC1 ZINC000408201975 160059102 /nfs/dbraw/zinc/05/91/02/160059102.db2.gz HCTGMESNFYHERY-CABCVRRESA-N 1 2 320.441 0.153 10 0 DCAELO COC1CCN(C(=O)N2CCN(Cc3[nH+]ccn3C)CC2)CC1 ZINC000408283812 160076208 /nfs/dbraw/zinc/07/62/08/160076208.db2.gz PKFJBQYEYCNYHP-UHFFFAOYSA-N 1 2 321.425 0.769 10 0 DCAELO C[C@H]1OCC[C@]12CN(C(=O)C1([NH+]3CCOCC3)CCC1)CCO2 ZINC000408298770 160078850 /nfs/dbraw/zinc/07/88/50/160078850.db2.gz QKBVPKWFVXUNHD-PBHICJAKSA-N 1 2 324.421 0.648 10 0 DCAELO Cn1cc[nH+]c1[C@@H]1CN(C(=O)NC[C@@]2(C)CCOC2)CCN1C ZINC000408302817 160080253 /nfs/dbraw/zinc/08/02/53/160080253.db2.gz JHIZONUTQDHIRL-XJKSGUPXSA-N 1 2 321.425 0.845 10 0 DCAELO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)N2CCCC[C@H]2C)CC1 ZINC000408431752 160106873 /nfs/dbraw/zinc/10/68/73/160106873.db2.gz BKHBRWBKLVCKQO-ZIAGYGMSSA-N 1 2 319.471 0.494 10 0 DCAELO Cn1cc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c(-c2ccoc2)n1 ZINC000408447514 160110197 /nfs/dbraw/zinc/11/01/97/160110197.db2.gz FTIDSASDEIQXHF-KGLIPLIRSA-N 1 2 316.361 0.835 10 0 DCAELO Cn1cc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c(-c2ccoc2)n1 ZINC000408447514 160110200 /nfs/dbraw/zinc/11/02/00/160110200.db2.gz FTIDSASDEIQXHF-KGLIPLIRSA-N 1 2 316.361 0.835 10 0 DCAELO CC[C@H]1CN(C(=O)c2cccc3nn[nH]c32)CC[N@@H+]1C[C@H](C)O ZINC000249454922 287111239 /nfs/dbraw/zinc/11/12/39/287111239.db2.gz DFXGGWHCFUKJOR-RYUDHWBXSA-N 1 2 317.393 0.875 10 0 DCAELO CC[C@H]1CN(C(=O)c2cccc3nn[nH]c32)CC[N@H+]1C[C@H](C)O ZINC000249454922 287111241 /nfs/dbraw/zinc/11/12/41/287111241.db2.gz DFXGGWHCFUKJOR-RYUDHWBXSA-N 1 2 317.393 0.875 10 0 DCAELO C[N@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H]1C[C@H]1c1ccccc1 ZINC000268973519 415247883 /nfs/dbraw/zinc/24/78/83/415247883.db2.gz OENSDNUCOUYWNS-ILXRZTDVSA-N 1 2 322.430 0.778 10 0 DCAELO C[N@@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H]1C[C@H]1c1ccccc1 ZINC000268973519 415247889 /nfs/dbraw/zinc/24/78/89/415247889.db2.gz OENSDNUCOUYWNS-ILXRZTDVSA-N 1 2 322.430 0.778 10 0 DCAELO Cc1nnc2ccc(N(CC3CC3)C[C@H]3C[N@H+](C)CCO3)nn12 ZINC000278857143 415500293 /nfs/dbraw/zinc/50/02/93/415500293.db2.gz XZDDBDNQIOFFCZ-CQSZACIVSA-N 1 2 316.409 0.980 10 0 DCAELO Cc1nnc2ccc(N(CC3CC3)C[C@H]3C[N@@H+](C)CCO3)nn12 ZINC000278857143 415500303 /nfs/dbraw/zinc/50/03/03/415500303.db2.gz XZDDBDNQIOFFCZ-CQSZACIVSA-N 1 2 316.409 0.980 10 0 DCAELO CC(=O)N[C@H](CC1CCC1)C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000332755917 415465287 /nfs/dbraw/zinc/46/52/87/415465287.db2.gz KUIJYSCUTGIQNB-BZUAXINKSA-N 1 2 323.437 0.613 10 0 DCAELO CC(=O)N[C@H](CC1CCC1)C(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000332755917 415465291 /nfs/dbraw/zinc/46/52/91/415465291.db2.gz KUIJYSCUTGIQNB-BZUAXINKSA-N 1 2 323.437 0.613 10 0 DCAELO Cn1ncc2c1nc(NC1CCN(C(=O)C3CC3)CC1)[nH+]c2N ZINC000333052005 415540832 /nfs/dbraw/zinc/54/08/32/415540832.db2.gz LKHCCGHUKRDMQH-UHFFFAOYSA-N 1 2 315.381 0.758 10 0 DCAELO CC[N@H+](CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)[C@H]1CCNC1=O ZINC000333359976 415621259 /nfs/dbraw/zinc/62/12/59/415621259.db2.gz XFTCZAHZXBQHFP-MELADBBJSA-N 1 2 309.410 0.367 10 0 DCAELO CC[N@@H+](CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)[C@H]1CCNC1=O ZINC000333359976 415621268 /nfs/dbraw/zinc/62/12/68/415621268.db2.gz XFTCZAHZXBQHFP-MELADBBJSA-N 1 2 309.410 0.367 10 0 DCAELO CCc1ncc(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)cn1 ZINC000285823232 415621619 /nfs/dbraw/zinc/62/16/19/415621619.db2.gz FKJLIBOJYXGARF-CHWSQXEVSA-N 1 2 305.382 0.976 10 0 DCAELO CCc1ncc(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)cn1 ZINC000285823232 415621625 /nfs/dbraw/zinc/62/16/25/415621625.db2.gz FKJLIBOJYXGARF-CHWSQXEVSA-N 1 2 305.382 0.976 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(S(=O)(=O)CCOCC3CC3)C[C@H]21 ZINC000333470238 415659409 /nfs/dbraw/zinc/65/94/09/415659409.db2.gz NLAPPWYTPITIOQ-KGLIPLIRSA-N 1 2 318.439 0.148 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(S(=O)(=O)CCOCC3CC3)C[C@H]21 ZINC000333470238 415659421 /nfs/dbraw/zinc/65/94/21/415659421.db2.gz NLAPPWYTPITIOQ-KGLIPLIRSA-N 1 2 318.439 0.148 10 0 DCAELO Cc1ncc(C[NH+]2CCN(CCNS(C)(=O)=O)CC2)s1 ZINC000107303957 415664958 /nfs/dbraw/zinc/66/49/58/415664958.db2.gz QTFHWIJNFKRQTO-UHFFFAOYSA-N 1 2 318.468 0.118 10 0 DCAELO Cc1nc(NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)n[nH]1 ZINC000112288846 415711175 /nfs/dbraw/zinc/71/11/75/415711175.db2.gz XFFOEQDVZXDHRO-UHFFFAOYSA-N 1 2 301.354 0.512 10 0 DCAELO Cc1nnc(NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)[nH]1 ZINC000112288846 415711185 /nfs/dbraw/zinc/71/11/85/415711185.db2.gz XFFOEQDVZXDHRO-UHFFFAOYSA-N 1 2 301.354 0.512 10 0 DCAELO C[C@@H]1C[N@H+](CC(=O)N(C)[C@@H]2CCCC[C@@H]2C)C[C@H](C(N)=O)O1 ZINC000122951870 415837020 /nfs/dbraw/zinc/83/70/20/415837020.db2.gz NMLDNOZIRSHLRX-REWJHTLYSA-N 1 2 311.426 0.598 10 0 DCAELO C[C@@H]1C[N@@H+](CC(=O)N(C)[C@@H]2CCCC[C@@H]2C)C[C@H](C(N)=O)O1 ZINC000122951870 415837026 /nfs/dbraw/zinc/83/70/26/415837026.db2.gz NMLDNOZIRSHLRX-REWJHTLYSA-N 1 2 311.426 0.598 10 0 DCAELO CC(C)[C@@H]1OCC[C@H]1CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000334021032 415785346 /nfs/dbraw/zinc/78/53/46/415785346.db2.gz DAZZACBOWXMQHN-XGUBFFRZSA-N 1 2 311.426 0.772 10 0 DCAELO CC(C)[C@@H]1OCC[C@H]1CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000334021032 415785354 /nfs/dbraw/zinc/78/53/54/415785354.db2.gz DAZZACBOWXMQHN-XGUBFFRZSA-N 1 2 311.426 0.772 10 0 DCAELO Cc1nc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000133722064 415948858 /nfs/dbraw/zinc/94/88/58/415948858.db2.gz MGULPCYVWBXMMY-AWEZNQCLSA-N 1 2 316.361 0.895 10 0 DCAELO Cc1nc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000133722064 415948863 /nfs/dbraw/zinc/94/88/63/415948863.db2.gz MGULPCYVWBXMMY-AWEZNQCLSA-N 1 2 316.361 0.895 10 0 DCAELO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CCNC(=O)CC1 ZINC000153192714 415976375 /nfs/dbraw/zinc/97/63/75/415976375.db2.gz NJWIUWNRDAMUKC-GFCCVEGCSA-N 1 2 303.366 0.192 10 0 DCAELO CCc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000155288455 415996693 /nfs/dbraw/zinc/99/66/93/415996693.db2.gz TXYZZVCVHKTTSE-NEPJUHHUSA-N 1 2 322.413 0.305 10 0 DCAELO CCc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000155288455 415996696 /nfs/dbraw/zinc/99/66/96/415996696.db2.gz TXYZZVCVHKTTSE-NEPJUHHUSA-N 1 2 322.413 0.305 10 0 DCAELO C[NH+](C)CC(=O)N1CCN(C(=O)[C@H]2CCCc3[nH]ncc32)CC1 ZINC000132657889 415935985 /nfs/dbraw/zinc/93/59/85/415935985.db2.gz GZBRYPPFKAJVRH-LBPRGKRZSA-N 1 2 319.409 0.062 10 0 DCAELO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1nnc2n1CCCC2 ZINC000173625320 416061975 /nfs/dbraw/zinc/06/19/75/416061975.db2.gz GZQLLXAWINXNMK-QWRGUYRKSA-N 1 2 322.413 0.888 10 0 DCAELO COCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1nnc2n1CCCC2 ZINC000173626813 416062409 /nfs/dbraw/zinc/06/24/09/416062409.db2.gz VXVIOLQZFXRRNB-NEPJUHHUSA-N 1 2 309.414 0.806 10 0 DCAELO O=C(NCc1cccc(CO)c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173908743 416068570 /nfs/dbraw/zinc/06/85/70/416068570.db2.gz QCABSCDJLRBHRZ-MRXNPFEDSA-N 1 2 319.405 0.795 10 0 DCAELO CCOCCOCC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000173877892 416068834 /nfs/dbraw/zinc/06/88/34/416068834.db2.gz HKSVSBAAFXOQNP-ZIAGYGMSSA-N 1 2 300.399 0.219 10 0 DCAELO c1ccc(-n2nnnc2CN2CC[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000173946188 416069441 /nfs/dbraw/zinc/06/94/41/416069441.db2.gz FBNNPOZIZWELGZ-HNNXBMFYSA-N 1 2 314.393 0.569 10 0 DCAELO c1ccc(-n2nnnc2C[N@@H+]2CC[C@H](N3CCOCC3)C2)cc1 ZINC000173946188 416069446 /nfs/dbraw/zinc/06/94/46/416069446.db2.gz FBNNPOZIZWELGZ-HNNXBMFYSA-N 1 2 314.393 0.569 10 0 DCAELO c1ccc(-n2nnnc2C[N@H+]2CC[C@H](N3CCOCC3)C2)cc1 ZINC000173946188 416069449 /nfs/dbraw/zinc/06/94/49/416069449.db2.gz FBNNPOZIZWELGZ-HNNXBMFYSA-N 1 2 314.393 0.569 10 0 DCAELO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2cccnn2)CC1 ZINC000170649392 416027303 /nfs/dbraw/zinc/02/73/03/416027303.db2.gz PQMCJTRDFPTQEX-CYBMUJFWSA-N 1 2 307.398 0.140 10 0 DCAELO CNC(=O)[C@@H](Nc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1)C(C)C ZINC000301784087 416092635 /nfs/dbraw/zinc/09/26/35/416092635.db2.gz OGMPDHKWWNLRHA-DOMZBBRYSA-N 1 2 321.425 0.868 10 0 DCAELO CNC(=O)[C@@H](Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)C(C)C ZINC000301784087 416092644 /nfs/dbraw/zinc/09/26/44/416092644.db2.gz OGMPDHKWWNLRHA-DOMZBBRYSA-N 1 2 321.425 0.868 10 0 DCAELO CC(C)C(=O)N[C@@H]1CCCN(c2nc3c(cnn3C)c(N)[nH+]2)C1 ZINC000302885592 416101394 /nfs/dbraw/zinc/10/13/94/416101394.db2.gz MMSBVGSLDASJJH-SNVBAGLBSA-N 1 2 317.397 0.687 10 0 DCAELO COc1cccc([C@@H]2C[C@@H]2C(=O)NC[C@@H]2C[NH+]3CCN2CC3)c1 ZINC000178616794 416166734 /nfs/dbraw/zinc/16/67/34/416166734.db2.gz LOUSCTJATXUTTA-PVAVHDDUSA-N 1 2 315.417 0.915 10 0 DCAELO O=C(NC[C@H]1C[NH+]2CCN1CC2)C(=O)Nc1c(F)cccc1F ZINC000178965861 416178814 /nfs/dbraw/zinc/17/88/14/416178814.db2.gz OLCBPIXCAUXXOG-JTQLQIEISA-N 1 2 324.331 0.019 10 0 DCAELO CCc1cccc(NC(=O)C(=O)NC[C@@H]2C[NH+]3CCN2CC3)c1 ZINC000178963342 416179321 /nfs/dbraw/zinc/17/93/21/416179321.db2.gz VBPWYDXUYQNZHQ-OAHLLOKOSA-N 1 2 316.405 0.304 10 0 DCAELO CCc1ccc(NC(=O)C(=O)NC[C@@H]2C[NH+]3CCN2CC3)cc1 ZINC000178960207 416179512 /nfs/dbraw/zinc/17/95/12/416179512.db2.gz HNWYMCNHGJQLHS-OAHLLOKOSA-N 1 2 316.405 0.304 10 0 DCAELO Cc1ccc(F)c(NC(=O)C(=O)NC[C@H]2C[NH+]3CCN2CC3)c1 ZINC000178960274 416179613 /nfs/dbraw/zinc/17/96/13/416179613.db2.gz FLNFLPBYGBJUED-LBPRGKRZSA-N 1 2 320.368 0.189 10 0 DCAELO Cc1cc(F)ccc1NC(=O)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178958599 416179949 /nfs/dbraw/zinc/17/99/49/416179949.db2.gz IOGUPVROVNYFOW-CYBMUJFWSA-N 1 2 320.368 0.189 10 0 DCAELO Cn1ncc2c1ncc(C(=O)N1CC[N@@H+]3CCCC[C@H]3C1)c2O ZINC000179459296 416189059 /nfs/dbraw/zinc/18/90/59/416189059.db2.gz KKXQPQPEHVVUNZ-NSHDSACASA-N 1 2 315.377 0.984 10 0 DCAELO Cn1ncc2c1ncc(C(=O)N1CC[N@H+]3CCCC[C@H]3C1)c2O ZINC000179459296 416189063 /nfs/dbraw/zinc/18/90/63/416189063.db2.gz KKXQPQPEHVVUNZ-NSHDSACASA-N 1 2 315.377 0.984 10 0 DCAELO CC(C)CCS(=O)(=O)N1CC[NH2+]C[C@H]1c1cnn(C)c1 ZINC000181699004 416211315 /nfs/dbraw/zinc/21/13/15/416211315.db2.gz ATYMZJXUKZCKJP-ZDUSSCGKSA-N 1 2 300.428 0.742 10 0 DCAELO Cc1cccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1 ZINC000190031135 416273806 /nfs/dbraw/zinc/27/38/06/416273806.db2.gz FVDURCFNFOLBCC-ZDUSSCGKSA-N 1 2 305.378 0.459 10 0 DCAELO Cc1cccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1 ZINC000190031135 416273809 /nfs/dbraw/zinc/27/38/09/416273809.db2.gz FVDURCFNFOLBCC-ZDUSSCGKSA-N 1 2 305.378 0.459 10 0 DCAELO CNC(=O)CNC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000190172335 416276138 /nfs/dbraw/zinc/27/61/38/416276138.db2.gz OSSFVRWWQPNLGK-UHFFFAOYSA-N 1 2 324.812 0.743 10 0 DCAELO CNC(=O)CNC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000190172335 416276140 /nfs/dbraw/zinc/27/61/40/416276140.db2.gz OSSFVRWWQPNLGK-UHFFFAOYSA-N 1 2 324.812 0.743 10 0 DCAELO Cc1cc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c(C)o1 ZINC000183244000 416238908 /nfs/dbraw/zinc/23/89/08/416238908.db2.gz DTHUEXFEQIRSRH-GHMZBOCLSA-N 1 2 316.423 0.972 10 0 DCAELO Cc1cc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c(C)o1 ZINC000183244000 416238912 /nfs/dbraw/zinc/23/89/12/416238912.db2.gz DTHUEXFEQIRSRH-GHMZBOCLSA-N 1 2 316.423 0.972 10 0 DCAELO Cc1nnc(NCC[NH+]2CCN(C(=O)C3CCC3)CC2)nc1C ZINC000359617175 416351962 /nfs/dbraw/zinc/35/19/62/416351962.db2.gz HZJZRSSSVIWOKF-UHFFFAOYSA-N 1 2 318.425 0.845 10 0 DCAELO CCCCOC[C@H](O)C[N@@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000195215379 416325331 /nfs/dbraw/zinc/32/53/31/416325331.db2.gz NSDGHJXXNFMQSH-QWHCGFSZSA-N 1 2 308.444 0.130 10 0 DCAELO CCCCOC[C@H](O)C[N@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000195215379 416325332 /nfs/dbraw/zinc/32/53/32/416325332.db2.gz NSDGHJXXNFMQSH-QWHCGFSZSA-N 1 2 308.444 0.130 10 0 DCAELO CC(C)Cn1c(N)c(C(=O)C[N@@H+]2CCC23CCC3)c(=O)[nH]c1=O ZINC000533023185 416471328 /nfs/dbraw/zinc/47/13/28/416471328.db2.gz AHTIYQOHQUSBSS-UHFFFAOYSA-N 1 2 320.393 0.998 10 0 DCAELO CC(C)Cn1c(N)c(C(=O)C[N@H+]2CCC23CCC3)c(=O)[nH]c1=O ZINC000533023185 416471332 /nfs/dbraw/zinc/47/13/32/416471332.db2.gz AHTIYQOHQUSBSS-UHFFFAOYSA-N 1 2 320.393 0.998 10 0 DCAELO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2cccc3ncnn32)C[C@H](C)O1 ZINC000583604532 416475630 /nfs/dbraw/zinc/47/56/30/416475630.db2.gz JVKNFBKZRSNKKI-BETUJISGSA-N 1 2 317.393 0.911 10 0 DCAELO C[C@@H]1C[N@H+](CCN(C)C(=O)c2cccc3ncnn32)C[C@H](C)O1 ZINC000583604532 416475635 /nfs/dbraw/zinc/47/56/35/416475635.db2.gz JVKNFBKZRSNKKI-BETUJISGSA-N 1 2 317.393 0.911 10 0 DCAELO O=C(C[N@H+]1CC[C@@](O)(c2cn[nH]n2)C1)NCCC1CCCCC1 ZINC000583618422 416479259 /nfs/dbraw/zinc/47/92/59/416479259.db2.gz VGYDSWPRFUYCEO-INIZCTEOSA-N 1 2 321.425 0.785 10 0 DCAELO O=C(C[N@@H+]1CC[C@@](O)(c2cn[nH]n2)C1)NCCC1CCCCC1 ZINC000583618422 416479264 /nfs/dbraw/zinc/47/92/64/416479264.db2.gz VGYDSWPRFUYCEO-INIZCTEOSA-N 1 2 321.425 0.785 10 0 DCAELO O=C(C[N@H+]1CC[C@@](O)(c2c[nH]nn2)C1)NCCC1CCCCC1 ZINC000583618422 416479270 /nfs/dbraw/zinc/47/92/70/416479270.db2.gz VGYDSWPRFUYCEO-INIZCTEOSA-N 1 2 321.425 0.785 10 0 DCAELO O=C(C[N@@H+]1CC[C@@](O)(c2c[nH]nn2)C1)NCCC1CCCCC1 ZINC000583618422 416479272 /nfs/dbraw/zinc/47/92/72/416479272.db2.gz VGYDSWPRFUYCEO-INIZCTEOSA-N 1 2 321.425 0.785 10 0 DCAELO CC(C)(C)n1cc(C[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)nn1 ZINC000361556575 416449223 /nfs/dbraw/zinc/44/92/23/416449223.db2.gz IPRLPWLNTKEOOW-LLVKDONJSA-N 1 2 315.443 0.534 10 0 DCAELO CC(C)(C)n1cc(C[N@H+]2CCC[C@@H](CS(N)(=O)=O)C2)nn1 ZINC000361556575 416449225 /nfs/dbraw/zinc/44/92/25/416449225.db2.gz IPRLPWLNTKEOOW-LLVKDONJSA-N 1 2 315.443 0.534 10 0 DCAELO COC(=O)[C@H](C1CC1)[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000434744468 416493383 /nfs/dbraw/zinc/49/33/83/416493383.db2.gz HELGYRJRKPYLNM-OLZOCXBDSA-N 1 2 316.423 0.438 10 0 DCAELO COC(=O)[C@H](C1CC1)[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000434744468 416493387 /nfs/dbraw/zinc/49/33/87/416493387.db2.gz HELGYRJRKPYLNM-OLZOCXBDSA-N 1 2 316.423 0.438 10 0 DCAELO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCS1(=O)=O ZINC000544257100 416653657 /nfs/dbraw/zinc/65/36/57/416653657.db2.gz IUHPSLWGBRRJOK-STQMWFEESA-N 1 2 302.440 0.944 10 0 DCAELO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCS1(=O)=O ZINC000544257100 416653661 /nfs/dbraw/zinc/65/36/61/416653661.db2.gz IUHPSLWGBRRJOK-STQMWFEESA-N 1 2 302.440 0.944 10 0 DCAELO CCCN(C(=O)[C@H](C)[N@H+](C)CCCO)[C@@H]1CCS(=O)(=O)C1 ZINC000440946984 416653812 /nfs/dbraw/zinc/65/38/12/416653812.db2.gz WWLGJWYMZRKGRX-QWHCGFSZSA-N 1 2 320.455 0.115 10 0 DCAELO CCCN(C(=O)[C@H](C)[N@@H+](C)CCCO)[C@@H]1CCS(=O)(=O)C1 ZINC000440946984 416653813 /nfs/dbraw/zinc/65/38/13/416653813.db2.gz WWLGJWYMZRKGRX-QWHCGFSZSA-N 1 2 320.455 0.115 10 0 DCAELO Cc1ccsc1CNC(=O)C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000368815443 416694863 /nfs/dbraw/zinc/69/48/63/416694863.db2.gz COQMGJPRSIZTIY-ZDUSSCGKSA-N 1 2 309.435 0.689 10 0 DCAELO Cc1ccsc1CNC(=O)C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000368815443 416694867 /nfs/dbraw/zinc/69/48/67/416694867.db2.gz COQMGJPRSIZTIY-ZDUSSCGKSA-N 1 2 309.435 0.689 10 0 DCAELO O=S(=O)(CC[N@@H+]1CCN2CCOC[C@H]2C1)Cc1ccccc1 ZINC000370043093 416872034 /nfs/dbraw/zinc/87/20/34/416872034.db2.gz NYUMHJZFIMDJRO-MRXNPFEDSA-N 1 2 324.446 0.618 10 0 DCAELO O=S(=O)(CC[N@H+]1CCN2CCOC[C@H]2C1)Cc1ccccc1 ZINC000370043093 416872042 /nfs/dbraw/zinc/87/20/42/416872042.db2.gz NYUMHJZFIMDJRO-MRXNPFEDSA-N 1 2 324.446 0.618 10 0 DCAELO Nc1cc([C@H]2c3ccccc3CCN2S(N)(=O)=O)cc[nH+]1 ZINC000616583991 417079909 /nfs/dbraw/zinc/07/99/09/417079909.db2.gz HFJBXFXTLFXDDJ-AWEZNQCLSA-N 1 2 304.375 0.815 10 0 DCAELO CCOC(=O)[C@H]1C[N@H+](CCNC(=O)OC(C)(C)C)CCN1 ZINC000616653798 417090990 /nfs/dbraw/zinc/09/09/90/417090990.db2.gz KNKMZXWXOHPTQC-LLVKDONJSA-N 1 2 301.387 0.348 10 0 DCAELO CCOC(=O)[C@H]1C[N@@H+](CCNC(=O)OC(C)(C)C)CCN1 ZINC000616653798 417090995 /nfs/dbraw/zinc/09/09/95/417090995.db2.gz KNKMZXWXOHPTQC-LLVKDONJSA-N 1 2 301.387 0.348 10 0 DCAELO O=C([C@H]1CCCCC(=O)N1)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000407967751 417131039 /nfs/dbraw/zinc/13/10/39/417131039.db2.gz RGOKWPHVXDZJNU-KGLIPLIRSA-N 1 2 302.378 0.613 10 0 DCAELO Cn1cc[nH+]c1[C@H]1CN(C(=O)Nc2nncs2)CCN1C ZINC000408332548 417156826 /nfs/dbraw/zinc/15/68/26/417156826.db2.gz UZRUIYNIPINBKN-SECBINFHSA-N 1 2 307.383 0.792 10 0 DCAELO CCOC(=O)[C@H]1CN(c2[nH+]cnc3c2cnn3C)CC12COC2 ZINC000450569459 417238547 /nfs/dbraw/zinc/23/85/47/417238547.db2.gz WPIPKIVMYSIWJQ-LLVKDONJSA-N 1 2 317.349 0.379 10 0 DCAELO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)CC1(CS(C)(=O)=O)CC1 ZINC000155557387 296952966 /nfs/dbraw/zinc/95/29/66/296952966.db2.gz KXRMDTTWYLTYOQ-VXGBXAGGSA-N 1 2 302.440 0.752 10 0 DCAELO CCC1(CC)CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC[S@]1=O ZINC000183850637 261117666 /nfs/dbraw/zinc/11/76/66/261117666.db2.gz ABYIHVILFWIBNC-FKIZINRSSA-N 1 2 302.440 0.467 10 0 DCAELO CCC1(CC)CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC[S@]1=O ZINC000183850637 261117671 /nfs/dbraw/zinc/11/76/71/261117671.db2.gz ABYIHVILFWIBNC-FKIZINRSSA-N 1 2 302.440 0.467 10 0 DCAELO COc1ccc(COC[C@@H](O)C[NH+]2CC(NC(C)=O)C2)cc1 ZINC000191730083 261138519 /nfs/dbraw/zinc/13/85/19/261138519.db2.gz WXEIIMQDGRMOCE-HNNXBMFYSA-N 1 2 308.378 0.393 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCc3ccc4cc[nH]c4n3)C[C@H]21 ZINC000360502201 261839509 /nfs/dbraw/zinc/83/95/09/261839509.db2.gz CCGHXHSEXGPXQM-ZIAGYGMSSA-N 1 2 315.377 0.787 10 0 DCAELO C[N@H+]1CCO[C@@H]2CN(C(=O)NCc3ccc4cc[nH]c4n3)C[C@H]21 ZINC000360502201 261839511 /nfs/dbraw/zinc/83/95/11/261839511.db2.gz CCGHXHSEXGPXQM-ZIAGYGMSSA-N 1 2 315.377 0.787 10 0 DCAELO CC(=O)N1CC[NH+](CCNC(=O)C[C@@H](O)CC(C)(C)C)CC1 ZINC000362566957 262047443 /nfs/dbraw/zinc/04/74/43/262047443.db2.gz GXGVIMMUOJDKNA-CQSZACIVSA-N 1 2 313.442 0.454 10 0 DCAELO O=C(C[N@@H+]1CCN2CCOC[C@@H]2C1)NCc1ccc(Cl)cc1 ZINC000363793259 262130394 /nfs/dbraw/zinc/13/03/94/262130394.db2.gz HUAJYRVCXKVUFX-HNNXBMFYSA-N 1 2 323.824 0.973 10 0 DCAELO O=C(C[N@H+]1CCN2CCOC[C@@H]2C1)NCc1ccc(Cl)cc1 ZINC000363793259 262130396 /nfs/dbraw/zinc/13/03/96/262130396.db2.gz HUAJYRVCXKVUFX-HNNXBMFYSA-N 1 2 323.824 0.973 10 0 DCAELO COC(=O)C(C)(C)N1CC[NH+]([C@@H]2CCN(C(C)C)C2=O)CC1 ZINC000494389689 272220387 /nfs/dbraw/zinc/22/03/87/272220387.db2.gz XHCJVTKDRHKYJH-CYBMUJFWSA-N 1 2 311.426 0.565 10 0 DCAELO CC(=O)N1CCC[C@H]1C(=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000328727271 276982084 /nfs/dbraw/zinc/98/20/84/276982084.db2.gz VASKARZXVPRSAI-GJZGRUSLSA-N 1 2 302.378 0.565 10 0 DCAELO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccc4[nH]nnc4c3)[C@H]2C1 ZINC000285989891 277152718 /nfs/dbraw/zinc/15/27/18/277152718.db2.gz YIAOPKOMTVGOEE-KBPBESRZSA-N 1 2 301.350 0.503 10 0 DCAELO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccc4[nH]nnc4c3)[C@H]2C1 ZINC000285989891 277152719 /nfs/dbraw/zinc/15/27/19/277152719.db2.gz YIAOPKOMTVGOEE-KBPBESRZSA-N 1 2 301.350 0.503 10 0 DCAELO C[C@H](NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1)c1cnn(C)c1 ZINC000285524439 278240394 /nfs/dbraw/zinc/24/03/94/278240394.db2.gz TXJOLGDODMOHMA-YUTCNCBUSA-N 1 2 307.398 0.596 10 0 DCAELO C[C@H](NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1)c1cnn(C)c1 ZINC000285524439 278240396 /nfs/dbraw/zinc/24/03/96/278240396.db2.gz TXJOLGDODMOHMA-YUTCNCBUSA-N 1 2 307.398 0.596 10 0 DCAELO CCC(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000547674983 288067454 /nfs/dbraw/zinc/06/74/54/288067454.db2.gz LYTGNPZMORDIKN-QWHCGFSZSA-N 1 2 319.409 0.898 10 0 DCAELO Cc1csc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)n1 ZINC000372736069 279043248 /nfs/dbraw/zinc/04/32/48/279043248.db2.gz GLQBJJKEUOPJRI-JBLDHEPKSA-N 1 2 308.407 0.976 10 0 DCAELO Cc1csc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)n1 ZINC000372736069 279043251 /nfs/dbraw/zinc/04/32/51/279043251.db2.gz GLQBJJKEUOPJRI-JBLDHEPKSA-N 1 2 308.407 0.976 10 0 DCAELO C[C@H](C(=O)NCC(F)(F)F)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000246185833 279223017 /nfs/dbraw/zinc/22/30/17/279223017.db2.gz UUJJRSXSCMWHDA-IJLUTSLNSA-N 1 2 323.359 0.706 10 0 DCAELO C[N@@H+](CC(=O)OC(C)(C)C)C[C@H](O)COC[C@@H]1CCCO1 ZINC000548909119 288186457 /nfs/dbraw/zinc/18/64/57/288186457.db2.gz UBFRUBPYTFBQIQ-STQMWFEESA-N 1 2 303.399 0.816 10 0 DCAELO C[N@H+](CC(=O)OC(C)(C)C)C[C@H](O)COC[C@@H]1CCCO1 ZINC000548909119 288186459 /nfs/dbraw/zinc/18/64/59/288186459.db2.gz UBFRUBPYTFBQIQ-STQMWFEESA-N 1 2 303.399 0.816 10 0 DCAELO CC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000551885386 288240431 /nfs/dbraw/zinc/24/04/31/288240431.db2.gz SIDILOFRRMFPAD-STQMWFEESA-N 1 2 320.393 0.984 10 0 DCAELO CC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000551885386 288240434 /nfs/dbraw/zinc/24/04/34/288240434.db2.gz SIDILOFRRMFPAD-STQMWFEESA-N 1 2 320.393 0.984 10 0 DCAELO CC1(C)C[S@](=O)CC[N@@H+]1C[C@@H](O)COC[C@H]1CCCO1 ZINC000551985877 288255151 /nfs/dbraw/zinc/25/51/51/288255151.db2.gz ORFHMHVGPFXSRR-VFGMZZLHSA-N 1 2 305.440 0.386 10 0 DCAELO CC1(C)C[S@](=O)CC[N@H+]1C[C@@H](O)COC[C@H]1CCCO1 ZINC000551985877 288255152 /nfs/dbraw/zinc/25/51/52/288255152.db2.gz ORFHMHVGPFXSRR-VFGMZZLHSA-N 1 2 305.440 0.386 10 0 DCAELO CO[C@@H]1CCCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000552744462 288279749 /nfs/dbraw/zinc/27/97/49/288279749.db2.gz YZBJRPGQERRTKS-GFCCVEGCSA-N 1 2 302.334 0.910 10 0 DCAELO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CCO1 ZINC000552779493 288280546 /nfs/dbraw/zinc/28/05/46/288280546.db2.gz DZNCHVJAKNAEQB-QWRGUYRKSA-N 1 2 302.334 0.957 10 0 DCAELO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)CC[S@](C)=O)C[C@@H](C)O1 ZINC000154981079 297014033 /nfs/dbraw/zinc/01/40/33/297014033.db2.gz GNWPPUXILCOBDJ-UWPRPCKVSA-N 1 2 316.467 0.855 10 0 DCAELO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1S(=O)(=O)C[C@H]1CCOC1 ZINC000329432674 297809073 /nfs/dbraw/zinc/80/90/73/297809073.db2.gz KYOXZCRNBBEYBA-HZSPNIEDSA-N 1 2 318.439 0.148 10 0 DCAELO Cn1cc(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)ccc1=O ZINC000173266338 302915658 /nfs/dbraw/zinc/91/56/58/302915658.db2.gz AYUUYEPOZZJHHK-AWEZNQCLSA-N 1 2 320.393 0.714 10 0 DCAELO O=C(N[C@H]1CCOC2(CCC2)C1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000580258288 333042553 /nfs/dbraw/zinc/04/25/53/333042553.db2.gz WFCYGMXMPVXVFO-ZDUSSCGKSA-N 1 2 321.421 0.511 10 0 DCAELO C[C@@]1(CO)CCCN1C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000584508391 337351479 /nfs/dbraw/zinc/35/14/79/337351479.db2.gz LQPRQWMPJAJGAL-HNNXBMFYSA-N 1 2 302.334 0.646 10 0 DCAELO COC(=O)c1ccc(N2CC[NH+]([C@H](C)C(N)=O)CC2)nc1C ZINC000301972694 534189451 /nfs/dbraw/zinc/18/94/51/534189451.db2.gz UHAFJWOZGGTKKL-LLVKDONJSA-N 1 2 306.366 0.172 10 0 DCAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@@H]1CC(=O)N(C)C1)C2 ZINC000267505441 519869149 /nfs/dbraw/zinc/86/91/49/519869149.db2.gz OGGISCJQPBJDPJ-LLVKDONJSA-N 1 2 319.409 0.842 10 0 DCAELO COC(=O)[C@@H]1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC000365041524 523708443 /nfs/dbraw/zinc/70/84/43/523708443.db2.gz RNUHUOMAMAIEGZ-JHJVBQTASA-N 1 2 313.398 0.158 10 0 DCAELO COC(=O)[C@@H]1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC000365041524 523708449 /nfs/dbraw/zinc/70/84/49/523708449.db2.gz RNUHUOMAMAIEGZ-JHJVBQTASA-N 1 2 313.398 0.158 10 0 DCAELO COC(=O)[C@H]1CCCN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)C1 ZINC000266275226 523952202 /nfs/dbraw/zinc/95/22/02/523952202.db2.gz SACSWKPVQPYTPH-STQMWFEESA-N 1 2 320.393 0.827 10 0 DCAELO COC(=O)[C@H]1CCCN(c2cc(N3CCC[C@H]3CO)nc[nH+]2)C1 ZINC000266275226 523952207 /nfs/dbraw/zinc/95/22/07/523952207.db2.gz SACSWKPVQPYTPH-STQMWFEESA-N 1 2 320.393 0.827 10 0 DCAELO Cc1ccc(C)c(OCC(=O)NC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000154125412 524165579 /nfs/dbraw/zinc/16/55/79/524165579.db2.gz QLICWMHVYGPNQD-OAHLLOKOSA-N 1 2 322.405 0.492 10 0 DCAELO C[C@H](CS(=O)(=O)N1CC[NH+](CCO)CC1)c1ccccc1 ZINC000149455952 524596984 /nfs/dbraw/zinc/59/69/84/524596984.db2.gz JUMZPEQZCHBTMO-CQSZACIVSA-N 1 2 312.435 0.730 10 0 DCAELO C[C@@H](c1nnnn1C)[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000189136306 526185979 /nfs/dbraw/zinc/18/59/79/526185979.db2.gz IMXSDROBYTWUPI-NWDGAFQWSA-N 1 2 302.386 0.662 10 0 DCAELO C[C@@H](c1nnnn1C)[N@@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000189136306 526185983 /nfs/dbraw/zinc/18/59/83/526185983.db2.gz IMXSDROBYTWUPI-NWDGAFQWSA-N 1 2 302.386 0.662 10 0 DCAELO CC[C@H]1CN(S(=O)(=O)[C@H](C)COC)CC[N@@H+]1CCOC ZINC000246712940 529299938 /nfs/dbraw/zinc/29/99/38/529299938.db2.gz NFOCWNNJPNLGBL-OLZOCXBDSA-N 1 2 308.444 0.394 10 0 DCAELO CC[C@H]1CN(S(=O)(=O)[C@H](C)COC)CC[N@H+]1CCOC ZINC000246712940 529299939 /nfs/dbraw/zinc/29/99/39/529299939.db2.gz NFOCWNNJPNLGBL-OLZOCXBDSA-N 1 2 308.444 0.394 10 0 DCAELO O=c1nc(Cn2cc(C[NH2+]C3CC3)nn2)[nH]c2ccsc21 ZINC000090297670 545715419 /nfs/dbraw/zinc/71/54/19/545715419.db2.gz OLOPEMDVWJCDDE-UHFFFAOYSA-N 1 2 302.363 0.876 10 0 DCAELO O=C(CC[C@@H]1CCCCO1)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000132359226 545793174 /nfs/dbraw/zinc/79/31/74/545793174.db2.gz RQRYIAWGVAAIND-KGLIPLIRSA-N 1 2 300.399 0.145 10 0 DCAELO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)CC[C@H]2CCCO2)CC1 ZINC000182403121 545905226 /nfs/dbraw/zinc/90/52/26/545905226.db2.gz GTDNGIMRMMBDPR-UONOGXRCSA-N 1 2 320.455 0.274 10 0 DCAELO C[C@@H](CNC(=O)c1[nH]nnc1-c1ccccc1)[NH+]1CCOCC1 ZINC000189054285 545919308 /nfs/dbraw/zinc/91/93/08/545919308.db2.gz NRNYUHVLKLPCHI-LBPRGKRZSA-N 1 2 315.377 0.922 10 0 DCAELO CC[C@@]1(C)C[N@@H+]([C@H](C)C(=O)N(C)CC(=O)NC2CC2)CCO1 ZINC000248994310 545970050 /nfs/dbraw/zinc/97/00/50/545970050.db2.gz XSJVFBODXLEUAS-WBMJQRKESA-N 1 2 311.426 0.613 10 0 DCAELO CC[C@@]1(C)C[N@H+]([C@H](C)C(=O)N(C)CC(=O)NC2CC2)CCO1 ZINC000248994310 545970053 /nfs/dbraw/zinc/97/00/53/545970053.db2.gz XSJVFBODXLEUAS-WBMJQRKESA-N 1 2 311.426 0.613 10 0 DCAELO COC(=O)[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)C1 ZINC000181383354 665567756 /nfs/dbraw/zinc/56/77/56/665567756.db2.gz GWSIHNABTMDCLU-ZIAGYGMSSA-N 1 2 320.393 0.635 10 0 DCAELO COC(=O)[C@@H]1CC(=O)N(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)C1 ZINC000181383354 665567759 /nfs/dbraw/zinc/56/77/59/665567759.db2.gz GWSIHNABTMDCLU-ZIAGYGMSSA-N 1 2 320.393 0.635 10 0 DCAELO COC(=O)[C@@H]1CC(=O)N(C[N@H+]2CCC[C@@H]2Cn2ccnc2C)C1 ZINC000181383354 665567763 /nfs/dbraw/zinc/56/77/63/665567763.db2.gz GWSIHNABTMDCLU-ZIAGYGMSSA-N 1 2 320.393 0.635 10 0 DCAELO O=S1(=O)CCC[C@@H]1C[NH2+]Cc1nc(Br)c[nH]1 ZINC000309297702 658831184 /nfs/dbraw/zinc/83/11/84/658831184.db2.gz XKVWSSNKCJUATF-SSDOTTSWSA-N 1 2 308.201 0.839 10 0 DCAELO C[C@@H]1CN(C(=O)[C@H]2CC(F)(F)CN2)C[C@@H]1[NH+]1CCOCC1 ZINC000262690562 662531437 /nfs/dbraw/zinc/53/14/37/662531437.db2.gz AEMSXAGMAVGIJD-UTUOFQBUSA-N 1 2 303.353 0.163 10 0 DCAELO O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262927467 662599921 /nfs/dbraw/zinc/59/99/21/662599921.db2.gz HOIBBPQTKXUAIO-CMPLNLGQSA-N 1 2 309.316 0.905 10 0 DCAELO O=C(CN1CC(=O)NC1=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000171867121 664613652 /nfs/dbraw/zinc/61/36/52/664613652.db2.gz VUDOTHIZVKQWEE-UHFFFAOYSA-N 1 2 313.317 0.040 10 0 DCAELO CC[S@](=O)CCNC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000741421854 664838054 /nfs/dbraw/zinc/83/80/54/664838054.db2.gz RFEQTRHOSLNYBD-ZSEKCTLFSA-N 1 2 317.455 0.261 10 0 DCAELO C#CCNC(=O)C[NH+](CCCC1CCCC1)CC(=O)NCC#C ZINC000031462936 665330587 /nfs/dbraw/zinc/33/05/87/665330587.db2.gz ZERCRQADKSIMSW-UHFFFAOYSA-N 1 2 317.433 0.758 10 0 DCAELO CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC000702830308 667001323 /nfs/dbraw/zinc/00/13/23/667001323.db2.gz JYQPVFVTQLXLMB-NWDGAFQWSA-N 1 2 324.381 0.227 10 0 DCAELO CO[C@@H]1CCCCN(CC(=O)N2CCn3c[nH+]cc3C2)C1=O ZINC000886077643 667729281 /nfs/dbraw/zinc/72/92/81/667729281.db2.gz DIJIRCRXBCVMDU-CYBMUJFWSA-N 1 2 306.366 0.253 10 0 DCAELO CO[C@@H]1CN(c2cc(NC3CC3)[nH+]cn2)C[C@H]1c1cn(C)nn1 ZINC000886079428 667729737 /nfs/dbraw/zinc/72/97/37/667729737.db2.gz XWITVBXJKQPEMK-WCQYABFASA-N 1 2 315.381 0.798 10 0 DCAELO CO[C@@H]1CN(c2cc(NC3CC3)nc[nH+]2)C[C@H]1c1cn(C)nn1 ZINC000886079428 667729739 /nfs/dbraw/zinc/72/97/39/667729739.db2.gz XWITVBXJKQPEMK-WCQYABFASA-N 1 2 315.381 0.798 10 0 DCAELO C[NH+](C)Cc1cc(O[C@@H]2CCN(Cc3c[nH]nn3)C2)ccn1 ZINC000886088859 667730900 /nfs/dbraw/zinc/73/09/00/667730900.db2.gz ZDIDLBKUVDWBJN-OAHLLOKOSA-N 1 2 302.382 0.915 10 0 DCAELO C[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000712355909 667743976 /nfs/dbraw/zinc/74/39/76/667743976.db2.gz HYEJHLVPQVHPKC-SECBINFHSA-N 1 2 314.798 0.970 10 0 DCAELO C[N@H+]1CC[C@@H]1CNS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000712355909 667743978 /nfs/dbraw/zinc/74/39/78/667743978.db2.gz HYEJHLVPQVHPKC-SECBINFHSA-N 1 2 314.798 0.970 10 0 DCAELO Cn1cc([C@H](O)CNC(=O)Nc2ccc3[nH+]ccn3c2)cn1 ZINC000743168740 667804564 /nfs/dbraw/zinc/80/45/64/667804564.db2.gz DFYWFMWWZABZCQ-GFCCVEGCSA-N 1 2 300.322 0.923 10 0 DCAELO COC(=O)c1cn(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)nn1 ZINC000101903904 671787475 /nfs/dbraw/zinc/78/74/75/671787475.db2.gz BMQRTIMBRZICGN-LBPRGKRZSA-N 1 2 323.397 0.506 10 0 DCAELO COC(=O)c1cn(C[N@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)nn1 ZINC000101903904 671787477 /nfs/dbraw/zinc/78/74/77/671787477.db2.gz BMQRTIMBRZICGN-LBPRGKRZSA-N 1 2 323.397 0.506 10 0 DCAELO Cn1cc(C[NH2+]Cc2ncc(Cl)s2)c(=O)n(C)c1=O ZINC000719440671 685310925 /nfs/dbraw/zinc/31/09/25/685310925.db2.gz JYYKWGSVFMQINU-UHFFFAOYSA-N 1 2 300.771 0.484 10 0 DCAELO O=S(=O)(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)c1c[nH]cn1 ZINC000720485131 685313224 /nfs/dbraw/zinc/31/32/24/685313224.db2.gz TVZSNRSOFIYQGP-ZJUUUORDSA-N 1 2 302.425 0.268 10 0 DCAELO O=S(=O)(N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)c1c[nH]cn1 ZINC000720485131 685313229 /nfs/dbraw/zinc/31/32/29/685313229.db2.gz TVZSNRSOFIYQGP-ZJUUUORDSA-N 1 2 302.425 0.268 10 0 DCAELO CN1C(=O)CC[C@@H]([NH2+]Cc2nc(Br)c[nH]2)C1=O ZINC000383297085 685242846 /nfs/dbraw/zinc/24/28/46/685242846.db2.gz OFVKCNWVFMRCAI-ZCFIWIBFSA-N 1 2 301.144 0.409 10 0 DCAELO C[C@H]([NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1nnnn1C ZINC000189817505 1187953609 /nfs/dbraw/zinc/95/36/09/1187953609.db2.gz WYTHBXHBFFEOFQ-IUCAKERBSA-N 1 2 310.383 0.269 10 0 DCAELO CNC(=O)c1ccc(N(CC2CC2)C[C@H]2C[N@H+](C)CCO2)nn1 ZINC000278745414 214371148 /nfs/dbraw/zinc/37/11/48/214371148.db2.gz MFTHZLIHWYNQCY-CYBMUJFWSA-N 1 2 319.409 0.383 10 0 DCAELO CNC(=O)c1ccc(N(CC2CC2)C[C@H]2C[N@@H+](C)CCO2)nn1 ZINC000278745414 214371150 /nfs/dbraw/zinc/37/11/50/214371150.db2.gz MFTHZLIHWYNQCY-CYBMUJFWSA-N 1 2 319.409 0.383 10 0 DCAELO Cc1nccc(N2CC[NH+](CC3CCS(=O)(=O)CC3)CC2)n1 ZINC000273768013 282187097 /nfs/dbraw/zinc/18/70/97/282187097.db2.gz VLSHDKAXVLRDDH-UHFFFAOYSA-N 1 2 324.450 0.732 10 0 DCAELO Cn1cc[nH+]c1[C@@H]1CN(Cc2nnnn2C2CC2)CCN1C ZINC000279918072 215236829 /nfs/dbraw/zinc/23/68/29/215236829.db2.gz FGHCWEDUWHUXBS-LBPRGKRZSA-N 1 2 302.386 0.230 10 0 DCAELO O=C(Nc1ccc(CCc2ccccn2)cc1)[C@H]1C[NH2+]CC(=O)N1 ZINC000071765353 191027459 /nfs/dbraw/zinc/02/74/59/191027459.db2.gz AMVWQKODMGIQOL-MRXNPFEDSA-N 1 2 324.384 0.893 10 0 DCAELO C[C@@H]1c2cccn2CC[N@H+]1CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000072822016 191232846 /nfs/dbraw/zinc/23/28/46/191232846.db2.gz TUDNRFDHGVEKST-OLZOCXBDSA-N 1 2 304.394 0.589 10 0 DCAELO C[C@@H]1c2cccn2CC[N@@H+]1CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000072822016 191232849 /nfs/dbraw/zinc/23/28/49/191232849.db2.gz TUDNRFDHGVEKST-OLZOCXBDSA-N 1 2 304.394 0.589 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(C)n[nH]2)nc[nH+]1 ZINC000173446787 198216022 /nfs/dbraw/zinc/21/60/22/198216022.db2.gz MKYKPZPMUMPTHR-LLVKDONJSA-N 1 2 315.381 0.949 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(C)n[nH]2)[nH+]cn1 ZINC000173446787 198216024 /nfs/dbraw/zinc/21/60/24/198216024.db2.gz MKYKPZPMUMPTHR-LLVKDONJSA-N 1 2 315.381 0.949 10 0 DCAELO Cc1cc(NC(=O)C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)no1 ZINC000173963158 198274222 /nfs/dbraw/zinc/27/42/22/198274222.db2.gz UXTMAKKZCLDQTM-CMPLNLGQSA-N 1 2 322.365 0.101 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNc2nccn(C)c2=O)nc[nH+]1 ZINC000174730782 198377176 /nfs/dbraw/zinc/37/71/76/198377176.db2.gz RVVUXDMUDCXQER-NSHDSACASA-N 1 2 315.381 0.693 10 0 DCAELO C[C@H](CNC(=O)N(C)[C@H](C)c1cnn(C)c1)[NH+]1CCOCC1 ZINC000180322973 199145762 /nfs/dbraw/zinc/14/57/62/199145762.db2.gz ZKPUVOYLXQFLPT-CHWSQXEVSA-N 1 2 309.414 0.843 10 0 DCAELO Cc1cccc(CS(=O)(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1 ZINC000188729544 200295477 /nfs/dbraw/zinc/29/54/77/200295477.db2.gz AYZNJNAQWOCDDC-CQSZACIVSA-N 1 2 312.435 0.823 10 0 DCAELO Cc1cccc(CS(=O)(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1 ZINC000188729544 200295479 /nfs/dbraw/zinc/29/54/79/200295479.db2.gz AYZNJNAQWOCDDC-CQSZACIVSA-N 1 2 312.435 0.823 10 0 DCAELO CC(C)[C@H](O)CC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000154701468 291215024 /nfs/dbraw/zinc/21/50/24/291215024.db2.gz ZOURGWJTFGFCEM-TZMCWYRMSA-N 1 2 311.426 0.205 10 0 DCAELO O[C@H](Cn1nnnc1/C=C/c1ccccc1)C[NH+]1CCOCC1 ZINC000164173295 291247811 /nfs/dbraw/zinc/24/78/11/291247811.db2.gz RZRNFCVRJABSEF-LFAOLKIESA-N 1 2 315.377 0.537 10 0 DCAELO NC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CCc3cc(F)ccc3C2)C1 ZINC000091891565 193122918 /nfs/dbraw/zinc/12/29/18/193122918.db2.gz ORTSTDQOHZGWDJ-AWEZNQCLSA-N 1 2 319.380 0.908 10 0 DCAELO NC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CCc3cc(F)ccc3C2)C1 ZINC000091891565 193122919 /nfs/dbraw/zinc/12/29/19/193122919.db2.gz ORTSTDQOHZGWDJ-AWEZNQCLSA-N 1 2 319.380 0.908 10 0 DCAELO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC000364902197 284206975 /nfs/dbraw/zinc/20/69/75/284206975.db2.gz NUFVAEKODGDULR-LOWDOPEQSA-N 1 2 301.408 0.695 10 0 DCAELO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC000364902197 284206976 /nfs/dbraw/zinc/20/69/76/284206976.db2.gz NUFVAEKODGDULR-LOWDOPEQSA-N 1 2 301.408 0.695 10 0 DCAELO CC(=O)N1Cc2[nH+]ccn2C[C@@H](CNC(=O)c2cccnc2)C1 ZINC000096188675 193568880 /nfs/dbraw/zinc/56/88/80/193568880.db2.gz BNQZEIZNWBTQPQ-CYBMUJFWSA-N 1 2 313.361 0.686 10 0 DCAELO O=C(N[C@@H]1CCC[C@H]2OCC[C@@H]21)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000571684322 291527767 /nfs/dbraw/zinc/52/77/67/291527767.db2.gz HHQCIIVOLGULFZ-RBSFLKMASA-N 1 2 321.421 0.367 10 0 DCAELO Cc1cc([C@@H]2CCCN(C(=O)NC[C@@H]3C[N@H+](C)CCO3)C2)[nH]n1 ZINC000282554066 217085149 /nfs/dbraw/zinc/08/51/49/217085149.db2.gz XLBHSTQUQXSICQ-ZIAGYGMSSA-N 1 2 321.425 0.938 10 0 DCAELO Cc1cc([C@@H]2CCCN(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)C2)[nH]n1 ZINC000282554066 217085153 /nfs/dbraw/zinc/08/51/53/217085153.db2.gz XLBHSTQUQXSICQ-ZIAGYGMSSA-N 1 2 321.425 0.938 10 0 DCAELO Cc1cc([C@@H]2CCCN(C(=O)NC[C@@H]3C[N@H+](C)CCO3)C2)n[nH]1 ZINC000282554066 217085155 /nfs/dbraw/zinc/08/51/55/217085155.db2.gz XLBHSTQUQXSICQ-ZIAGYGMSSA-N 1 2 321.425 0.938 10 0 DCAELO Cc1cc([C@@H]2CCCN(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)C2)n[nH]1 ZINC000282554066 217085160 /nfs/dbraw/zinc/08/51/60/217085160.db2.gz XLBHSTQUQXSICQ-ZIAGYGMSSA-N 1 2 321.425 0.938 10 0 DCAELO C[C@@H]1CN(C(=O)c2cnn3cccnc23)C[C@H]1[NH+]1CCOCC1 ZINC000266109366 205103964 /nfs/dbraw/zinc/10/39/64/205103964.db2.gz AHLAOUGZDANORZ-TZMCWYRMSA-N 1 2 315.377 0.522 10 0 DCAELO COC(=O)c1cc(Nc2nc[nH+]c(N)c2N)cc(C(=O)OC)c1 ZINC000040705593 183121296 /nfs/dbraw/zinc/12/12/96/183121296.db2.gz JUKHQIJKQMNGPC-UHFFFAOYSA-N 1 2 317.305 0.958 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H](O)Cc2ccccc2)C1 ZINC000104797883 194041552 /nfs/dbraw/zinc/04/15/52/194041552.db2.gz QOKWNQYWUXXOCT-HUUCEWRRSA-N 1 2 307.394 0.220 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)NC[C@H](O)Cc2ccccc2)C1 ZINC000104797883 194041554 /nfs/dbraw/zinc/04/15/54/194041554.db2.gz QOKWNQYWUXXOCT-HUUCEWRRSA-N 1 2 307.394 0.220 10 0 DCAELO C[C@@H](NC(=O)N1CCC([C@H](C)O)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000159203651 533115681 /nfs/dbraw/zinc/11/56/81/533115681.db2.gz KZVQFFSYDOPLFS-MCIONIFRSA-N 1 2 313.442 0.898 10 0 DCAELO CC(=O)[C@@H](C)CCCCC(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000351484112 254338275 /nfs/dbraw/zinc/33/82/75/254338275.db2.gz QOMBMPCCOWIRSF-ZFWWWQNUSA-N 1 2 314.426 0.581 10 0 DCAELO Cn1cc[nH+]c1CN1C[C@H](F)C[C@H]1CNC(=O)[C@H]1CCCO1 ZINC000351632902 254355015 /nfs/dbraw/zinc/35/50/15/254355015.db2.gz KXQMISNJGASUMJ-FRRDWIJNSA-N 1 2 310.373 0.628 10 0 DCAELO COc1cnccc1[C@H](C)NC(=O)NCC[NH+]1CCOCC1 ZINC000187820788 533144939 /nfs/dbraw/zinc/14/49/39/533144939.db2.gz WHOZBINPZZKYRV-LBPRGKRZSA-N 1 2 308.382 0.783 10 0 DCAELO C[C@@H](C(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1)c1ccccc1 ZINC000276658167 533212070 /nfs/dbraw/zinc/21/20/70/533212070.db2.gz YPLQLHQJMFQQNC-HIFRSBDPSA-N 1 2 319.405 0.435 10 0 DCAELO 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/nfs/dbraw/zinc/33/05/73/130330573.db2.gz BVNIUYKEFBJTPU-BFHYXJOUSA-N 1 2 304.394 0.934 10 0 DCAELO C[C@H](Oc1cccnc1)C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000283966517 131037473 /nfs/dbraw/zinc/03/74/73/131037473.db2.gz GSATWYODYUXCSE-AEGPPILISA-N 1 2 305.378 0.780 10 0 DCAELO C[C@H](Oc1cccnc1)C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000283966517 131037474 /nfs/dbraw/zinc/03/74/74/131037474.db2.gz GSATWYODYUXCSE-AEGPPILISA-N 1 2 305.378 0.780 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCCCn3cccn3)C[C@@H]21 ZINC000284189387 131057546 /nfs/dbraw/zinc/05/75/46/131057546.db2.gz YDWNYWZRXDIBFC-UONOGXRCSA-N 1 2 307.398 0.388 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCCCn3cccn3)C[C@@H]21 ZINC000284189387 131057547 /nfs/dbraw/zinc/05/75/47/131057547.db2.gz YDWNYWZRXDIBFC-UONOGXRCSA-N 1 2 307.398 0.388 10 0 DCAELO Cc1noc(C)c1CNC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000285405352 131165338 /nfs/dbraw/zinc/16/53/38/131165338.db2.gz MJZDCYNHNQNBRQ-ZIAGYGMSSA-N 1 2 308.382 0.906 10 0 DCAELO 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/nfs/dbraw/zinc/92/84/48/395928448.db2.gz WQDWYAQVZCKEBG-QWHCGFSZSA-N 1 2 304.456 0.573 10 0 DCAELO CC(=O)N1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@@H](C)C1 ZINC000272357832 395886305 /nfs/dbraw/zinc/88/63/05/395886305.db2.gz RQRRFCAVRKUIAG-LBPRGKRZSA-N 1 2 313.361 0.960 10 0 DCAELO COC[C@@H](C)S(=O)(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000246170606 395943152 /nfs/dbraw/zinc/94/31/52/395943152.db2.gz MPGKNPDKXQMOSL-KGLIPLIRSA-N 1 2 320.455 0.538 10 0 DCAELO CC(=O)N1CCC[C@@H]1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000057728212 395947333 /nfs/dbraw/zinc/94/73/33/395947333.db2.gz LNMNCZZXRBMACQ-CQSZACIVSA-N 1 2 302.378 0.741 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@@H](O)Cc2ccccc2)C1 ZINC000246469813 395950502 /nfs/dbraw/zinc/95/05/02/395950502.db2.gz QOKWNQYWUXXOCT-GJZGRUSLSA-N 1 2 307.394 0.220 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)NC[C@@H](O)Cc2ccccc2)C1 ZINC000246469813 395950505 /nfs/dbraw/zinc/95/05/05/395950505.db2.gz QOKWNQYWUXXOCT-GJZGRUSLSA-N 1 2 307.394 0.220 10 0 DCAELO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000246521338 395951966 /nfs/dbraw/zinc/95/19/66/395951966.db2.gz PHJPSCLDYZONFV-PEBLQZBPSA-N 1 2 311.426 0.644 10 0 DCAELO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000246521338 395951967 /nfs/dbraw/zinc/95/19/67/395951967.db2.gz PHJPSCLDYZONFV-PEBLQZBPSA-N 1 2 311.426 0.644 10 0 DCAELO CCC(=O)N1CC[C@H](C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000246563641 395952721 /nfs/dbraw/zinc/95/27/21/395952721.db2.gz XZUFTIMQQRKGCC-ILXRZTDVSA-N 1 2 323.437 0.424 10 0 DCAELO C[C@H]1CN(C[C@@H](O)C[NH+]2CCOCC2)c2ccccc2NC1=O ZINC000246938047 395961782 /nfs/dbraw/zinc/96/17/82/395961782.db2.gz UBKZTAFMTWTEOU-KBPBESRZSA-N 1 2 319.405 0.774 10 0 DCAELO Cc1ccc(C(N)=O)cc1NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000150781940 395972906 /nfs/dbraw/zinc/97/29/06/395972906.db2.gz FWSDHLAEAHSNOX-GFCCVEGCSA-N 1 2 306.366 0.546 10 0 DCAELO Cc1ccc(C(N)=O)cc1NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000150781940 395972908 /nfs/dbraw/zinc/97/29/08/395972908.db2.gz FWSDHLAEAHSNOX-GFCCVEGCSA-N 1 2 306.366 0.546 10 0 DCAELO CCc1nnc([C@H]2CN(C(=O)NCCn3cc[nH+]c3)CCO2)[nH]1 ZINC000151106758 395979404 /nfs/dbraw/zinc/97/94/04/395979404.db2.gz RAHYDYKMQZHDKR-LLVKDONJSA-N 1 2 319.369 0.347 10 0 DCAELO CCc1nc([C@H]2CN(C(=O)NCCn3cc[nH+]c3)CCO2)n[nH]1 ZINC000151106758 395979407 /nfs/dbraw/zinc/97/94/07/395979407.db2.gz RAHYDYKMQZHDKR-LLVKDONJSA-N 1 2 319.369 0.347 10 0 DCAELO Cc1ccc(F)c(S(=O)(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1 ZINC000253149650 396025442 /nfs/dbraw/zinc/02/54/42/396025442.db2.gz DSMFFHWIUDEFSB-LBPRGKRZSA-N 1 2 316.398 0.821 10 0 DCAELO Cc1ccc(F)c(S(=O)(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1 ZINC000253149650 396025443 /nfs/dbraw/zinc/02/54/43/396025443.db2.gz DSMFFHWIUDEFSB-LBPRGKRZSA-N 1 2 316.398 0.821 10 0 DCAELO COc1cccc(CC(=O)NC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000154118986 396031583 /nfs/dbraw/zinc/03/15/83/396031583.db2.gz ANOMXPOUZQFDMD-CQSZACIVSA-N 1 2 308.378 0.047 10 0 DCAELO CCOc1ccc(CC(=O)NC[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000154131901 396032064 /nfs/dbraw/zinc/03/20/64/396032064.db2.gz QCPCFRYJCUTAHB-HNNXBMFYSA-N 1 2 322.405 0.437 10 0 DCAELO CC(C)CS(=O)(=O)CCC(=O)N1[C@@H](C)C[NH+](C)C[C@@H]1C ZINC000155594804 396054887 /nfs/dbraw/zinc/05/48/87/396054887.db2.gz KBHXIRZMEIGKOH-STQMWFEESA-N 1 2 304.456 0.998 10 0 DCAELO CO[C@@H]1CC[C@@H]2OCC[N@H+](C[C@@H](C)CS(C)(=O)=O)[C@H]2C1 ZINC000158266148 396064192 /nfs/dbraw/zinc/06/41/92/396064192.db2.gz RVXFVDXGXCJYTD-MQYQWHSLSA-N 1 2 305.440 0.935 10 0 DCAELO CO[C@@H]1CC[C@@H]2OCC[N@@H+](C[C@@H](C)CS(C)(=O)=O)[C@H]2C1 ZINC000158266148 396064194 /nfs/dbraw/zinc/06/41/94/396064194.db2.gz RVXFVDXGXCJYTD-MQYQWHSLSA-N 1 2 305.440 0.935 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)c2cnc3ccccc3c2O)C1 ZINC000171287883 396112931 /nfs/dbraw/zinc/11/29/31/396112931.db2.gz OFXAMJZWKUDFHM-LLVKDONJSA-N 1 2 301.346 0.589 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)c2cnc3ccccc3c2O)C1 ZINC000171287883 396112933 /nfs/dbraw/zinc/11/29/33/396112933.db2.gz OFXAMJZWKUDFHM-LLVKDONJSA-N 1 2 301.346 0.589 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(N3CCCC3)nc2)C1 ZINC000171403970 396115990 /nfs/dbraw/zinc/11/59/90/396115990.db2.gz FYXFZZIUCIGILT-AWEZNQCLSA-N 1 2 304.394 0.742 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(N3CCCC3)nc2)C1 ZINC000171403970 396115994 /nfs/dbraw/zinc/11/59/94/396115994.db2.gz FYXFZZIUCIGILT-AWEZNQCLSA-N 1 2 304.394 0.742 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)Nc2ccc(-n3nccn3)cc2)C1 ZINC000171706014 396122798 /nfs/dbraw/zinc/12/27/98/396122798.db2.gz JTXPGCLNSZXLAE-CQSZACIVSA-N 1 2 316.365 0.719 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)Nc2ccc(-n3nccn3)cc2)C1 ZINC000171706014 396122803 /nfs/dbraw/zinc/12/28/03/396122803.db2.gz JTXPGCLNSZXLAE-CQSZACIVSA-N 1 2 316.365 0.719 10 0 DCAELO CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263223660 396206641 /nfs/dbraw/zinc/20/66/41/396206641.db2.gz MKTDUIBEFZOOEE-VWYCJHECSA-N 1 2 303.353 0.747 10 0 DCAELO O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000263228095 396207424 /nfs/dbraw/zinc/20/74/24/396207424.db2.gz NBODRWNARKBHRK-GHMZBOCLSA-N 1 2 300.309 0.108 10 0 DCAELO C[C@H](NC(=O)[C@H]1CC(F)(F)C[NH2+]1)c1nnnn1-c1ccccc1 ZINC000263229054 396207509 /nfs/dbraw/zinc/20/75/09/396207509.db2.gz NEJCXPFWILQEFZ-GXSJLCMTSA-N 1 2 322.319 0.837 10 0 DCAELO O=C(NCC[C@H]1CCC[NH2+]C1)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000262604154 396160386 /nfs/dbraw/zinc/16/03/86/396160386.db2.gz SAEFKUXTCFMOLY-SECBINFHSA-N 1 2 317.349 0.556 10 0 DCAELO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)C(C)(C)C)CC1 ZINC000075635784 396183508 /nfs/dbraw/zinc/18/35/08/396183508.db2.gz XISXKWWOXATJGB-CYBMUJFWSA-N 1 2 311.426 0.424 10 0 DCAELO CN(CC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CCNC1=O ZINC000178204431 396191256 /nfs/dbraw/zinc/19/12/56/396191256.db2.gz FSSFNVBCKBVVJU-INIZCTEOSA-N 1 2 302.422 0.629 10 0 DCAELO Cc1nsc(N2CCN(C(=O)[C@@H]3CC(F)(F)C[NH2+]3)CC2)n1 ZINC000263168155 396204396 /nfs/dbraw/zinc/20/43/96/396204396.db2.gz FJSZVMUVXZLWEC-VIFPVBQESA-N 1 2 317.365 0.492 10 0 DCAELO O=C(NC[C@H]1CCCN1c1cccnn1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263313961 396213696 /nfs/dbraw/zinc/21/36/96/396213696.db2.gz ZEKGYPMVBALXOP-MNOVXSKESA-N 1 2 311.336 0.559 10 0 DCAELO COCC(=O)NC1C[NH+](C[C@@H](O)COCc2cccs2)C1 ZINC000185093542 396317499 /nfs/dbraw/zinc/31/74/99/396317499.db2.gz MZQRKAPHMGXYQD-GFCCVEGCSA-N 1 2 314.407 0.072 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)CCc2cccc3c2OCO3)C1 ZINC000184279413 396289303 /nfs/dbraw/zinc/28/93/03/396289303.db2.gz RKWSDKDSKMMABD-CYBMUJFWSA-N 1 2 306.362 0.795 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)CCc2cccc3c2OCO3)C1 ZINC000184279413 396289305 /nfs/dbraw/zinc/28/93/05/396289305.db2.gz RKWSDKDSKMMABD-CYBMUJFWSA-N 1 2 306.362 0.795 10 0 DCAELO COCCNC(=O)CN1CC[NH+](Cc2ccc(C)nc2C)CC1 ZINC000186437503 396350175 /nfs/dbraw/zinc/35/01/75/396350175.db2.gz ZVYVJJZUTNSSAH-UHFFFAOYSA-N 1 2 320.437 0.579 10 0 DCAELO CCn1cc(S(=O)(=O)N2CCC[C@H]2Cn2cc[nH+]c2)cn1 ZINC000266115128 396350817 /nfs/dbraw/zinc/35/08/17/396350817.db2.gz NPOGOHWKXLKSOT-LBPRGKRZSA-N 1 2 309.395 0.953 10 0 DCAELO COc1ncc(Cl)c(NC[C@H](O)C[NH+]2CCOCC2)n1 ZINC000269369934 396410295 /nfs/dbraw/zinc/41/02/95/396410295.db2.gz PAOAJEFHLUHNMZ-VIFPVBQESA-N 1 2 302.762 0.244 10 0 DCAELO Cn1cc(N2CCC[C@H]([N@@H+]3CCCN(C)C(=O)C3)C2=O)cn1 ZINC000191111704 396415745 /nfs/dbraw/zinc/41/57/45/396415745.db2.gz TUUWYNGQPANZOM-ZDUSSCGKSA-N 1 2 305.382 0.080 10 0 DCAELO Cn1cc(N2CCC[C@H]([N@H+]3CCCN(C)C(=O)C3)C2=O)cn1 ZINC000191111704 396415747 /nfs/dbraw/zinc/41/57/47/396415747.db2.gz TUUWYNGQPANZOM-ZDUSSCGKSA-N 1 2 305.382 0.080 10 0 DCAELO Cn1cc(N2CCC[C@@H]([N@@H+]3CCCN(C)C(=O)C3)C2=O)cn1 ZINC000191111718 396416111 /nfs/dbraw/zinc/41/61/11/396416111.db2.gz TUUWYNGQPANZOM-CYBMUJFWSA-N 1 2 305.382 0.080 10 0 DCAELO Cn1cc(N2CCC[C@@H]([N@H+]3CCCN(C)C(=O)C3)C2=O)cn1 ZINC000191111718 396416113 /nfs/dbraw/zinc/41/61/13/396416113.db2.gz TUUWYNGQPANZOM-CYBMUJFWSA-N 1 2 305.382 0.080 10 0 DCAELO CC(=O)c1cccc(OC[C@@H](O)C[N@H+]2CCCN(C)C(=O)C2)c1 ZINC000191118424 396416239 /nfs/dbraw/zinc/41/62/39/396416239.db2.gz UZOQWAXKGNLBPO-HNNXBMFYSA-N 1 2 320.389 0.793 10 0 DCAELO CC(=O)c1cccc(OC[C@@H](O)C[N@@H+]2CCCN(C)C(=O)C2)c1 ZINC000191118424 396416242 /nfs/dbraw/zinc/41/62/42/396416242.db2.gz UZOQWAXKGNLBPO-HNNXBMFYSA-N 1 2 320.389 0.793 10 0 DCAELO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCCN1c1nccs1 ZINC000192474107 396431736 /nfs/dbraw/zinc/43/17/36/396431736.db2.gz KEKYQWXOYUYALM-OLZOCXBDSA-N 1 2 324.450 0.949 10 0 DCAELO Cn1ncc2c1nc(N1CC(O)(c3ccc(F)cc3)C1)[nH+]c2N ZINC000192784335 396437457 /nfs/dbraw/zinc/43/74/57/396437457.db2.gz DNHSRKYTGCILCS-UHFFFAOYSA-N 1 2 314.324 0.792 10 0 DCAELO CCc1ccc(CS(=O)(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000372201161 396496540 /nfs/dbraw/zinc/49/65/40/396496540.db2.gz LFVQNENYHBGJFV-OAHLLOKOSA-N 1 2 312.435 0.999 10 0 DCAELO CCc1ccc(CS(=O)(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000372201161 396496541 /nfs/dbraw/zinc/49/65/41/396496541.db2.gz LFVQNENYHBGJFV-OAHLLOKOSA-N 1 2 312.435 0.999 10 0 DCAELO COCCOC1CN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000516042153 396510963 /nfs/dbraw/zinc/51/09/63/396510963.db2.gz PYPBDONEPPVAEE-UHFFFAOYSA-N 1 2 318.333 0.147 10 0 DCAELO CC1=CC[N@H+](CCNC(=O)N2CC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000580089377 396487532 /nfs/dbraw/zinc/48/75/32/396487532.db2.gz XZELPIXTCGEZMT-CYBMUJFWSA-N 1 2 315.439 0.467 10 0 DCAELO CC1=CC[N@@H+](CCNC(=O)N2CC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000580089377 396487533 /nfs/dbraw/zinc/48/75/33/396487533.db2.gz XZELPIXTCGEZMT-CYBMUJFWSA-N 1 2 315.439 0.467 10 0 DCAELO CC(C)(C)OC(=O)CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000560999724 396627469 /nfs/dbraw/zinc/62/74/69/396627469.db2.gz YQWUFRBQRFULIJ-UHFFFAOYSA-N 1 2 318.333 0.731 10 0 DCAELO CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CCOCC[C@H]1C)C(=O)OC ZINC000374990186 396702519 /nfs/dbraw/zinc/70/25/19/396702519.db2.gz RZWPMWBXQUNNPG-SCRDCRAPSA-N 1 2 300.399 0.801 10 0 DCAELO CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCOCC[C@H]1C)C(=O)OC ZINC000374990186 396702522 /nfs/dbraw/zinc/70/25/22/396702522.db2.gz RZWPMWBXQUNNPG-SCRDCRAPSA-N 1 2 300.399 0.801 10 0 DCAELO Cc1nc(C2(NC[C@@H](O)C[NH+]3CCOCC3)CCCC2)no1 ZINC000304291319 396728942 /nfs/dbraw/zinc/72/89/42/396728942.db2.gz JQVKUBVVPHHZNQ-CYBMUJFWSA-N 1 2 310.398 0.430 10 0 DCAELO Cc1nc(C2([NH2+]C[C@@H](O)CN3CCOCC3)CCCC2)no1 ZINC000304291319 396728944 /nfs/dbraw/zinc/72/89/44/396728944.db2.gz JQVKUBVVPHHZNQ-CYBMUJFWSA-N 1 2 310.398 0.430 10 0 DCAELO NC(=O)c1noc([C@@H]2CCC[N@@H+]2CCCN2CCOCC2)n1 ZINC000328631943 396826793 /nfs/dbraw/zinc/82/67/93/396826793.db2.gz KZOQBCUCRUCJFE-NSHDSACASA-N 1 2 309.370 0.028 10 0 DCAELO NC(=O)c1noc([C@@H]2CCC[N@H+]2CCCN2CCOCC2)n1 ZINC000328631943 396826801 /nfs/dbraw/zinc/82/68/01/396826801.db2.gz KZOQBCUCRUCJFE-NSHDSACASA-N 1 2 309.370 0.028 10 0 DCAELO CCN1CCN(C(=O)[C@@]2(O)CCSC2)C[C@@H]1c1[nH+]ccn1C ZINC000328630284 396827188 /nfs/dbraw/zinc/82/71/88/396827188.db2.gz PSSGRWKATDEEQF-IUODEOHRSA-N 1 2 324.450 0.493 10 0 DCAELO COC(=O)[C@@H]1CC[C@@H]1C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000375855178 396834257 /nfs/dbraw/zinc/83/42/57/396834257.db2.gz ZILNBXNNOMKWFE-FQUUOJAGSA-N 1 2 310.394 0.365 10 0 DCAELO Cc1[nH]ccc1C(=O)N1CCO[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000375886749 396840345 /nfs/dbraw/zinc/84/03/45/396840345.db2.gz ZCFGSMRKMIRZDK-AWEZNQCLSA-N 1 2 306.410 0.412 10 0 DCAELO CC[C@@H](C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C)N1CCCC1=O ZINC000329554757 396846594 /nfs/dbraw/zinc/84/65/94/396846594.db2.gz GUWGHZGTYYZKFD-QLFBSQMISA-N 1 2 323.437 0.709 10 0 DCAELO C[C@H]([C@H](C)NC(=O)N1CC[C@@H](CC(N)=O)C1)[NH+]1CCOCC1 ZINC000376755126 396974351 /nfs/dbraw/zinc/97/43/51/396974351.db2.gz LHVVNCHLJUUGIN-XQQFMLRXSA-N 1 2 312.414 0.003 10 0 DCAELO CN(CCn1cccn1)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000572861545 397104159 /nfs/dbraw/zinc/10/41/59/397104159.db2.gz ULIDWZIHGSHKJY-UHFFFAOYSA-N 1 2 312.333 0.628 10 0 DCAELO Cn1cccc1C(=O)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000377828008 397149459 /nfs/dbraw/zinc/14/94/59/397149459.db2.gz BZQVTPARJIPECT-ZDUSSCGKSA-N 1 2 304.394 0.452 10 0 DCAELO C[C@H](C[N@@H+]1C[C@H](C)OC2(CCOCC2)C1)CS(C)(=O)=O ZINC000366076157 397337420 /nfs/dbraw/zinc/33/74/20/397337420.db2.gz XUNZTECICQYMFI-OLZOCXBDSA-N 1 2 305.440 0.937 10 0 DCAELO C[C@H](C[N@H+]1C[C@H](C)OC2(CCOCC2)C1)CS(C)(=O)=O ZINC000366076157 397337423 /nfs/dbraw/zinc/33/74/23/397337423.db2.gz XUNZTECICQYMFI-OLZOCXBDSA-N 1 2 305.440 0.937 10 0 DCAELO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC(=O)NC(=O)NC3CC3)[C@@H]2C1 ZINC000407993788 397343817 /nfs/dbraw/zinc/34/38/17/397343817.db2.gz UGTNLACXQWLCTG-UPJWGTAASA-N 1 2 311.382 0.243 10 0 DCAELO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC(=O)NC(=O)NC3CC3)[C@@H]2C1 ZINC000407993788 397343818 /nfs/dbraw/zinc/34/38/18/397343818.db2.gz UGTNLACXQWLCTG-UPJWGTAASA-N 1 2 311.382 0.243 10 0 DCAELO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000408082456 397346277 /nfs/dbraw/zinc/34/62/77/397346277.db2.gz GTOODGLYBAPMJS-GHMZBOCLSA-N 1 2 311.407 0.499 10 0 DCAELO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000408082456 397346281 /nfs/dbraw/zinc/34/62/81/397346281.db2.gz GTOODGLYBAPMJS-GHMZBOCLSA-N 1 2 311.407 0.499 10 0 DCAELO CCc1nc(C(C)(C)NC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)no1 ZINC000579911512 397597340 /nfs/dbraw/zinc/59/73/40/397597340.db2.gz JOVROODCUWILDX-NSHDSACASA-N 1 2 324.429 0.412 10 0 DCAELO CCc1nc(C(C)(C)NC(=O)NC[C@H]2CN(C)CC[N@H+]2C)no1 ZINC000579911512 397597342 /nfs/dbraw/zinc/59/73/42/397597342.db2.gz JOVROODCUWILDX-NSHDSACASA-N 1 2 324.429 0.412 10 0 DCAELO Cc1nnc(CN2CC[NH+]([C@H](C)C(=O)NC(C)(C)C)CC2)[nH]1 ZINC000605422864 397664802 /nfs/dbraw/zinc/66/48/02/397664802.db2.gz YXMQLPJSQKDXIR-LLVKDONJSA-N 1 2 308.430 0.534 10 0 DCAELO O=C(NCCCC1CC1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605561768 397667900 /nfs/dbraw/zinc/66/79/00/397667900.db2.gz LAVLHIGLLDYYPE-OAHLLOKOSA-N 1 2 323.437 0.474 10 0 DCAELO CCS(=O)(=O)C[C@@H](C)NC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000072684345 158052379 /nfs/dbraw/zinc/05/23/79/158052379.db2.gz FAPWHCXYMIVNSY-GFCCVEGCSA-N 1 2 317.455 0.689 10 0 DCAELO CCS(=O)(=O)C[C@@H](C)NC(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000072684345 158052382 /nfs/dbraw/zinc/05/23/82/158052382.db2.gz FAPWHCXYMIVNSY-GFCCVEGCSA-N 1 2 317.455 0.689 10 0 DCAELO C[C@@H](CNC(=O)[C@H]1CCCN1c1nccs1)[NH+]1CCOCC1 ZINC000075573903 158062208 /nfs/dbraw/zinc/06/22/08/158062208.db2.gz ZSUUNXHUGAVRFU-QWHCGFSZSA-N 1 2 324.450 0.949 10 0 DCAELO C[C@H](CNC(=O)[C@@H]1CCCN1c1nccs1)[NH+]1CCOCC1 ZINC000075573902 158062496 /nfs/dbraw/zinc/06/24/96/158062496.db2.gz ZSUUNXHUGAVRFU-OLZOCXBDSA-N 1 2 324.450 0.949 10 0 DCAELO CC(C)(CNC(=O)NC[C@@H]1CCCC[C@@H]1O)[NH+]1CCOCC1 ZINC000077752764 158070401 /nfs/dbraw/zinc/07/04/01/158070401.db2.gz XHDHCIPGGVLAOV-KBPBESRZSA-N 1 2 313.442 0.948 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)NCC(=O)NC2CCCCC2)C1 ZINC000104798800 158129655 /nfs/dbraw/zinc/12/96/55/158129655.db2.gz RZDVFMHHCRHXHQ-CYBMUJFWSA-N 1 2 312.414 0.065 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)NCC(=O)NC2CCCCC2)C1 ZINC000104798800 158129656 /nfs/dbraw/zinc/12/96/56/158129656.db2.gz RZDVFMHHCRHXHQ-CYBMUJFWSA-N 1 2 312.414 0.065 10 0 DCAELO Cc1nc(C)c(CCNC(=O)NC[C@@H]2C[N@H+](C)CCO2)s1 ZINC000108441453 158136061 /nfs/dbraw/zinc/13/60/61/158136061.db2.gz OLBYRPMWJNMZGQ-GFCCVEGCSA-N 1 2 312.439 0.932 10 0 DCAELO Cc1nc(C)c(CCNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)s1 ZINC000108441453 158136064 /nfs/dbraw/zinc/13/60/64/158136064.db2.gz OLBYRPMWJNMZGQ-GFCCVEGCSA-N 1 2 312.439 0.932 10 0 DCAELO CCS(=O)(=O)C[C@H](C)NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000113633111 158148527 /nfs/dbraw/zinc/14/85/27/158148527.db2.gz HTZQMZVDWRRREB-QWHCGFSZSA-N 1 2 317.455 0.689 10 0 DCAELO CCS(=O)(=O)C[C@H](C)NC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000113633111 158148530 /nfs/dbraw/zinc/14/85/30/158148530.db2.gz HTZQMZVDWRRREB-QWHCGFSZSA-N 1 2 317.455 0.689 10 0 DCAELO CCCS(=O)(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000115581170 158163081 /nfs/dbraw/zinc/16/30/81/158163081.db2.gz GXEASVUYFKJDRG-UHFFFAOYSA-N 1 2 300.428 0.668 10 0 DCAELO CCCS(=O)(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000115581170 158163084 /nfs/dbraw/zinc/16/30/84/158163084.db2.gz GXEASVUYFKJDRG-UHFFFAOYSA-N 1 2 300.428 0.668 10 0 DCAELO CNC(=O)NC(=O)C[NH+]1CCN(c2ccc(F)cc2OC)CC1 ZINC000115550567 158163351 /nfs/dbraw/zinc/16/33/51/158163351.db2.gz NPJORHMRDDKFEF-UHFFFAOYSA-N 1 2 324.356 0.412 10 0 DCAELO CCOCC[N@@H+]1CCN(C(=O)C(=O)Nc2cccnc2)C[C@@H]1C ZINC000117521796 158172064 /nfs/dbraw/zinc/17/20/64/158172064.db2.gz WODDZDMIKUDCRQ-ZDUSSCGKSA-N 1 2 320.393 0.589 10 0 DCAELO CCOCC[N@H+]1CCN(C(=O)C(=O)Nc2cccnc2)C[C@@H]1C ZINC000117521796 158172067 /nfs/dbraw/zinc/17/20/67/158172067.db2.gz WODDZDMIKUDCRQ-ZDUSSCGKSA-N 1 2 320.393 0.589 10 0 DCAELO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2ccc(=O)n(C)n2)C1 ZINC000119345343 158185411 /nfs/dbraw/zinc/18/54/11/158185411.db2.gz AVNWJTFROWTZMV-LBPRGKRZSA-N 1 2 315.377 0.609 10 0 DCAELO CC(C)C[C@@H](NC(N)=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000120120023 158193590 /nfs/dbraw/zinc/19/35/90/158193590.db2.gz HWMXHBKQGWVKEZ-CHWSQXEVSA-N 1 2 319.409 0.860 10 0 DCAELO C[C@@H](CNC(=O)N[C@H](CO)c1ccccc1)[NH+]1CCOCC1 ZINC000123118089 158226713 /nfs/dbraw/zinc/22/67/13/158226713.db2.gz WILUMYRAHWKCGQ-DZGCQCFKSA-N 1 2 307.394 0.740 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)CSCc2cscn2)C1 ZINC000128420258 158280982 /nfs/dbraw/zinc/28/09/82/158280982.db2.gz GBBNOQCTAGNEEA-LLVKDONJSA-N 1 2 301.437 0.823 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)CSCc2cscn2)C1 ZINC000128420258 158280985 /nfs/dbraw/zinc/28/09/85/158280985.db2.gz GBBNOQCTAGNEEA-LLVKDONJSA-N 1 2 301.437 0.823 10 0 DCAELO Cn1cccc1[C@H]1COCC[N@@H+]1C[C@H](O)CN1CCCC1=O ZINC000131997115 158306937 /nfs/dbraw/zinc/30/69/37/158306937.db2.gz ISDKCXHZZAEJBO-DZGCQCFKSA-N 1 2 307.394 0.382 10 0 DCAELO Cn1cccc1[C@H]1COCC[N@H+]1C[C@H](O)CN1CCCC1=O ZINC000131997115 158306938 /nfs/dbraw/zinc/30/69/38/158306938.db2.gz ISDKCXHZZAEJBO-DZGCQCFKSA-N 1 2 307.394 0.382 10 0 DCAELO Cn1cc[nH+]c1-c1cccc(NC(=O)C[C@@H]2NC(=O)NC2=O)c1 ZINC000136813205 158343651 /nfs/dbraw/zinc/34/36/51/158343651.db2.gz XXPLGNBAOAITOS-NSHDSACASA-N 1 2 313.317 0.624 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[C@H](c3cc[nH]n3)C2)C1 ZINC000172028848 158389434 /nfs/dbraw/zinc/38/94/34/158389434.db2.gz FVFCNXFSOBKZHE-STQMWFEESA-N 1 2 307.398 0.629 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[C@H](c3cc[nH]n3)C2)C1 ZINC000172028848 158389436 /nfs/dbraw/zinc/38/94/36/158389436.db2.gz FVFCNXFSOBKZHE-STQMWFEESA-N 1 2 307.398 0.629 10 0 DCAELO Cc1nn(C)c(C)c1CCC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172750907 158398811 /nfs/dbraw/zinc/39/88/11/158398811.db2.gz DSTYVQMAWLOKOZ-HNNXBMFYSA-N 1 2 320.437 0.903 10 0 DCAELO Cc1cnn(C[C@@H]2C[N@@H+]([C@@H]3CCN(C4CC4)C3=O)CCO2)c1 ZINC000328672397 159019904 /nfs/dbraw/zinc/01/99/04/159019904.db2.gz OGPBFLYMHCSIDI-LSDHHAIUSA-N 1 2 304.394 0.656 10 0 DCAELO Cc1cnn(C[C@@H]2C[N@H+]([C@@H]3CCN(C4CC4)C3=O)CCO2)c1 ZINC000328672397 159019908 /nfs/dbraw/zinc/01/99/08/159019908.db2.gz OGPBFLYMHCSIDI-LSDHHAIUSA-N 1 2 304.394 0.656 10 0 DCAELO Cn1cc([C@]2(C)C[N@@H+]([C@H]3CCN(C4CC4)C3=O)CCO2)cn1 ZINC000328684375 159020320 /nfs/dbraw/zinc/02/03/20/159020320.db2.gz WRKDVZOEUFYLDQ-HOCLYGCPSA-N 1 2 304.394 0.731 10 0 DCAELO Cn1cc([C@]2(C)C[N@H+]([C@H]3CCN(C4CC4)C3=O)CCO2)cn1 ZINC000328684375 159020321 /nfs/dbraw/zinc/02/03/21/159020321.db2.gz WRKDVZOEUFYLDQ-HOCLYGCPSA-N 1 2 304.394 0.731 10 0 DCAELO C[C@@H]1CCCN(S(=O)(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)C1 ZINC000328857364 159034795 /nfs/dbraw/zinc/03/47/95/159034795.db2.gz XVEKPGJXWYWHBF-MCIONIFRSA-N 1 2 317.455 0.368 10 0 DCAELO C[C@@H]1CCCN(S(=O)(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)C1 ZINC000328857364 159034796 /nfs/dbraw/zinc/03/47/96/159034796.db2.gz XVEKPGJXWYWHBF-MCIONIFRSA-N 1 2 317.455 0.368 10 0 DCAELO CCC(=O)N1CC[C@H](C(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)C1 ZINC000328892039 159037697 /nfs/dbraw/zinc/03/76/97/159037697.db2.gz SVQPNPOYXHNDGM-BFHYXJOUSA-N 1 2 309.410 0.176 10 0 DCAELO CCC(=O)N1CC[C@H](C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)C1 ZINC000328892039 159037700 /nfs/dbraw/zinc/03/77/00/159037700.db2.gz SVQPNPOYXHNDGM-BFHYXJOUSA-N 1 2 309.410 0.176 10 0 DCAELO Cc1nn(C)c(C)c1OCC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000328900066 159038872 /nfs/dbraw/zinc/03/88/72/159038872.db2.gz XYBJCTHSNVIPIW-ZIAGYGMSSA-N 1 2 322.409 0.347 10 0 DCAELO Cc1nn(C)c(C)c1OCC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000328900066 159038875 /nfs/dbraw/zinc/03/88/75/159038875.db2.gz XYBJCTHSNVIPIW-ZIAGYGMSSA-N 1 2 322.409 0.347 10 0 DCAELO Cc1cc(COCC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)on1 ZINC000328905460 159039972 /nfs/dbraw/zinc/03/99/72/159039972.db2.gz KAKPRLBUXJZLAT-KBPBESRZSA-N 1 2 309.366 0.431 10 0 DCAELO Cc1cc(COCC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)on1 ZINC000328905460 159039973 /nfs/dbraw/zinc/03/99/73/159039973.db2.gz KAKPRLBUXJZLAT-KBPBESRZSA-N 1 2 309.366 0.431 10 0 DCAELO O=C(CN1CCn2cc[nH+]c2C1)N1CCO[C@H]2CCCC[C@H]21 ZINC000329350872 159084622 /nfs/dbraw/zinc/08/46/22/159084622.db2.gz TXXFBBVHXSROIK-KGLIPLIRSA-N 1 2 304.394 0.869 10 0 DCAELO C[C@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CCS1(=O)=O ZINC000329408444 159089602 /nfs/dbraw/zinc/08/96/02/159089602.db2.gz CLKKEWRIBVMQAJ-NSHDSACASA-N 1 2 320.374 0.526 10 0 DCAELO CC[C@H]1CN(C(=O)c2cc(C)n(C)n2)C[C@@H]1[NH+]1CCOCC1 ZINC000329755586 159117419 /nfs/dbraw/zinc/11/74/19/159117419.db2.gz YCXBGILNEDWYNT-ZFWWWQNUSA-N 1 2 306.410 0.911 10 0 DCAELO Cn1cc[nH+]c1[C@H]1CN(Cc2nnc(C3CC3)n2C)CCN1C ZINC000329895162 159126876 /nfs/dbraw/zinc/12/68/76/159126876.db2.gz BRXVRXCIXRBLHC-CYBMUJFWSA-N 1 2 315.425 0.915 10 0 DCAELO CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCO[C@@H](C3CC3)C2)CC1 ZINC000330129720 159143964 /nfs/dbraw/zinc/14/39/64/159143964.db2.gz KDVMUPCVBLRMEV-SWLSCSKDSA-N 1 2 309.410 0.176 10 0 DCAELO CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCO[C@@H](C3CC3)C2)CC1 ZINC000330129720 159143966 /nfs/dbraw/zinc/14/39/66/159143966.db2.gz KDVMUPCVBLRMEV-SWLSCSKDSA-N 1 2 309.410 0.176 10 0 DCAELO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)CCC2CCOCC2)CC1 ZINC000330360955 159163427 /nfs/dbraw/zinc/16/34/27/159163427.db2.gz XSRHWSSPCVHAIU-CYBMUJFWSA-N 1 2 320.455 0.131 10 0 DCAELO Cc1cn2c([nH+]1)[C@@H](CNC(=O)NC[C@@]1(O)CCOC1)CCC2 ZINC000332748962 159212507 /nfs/dbraw/zinc/21/25/07/159212507.db2.gz YDAMVQJLHGFMSS-DOMZBBRYSA-N 1 2 308.382 0.520 10 0 DCAELO CC(=O)N1CCC[C@@H]1C(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000367083946 159310810 /nfs/dbraw/zinc/31/08/10/159310810.db2.gz JZVXBEWDZHFGMI-HUUCEWRRSA-N 1 2 302.378 0.565 10 0 DCAELO CC(=O)N1CSC[C@H]1C(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000367082730 159311480 /nfs/dbraw/zinc/31/14/80/159311480.db2.gz AGQQXNQXPFPNRK-KGLIPLIRSA-N 1 2 320.418 0.476 10 0 DCAELO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000368415104 159393304 /nfs/dbraw/zinc/39/33/04/159393304.db2.gz YHVQOXWWEYAKRS-ZIAGYGMSSA-N 1 2 309.410 0.178 10 0 DCAELO c1c(C[N@@H+]2CCN3CCOC[C@@H]3C2)nnn1Cc1cccnc1 ZINC000371888139 159591756 /nfs/dbraw/zinc/59/17/56/159591756.db2.gz MPLVSGJPDJOUEW-INIZCTEOSA-N 1 2 314.393 0.238 10 0 DCAELO c1c(C[N@H+]2CCN3CCOC[C@@H]3C2)nnn1Cc1cccnc1 ZINC000371888139 159591759 /nfs/dbraw/zinc/59/17/59/159591759.db2.gz MPLVSGJPDJOUEW-INIZCTEOSA-N 1 2 314.393 0.238 10 0 DCAELO Cn1ncc2c1nc[nH+]c2N[C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000407977097 160000542 /nfs/dbraw/zinc/00/05/42/160000542.db2.gz QXVHLEADIQGWCN-GHMZBOCLSA-N 1 2 324.410 0.636 10 0 DCAELO Cc1noc(C2CCN(C(=O)[C@@H](C)[NH+]3CCOCC3)CC2)n1 ZINC000408003916 160008654 /nfs/dbraw/zinc/00/86/54/160008654.db2.gz YXKFIPGWIBXXNY-LLVKDONJSA-N 1 2 308.382 0.805 10 0 DCAELO CC[C@@H]1CN(C(=O)c2cncc(O)c2)C[C@H]1[NH+]1CCOCC1 ZINC000408004148 160008844 /nfs/dbraw/zinc/00/88/44/160008844.db2.gz KOSNLSLUIBWYMW-IUODEOHRSA-N 1 2 305.378 0.970 10 0 DCAELO CCCCN(C)S(=O)(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000408017385 160012298 /nfs/dbraw/zinc/01/22/98/160012298.db2.gz RQYMVRPQQDYBHD-QWHCGFSZSA-N 1 2 305.444 0.368 10 0 DCAELO CCCCN(C)S(=O)(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000408017385 160012301 /nfs/dbraw/zinc/01/23/01/160012301.db2.gz RQYMVRPQQDYBHD-QWHCGFSZSA-N 1 2 305.444 0.368 10 0 DCAELO CO[C@H](C(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1)c1cnn(C)c1 ZINC000408020683 160013537 /nfs/dbraw/zinc/01/35/37/160013537.db2.gz FCLFMHNIUKGWAC-MCIONIFRSA-N 1 2 308.382 0.039 10 0 DCAELO CO[C@H](C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1)c1cnn(C)c1 ZINC000408020683 160013538 /nfs/dbraw/zinc/01/35/38/160013538.db2.gz FCLFMHNIUKGWAC-MCIONIFRSA-N 1 2 308.382 0.039 10 0 DCAELO C[C@@H]1C[C@H](CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)CCO1 ZINC000408020229 160013872 /nfs/dbraw/zinc/01/38/72/160013872.db2.gz CKVKFUOPFJBBOV-TUVASFSCSA-N 1 2 311.426 0.916 10 0 DCAELO C[C@@H]1C[C@H](CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)CCO1 ZINC000408020229 160013874 /nfs/dbraw/zinc/01/38/74/160013874.db2.gz CKVKFUOPFJBBOV-TUVASFSCSA-N 1 2 311.426 0.916 10 0 DCAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C1(NC(N)=O)CC1)C2 ZINC000408063666 160026725 /nfs/dbraw/zinc/02/67/25/160026725.db2.gz RQTPEUPVXWKFGT-UHFFFAOYSA-N 1 2 305.382 0.629 10 0 DCAELO CC(C)(C)[C@@H]1CCN(C(=O)NCC[NH+]2CCOCC2)C[C@@H]1O ZINC000408148650 160048607 /nfs/dbraw/zinc/04/86/07/160048607.db2.gz HOXHUAODDPFVFC-KGLIPLIRSA-N 1 2 313.442 0.757 10 0 DCAELO C[C@@H](CNS(=O)(=O)N1CCC[C@H](C)C1)[NH+]1CCOCC1 ZINC000408169377 160051740 /nfs/dbraw/zinc/05/17/40/160051740.db2.gz NUQMPCICVYPETF-STQMWFEESA-N 1 2 305.444 0.273 10 0 DCAELO C[C@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000408184354 160054914 /nfs/dbraw/zinc/05/49/14/160054914.db2.gz BFOFVJKQGADOFE-RYUDHWBXSA-N 1 2 314.411 0.184 10 0 DCAELO CC1(C)C(=O)NC(=O)N1CC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000408190006 160055949 /nfs/dbraw/zinc/05/59/49/160055949.db2.gz RKZAXMXAZAQHGX-UHFFFAOYSA-N 1 2 319.365 0.377 10 0 DCAELO CN(C)C(=O)c1ccc(C(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)cc1 ZINC000408290080 160077444 /nfs/dbraw/zinc/07/74/44/160077444.db2.gz MENJYIFUDWRGFD-HUUCEWRRSA-N 1 2 317.389 0.543 10 0 DCAELO CN(C)C(=O)c1ccc(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)cc1 ZINC000408290080 160077446 /nfs/dbraw/zinc/07/74/46/160077446.db2.gz MENJYIFUDWRGFD-HUUCEWRRSA-N 1 2 317.389 0.543 10 0 DCAELO C[C@@H]1OCC[C@]12CN(C(=O)C1([NH+]3CCOCC3)CCC1)CCO2 ZINC000408298773 160079449 /nfs/dbraw/zinc/07/94/49/160079449.db2.gz QKBVPKWFVXUNHD-YOEHRIQHSA-N 1 2 324.421 0.648 10 0 DCAELO O=C([C@@H]1OC[C@@H]2COCC[C@@H]12)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000408357176 160091670 /nfs/dbraw/zinc/09/16/70/160091670.db2.gz IZPLLGQHUVCRTB-XUWVNRHRSA-N 1 2 317.389 0.606 10 0 DCAELO Cc1nnc([C@H](C)[NH2+][C@H]2CCCC[C@H]2NS(C)(=O)=O)o1 ZINC000408381784 160096057 /nfs/dbraw/zinc/09/60/57/160096057.db2.gz ODHPRKMIYZNJLE-INTQDDNPSA-N 1 2 302.400 0.889 10 0 DCAELO Cc1nnc([C@H]2CCCC[N@@H+]2CCN2C(=O)NC(C)(C)C2=O)[nH]1 ZINC000408466608 160114517 /nfs/dbraw/zinc/11/45/17/160114517.db2.gz JIWHCAWUSUYSRJ-LLVKDONJSA-N 1 2 320.397 0.971 10 0 DCAELO Cc1nnc([C@H]2CCCC[N@H+]2CCN2C(=O)NC(C)(C)C2=O)[nH]1 ZINC000408466608 160114520 /nfs/dbraw/zinc/11/45/20/160114520.db2.gz JIWHCAWUSUYSRJ-LLVKDONJSA-N 1 2 320.397 0.971 10 0 DCAELO C[C@@H](CNC(=O)C(=O)NCc1ccc(F)cc1)[NH+]1CCOCC1 ZINC000173067882 287052608 /nfs/dbraw/zinc/05/26/08/287052608.db2.gz BEGJKLYHSKSCBQ-LBPRGKRZSA-N 1 2 323.368 0.279 10 0 DCAELO CCOCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000245446460 287069123 /nfs/dbraw/zinc/06/91/23/287069123.db2.gz ZWCUKISTVIGAKL-JQWIXIFHSA-N 1 2 312.332 0.917 10 0 DCAELO CCOCCCNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000245446460 287069126 /nfs/dbraw/zinc/06/91/26/287069126.db2.gz ZWCUKISTVIGAKL-JQWIXIFHSA-N 1 2 312.332 0.917 10 0 DCAELO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000246993596 287089767 /nfs/dbraw/zinc/08/97/67/287089767.db2.gz GHBORPCVBITATO-JHJVBQTASA-N 1 2 317.455 0.399 10 0 DCAELO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000246993596 287089771 /nfs/dbraw/zinc/08/97/71/287089771.db2.gz GHBORPCVBITATO-JHJVBQTASA-N 1 2 317.455 0.399 10 0 DCAELO Cc1ccccc1C(=O)NCC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000060531805 415343261 /nfs/dbraw/zinc/34/32/61/415343261.db2.gz FBQNLGQKSUYDGS-CQSZACIVSA-N 1 2 319.405 0.562 10 0 DCAELO COc1ccccc1[C@H](C)NC(=O)C[N@@H+]1CCNC(=O)CC1 ZINC000073350288 415417208 /nfs/dbraw/zinc/41/72/08/415417208.db2.gz MWJHJPIFINLJIZ-LBPRGKRZSA-N 1 2 305.378 0.694 10 0 DCAELO COc1ccccc1[C@H](C)NC(=O)C[N@H+]1CCNC(=O)CC1 ZINC000073350288 415417217 /nfs/dbraw/zinc/41/72/17/415417217.db2.gz MWJHJPIFINLJIZ-LBPRGKRZSA-N 1 2 305.378 0.694 10 0 DCAELO COc1ccccc1CN(C)C(=O)C[N@@H+]1CCNC(=O)CC1 ZINC000073350290 415419734 /nfs/dbraw/zinc/41/97/34/415419734.db2.gz BRDCXZCROBIGOH-UHFFFAOYSA-N 1 2 305.378 0.476 10 0 DCAELO COc1ccccc1CN(C)C(=O)C[N@H+]1CCNC(=O)CC1 ZINC000073350290 415419743 /nfs/dbraw/zinc/41/97/43/415419743.db2.gz BRDCXZCROBIGOH-UHFFFAOYSA-N 1 2 305.378 0.476 10 0 DCAELO CN1CC[C@H]([NH+]2CCN(Cc3nccn3C(F)F)CC2)C1=O ZINC000081609924 415483618 /nfs/dbraw/zinc/48/36/18/415483618.db2.gz JFGAWAXAICOGND-NSHDSACASA-N 1 2 313.352 0.627 10 0 DCAELO COC[C@H]1CN(C(=O)NC[C@H]2C[N@H+](C)CCO2)CC(C)(C)O1 ZINC000332769872 415469558 /nfs/dbraw/zinc/46/95/58/415469558.db2.gz HLLUHKBBOZUXFA-QWHCGFSZSA-N 1 2 315.414 0.152 10 0 DCAELO COC[C@H]1CN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC(C)(C)O1 ZINC000332769872 415469563 /nfs/dbraw/zinc/46/95/63/415469563.db2.gz HLLUHKBBOZUXFA-QWHCGFSZSA-N 1 2 315.414 0.152 10 0 DCAELO CCc1ncc(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)cn1 ZINC000285823247 415618251 /nfs/dbraw/zinc/61/82/51/415618251.db2.gz FKJLIBOJYXGARF-QWHCGFSZSA-N 1 2 305.382 0.976 10 0 DCAELO CCc1ncc(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)cn1 ZINC000285823247 415618257 /nfs/dbraw/zinc/61/82/57/415618257.db2.gz FKJLIBOJYXGARF-QWHCGFSZSA-N 1 2 305.382 0.976 10 0 DCAELO CCC(=O)N[C@H]1CCCN(C(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000105279262 415628797 /nfs/dbraw/zinc/62/87/97/415628797.db2.gz ZJXQITHXQNMBBB-STQMWFEESA-N 1 2 312.414 0.017 10 0 DCAELO CCC(=O)N[C@H]1CCCN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000105279262 415628802 /nfs/dbraw/zinc/62/88/02/415628802.db2.gz ZJXQITHXQNMBBB-STQMWFEESA-N 1 2 312.414 0.017 10 0 DCAELO CN(C(=O)[C@H](Cc1ccccc1)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000106901598 415652150 /nfs/dbraw/zinc/65/21/50/415652150.db2.gz FRPNABMVOAPFTR-CABCVRRESA-N 1 2 324.446 0.805 10 0 DCAELO C[C@@H](C[NH+]1CCN(C)CC1)n1c(=O)[nH]c2ccccc2c1=O ZINC000106929531 415656236 /nfs/dbraw/zinc/65/62/36/415656236.db2.gz BMNBWZBWUNJPKC-LBPRGKRZSA-N 1 2 302.378 0.498 10 0 DCAELO O=C(NCCNc1cc(N2CCC[C@@H]2CO)nc[nH+]1)C1CC1 ZINC000112077268 415704699 /nfs/dbraw/zinc/70/46/99/415704699.db2.gz DDLHZZKPIOZSMX-GFCCVEGCSA-N 1 2 305.382 0.376 10 0 DCAELO O=C(NCCNc1cc(N2CCC[C@@H]2CO)[nH+]cn1)C1CC1 ZINC000112077268 415704709 /nfs/dbraw/zinc/70/47/09/415704709.db2.gz DDLHZZKPIOZSMX-GFCCVEGCSA-N 1 2 305.382 0.376 10 0 DCAELO CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)CC1 ZINC000333776516 415738921 /nfs/dbraw/zinc/73/89/21/415738921.db2.gz TZHJLOAPTZCFAH-MJBXVCDLSA-N 1 2 321.421 0.224 10 0 DCAELO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)C[C@@H]2CCCCO2)CC1 ZINC000123234571 415838010 /nfs/dbraw/zinc/83/80/10/415838010.db2.gz HAEOZTDRBBKJBZ-KBPBESRZSA-N 1 2 320.455 0.274 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)N[C@H](C)CCO)nc[nH+]1 ZINC000121025345 415789227 /nfs/dbraw/zinc/78/92/27/415789227.db2.gz NFVPKYWYIXNNGU-NEPJUHHUSA-N 1 2 322.413 0.557 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)N[C@H](C)CCO)[nH+]cn1 ZINC000121025345 415789232 /nfs/dbraw/zinc/78/92/32/415789232.db2.gz NFVPKYWYIXNNGU-NEPJUHHUSA-N 1 2 322.413 0.557 10 0 DCAELO CCn1cc[nH+]c1CN1C(=O)N[C@](CC)(c2cnn(C)c2)C1=O ZINC000126713649 415879665 /nfs/dbraw/zinc/87/96/65/415879665.db2.gz GCZNPCHRUHFARQ-OAHLLOKOSA-N 1 2 316.365 0.994 10 0 DCAELO C[C@H](NC(=O)C[NH+]1CCN(c2ccccn2)CC1)[C@@H]1CCCO1 ZINC000155031302 415993012 /nfs/dbraw/zinc/99/30/12/415993012.db2.gz LYLXOQMUEWNYHP-GJZGRUSLSA-N 1 2 318.421 0.887 10 0 DCAELO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)N1CCCC1=O ZINC000173591318 416062279 /nfs/dbraw/zinc/06/22/79/416062279.db2.gz CMILBYORGOVMGS-KGLIPLIRSA-N 1 2 309.410 0.367 10 0 DCAELO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)N1CCCC1=O ZINC000173591318 416062280 /nfs/dbraw/zinc/06/22/80/416062280.db2.gz CMILBYORGOVMGS-KGLIPLIRSA-N 1 2 309.410 0.367 10 0 DCAELO CCCNC(=O)CCNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173789886 416065163 /nfs/dbraw/zinc/06/51/63/416065163.db2.gz TXSORZHLXIWBHR-ZDUSSCGKSA-N 1 2 312.414 0.019 10 0 DCAELO Cc1noc(C)c1CCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173840057 416066220 /nfs/dbraw/zinc/06/62/20/416066220.db2.gz GMLVWQPHRVXCHG-CQSZACIVSA-N 1 2 322.409 0.950 10 0 DCAELO Cc1cnn(CCNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000173892508 416068003 /nfs/dbraw/zinc/06/80/03/416068003.db2.gz RDKPZSYOPMLKNK-AWEZNQCLSA-N 1 2 307.398 0.308 10 0 DCAELO O=C(CN1CC[C@H]([NH+]2CCOCC2)C1)NCc1cccs1 ZINC000173937699 416070910 /nfs/dbraw/zinc/07/09/10/416070910.db2.gz ULVFVUYMZZRIID-ZDUSSCGKSA-N 1 2 309.435 0.771 10 0 DCAELO COC(=O)Cn1ncc2c1nc[nH+]c2NC[C@H](O)C1CCCC1 ZINC000301302355 416080513 /nfs/dbraw/zinc/08/05/13/416080513.db2.gz VXLBCLMCQLWSCO-LBPRGKRZSA-N 1 2 319.365 0.962 10 0 DCAELO CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2cccnn2)CC1 ZINC000170649910 416027421 /nfs/dbraw/zinc/02/74/21/416027421.db2.gz LVCDXQCALBEZIR-LBPRGKRZSA-N 1 2 320.397 0.221 10 0 DCAELO C[C@@H](C(=O)N1CCCC1)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000174790292 416087541 /nfs/dbraw/zinc/08/75/41/416087541.db2.gz JEXVZDBAHCDGSZ-LSDHHAIUSA-N 1 2 322.453 0.284 10 0 DCAELO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN([C@@H]2CCCCNC2=O)CC1 ZINC000174790292 416087545 /nfs/dbraw/zinc/08/75/45/416087545.db2.gz JEXVZDBAHCDGSZ-LSDHHAIUSA-N 1 2 322.453 0.284 10 0 DCAELO CCc1nsc(N2CCC[N@@H+]([C@@H]3CC(=O)N(C)C3=O)CC2)n1 ZINC000174899478 416090513 /nfs/dbraw/zinc/09/05/13/416090513.db2.gz BUSFLHVDRVWSLB-SNVBAGLBSA-N 1 2 323.422 0.370 10 0 DCAELO CCc1nsc(N2CCC[N@H+]([C@@H]3CC(=O)N(C)C3=O)CC2)n1 ZINC000174899478 416090517 /nfs/dbraw/zinc/09/05/17/416090517.db2.gz BUSFLHVDRVWSLB-SNVBAGLBSA-N 1 2 323.422 0.370 10 0 DCAELO Cc1cc(C)n(-c2ccc(NC[C@H]3C[NH+]4CCN3CC4)nn2)n1 ZINC000301805565 416093206 /nfs/dbraw/zinc/09/32/06/416093206.db2.gz YFUQLWVOKCQIDP-AWEZNQCLSA-N 1 2 313.409 0.691 10 0 DCAELO Cc1cc(C)n(-c2ccc(NC[C@H]3CN4CC[NH+]3CC4)nn2)n1 ZINC000301805565 416093210 /nfs/dbraw/zinc/09/32/10/416093210.db2.gz YFUQLWVOKCQIDP-AWEZNQCLSA-N 1 2 313.409 0.691 10 0 DCAELO O=C1N[C@H](Cc2c[nH+]c[nH]2)C(=O)N1Cc1ccc2cc[nH]c2n1 ZINC000357605131 416104384 /nfs/dbraw/zinc/10/43/84/416104384.db2.gz VEJZEEVSLLSNTO-GFCCVEGCSA-N 1 2 310.317 0.949 10 0 DCAELO O=C1N[C@H](Cc2c[nH]c[nH+]2)C(=O)N1Cc1ccc2cc[nH]c2n1 ZINC000357605131 416104386 /nfs/dbraw/zinc/10/43/86/416104386.db2.gz VEJZEEVSLLSNTO-GFCCVEGCSA-N 1 2 310.317 0.949 10 0 DCAELO Cc1cc(NC[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2)nc[nH+]1 ZINC000328611640 416123484 /nfs/dbraw/zinc/12/34/84/416123484.db2.gz MDUIKXJHEBBWBP-XHDPSFHLSA-N 1 2 300.366 1.150 10 0 DCAELO CCN1CCN(C(=O)Nc2ccon2)C[C@H]1c1[nH+]ccn1C ZINC000328624357 416123704 /nfs/dbraw/zinc/12/37/04/416123704.db2.gz JTVYXDHGYCNXEN-NSHDSACASA-N 1 2 304.354 1.319 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc4n(n3)CCCO4)C[C@H]21 ZINC000328871411 416135265 /nfs/dbraw/zinc/13/52/65/416135265.db2.gz IJGWUARMUKIVII-CHWSQXEVSA-N 1 2 306.366 0.211 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc4n(n3)CCCO4)C[C@H]21 ZINC000328871411 416135271 /nfs/dbraw/zinc/13/52/71/416135271.db2.gz IJGWUARMUKIVII-CHWSQXEVSA-N 1 2 306.366 0.211 10 0 DCAELO CC(C)OCCS(=O)(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000176996001 416138249 /nfs/dbraw/zinc/13/82/49/416138249.db2.gz WSRRWTULHJAHDE-KGLIPLIRSA-N 1 2 320.455 0.394 10 0 DCAELO CCc1cc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)cc(=O)[nH]1 ZINC000328905139 416139552 /nfs/dbraw/zinc/13/95/52/416139552.db2.gz JWDKSDLEOOKJLN-KGLIPLIRSA-N 1 2 305.378 0.895 10 0 DCAELO CCc1cc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)cc(=O)[nH]1 ZINC000328905139 416139556 /nfs/dbraw/zinc/13/95/56/416139556.db2.gz JWDKSDLEOOKJLN-KGLIPLIRSA-N 1 2 305.378 0.895 10 0 DCAELO C[C@@H]1C[N@H+](Cc2nnc(C3CC3)n2C)C[C@@H]1N1CCOCC1 ZINC000177233605 416142364 /nfs/dbraw/zinc/14/23/64/416142364.db2.gz LARVBZPQZOAYLH-OCCSQVGLSA-N 1 2 305.426 0.845 10 0 DCAELO C[C@@H]1C[N@@H+](Cc2nnc(C3CC3)n2C)C[C@@H]1N1CCOCC1 ZINC000177233605 416142368 /nfs/dbraw/zinc/14/23/68/416142368.db2.gz LARVBZPQZOAYLH-OCCSQVGLSA-N 1 2 305.426 0.845 10 0 DCAELO Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCC[NH+]1CCOCC1 ZINC000177300079 416144929 /nfs/dbraw/zinc/14/49/29/416144929.db2.gz ULHRXTRIZWKOMM-LBPRGKRZSA-N 1 2 308.386 0.053 10 0 DCAELO CC[C@@H]1CN(C(=O)[C@H]2CCc3[nH]nnc3C2)CC[N@@H+]1CCOC ZINC000329053108 416146010 /nfs/dbraw/zinc/14/60/10/416146010.db2.gz XAGMXLGQMGGANF-QWHCGFSZSA-N 1 2 321.425 0.479 10 0 DCAELO CC[C@@H]1CN(C(=O)[C@H]2CCc3[nH]nnc3C2)CC[N@H+]1CCOC ZINC000329053108 416146014 /nfs/dbraw/zinc/14/60/14/416146014.db2.gz XAGMXLGQMGGANF-QWHCGFSZSA-N 1 2 321.425 0.479 10 0 DCAELO CC[C@@H]1CN(C(=O)[C@H]2CCc3nn[nH]c3C2)CC[N@@H+]1CCOC ZINC000329053108 416146015 /nfs/dbraw/zinc/14/60/15/416146015.db2.gz XAGMXLGQMGGANF-QWHCGFSZSA-N 1 2 321.425 0.479 10 0 DCAELO CC[C@@H]1CN(C(=O)[C@H]2CCc3nn[nH]c3C2)CC[N@H+]1CCOC ZINC000329053108 416146017 /nfs/dbraw/zinc/14/60/17/416146017.db2.gz XAGMXLGQMGGANF-QWHCGFSZSA-N 1 2 321.425 0.479 10 0 DCAELO CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCN3CCCC[C@@H]3C2)CC1 ZINC000177773906 416151127 /nfs/dbraw/zinc/15/11/27/416151127.db2.gz XEUIUNXNFUAOOZ-GDBMZVCRSA-N 1 2 322.453 0.236 10 0 DCAELO CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCN3CCCC[C@@H]3C2)CC1 ZINC000177773906 416151129 /nfs/dbraw/zinc/15/11/29/416151129.db2.gz XEUIUNXNFUAOOZ-GDBMZVCRSA-N 1 2 322.453 0.236 10 0 DCAELO O=C(NC[C@@H]1C[NH+]2CCN1CC2)C(=O)Nc1ccc(Cl)cc1 ZINC000178960675 416178859 /nfs/dbraw/zinc/17/88/59/416178859.db2.gz ZKWHTNCKOFYOMF-CYBMUJFWSA-N 1 2 322.796 0.395 10 0 DCAELO CCCS(=O)(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000179676138 416190258 /nfs/dbraw/zinc/19/02/58/416190258.db2.gz GFDOTAIJUIHOSF-AWEZNQCLSA-N 1 2 303.472 0.828 10 0 DCAELO C[C@@H](CNC(=O)Nc1nc2ccccn2n1)[NH+]1CCOCC1 ZINC000183048776 416233812 /nfs/dbraw/zinc/23/38/12/416233812.db2.gz ISWFRPUVXJJXFL-NSHDSACASA-N 1 2 304.354 0.572 10 0 DCAELO COc1c(C[N@@H+]2CCCN(S(C)(=O)=O)CC2)c(C)nn1C ZINC000179904148 416194257 /nfs/dbraw/zinc/19/42/57/416194257.db2.gz YJZRLGRWLAJSCU-UHFFFAOYSA-N 1 2 316.427 0.204 10 0 DCAELO COc1c(C[N@H+]2CCCN(S(C)(=O)=O)CC2)c(C)nn1C ZINC000179904148 416194260 /nfs/dbraw/zinc/19/42/60/416194260.db2.gz YJZRLGRWLAJSCU-UHFFFAOYSA-N 1 2 316.427 0.204 10 0 DCAELO Cc1ccc(OC2CC[NH+](Cc3nc(N)nc(N)n3)CC2)nc1 ZINC000181550666 416210296 /nfs/dbraw/zinc/21/02/96/416210296.db2.gz IOKWPLLDUSXQJG-UHFFFAOYSA-N 1 2 315.381 0.783 10 0 DCAELO COCc1noc(CN2CC[NH+]([C@@H]3CCCCNC3=O)CC2)n1 ZINC000182448301 416222653 /nfs/dbraw/zinc/22/26/53/416222653.db2.gz MURCUXZZESTFPS-GFCCVEGCSA-N 1 2 323.397 0.002 10 0 DCAELO COC(=O)c1coc(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)c1 ZINC000183544224 416245322 /nfs/dbraw/zinc/24/53/22/416245322.db2.gz QCJWAZMDAXJNJC-QWRGUYRKSA-N 1 2 310.350 0.905 10 0 DCAELO Cc1noc(COc2ccc(NC(=O)[C@H]3COCC[NH2+]3)cc2)n1 ZINC000237691508 416328616 /nfs/dbraw/zinc/32/86/16/416328616.db2.gz SEPSVLHFKFOWHR-CYBMUJFWSA-N 1 2 318.333 0.884 10 0 DCAELO CN(C(=O)C[N@@H+]1CCC[C@@](O)(c2cn[nH]n2)C1)C1CCCCC1 ZINC000583617945 416477936 /nfs/dbraw/zinc/47/79/36/416477936.db2.gz MLHVOMXTIBUMPF-INIZCTEOSA-N 1 2 321.425 0.879 10 0 DCAELO CN(C(=O)C[N@H+]1CCC[C@@](O)(c2cn[nH]n2)C1)C1CCCCC1 ZINC000583617945 416477943 /nfs/dbraw/zinc/47/79/43/416477943.db2.gz MLHVOMXTIBUMPF-INIZCTEOSA-N 1 2 321.425 0.879 10 0 DCAELO CN(C(=O)C[N@@H+]1CCC[C@@](O)(c2c[nH]nn2)C1)C1CCCCC1 ZINC000583617945 416477947 /nfs/dbraw/zinc/47/79/47/416477947.db2.gz MLHVOMXTIBUMPF-INIZCTEOSA-N 1 2 321.425 0.879 10 0 DCAELO CN(C(=O)C[N@H+]1CCC[C@@](O)(c2c[nH]nn2)C1)C1CCCCC1 ZINC000583617945 416477952 /nfs/dbraw/zinc/47/79/52/416477952.db2.gz MLHVOMXTIBUMPF-INIZCTEOSA-N 1 2 321.425 0.879 10 0 DCAELO CN(Cc1ccco1)C(=O)C[N@@H+]1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000583617988 416478505 /nfs/dbraw/zinc/47/85/05/416478505.db2.gz QSFZKBBHNXZQCD-HNNXBMFYSA-N 1 2 319.365 0.340 10 0 DCAELO CN(Cc1ccco1)C(=O)C[N@H+]1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000583617988 416478509 /nfs/dbraw/zinc/47/85/09/416478509.db2.gz QSFZKBBHNXZQCD-HNNXBMFYSA-N 1 2 319.365 0.340 10 0 DCAELO NC(=O)N[C@H]1CC[N@H+](CC(=O)NC2C3CC4CC(C3)CC2C4)C1 ZINC000534966054 416512043 /nfs/dbraw/zinc/51/20/43/416512043.db2.gz ZZVUQOLIWKTRAF-NUAPRZDKSA-N 1 2 320.437 0.670 10 0 DCAELO NC(=O)N[C@H]1CC[N@@H+](CC(=O)NC2C3CC4CC(C3)CC2C4)C1 ZINC000534966054 416512049 /nfs/dbraw/zinc/51/20/49/416512049.db2.gz ZZVUQOLIWKTRAF-NUAPRZDKSA-N 1 2 320.437 0.670 10 0 DCAELO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1ncn(C(C)(C)C)n1 ZINC000542437210 416623618 /nfs/dbraw/zinc/62/36/18/416623618.db2.gz QGINKOSRAMLRBH-LBPRGKRZSA-N 1 2 323.445 0.791 10 0 DCAELO CCCNC(=O)NC(=O)C[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000369542491 416792582 /nfs/dbraw/zinc/79/25/82/416792582.db2.gz UMXKLVJTCYULAQ-HNNXBMFYSA-N 1 2 313.398 0.492 10 0 DCAELO CCCNC(=O)NC(=O)C[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000369542491 416792590 /nfs/dbraw/zinc/79/25/90/416792590.db2.gz UMXKLVJTCYULAQ-HNNXBMFYSA-N 1 2 313.398 0.492 10 0 DCAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC000370121634 416886414 /nfs/dbraw/zinc/88/64/14/416886414.db2.gz LMGCUOXMRQLHLF-BBRMVZONSA-N 1 2 309.410 0.226 10 0 DCAELO CCCC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC000370121634 416886421 /nfs/dbraw/zinc/88/64/21/416886421.db2.gz LMGCUOXMRQLHLF-BBRMVZONSA-N 1 2 309.410 0.226 10 0 DCAELO c1cn(-c2cc(N3CCN(c4ncns4)CC3)ncn2)c[nH+]1 ZINC000624319186 417006679 /nfs/dbraw/zinc/00/66/79/417006679.db2.gz FFBFOVRHPSKAEH-UHFFFAOYSA-N 1 2 314.378 0.840 10 0 DCAELO Nc1nc(C2CC2)ncc1C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000376733293 417039002 /nfs/dbraw/zinc/03/90/02/417039002.db2.gz HWMYEQDOHSHJRC-GFCCVEGCSA-N 1 2 317.393 0.529 10 0 DCAELO Nc1nc(C2CC2)ncc1C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000376733293 417039010 /nfs/dbraw/zinc/03/90/10/417039010.db2.gz HWMYEQDOHSHJRC-GFCCVEGCSA-N 1 2 317.393 0.529 10 0 DCAELO CO[C@@H]1CCN(S(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)CC1(C)C ZINC000632410462 417070631 /nfs/dbraw/zinc/07/06/31/417070631.db2.gz FJCGLCACEQLPMR-QWHCGFSZSA-N 1 2 320.455 0.394 10 0 DCAELO CO[C@@H]1CCN(S(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)CC1(C)C ZINC000632410462 417070639 /nfs/dbraw/zinc/07/06/39/417070639.db2.gz FJCGLCACEQLPMR-QWHCGFSZSA-N 1 2 320.455 0.394 10 0 DCAELO O=C(c1nscc1Br)N1CC[NH+](CCO)CC1 ZINC000404803935 417120115 /nfs/dbraw/zinc/12/01/15/417120115.db2.gz LUNUGXVGPLERRJ-UHFFFAOYSA-N 1 2 320.212 0.656 10 0 DCAELO c1ccc2c(c1)OC[C@H](C[NH+]1CCN(c3nccnn3)CC1)O2 ZINC000625637169 417150384 /nfs/dbraw/zinc/15/03/84/417150384.db2.gz IZKYDUYFNWFIFV-ZDUSSCGKSA-N 1 2 313.361 0.834 10 0 DCAELO CCOC(=O)[C@@H]1C[N@H+](Cc2oncc2C(=O)OC)CC12COC2 ZINC000451138579 417305301 /nfs/dbraw/zinc/30/53/01/417305301.db2.gz QNYBGPFWRVGPHE-NSHDSACASA-N 1 2 324.333 0.473 10 0 DCAELO CCOC(=O)[C@@H]1C[N@@H+](Cc2oncc2C(=O)OC)CC12COC2 ZINC000451138579 417305307 /nfs/dbraw/zinc/30/53/07/417305307.db2.gz QNYBGPFWRVGPHE-NSHDSACASA-N 1 2 324.333 0.473 10 0 DCAELO CC[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2ccccc2O)C1 ZINC000166175324 545878196 /nfs/dbraw/zinc/87/81/96/545878196.db2.gz WPYYRUFAAWIGNI-NSHDSACASA-N 1 2 300.380 0.391 10 0 DCAELO CC[N@H+]1CCO[C@@H](CNS(=O)(=O)c2ccccc2O)C1 ZINC000166175324 545878204 /nfs/dbraw/zinc/87/82/04/545878204.db2.gz WPYYRUFAAWIGNI-NSHDSACASA-N 1 2 300.380 0.391 10 0 DCAELO CC(C)OC(=O)[C@H](C)[N@H+](C)C[C@H](O)COC[C@H]1CCCO1 ZINC000531842649 417645088 /nfs/dbraw/zinc/64/50/88/417645088.db2.gz VVXSBBLZOOCJCJ-MELADBBJSA-N 1 2 303.399 0.815 10 0 DCAELO CC(C)OC(=O)[C@H](C)[N@@H+](C)C[C@H](O)COC[C@H]1CCCO1 ZINC000531842649 417645092 /nfs/dbraw/zinc/64/50/92/417645092.db2.gz VVXSBBLZOOCJCJ-MELADBBJSA-N 1 2 303.399 0.815 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)NCCCOCC3CC3)C[C@@H]21 ZINC000580474180 417705634 /nfs/dbraw/zinc/70/56/34/417705634.db2.gz SCIDISFZIKSNOG-GJZGRUSLSA-N 1 2 311.426 0.918 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)NCCCOCC3CC3)C[C@@H]21 ZINC000580474180 417705640 /nfs/dbraw/zinc/70/56/40/417705640.db2.gz SCIDISFZIKSNOG-GJZGRUSLSA-N 1 2 311.426 0.918 10 0 DCAELO CCn1nccc1CC[N@@H+]1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000299741820 229378024 /nfs/dbraw/zinc/37/80/24/229378024.db2.gz GJTWRRXSKLHVRF-HIFRSBDPSA-N 1 2 324.400 0.717 10 0 DCAELO CCn1nccc1CC[N@H+]1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000299741820 229378028 /nfs/dbraw/zinc/37/80/28/229378028.db2.gz GJTWRRXSKLHVRF-HIFRSBDPSA-N 1 2 324.400 0.717 10 0 DCAELO Cc1ccccc1C[C@H](CO)NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000188045193 261126060 /nfs/dbraw/zinc/12/60/60/261126060.db2.gz HMPUMYXIMNQXIO-HZPDHXFCSA-N 1 2 321.421 0.528 10 0 DCAELO Cc1ccccc1C[C@H](CO)NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000188045193 261126061 /nfs/dbraw/zinc/12/60/61/261126061.db2.gz HMPUMYXIMNQXIO-HZPDHXFCSA-N 1 2 321.421 0.528 10 0 DCAELO C[C@@H]1CN(C(=O)NCc2ccc[nH+]c2N(C)C)C[C@H](CO)O1 ZINC000188615825 261129831 /nfs/dbraw/zinc/12/98/31/261129831.db2.gz GAGKTYQPGDCTQA-DGCLKSJQSA-N 1 2 308.382 0.439 10 0 DCAELO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+]([C@H]2CCN(C(C)C)C2=O)C1 ZINC000370865399 262155150 /nfs/dbraw/zinc/15/51/50/262155150.db2.gz RZKKABHJIILGIB-OLZOCXBDSA-N 1 2 317.455 0.398 10 0 DCAELO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+]([C@H]2CCN(C(C)C)C2=O)C1 ZINC000370865399 262155153 /nfs/dbraw/zinc/15/51/53/262155153.db2.gz RZKKABHJIILGIB-OLZOCXBDSA-N 1 2 317.455 0.398 10 0 DCAELO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](S(C)(=O)=O)C1 ZINC000359613163 271132385 /nfs/dbraw/zinc/13/23/85/271132385.db2.gz ZCJYLHIIVKSGCW-OLZOCXBDSA-N 1 2 302.440 0.896 10 0 DCAELO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](S(C)(=O)=O)C1 ZINC000359613163 271132391 /nfs/dbraw/zinc/13/23/91/271132391.db2.gz ZCJYLHIIVKSGCW-OLZOCXBDSA-N 1 2 302.440 0.896 10 0 DCAELO CCO[C@@H]1C[C@]([NH2+]CCC(=O)N(C)C)(C(=O)OC)C1(C)C ZINC000444762170 271743643 /nfs/dbraw/zinc/74/36/43/271743643.db2.gz YTOUJWXAWQDNQX-ABAIWWIYSA-N 1 2 300.399 0.801 10 0 DCAELO COCC[NH+]1CCN(C(=O)C(=O)N(C)C[C@@H]2CC=CCC2)CC1 ZINC000459891203 272016828 /nfs/dbraw/zinc/01/68/28/272016828.db2.gz ZVIXBQJDZFCALJ-OAHLLOKOSA-N 1 2 323.437 0.592 10 0 DCAELO CC1=CC[N@H+](CCNC(=O)N2CCS(=O)(=O)C[C@H]2C)CC1 ZINC000525969878 272585026 /nfs/dbraw/zinc/58/50/26/272585026.db2.gz LVSUSFJEWXZTDR-CYBMUJFWSA-N 1 2 315.439 0.467 10 0 DCAELO CC1=CC[N@@H+](CCNC(=O)N2CCS(=O)(=O)C[C@H]2C)CC1 ZINC000525969878 272585027 /nfs/dbraw/zinc/58/50/27/272585027.db2.gz LVSUSFJEWXZTDR-CYBMUJFWSA-N 1 2 315.439 0.467 10 0 DCAELO CC(=O)N1CCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000329739281 278023898 /nfs/dbraw/zinc/02/38/98/278023898.db2.gz UTNRIQNEXOYBJG-YUELXQCFSA-N 1 2 309.410 0.319 10 0 DCAELO CC(=O)NC1(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)CCCCC1 ZINC000152408169 278081934 /nfs/dbraw/zinc/08/19/34/278081934.db2.gz KJCMMTFPKRDBNS-KGLIPLIRSA-N 1 2 309.410 0.367 10 0 DCAELO CC(=O)NC1(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)CCCCC1 ZINC000152408169 278081935 /nfs/dbraw/zinc/08/19/35/278081935.db2.gz KJCMMTFPKRDBNS-KGLIPLIRSA-N 1 2 309.410 0.367 10 0 DCAELO 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C[C@@H]1CCN(C(=O)C[NH+]2C[C@@H](O)[C@H](O)C2)c2ccccc2S1 ZINC000368439218 524449182 /nfs/dbraw/zinc/44/91/82/524449182.db2.gz RYHWREQCOMRACS-MRVWCRGKSA-N 1 2 322.430 0.941 10 0 DCAELO C[C@H]1CN(C(=O)c2nccn3ccnc23)C[C@H]1[NH+]1CCOCC1 ZINC000266130657 524552112 /nfs/dbraw/zinc/55/21/12/524552112.db2.gz DDZMLFQWINTNPB-QWHCGFSZSA-N 1 2 315.377 0.522 10 0 DCAELO CC(=O)N1CC[NH+](CCNc2nccnc2OC(C)C)CC1 ZINC000302006188 526628104 /nfs/dbraw/zinc/62/81/04/526628104.db2.gz ABCLMZKRMOZYDE-UHFFFAOYSA-N 1 2 307.398 0.840 10 0 DCAELO CC(C)C[C@H](C)OCCC(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000133112608 545797528 /nfs/dbraw/zinc/79/75/28/545797528.db2.gz AQCCOMMBGJVKDS-LSDHHAIUSA-N 1 2 316.442 0.637 10 0 DCAELO CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000252979573 545975627 /nfs/dbraw/zinc/97/56/27/545975627.db2.gz ILRFXXHONHHAFD-GHMZBOCLSA-N 1 2 314.411 0.791 10 0 DCAELO COCCN1CC[N@H+](C[C@@H]2CCO[C@H]2c2nccn2C)CC1=O ZINC000667951738 546673403 /nfs/dbraw/zinc/67/34/03/546673403.db2.gz 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/nfs/dbraw/zinc/45/91/16/529459116.db2.gz JJTXGDPCLXHXEQ-DMZKTXOQSA-N 1 2 324.446 0.953 10 0 DCAELO CC[S@](=O)c1ccccc1C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000188736254 529459119 /nfs/dbraw/zinc/45/91/19/529459119.db2.gz JJTXGDPCLXHXEQ-DMZKTXOQSA-N 1 2 324.446 0.953 10 0 DCAELO CNC(=O)[C@H]1CCCN1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000179271996 529923583 /nfs/dbraw/zinc/92/35/83/529923583.db2.gz CVYXXNYAOGJDCU-GFCCVEGCSA-N 1 2 312.414 0.017 10 0 DCAELO CNC(=O)[C@H]1CCCN1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000179271996 529923584 /nfs/dbraw/zinc/92/35/84/529923584.db2.gz CVYXXNYAOGJDCU-GFCCVEGCSA-N 1 2 312.414 0.017 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@H](c3ncc[nH]3)C2)C1 ZINC000264251072 186327415 /nfs/dbraw/zinc/32/74/15/186327415.db2.gz BMIQIYHJOYKMIO-QWHCGFSZSA-N 1 2 307.398 0.629 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@H](c3ncc[nH]3)C2)C1 ZINC000264251072 186327417 /nfs/dbraw/zinc/32/74/17/186327417.db2.gz BMIQIYHJOYKMIO-QWHCGFSZSA-N 1 2 307.398 0.629 10 0 DCAELO C[C@H]([C@H](C)NC(=O)CNC(=O)c1ccccn1)[NH+]1CCOCC1 ZINC000172541595 198112418 /nfs/dbraw/zinc/11/24/18/198112418.db2.gz KCCUMGDHIUNHPL-QWHCGFSZSA-N 1 2 320.393 0.037 10 0 DCAELO NC(=O)NC(=O)C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117351460 303269922 /nfs/dbraw/zinc/26/99/22/303269922.db2.gz QHEGCFMUCPYEJT-UHFFFAOYSA-N 1 2 307.194 0.998 10 0 DCAELO NC(=O)NC(=O)C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117351460 303269924 /nfs/dbraw/zinc/26/99/24/303269924.db2.gz QHEGCFMUCPYEJT-UHFFFAOYSA-N 1 2 307.194 0.998 10 0 DCAELO CN1CC[C@@H](C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CC1=O ZINC000110954322 283038985 /nfs/dbraw/zinc/03/89/85/283038985.db2.gz GLXOBMULANSMHE-HUUCEWRRSA-N 1 2 323.437 0.568 10 0 DCAELO Cc1ccc2oc(C(=O)NC[C@H](O)C[NH+]3CCOCC3)cc2n1 ZINC000179475623 199042373 /nfs/dbraw/zinc/04/23/73/199042373.db2.gz ANXWYPHJULGEHK-LBPRGKRZSA-N 1 2 319.361 0.559 10 0 DCAELO COC(=O)C[C@H](C)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000132369785 291137947 /nfs/dbraw/zinc/13/79/47/291137947.db2.gz ICMMWNWXZOFKLK-UONOGXRCSA-N 1 2 312.410 0.899 10 0 DCAELO Cc1ccc(C[NH+]2CCN(CCS(N)(=O)=O)CC2)c(C)n1 ZINC000187273436 200086709 /nfs/dbraw/zinc/08/67/09/200086709.db2.gz WCKBBHYVTZHNOB-UHFFFAOYSA-N 1 2 312.439 0.105 10 0 DCAELO O=C(C[NH+]1CCN(c2ccccn2)CC1)NCC1(CCO)CC1 ZINC000188051465 237364756 /nfs/dbraw/zinc/36/47/56/237364756.db2.gz SKJJZOHSBIMHPW-UHFFFAOYSA-N 1 2 318.421 0.482 10 0 DCAELO CC(C)CCn1cc(C(=O)N2CC[N@H+](CCO)[C@H](C)C2)nn1 ZINC000188729156 200295785 /nfs/dbraw/zinc/29/57/85/200295785.db2.gz OSCNIVXYCLSLFO-CYBMUJFWSA-N 1 2 309.414 0.463 10 0 DCAELO CC(C)CCn1cc(C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)nn1 ZINC000188729156 200295787 /nfs/dbraw/zinc/29/57/87/200295787.db2.gz OSCNIVXYCLSLFO-CYBMUJFWSA-N 1 2 309.414 0.463 10 0 DCAELO O[C@@H](Cn1nnnc1/C=C/c1ccccc1)C[NH+]1CCOCC1 ZINC000164173170 291247715 /nfs/dbraw/zinc/24/77/15/291247715.db2.gz RZRNFCVRJABSEF-LQYUOIDQSA-N 1 2 315.377 0.537 10 0 DCAELO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cn(C)nc1[C@H]1CCOC1 ZINC000275505210 212380060 /nfs/dbraw/zinc/38/00/60/212380060.db2.gz KQUZTJCPVXOSQF-STQMWFEESA-N 1 2 322.409 0.375 10 0 DCAELO C[C@@H](CNC(=O)c1cn(C)nc1[C@H]1CCOC1)[NH+]1CCOCC1 ZINC000275255896 212227515 /nfs/dbraw/zinc/22/75/15/212227515.db2.gz HDFIJKKJLIIJAY-STQMWFEESA-N 1 2 322.409 0.375 10 0 DCAELO CCCc1cc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)n(C)n1 ZINC000093201851 193215636 /nfs/dbraw/zinc/21/56/36/193215636.db2.gz OUMQBWRRBDZCTQ-UHFFFAOYSA-N 1 2 319.409 0.618 10 0 DCAELO CC(=O)c1ccc(CC(=O)N[C@@H](CO)C[NH+]2CCOCC2)cc1 ZINC000351485309 254338421 /nfs/dbraw/zinc/33/84/21/254338421.db2.gz YNWRGHYXMMLJED-MRXNPFEDSA-N 1 2 320.389 0.241 10 0 DCAELO O=C([C@@H]1CCCO1)N1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC000247800491 257117211 /nfs/dbraw/zinc/11/72/11/257117211.db2.gz VGMRSRCOMXOTLO-AWEZNQCLSA-N 1 2 315.377 0.692 10 0 DCAELO Cn1ncc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)c1C1CC1 ZINC000284495592 131086123 /nfs/dbraw/zinc/08/61/23/131086123.db2.gz NELRGFGYHUALTD-KBPBESRZSA-N 1 2 304.394 0.843 10 0 DCAELO Cn1ncc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1C1CC1 ZINC000284495592 131086124 /nfs/dbraw/zinc/08/61/24/131086124.db2.gz NELRGFGYHUALTD-KBPBESRZSA-N 1 2 304.394 0.843 10 0 DCAELO CN(C)C(=O)COC[C@H]1C[N@H+](Cc2cncnc2)CC(C)(C)O1 ZINC000284504169 131087445 /nfs/dbraw/zinc/08/74/45/131087445.db2.gz INDVJLLUDLLDLQ-CQSZACIVSA-N 1 2 322.409 0.561 10 0 DCAELO CN(C)C(=O)COC[C@H]1C[N@@H+](Cc2cncnc2)CC(C)(C)O1 ZINC000284504169 131087446 /nfs/dbraw/zinc/08/74/46/131087446.db2.gz INDVJLLUDLLDLQ-CQSZACIVSA-N 1 2 322.409 0.561 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3nccn4ccnc34)C[C@H]21 ZINC000284528818 131089865 /nfs/dbraw/zinc/08/98/65/131089865.db2.gz CIIBXGQHPYMAHN-NEPJUHHUSA-N 1 2 301.350 0.274 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)c3nccn4ccnc34)C[C@H]21 ZINC000284528818 131089866 /nfs/dbraw/zinc/08/98/66/131089866.db2.gz CIIBXGQHPYMAHN-NEPJUHHUSA-N 1 2 301.350 0.274 10 0 DCAELO CCc1nn(C)cc1NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000284851177 131116322 /nfs/dbraw/zinc/11/63/22/131116322.db2.gz QJBQGEMJNUCEOV-UONOGXRCSA-N 1 2 307.398 0.919 10 0 DCAELO CCc1nn(C)cc1NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000284851177 131116324 /nfs/dbraw/zinc/11/63/24/131116324.db2.gz QJBQGEMJNUCEOV-UONOGXRCSA-N 1 2 307.398 0.919 10 0 DCAELO COc1ccnc(N2CC[NH+](CC(=O)NC(C)(C)C)CC2)n1 ZINC000015116131 134522604 /nfs/dbraw/zinc/52/26/04/134522604.db2.gz RZIWTMSVPFSZDK-UHFFFAOYSA-N 1 2 307.398 0.522 10 0 DCAELO C[N@@H+]1C[C@@H](NC(=O)C2CC2)C[C@H]1c1nc(-c2cnccn2)no1 ZINC000012529696 395687803 /nfs/dbraw/zinc/68/78/03/395687803.db2.gz GTVHJXHWYVZAKZ-JQWIXIFHSA-N 1 2 314.349 0.798 10 0 DCAELO C[N@H+]1C[C@@H](NC(=O)C2CC2)C[C@H]1c1nc(-c2cnccn2)no1 ZINC000012529696 395687804 /nfs/dbraw/zinc/68/78/04/395687804.db2.gz GTVHJXHWYVZAKZ-JQWIXIFHSA-N 1 2 314.349 0.798 10 0 DCAELO CC(C)N1CCO[C@@H](C[NH+]2CCN(Cc3nncn3C)CC2)C1 ZINC000105846185 395780910 /nfs/dbraw/zinc/78/09/10/395780910.db2.gz YQYRGTQRLLPDRV-HNNXBMFYSA-N 1 2 322.457 0.042 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2cnn(Cc3ccccc3)c2)C1 ZINC000194626746 395802607 /nfs/dbraw/zinc/80/26/07/395802607.db2.gz RQXCZRUICRMBQJ-INIZCTEOSA-N 1 2 314.389 0.992 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)c2cnn(Cc3ccccc3)c2)C1 ZINC000194626746 395802611 /nfs/dbraw/zinc/80/26/11/395802611.db2.gz RQXCZRUICRMBQJ-INIZCTEOSA-N 1 2 314.389 0.992 10 0 DCAELO Cc1nn(C)c(C)c1C[NH+]1CCN([C@@H]2CCN(C)C2=O)CC1 ZINC000116278248 395843298 /nfs/dbraw/zinc/84/32/98/395843298.db2.gz FLMCANQKJWVFJL-OAHLLOKOSA-N 1 2 305.426 0.385 10 0 DCAELO Cc1nn(C)c(C)c1CN1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000116278248 395843299 /nfs/dbraw/zinc/84/32/99/395843299.db2.gz FLMCANQKJWVFJL-OAHLLOKOSA-N 1 2 305.426 0.385 10 0 DCAELO Cn1cc([C@@H]2CCN(C(=O)NCC[NH+]3CCOCC3)C2)cn1 ZINC000116416236 395843685 /nfs/dbraw/zinc/84/36/85/395843685.db2.gz PLBGRDMGLVXJGU-CYBMUJFWSA-N 1 2 307.398 0.251 10 0 DCAELO C[C@H](CNC(=O)N1CC[C@@H](c2cnn(C)c2)C1)[NH+]1CCOCC1 ZINC000116418331 395843807 /nfs/dbraw/zinc/84/38/07/395843807.db2.gz JPFPHKMQJVPMLW-ZIAGYGMSSA-N 1 2 321.425 0.640 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)CCOc2cccc(C=O)c2)C1 ZINC000109264585 395797429 /nfs/dbraw/zinc/79/74/29/395797429.db2.gz PXDQYKKVLOUFKI-HNNXBMFYSA-N 1 2 306.362 0.715 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)CCOc2cccc(C=O)c2)C1 ZINC000109264585 395797430 /nfs/dbraw/zinc/79/74/30/395797430.db2.gz PXDQYKKVLOUFKI-HNNXBMFYSA-N 1 2 306.362 0.715 10 0 DCAELO CC[S@](=O)c1ccccc1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000194615599 395801695 /nfs/dbraw/zinc/80/16/95/395801695.db2.gz CJIMGCZDBSLQDU-QKVFXAPYSA-N 1 2 310.419 0.875 10 0 DCAELO CC[S@](=O)c1ccccc1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000194615599 395801698 /nfs/dbraw/zinc/80/16/98/395801698.db2.gz CJIMGCZDBSLQDU-QKVFXAPYSA-N 1 2 310.419 0.875 10 0 DCAELO Cc1cc(C)n2nc(C(=O)N3CC[NH+](C4CC4)CC3)nc2n1 ZINC000124847920 395901362 /nfs/dbraw/zinc/90/13/62/395901362.db2.gz QIXQHVYAIAYHIW-UHFFFAOYSA-N 1 2 300.366 0.661 10 0 DCAELO CCOCCCNC(=O)[C@H](C)[N@H+](C)CC(=O)NC(C)(C)C ZINC000127059696 395914527 /nfs/dbraw/zinc/91/45/27/395914527.db2.gz KYQHUXMOXVZXFL-LBPRGKRZSA-N 1 2 301.431 0.764 10 0 DCAELO CCOCCCNC(=O)[C@H](C)[N@@H+](C)CC(=O)NC(C)(C)C ZINC000127059696 395914529 /nfs/dbraw/zinc/91/45/29/395914529.db2.gz KYQHUXMOXVZXFL-LBPRGKRZSA-N 1 2 301.431 0.764 10 0 DCAELO Cc1cccc([C@H](O)CNC(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000119624536 395873227 /nfs/dbraw/zinc/87/32/27/395873227.db2.gz OCGULNUQYFDWGA-LSDHHAIUSA-N 1 2 307.394 0.658 10 0 DCAELO Cc1cccc([C@H](O)CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000119624536 395873230 /nfs/dbraw/zinc/87/32/30/395873230.db2.gz OCGULNUQYFDWGA-LSDHHAIUSA-N 1 2 307.394 0.658 10 0 DCAELO CC(=O)N1CC[NH+](CCNC(=O)c2ccc(C)nc2C)CC1 ZINC000053080013 395876421 /nfs/dbraw/zinc/87/64/21/395876421.db2.gz LFSJBBNVPQQWDG-UHFFFAOYSA-N 1 2 304.394 0.592 10 0 DCAELO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC(=O)NCc1cccnc1 ZINC000248859937 395998730 /nfs/dbraw/zinc/99/87/30/395998730.db2.gz RXSFSLLTNZOVFM-DZKIICNBSA-N 1 2 317.389 0.971 10 0 DCAELO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CC(=O)NCc1cccnc1 ZINC000248859937 395998732 /nfs/dbraw/zinc/99/87/32/395998732.db2.gz RXSFSLLTNZOVFM-DZKIICNBSA-N 1 2 317.389 0.971 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2cccs2)C[C@@H]1C ZINC000246100885 395941404 /nfs/dbraw/zinc/94/14/04/395941404.db2.gz MEDBJLVUWSWRLY-QWRGUYRKSA-N 1 2 304.437 0.824 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2cccs2)C[C@@H]1C ZINC000246100885 395941407 /nfs/dbraw/zinc/94/14/07/395941407.db2.gz MEDBJLVUWSWRLY-QWRGUYRKSA-N 1 2 304.437 0.824 10 0 DCAELO C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000246590113 395953427 /nfs/dbraw/zinc/95/34/27/395953427.db2.gz SZJYRHJAUSUSGC-BZPMIXESSA-N 1 2 311.426 0.741 10 0 DCAELO C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000246590113 395953428 /nfs/dbraw/zinc/95/34/28/395953428.db2.gz SZJYRHJAUSUSGC-BZPMIXESSA-N 1 2 311.426 0.741 10 0 DCAELO CCCCN(C)S(=O)(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000246622165 395954141 /nfs/dbraw/zinc/95/41/41/395954141.db2.gz XYWADNSAUMDYLF-KGLIPLIRSA-N 1 2 319.471 0.616 10 0 DCAELO Cn1cc(N2CC[C@H]([N@@H+]3CCO[C@@]4(CCOC4)C3)C2=O)cn1 ZINC000248921766 396000344 /nfs/dbraw/zinc/00/03/44/396000344.db2.gz FGCFMWQPOJWDSO-ZFWWWQNUSA-N 1 2 306.366 0.017 10 0 DCAELO Cn1cc(N2CC[C@H]([N@H+]3CCO[C@@]4(CCOC4)C3)C2=O)cn1 ZINC000248921766 396000345 /nfs/dbraw/zinc/00/03/45/396000345.db2.gz FGCFMWQPOJWDSO-ZFWWWQNUSA-N 1 2 306.366 0.017 10 0 DCAELO CCOCC[N@@H+]1CCN(S(=O)(=O)c2cccnc2)C[C@H]1C ZINC000247254909 395970394 /nfs/dbraw/zinc/97/03/94/395970394.db2.gz XYSZHTAOACCWCX-CYBMUJFWSA-N 1 2 313.423 0.813 10 0 DCAELO CCOCC[N@H+]1CCN(S(=O)(=O)c2cccnc2)C[C@H]1C ZINC000247254909 395970397 /nfs/dbraw/zinc/97/03/97/395970397.db2.gz XYSZHTAOACCWCX-CYBMUJFWSA-N 1 2 313.423 0.813 10 0 DCAELO O=C(C[N@@H+]1CCO[C@@H]2CCCC[C@H]21)N1CCC2(CC1)OCCO2 ZINC000063567778 395979353 /nfs/dbraw/zinc/97/93/53/395979353.db2.gz GQGBOYHFENWZRO-HUUCEWRRSA-N 1 2 324.421 0.995 10 0 DCAELO O=C(C[N@H+]1CCO[C@@H]2CCCC[C@H]21)N1CCC2(CC1)OCCO2 ZINC000063567778 395979357 /nfs/dbraw/zinc/97/93/57/395979357.db2.gz GQGBOYHFENWZRO-HUUCEWRRSA-N 1 2 324.421 0.995 10 0 DCAELO CC(C)CCn1cc(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)nn1 ZINC000151988906 395997225 /nfs/dbraw/zinc/99/72/25/395997225.db2.gz BEPLDTKVUDYRGE-CQSZACIVSA-N 1 2 321.425 0.917 10 0 DCAELO CC(C)CCn1cc(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)nn1 ZINC000151988906 395997231 /nfs/dbraw/zinc/99/72/31/395997231.db2.gz BEPLDTKVUDYRGE-CQSZACIVSA-N 1 2 321.425 0.917 10 0 DCAELO O=C(CSc1ccccc1)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000154142216 396033118 /nfs/dbraw/zinc/03/31/18/396033118.db2.gz DMHYMFDVQWECRL-CYBMUJFWSA-N 1 2 310.419 0.588 10 0 DCAELO CC[NH+](CC)[C@H](C)CNC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000068080029 396044519 /nfs/dbraw/zinc/04/45/19/396044519.db2.gz DZPDBSXYGCOQSV-SECBINFHSA-N 1 2 319.365 0.484 10 0 DCAELO CCOC(=O)[C@H](CC[NH+]1CCOCC1)NC(=O)N(C)C(C)C ZINC000167357771 396089851 /nfs/dbraw/zinc/08/98/51/396089851.db2.gz UXFMAMCNNREADS-ZDUSSCGKSA-N 1 2 315.414 0.690 10 0 DCAELO CN(C)C(=O)c1ccc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000170850863 396098523 /nfs/dbraw/zinc/09/85/23/396098523.db2.gz SXGIGBCPKOSQBT-CQSZACIVSA-N 1 2 305.378 0.449 10 0 DCAELO CN(C)C(=O)c1ccc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000170850863 396098526 /nfs/dbraw/zinc/09/85/26/396098526.db2.gz SXGIGBCPKOSQBT-CQSZACIVSA-N 1 2 305.378 0.449 10 0 DCAELO COc1ccc(CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1F ZINC000170921281 396101737 /nfs/dbraw/zinc/10/17/37/396101737.db2.gz PHJNDVJFNMMOQO-GFCCVEGCSA-N 1 2 311.357 0.964 10 0 DCAELO COc1ccc(CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1F ZINC000170921281 396101738 /nfs/dbraw/zinc/10/17/38/396101738.db2.gz PHJNDVJFNMMOQO-GFCCVEGCSA-N 1 2 311.357 0.964 10 0 DCAELO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2cccnn2)CC1 ZINC000171350845 396114170 /nfs/dbraw/zinc/11/41/70/396114170.db2.gz RIAUUDQALNNZDS-CQSZACIVSA-N 1 2 303.410 1.000 10 0 DCAELO CC(=O)NC[C@@H]1C[N@H+](C[C@H](O)COc2ccc(C)cc2)CCO1 ZINC000172185038 396129642 /nfs/dbraw/zinc/12/96/42/396129642.db2.gz HPFOFWMEWJCUDE-DOTOQJQBSA-N 1 2 322.405 0.572 10 0 DCAELO CC(=O)NC[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(C)cc2)CCO1 ZINC000172185038 396129646 /nfs/dbraw/zinc/12/96/46/396129646.db2.gz HPFOFWMEWJCUDE-DOTOQJQBSA-N 1 2 322.405 0.572 10 0 DCAELO CC[C@H]1CN(C(=O)CCCS(C)(=O)=O)CC[N@@H+]1C[C@@H](C)O ZINC000174625077 396138512 /nfs/dbraw/zinc/13/85/12/396138512.db2.gz RPPTVEOFTVDXOS-OLZOCXBDSA-N 1 2 320.455 0.115 10 0 DCAELO CC[C@H]1CN(C(=O)CCCS(C)(=O)=O)CC[N@H+]1C[C@@H](C)O ZINC000174625077 396138514 /nfs/dbraw/zinc/13/85/14/396138514.db2.gz RPPTVEOFTVDXOS-OLZOCXBDSA-N 1 2 320.455 0.115 10 0 DCAELO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CCc1ccccc1O ZINC000176569211 396157345 /nfs/dbraw/zinc/15/73/45/396157345.db2.gz HSQRFXZXVYJAGN-OAHLLOKOSA-N 1 2 322.405 0.476 10 0 DCAELO O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263285498 396210863 /nfs/dbraw/zinc/21/08/63/396210863.db2.gz UZCXCUPYGSAVMU-NKWVEPMBSA-N 1 2 315.242 0.263 10 0 DCAELO O=C(N[C@H]1CCc2ncnn2C1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000177536610 396177831 /nfs/dbraw/zinc/17/78/31/396177831.db2.gz RJDSYVCPBTULNW-STQMWFEESA-N 1 2 315.381 0.664 10 0 DCAELO CN(CCCn1cc[nH+]c1)C(=O)CNC(=O)c1ccccn1 ZINC000178084304 396188402 /nfs/dbraw/zinc/18/84/02/396188402.db2.gz CFVSUIYBHKNVPH-UHFFFAOYSA-N 1 2 301.350 0.557 10 0 DCAELO CC(C)C(=O)NC1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263052536 396200039 /nfs/dbraw/zinc/20/00/39/396200039.db2.gz UQEVHJYVLIORGS-LLVKDONJSA-N 1 2 303.353 0.747 10 0 DCAELO COC(=O)CCCS(=O)(=O)NCc1[nH+]ccn1CC(C)C ZINC000182413566 396250816 /nfs/dbraw/zinc/25/08/16/396250816.db2.gz VQPFKVMGISDBTE-UHFFFAOYSA-N 1 2 317.411 0.912 10 0 DCAELO CC(C)CC(=O)N[C@H](C(=O)N1CC[NH+](CCO)CC1)C(C)C ZINC000079833550 396270805 /nfs/dbraw/zinc/27/08/05/396270805.db2.gz LCRGTSKULOTVDA-HNNXBMFYSA-N 1 2 313.442 0.310 10 0 DCAELO C[C@](O)(CNC(=O)c1cc(F)ccc1O)C[NH+]1CCOCC1 ZINC000080035502 396274504 /nfs/dbraw/zinc/27/45/04/396274504.db2.gz JYXOXQVQUABFHM-HNNXBMFYSA-N 1 2 312.341 0.344 10 0 DCAELO C[C@H]1CCCN1S(=O)(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000185001192 396313528 /nfs/dbraw/zinc/31/35/28/396313528.db2.gz RWMDTJNCUXVRGQ-WCQYABFASA-N 1 2 303.428 0.168 10 0 DCAELO C[C@H]1CCCN1S(=O)(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000185001192 396313532 /nfs/dbraw/zinc/31/35/32/396313532.db2.gz RWMDTJNCUXVRGQ-WCQYABFASA-N 1 2 303.428 0.168 10 0 DCAELO Cc1cnc([C@@H](C)[NH2+]CC(=O)N2CCC[C@H](C(N)=O)C2)s1 ZINC000185008445 396314143 /nfs/dbraw/zinc/31/41/43/396314143.db2.gz KXXILQQOECENCN-MNOVXSKESA-N 1 2 310.423 0.826 10 0 DCAELO COCCn1c(C)cc(C(=O)C[N@@H+]2C[C@@H](O)C[C@@H]2CO)c1C ZINC000184729616 396303211 /nfs/dbraw/zinc/30/32/11/396303211.db2.gz ZRGQJGIZYISZQN-KGLIPLIRSA-N 1 2 310.394 0.362 10 0 DCAELO COCCn1c(C)cc(C(=O)C[N@H+]2C[C@@H](O)C[C@@H]2CO)c1C ZINC000184729616 396303215 /nfs/dbraw/zinc/30/32/15/396303215.db2.gz ZRGQJGIZYISZQN-KGLIPLIRSA-N 1 2 310.394 0.362 10 0 DCAELO NC(=O)NC1CC[NH+](CC(=O)Nc2nc3c(s2)CCC3)CC1 ZINC000081539584 396304668 /nfs/dbraw/zinc/30/46/68/396304668.db2.gz HAIPBVPGVIMOLD-UHFFFAOYSA-N 1 2 323.422 0.703 10 0 DCAELO Cc1ccc(CS(=O)(=O)C[C@H](O)Cn2cccn2)c(C)[nH+]1 ZINC000185243367 396323298 /nfs/dbraw/zinc/32/32/98/396323298.db2.gz SGVSYQOLKQKFHV-CQSZACIVSA-N 1 2 309.391 0.871 10 0 DCAELO Cn1nc(C(=O)NC[C@H]2C[N@H+](C)CCO2)cc1OC(F)F ZINC000185343530 396325227 /nfs/dbraw/zinc/32/52/27/396325227.db2.gz MGDULUAUKMWLNB-QMMMGPOBSA-N 1 2 304.297 0.082 10 0 DCAELO Cn1nc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1OC(F)F ZINC000185343530 396325230 /nfs/dbraw/zinc/32/52/30/396325230.db2.gz MGDULUAUKMWLNB-QMMMGPOBSA-N 1 2 304.297 0.082 10 0 DCAELO CC(=O)NCCCNC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186324954 396347954 /nfs/dbraw/zinc/34/79/54/396347954.db2.gz KURIHVZYVAUHBH-UHFFFAOYSA-N 1 2 319.409 0.830 10 0 DCAELO NC(=O)[C@]1(O)CCC[N@H+](Cc2ccc(Br)cn2)C1 ZINC000284769092 396346396 /nfs/dbraw/zinc/34/63/96/396346396.db2.gz GYLUILCAJLXECD-LBPRGKRZSA-N 1 2 314.183 0.656 10 0 DCAELO NC(=O)[C@]1(O)CCC[N@@H+](Cc2ccc(Br)cn2)C1 ZINC000284769092 396346397 /nfs/dbraw/zinc/34/63/97/396346397.db2.gz GYLUILCAJLXECD-LBPRGKRZSA-N 1 2 314.183 0.656 10 0 DCAELO O=C1C[N@H+](C[C@H](O)Cn2cccn2)CCN1c1cccs1 ZINC000186091074 396341221 /nfs/dbraw/zinc/34/12/21/396341221.db2.gz BHZMSFZAOOTHQD-LBPRGKRZSA-N 1 2 306.391 0.654 10 0 DCAELO O=C1C[N@@H+](C[C@H](O)Cn2cccn2)CCN1c1cccs1 ZINC000186091074 396341223 /nfs/dbraw/zinc/34/12/23/396341223.db2.gz BHZMSFZAOOTHQD-LBPRGKRZSA-N 1 2 306.391 0.654 10 0 DCAELO COCCCS(=O)(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186118153 396341654 /nfs/dbraw/zinc/34/16/54/396341654.db2.gz JCOGVGGVVDNOJY-UHFFFAOYSA-N 1 2 313.423 0.960 10 0 DCAELO C[C@H]1CN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)CC(=O)N1C ZINC000283684046 396343193 /nfs/dbraw/zinc/34/31/93/396343193.db2.gz ZLKNKHUSGNVTJK-RYUDHWBXSA-N 1 2 305.382 0.105 10 0 DCAELO C[C@H]1CN(c2cc(N3CCC[C@H]3CO)nc[nH+]2)CC(=O)N1C ZINC000283684046 396343196 /nfs/dbraw/zinc/34/31/96/396343196.db2.gz ZLKNKHUSGNVTJK-RYUDHWBXSA-N 1 2 305.382 0.105 10 0 DCAELO CCSCc1cc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)no1 ZINC000186615016 396353288 /nfs/dbraw/zinc/35/32/88/396353288.db2.gz KXADQFKSUCIMAZ-NSHDSACASA-N 1 2 310.423 0.657 10 0 DCAELO Cc1cc(N2CCN(C(=O)NCCCn3cc[nH+]c3)CC2)n[nH]1 ZINC000187825113 396374696 /nfs/dbraw/zinc/37/46/96/396374696.db2.gz LPZXCVDFRBGVHL-UHFFFAOYSA-N 1 2 317.397 0.837 10 0 DCAELO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc4[nH]nnc4c3)[C@H]2C1 ZINC000285989897 396367717 /nfs/dbraw/zinc/36/77/17/396367717.db2.gz YIAOPKOMTVGOEE-UONOGXRCSA-N 1 2 301.350 0.503 10 0 DCAELO C[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc4[nH]nnc4c3)[C@H]2C1 ZINC000285989897 396367719 /nfs/dbraw/zinc/36/77/19/396367719.db2.gz YIAOPKOMTVGOEE-UONOGXRCSA-N 1 2 301.350 0.503 10 0 DCAELO CN(C)C(=O)CN1CCC([N@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000187668069 396372276 /nfs/dbraw/zinc/37/22/76/396372276.db2.gz KXFJTKWVYFUFEI-UHFFFAOYSA-N 1 2 313.442 0.813 10 0 DCAELO CN(C)C(=O)CN1CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000187668069 396372278 /nfs/dbraw/zinc/37/22/78/396372278.db2.gz KXFJTKWVYFUFEI-UHFFFAOYSA-N 1 2 313.442 0.813 10 0 DCAELO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000188278506 396381109 /nfs/dbraw/zinc/38/11/09/396381109.db2.gz CEILYMDYRIIZFQ-CYBMUJFWSA-N 1 2 305.444 0.106 10 0 DCAELO CC(=O)N1CC(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)C1 ZINC000188591330 396383632 /nfs/dbraw/zinc/38/36/32/396383632.db2.gz DHZQDNLJYLVVPA-CYBMUJFWSA-N 1 2 304.394 0.680 10 0 DCAELO Cc1cccc(OCCNC(=O)C[N@@H+]2CCCNC(=O)[C@H]2C)c1 ZINC000189332146 396394156 /nfs/dbraw/zinc/39/41/56/396394156.db2.gz KJRLHEACEZRBAX-CQSZACIVSA-N 1 2 319.405 0.700 10 0 DCAELO Cc1cccc(OCCNC(=O)C[N@H+]2CCCNC(=O)[C@H]2C)c1 ZINC000189332146 396394158 /nfs/dbraw/zinc/39/41/58/396394158.db2.gz KJRLHEACEZRBAX-CQSZACIVSA-N 1 2 319.405 0.700 10 0 DCAELO CCn1cc([C@@H]2C[N@H+](CCCN3C(=O)CNC3=O)CCO2)cn1 ZINC000190790890 396412026 /nfs/dbraw/zinc/41/20/26/396412026.db2.gz USQCBCDKARTMNK-ZDUSSCGKSA-N 1 2 321.381 0.218 10 0 DCAELO CCn1cc([C@@H]2C[N@@H+](CCCN3C(=O)CNC3=O)CCO2)cn1 ZINC000190790890 396412028 /nfs/dbraw/zinc/41/20/28/396412028.db2.gz USQCBCDKARTMNK-ZDUSSCGKSA-N 1 2 321.381 0.218 10 0 DCAELO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CC(=O)NC[C@@H]1CCCO1 ZINC000191221439 396417516 /nfs/dbraw/zinc/41/75/16/396417516.db2.gz SMTAAPVHILEONP-COMQUAJESA-N 1 2 310.394 0.555 10 0 DCAELO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CC(=O)NC[C@@H]1CCCO1 ZINC000191221439 396417518 /nfs/dbraw/zinc/41/75/18/396417518.db2.gz SMTAAPVHILEONP-COMQUAJESA-N 1 2 310.394 0.555 10 0 DCAELO Cc1cc(-n2cc[nH+]c2)ccc1CN1CCOC[C@H]1C(N)=O ZINC000192142807 396430210 /nfs/dbraw/zinc/43/02/10/396430210.db2.gz JOLKVELEVIVBKA-HNNXBMFYSA-N 1 2 300.362 0.867 10 0 DCAELO Cc1ccc(OC[C@H](O)C[NH+]2CC(NC(=O)C3CC3)C2)cc1 ZINC000187979639 396377295 /nfs/dbraw/zinc/37/72/95/396377295.db2.gz UYGUJZDFPWZNKW-OAHLLOKOSA-N 1 2 304.390 0.945 10 0 DCAELO Cc1ccc(C[C@@H](CO)NC(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000188045317 396378583 /nfs/dbraw/zinc/37/85/83/396378583.db2.gz QIVPRWVCXYCUTC-JKSUJKDBSA-N 1 2 321.421 0.528 10 0 DCAELO Cc1ccc(C[C@@H](CO)NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000188045317 396378588 /nfs/dbraw/zinc/37/85/88/396378588.db2.gz QIVPRWVCXYCUTC-JKSUJKDBSA-N 1 2 321.421 0.528 10 0 DCAELO COc1cc[nH+]cc1NC(=O)C(=O)NCCOCC1CCC1 ZINC000580985741 396516279 /nfs/dbraw/zinc/51/62/79/396516279.db2.gz OMSBKIDUCVFYIA-UHFFFAOYSA-N 1 2 307.350 0.962 10 0 DCAELO O=C(C[N@@H+]1CCN2CCOC[C@H]2C1)N1CCCc2ccccc21 ZINC000371827996 396477850 /nfs/dbraw/zinc/47/78/50/396477850.db2.gz CDJIGDOUHMKCCF-MRXNPFEDSA-N 1 2 315.417 0.982 10 0 DCAELO O=C(C[N@H+]1CCN2CCOC[C@H]2C1)N1CCCc2ccccc21 ZINC000371827996 396477852 /nfs/dbraw/zinc/47/78/52/396477852.db2.gz CDJIGDOUHMKCCF-MRXNPFEDSA-N 1 2 315.417 0.982 10 0 DCAELO COC[C@H]1CN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CCO1 ZINC000561004995 396628410 /nfs/dbraw/zinc/62/84/10/396628410.db2.gz DVJHSKHMYQCOJD-GFCCVEGCSA-N 1 2 318.333 0.147 10 0 DCAELO C[C@@H](C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)N1C(=O)CCC1=O ZINC000589947753 396732079 /nfs/dbraw/zinc/73/20/79/396732079.db2.gz HZNVNNYHYWTMCM-JTQLQIEISA-N 1 2 304.350 0.653 10 0 DCAELO COC(=O)CNC(=O)C[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375466088 396752977 /nfs/dbraw/zinc/75/29/77/396752977.db2.gz RXYKGMWRWZGOOO-JTQLQIEISA-N 1 2 308.338 0.026 10 0 DCAELO COC(=O)CNC(=O)C[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375466088 396752980 /nfs/dbraw/zinc/75/29/80/396752980.db2.gz RXYKGMWRWZGOOO-JTQLQIEISA-N 1 2 308.338 0.026 10 0 DCAELO CCN1CCN(C(=O)c2cc(OC)no2)C[C@@H]1c1[nH+]ccn1C ZINC000328630827 396827385 /nfs/dbraw/zinc/82/73/85/396827385.db2.gz QGFRJHDDXSDFFJ-LLVKDONJSA-N 1 2 319.365 0.936 10 0 DCAELO C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329157939 396840002 /nfs/dbraw/zinc/84/00/02/396840002.db2.gz DHTIYQZQEFLFOK-MELADBBJSA-N 1 2 314.451 0.752 10 0 DCAELO C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329157939 396840005 /nfs/dbraw/zinc/84/00/05/396840005.db2.gz DHTIYQZQEFLFOK-MELADBBJSA-N 1 2 314.451 0.752 10 0 DCAELO NC(=O)[C@@]1(O)CC[N@H+](Cc2ccncc2Br)C1 ZINC000625362943 396847240 /nfs/dbraw/zinc/84/72/40/396847240.db2.gz HJZQWZFCGHBMCD-LLVKDONJSA-N 1 2 300.156 0.266 10 0 DCAELO NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccncc2Br)C1 ZINC000625362943 396847244 /nfs/dbraw/zinc/84/72/44/396847244.db2.gz HJZQWZFCGHBMCD-LLVKDONJSA-N 1 2 300.156 0.266 10 0 DCAELO CCOC1CC(C(=O)N2CC[NH+]([C@H]3CCCCNC3=O)CC2)C1 ZINC000376681928 396962834 /nfs/dbraw/zinc/96/28/34/396962834.db2.gz SLRAJVFYTIEVMT-NRXISQOPSA-N 1 2 323.437 0.614 10 0 DCAELO CC(=O)N(C)c1ccc(NC(=O)NC[C@@H]2COCC[N@@H+]2C)cn1 ZINC000626590012 397198672 /nfs/dbraw/zinc/19/86/72/397198672.db2.gz UTKQSXRCGIPIEC-CYBMUJFWSA-N 1 2 321.381 0.516 10 0 DCAELO CC(=O)N(C)c1ccc(NC(=O)NC[C@@H]2COCC[N@H+]2C)cn1 ZINC000626590012 397198679 /nfs/dbraw/zinc/19/86/79/397198679.db2.gz UTKQSXRCGIPIEC-CYBMUJFWSA-N 1 2 321.381 0.516 10 0 DCAELO COC(=O)[C@@]1(C)CN(C(=O)C2([NH+]3CCOCC3)CCC2)C[C@@H]1C ZINC000601708563 397218266 /nfs/dbraw/zinc/21/82/66/397218266.db2.gz PGLTWLYGJKBFCQ-BBRMVZONSA-N 1 2 324.421 0.899 10 0 DCAELO C[C@H](O)C(=O)N1CCN(c2[nH+]c3cccc(F)c3n2C)CC1 ZINC000407953382 397335172 /nfs/dbraw/zinc/33/51/72/397335172.db2.gz BDHQQIIYMXZNSG-JTQLQIEISA-N 1 2 306.341 0.742 10 0 DCAELO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000366134410 397340379 /nfs/dbraw/zinc/34/03/79/397340379.db2.gz GDBVRKYDEQLUGQ-SYQHCUMBSA-N 1 2 311.426 0.741 10 0 DCAELO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000366134410 397340387 /nfs/dbraw/zinc/34/03/87/397340387.db2.gz GDBVRKYDEQLUGQ-SYQHCUMBSA-N 1 2 311.426 0.741 10 0 DCAELO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000408249454 397351124 /nfs/dbraw/zinc/35/11/24/397351124.db2.gz VYEKXSATOYEUTD-TXEJJXNPSA-N 1 2 302.440 0.895 10 0 DCAELO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000408249454 397351128 /nfs/dbraw/zinc/35/11/28/397351128.db2.gz VYEKXSATOYEUTD-TXEJJXNPSA-N 1 2 302.440 0.895 10 0 DCAELO CCOC(=O)c1ncc(C[N@@H+]2C[C@H](O)C[C@@]2(C)CO)s1 ZINC000602898129 397517470 /nfs/dbraw/zinc/51/74/70/397517470.db2.gz LRUXLOYIXPNGKK-RNCFNFMXSA-N 1 2 300.380 0.637 10 0 DCAELO CCOC(=O)c1ncc(C[N@H+]2C[C@H](O)C[C@@]2(C)CO)s1 ZINC000602898129 397517474 /nfs/dbraw/zinc/51/74/74/397517474.db2.gz LRUXLOYIXPNGKK-RNCFNFMXSA-N 1 2 300.380 0.637 10 0 DCAELO Cn1cc[nH+]c1C[C@@H](NC(=O)CS(C)(=O)=O)c1ccccc1 ZINC000608207051 397720454 /nfs/dbraw/zinc/72/04/54/397720454.db2.gz ANDPFSLPVMNAHG-CYBMUJFWSA-N 1 2 321.402 0.865 10 0 DCAELO CC(=O)NC[C@H]1CN(C(=O)Nc2ccc3[nH+]ccn3c2)CCO1 ZINC000606580113 397683823 /nfs/dbraw/zinc/68/38/23/397683823.db2.gz ANSHLADLPCCJAN-ZDUSSCGKSA-N 1 2 317.349 0.703 10 0 DCAELO CCOCCS(=O)(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000246639846 286121610 /nfs/dbraw/zinc/12/16/10/286121610.db2.gz ZIQAUERWJBOZTB-OLZOCXBDSA-N 1 2 306.428 0.005 10 0 DCAELO CCS(=O)(=O)N(C)CC(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000177809154 286647910 /nfs/dbraw/zinc/64/79/10/286647910.db2.gz KEJKDWKRYKJDRD-LBPRGKRZSA-N 1 2 314.411 0.156 10 0 DCAELO CCCS(=O)(=O)CC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000055214722 158022873 /nfs/dbraw/zinc/02/28/73/158022873.db2.gz CBYHIOQYCRQDJT-UHFFFAOYSA-N 1 2 322.390 0.708 10 0 DCAELO CCNC(=O)CNC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000061376289 158028542 /nfs/dbraw/zinc/02/85/42/158028542.db2.gz SICQVXSNBCLVLO-UHFFFAOYSA-N 1 2 302.338 0.203 10 0 DCAELO Cc1cccc(OCCNC(=O)[C@@H](C)[N@@H+]2CCNC(=O)CC2)c1 ZINC000065955263 158034136 /nfs/dbraw/zinc/03/41/36/158034136.db2.gz AQSZZYYSAWQOAM-CQSZACIVSA-N 1 2 319.405 0.700 10 0 DCAELO Cc1cccc(OCCNC(=O)[C@@H](C)[N@H+]2CCNC(=O)CC2)c1 ZINC000065955263 158034139 /nfs/dbraw/zinc/03/41/39/158034139.db2.gz AQSZZYYSAWQOAM-CQSZACIVSA-N 1 2 319.405 0.700 10 0 DCAELO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)OCC(F)(F)F)CC1 ZINC000087304295 158092083 /nfs/dbraw/zinc/09/20/83/158092083.db2.gz UNWUWUZAUWYTQF-UHFFFAOYSA-N 1 2 311.304 0.781 10 0 DCAELO CN(C)C(=O)C[N@H+]1CCCN(C(=O)OCC(F)(F)F)CC1 ZINC000087304295 158092084 /nfs/dbraw/zinc/09/20/84/158092084.db2.gz UNWUWUZAUWYTQF-UHFFFAOYSA-N 1 2 311.304 0.781 10 0 DCAELO CCn1cc(C[N@@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)cn1 ZINC000092044728 158111304 /nfs/dbraw/zinc/11/13/04/158111304.db2.gz GCUZHSRIZPTJCN-AWEZNQCLSA-N 1 2 312.439 0.903 10 0 DCAELO CCn1cc(C[N@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)cn1 ZINC000092044728 158111308 /nfs/dbraw/zinc/11/13/08/158111308.db2.gz GCUZHSRIZPTJCN-AWEZNQCLSA-N 1 2 312.439 0.903 10 0 DCAELO Cn1cc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)c(C(C)(C)C)n1 ZINC000092282982 158112591 /nfs/dbraw/zinc/11/25/91/158112591.db2.gz UYOQUMSUNQBKKA-LBPRGKRZSA-N 1 2 305.426 0.447 10 0 DCAELO Cc1nn(C)c(C)c1CCC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000114857103 158157285 /nfs/dbraw/zinc/15/72/85/158157285.db2.gz ZLZIDMOJMUBLLS-OAHLLOKOSA-N 1 2 320.437 0.949 10 0 DCAELO Cc1nn(C)c(C)c1CCC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000114857103 158157291 /nfs/dbraw/zinc/15/72/91/158157291.db2.gz ZLZIDMOJMUBLLS-OAHLLOKOSA-N 1 2 320.437 0.949 10 0 DCAELO CC(C)(C)C(=O)NCCC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000114855162 158157820 /nfs/dbraw/zinc/15/78/20/158157820.db2.gz SDIMZDQIGKXRMT-ZDUSSCGKSA-N 1 2 311.426 0.518 10 0 DCAELO CC(C)(C)C(=O)NCCC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000114855162 158157822 /nfs/dbraw/zinc/15/78/22/158157822.db2.gz SDIMZDQIGKXRMT-ZDUSSCGKSA-N 1 2 311.426 0.518 10 0 DCAELO CC[C@@H]1CN(S(=O)(=O)CCCOC)CC[N@@H+]1CCOC ZINC000117371858 158171907 /nfs/dbraw/zinc/17/19/07/158171907.db2.gz KDFPLNPJCIJNER-CYBMUJFWSA-N 1 2 308.444 0.395 10 0 DCAELO CC[C@@H]1CN(S(=O)(=O)CCCOC)CC[N@H+]1CCOC ZINC000117371858 158171909 /nfs/dbraw/zinc/17/19/09/158171909.db2.gz KDFPLNPJCIJNER-CYBMUJFWSA-N 1 2 308.444 0.395 10 0 DCAELO Cc1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCO2)cc1F ZINC000118115846 158175616 /nfs/dbraw/zinc/17/56/16/158175616.db2.gz SIBYKBUTMRNFCK-LBPRGKRZSA-N 1 2 309.341 0.519 10 0 DCAELO Cc1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1F ZINC000118115846 158175618 /nfs/dbraw/zinc/17/56/18/158175618.db2.gz SIBYKBUTMRNFCK-LBPRGKRZSA-N 1 2 309.341 0.519 10 0 DCAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)Nc1cc(F)ccc1F ZINC000119288388 158185983 /nfs/dbraw/zinc/18/59/83/158185983.db2.gz KKIUPAIOFBYAKC-NSHDSACASA-N 1 2 315.320 0.779 10 0 DCAELO COC(=O)c1[nH]c(C)c(C(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c1C ZINC000121028779 158206410 /nfs/dbraw/zinc/20/64/10/158206410.db2.gz AXIJVVOTTRWWJR-NWDGAFQWSA-N 1 2 321.377 0.573 10 0 DCAELO COC(=O)c1[nH]c(C)c(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c1C ZINC000121028779 158206412 /nfs/dbraw/zinc/20/64/12/158206412.db2.gz AXIJVVOTTRWWJR-NWDGAFQWSA-N 1 2 321.377 0.573 10 0 DCAELO CC[C@](C)(O)C[NH+]1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000123373401 158229552 /nfs/dbraw/zinc/22/95/52/158229552.db2.gz QNGWGIFYSYXPBV-AWEZNQCLSA-N 1 2 313.423 0.549 10 0 DCAELO C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+]1CCNC(=O)CC1 ZINC000126165525 158262655 /nfs/dbraw/zinc/26/26/55/158262655.db2.gz NSIZCQNFOCJASR-SNVBAGLBSA-N 1 2 322.340 0.684 10 0 DCAELO C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+]1CCNC(=O)CC1 ZINC000126165525 158262658 /nfs/dbraw/zinc/26/26/58/158262658.db2.gz NSIZCQNFOCJASR-SNVBAGLBSA-N 1 2 322.340 0.684 10 0 DCAELO Cn1c2cccc(C(=O)N3C[C@H]4OCC[N@H+](C)[C@H]4C3)c2oc1=O ZINC000128934980 158284721 /nfs/dbraw/zinc/28/47/21/158284721.db2.gz BYFRBQCQWHVMBN-QWHCGFSZSA-N 1 2 317.345 0.287 10 0 DCAELO Cn1c2cccc(C(=O)N3C[C@H]4OCC[N@@H+](C)[C@H]4C3)c2oc1=O ZINC000128934980 158284724 /nfs/dbraw/zinc/28/47/24/158284724.db2.gz BYFRBQCQWHVMBN-QWHCGFSZSA-N 1 2 317.345 0.287 10 0 DCAELO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+]([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000134365180 158327064 /nfs/dbraw/zinc/32/70/64/158327064.db2.gz HGIFLDCNWIPFEO-QWHCGFSZSA-N 1 2 315.439 0.152 10 0 DCAELO CC(C)NS(=O)(=O)[C@H]1CC[N@H+]([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000134365180 158327066 /nfs/dbraw/zinc/32/70/66/158327066.db2.gz HGIFLDCNWIPFEO-QWHCGFSZSA-N 1 2 315.439 0.152 10 0 DCAELO O=C(CCOC[C@@H]1CCCO1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172753578 158398950 /nfs/dbraw/zinc/39/89/50/158398950.db2.gz BXTJLGQVCJBOPD-CABCVRRESA-N 1 2 312.410 0.505 10 0 DCAELO CCC[C@H](NC(N)=O)C(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000183549022 158499591 /nfs/dbraw/zinc/49/95/91/158499591.db2.gz LZDZNEWDICMBIK-ZDUSSCGKSA-N 1 2 319.409 0.957 10 0 DCAELO C[C@@H]1CCNC(=O)[C@@H]1NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000195157991 158605751 /nfs/dbraw/zinc/60/57/51/158605751.db2.gz VCYAKBXOEGWEHJ-KWCYVHTRSA-N 1 2 309.410 0.128 10 0 DCAELO C[C@@H]1CCNC(=O)[C@@H]1NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000195157991 158605754 /nfs/dbraw/zinc/60/57/54/158605754.db2.gz VCYAKBXOEGWEHJ-KWCYVHTRSA-N 1 2 309.410 0.128 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H](O)c2ccccc2F)C1 ZINC000246514110 158666053 /nfs/dbraw/zinc/66/60/53/158666053.db2.gz UXOWAJXHZDZKSX-BXUZGUMPSA-N 1 2 311.357 0.489 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)NC[C@@H](O)c2ccccc2F)C1 ZINC000246514110 158666055 /nfs/dbraw/zinc/66/60/55/158666055.db2.gz UXOWAJXHZDZKSX-BXUZGUMPSA-N 1 2 311.357 0.489 10 0 DCAELO O=C([C@@H]1CCCCS1(=O)=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000328665831 159018507 /nfs/dbraw/zinc/01/85/07/159018507.db2.gz ZNGPDODGMOSUTL-KGLIPLIRSA-N 1 2 323.418 0.522 10 0 DCAELO C[C@H](OC[C@@H]1CCCO1)C(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000328856218 159034999 /nfs/dbraw/zinc/03/49/99/159034999.db2.gz CXPJAZCTULMXRV-BYNSBNAKSA-N 1 2 312.410 0.502 10 0 DCAELO C[C@H](OC[C@@H]1CCCO1)C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000328856218 159035001 /nfs/dbraw/zinc/03/50/01/159035001.db2.gz CXPJAZCTULMXRV-BYNSBNAKSA-N 1 2 312.410 0.502 10 0 DCAELO CCCC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000328902134 159039295 /nfs/dbraw/zinc/03/92/95/159039295.db2.gz GGJRYJUPVZUJBT-QLFBSQMISA-N 1 2 323.437 0.709 10 0 DCAELO CCCC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000328902134 159039296 /nfs/dbraw/zinc/03/92/96/159039296.db2.gz GGJRYJUPVZUJBT-QLFBSQMISA-N 1 2 323.437 0.709 10 0 DCAELO Cc1cc(NC(=O)CN2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)n(C)n1 ZINC000328905480 159039829 /nfs/dbraw/zinc/03/98/29/159039829.db2.gz KBFHKGVRTUZBDK-STQMWFEESA-N 1 2 307.398 0.072 10 0 DCAELO Cc1cc(NC(=O)CN2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)n(C)n1 ZINC000328905480 159039833 /nfs/dbraw/zinc/03/98/33/159039833.db2.gz KBFHKGVRTUZBDK-STQMWFEESA-N 1 2 307.398 0.072 10 0 DCAELO Cc1cc(NC(=O)C[N@@H+]2CC[C@@H]3OCCN(C)[C@H]3C2)n(C)n1 ZINC000328905480 159039837 /nfs/dbraw/zinc/03/98/37/159039837.db2.gz KBFHKGVRTUZBDK-STQMWFEESA-N 1 2 307.398 0.072 10 0 DCAELO Cc1cc(NC(=O)C[N@H+]2CC[C@@H]3OCCN(C)[C@H]3C2)n(C)n1 ZINC000328905480 159039839 /nfs/dbraw/zinc/03/98/39/159039839.db2.gz KBFHKGVRTUZBDK-STQMWFEESA-N 1 2 307.398 0.072 10 0 DCAELO Cc1cc(NC(=O)CN2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)n(C)n1 ZINC000328905478 159040276 /nfs/dbraw/zinc/04/02/76/159040276.db2.gz KBFHKGVRTUZBDK-OLZOCXBDSA-N 1 2 307.398 0.072 10 0 DCAELO Cc1cc(NC(=O)CN2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)n(C)n1 ZINC000328905478 159040277 /nfs/dbraw/zinc/04/02/77/159040277.db2.gz KBFHKGVRTUZBDK-OLZOCXBDSA-N 1 2 307.398 0.072 10 0 DCAELO Cc1cc(NC(=O)C[N@@H+]2CC[C@@H]3OCCN(C)[C@@H]3C2)n(C)n1 ZINC000328905478 159040278 /nfs/dbraw/zinc/04/02/78/159040278.db2.gz KBFHKGVRTUZBDK-OLZOCXBDSA-N 1 2 307.398 0.072 10 0 DCAELO Cc1cc(NC(=O)C[N@H+]2CC[C@@H]3OCCN(C)[C@@H]3C2)n(C)n1 ZINC000328905478 159040279 /nfs/dbraw/zinc/04/02/79/159040279.db2.gz KBFHKGVRTUZBDK-OLZOCXBDSA-N 1 2 307.398 0.072 10 0 DCAELO COc1cccc(CC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC000328958012 159046567 /nfs/dbraw/zinc/04/65/67/159046567.db2.gz OHEDAMWFCVBYCT-KBPBESRZSA-N 1 2 305.378 0.564 10 0 DCAELO COc1cccc(CC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000328958012 159046574 /nfs/dbraw/zinc/04/65/74/159046574.db2.gz OHEDAMWFCVBYCT-KBPBESRZSA-N 1 2 305.378 0.564 10 0 DCAELO Cc1cnn(C[C@H]2CN(C(=O)[C@@H](C)[NH+]3CCOCC3)CCO2)c1 ZINC000329230355 159075227 /nfs/dbraw/zinc/07/52/27/159075227.db2.gz DJYNFYZMBHGJRC-HUUCEWRRSA-N 1 2 322.409 0.140 10 0 DCAELO O=C(N1CCC[C@H](c2nnc[nH]2)C1)C1([NH+]2CCOCC2)CCC1 ZINC000329340398 159083728 /nfs/dbraw/zinc/08/37/28/159083728.db2.gz RPTQJBOMGNEOEY-ZDUSSCGKSA-N 1 2 319.409 0.766 10 0 DCAELO Cc1nc(N2CCN(C(=O)[C@@H]3[C@@H]4CCCO[C@H]34)CC2)cc[nH+]1 ZINC000329493978 159097122 /nfs/dbraw/zinc/09/71/22/159097122.db2.gz FDSIKRIRHVQIKQ-CFVMTHIKSA-N 1 2 302.378 0.859 10 0 DCAELO Cn1cc(C(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c([C@H]2CCOC2)n1 ZINC000329885159 159125947 /nfs/dbraw/zinc/12/59/47/159125947.db2.gz UFBAXVSAZYKDPQ-FPMFFAJLSA-N 1 2 320.393 0.079 10 0 DCAELO Cn1cc(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c([C@H]2CCOC2)n1 ZINC000329885159 159125948 /nfs/dbraw/zinc/12/59/48/159125948.db2.gz UFBAXVSAZYKDPQ-FPMFFAJLSA-N 1 2 320.393 0.079 10 0 DCAELO C[C@H]1OCC[C@@]1(O)CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000332770341 159213250 /nfs/dbraw/zinc/21/32/50/159213250.db2.gz IRUDPVOIOWMADI-VMUDFCTBSA-N 1 2 319.405 0.810 10 0 DCAELO Cn1cc[nH+]c1CNC(=O)N1CCN(c2ccc(F)cn2)CC1 ZINC000378435535 159982704 /nfs/dbraw/zinc/98/27/04/159982704.db2.gz NWPPTBZJSHPLAL-UHFFFAOYSA-N 1 2 318.356 0.986 10 0 DCAELO Cn1ncc2c1nc[nH+]c2N[C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000407977105 160000988 /nfs/dbraw/zinc/00/09/88/160000988.db2.gz QXVHLEADIQGWCN-WDEREUQCSA-N 1 2 324.410 0.636 10 0 DCAELO CCC(=O)N[C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCN(C)CC2)C1 ZINC000407979232 160001917 /nfs/dbraw/zinc/00/19/17/160001917.db2.gz SXPHZTBMZYXUTO-KGLIPLIRSA-N 1 2 310.442 0.140 10 0 DCAELO C[C@H](C(=O)N1CCC[C@H]1[C@@H](O)C(F)(F)F)[NH+]1CCOCC1 ZINC000408011613 160010705 /nfs/dbraw/zinc/01/07/05/160010705.db2.gz YUBFIRWHBCGBOT-OUAUKWLOSA-N 1 2 310.316 0.621 10 0 DCAELO COc1ccc(CNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)cn1 ZINC000408015095 160010963 /nfs/dbraw/zinc/01/09/63/160010963.db2.gz ABEMLRNKWLXIDD-UONOGXRCSA-N 1 2 320.393 0.705 10 0 DCAELO COc1ccc(CNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)cn1 ZINC000408015095 160010964 /nfs/dbraw/zinc/01/09/64/160010964.db2.gz ABEMLRNKWLXIDD-UONOGXRCSA-N 1 2 320.393 0.705 10 0 DCAELO CCCCN(C)S(=O)(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000408017383 160012458 /nfs/dbraw/zinc/01/24/58/160012458.db2.gz RQYMVRPQQDYBHD-CHWSQXEVSA-N 1 2 305.444 0.368 10 0 DCAELO CCCCN(C)S(=O)(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000408017383 160012460 /nfs/dbraw/zinc/01/24/60/160012460.db2.gz RQYMVRPQQDYBHD-CHWSQXEVSA-N 1 2 305.444 0.368 10 0 DCAELO COCC[C@H](C)S(=O)(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000408018271 160012806 /nfs/dbraw/zinc/01/28/06/160012806.db2.gz ZPHMFMYAFMVJJR-XQQFMLRXSA-N 1 2 306.428 0.146 10 0 DCAELO COCC[C@H](C)S(=O)(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000408018271 160012803 /nfs/dbraw/zinc/01/28/03/160012803.db2.gz ZPHMFMYAFMVJJR-XQQFMLRXSA-N 1 2 306.428 0.146 10 0 DCAELO C[C@@H]1C[C@H](CNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)CCO1 ZINC000408020226 160013786 /nfs/dbraw/zinc/01/37/86/160013786.db2.gz CKVKFUOPFJBBOV-APIJFGDWSA-N 1 2 311.426 0.916 10 0 DCAELO C[C@@H]1C[C@H](CNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)CCO1 ZINC000408020226 160013788 /nfs/dbraw/zinc/01/37/88/160013788.db2.gz CKVKFUOPFJBBOV-APIJFGDWSA-N 1 2 311.426 0.916 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(NC(N)=O)cc3)C[C@H]21 ZINC000408023613 160014508 /nfs/dbraw/zinc/01/45/08/160014508.db2.gz SZSNWPIBNXMIPW-ZIAGYGMSSA-N 1 2 318.377 0.722 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(NC(N)=O)cc3)C[C@H]21 ZINC000408023613 160014510 /nfs/dbraw/zinc/01/45/10/160014510.db2.gz SZSNWPIBNXMIPW-ZIAGYGMSSA-N 1 2 318.377 0.722 10 0 DCAELO Cn1cc[nH+]c1CNC(=O)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000408139811 160046284 /nfs/dbraw/zinc/04/62/84/160046284.db2.gz PJQJFQDBOMLJDI-ZDUSSCGKSA-N 1 2 319.409 0.964 10 0 DCAELO O=C(C[N@H+]1CCC[C@](O)(C(F)(F)F)C1)NC(=O)NC1CC1 ZINC000408187836 160055715 /nfs/dbraw/zinc/05/57/15/160055715.db2.gz ANYURIPEDHLGKL-LLVKDONJSA-N 1 2 309.288 0.364 10 0 DCAELO O=C(C[N@@H+]1CCC[C@](O)(C(F)(F)F)C1)NC(=O)NC1CC1 ZINC000408187836 160055717 /nfs/dbraw/zinc/05/57/17/160055717.db2.gz ANYURIPEDHLGKL-LLVKDONJSA-N 1 2 309.288 0.364 10 0 DCAELO CC1CCN(C(=O)C[N@H+](C)C[C@H]2CCS(=O)(=O)C2)CC1 ZINC000408220395 160063144 /nfs/dbraw/zinc/06/31/44/160063144.db2.gz WBNMCNILFHWAAA-CYBMUJFWSA-N 1 2 302.440 0.611 10 0 DCAELO CC1CCN(C(=O)C[N@@H+](C)C[C@H]2CCS(=O)(=O)C2)CC1 ZINC000408220395 160063145 /nfs/dbraw/zinc/06/31/45/160063145.db2.gz WBNMCNILFHWAAA-CYBMUJFWSA-N 1 2 302.440 0.611 10 0 DCAELO Cc1cnc(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c(O)c1 ZINC000408223370 160063156 /nfs/dbraw/zinc/06/31/56/160063156.db2.gz ISTJBYURFWWRTA-STQMWFEESA-N 1 2 305.378 0.888 10 0 DCAELO COCC[C@H](C)S(=O)(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000408243283 160067892 /nfs/dbraw/zinc/06/78/92/160067892.db2.gz FRUSMXNEUBQADQ-HZSPNIEDSA-N 1 2 320.455 0.394 10 0 DCAELO CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@@H]2CCCc3n[nH]cc32)CC1 ZINC000408258791 160071305 /nfs/dbraw/zinc/07/13/05/160071305.db2.gz BEHCANSAINIFSI-LLVKDONJSA-N 1 2 319.409 0.238 10 0 DCAELO C[C@@H]1OCC[C@@]12CN(C(=O)C1([NH+]3CCOCC3)CCC1)CCO2 ZINC000408298772 160079330 /nfs/dbraw/zinc/07/93/30/160079330.db2.gz QKBVPKWFVXUNHD-WMLDXEAASA-N 1 2 324.421 0.648 10 0 DCAELO Cc1nnc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)o1 ZINC000408381785 160096121 /nfs/dbraw/zinc/09/61/21/160096121.db2.gz ODHPRKMIYZNJLE-JMJZKYOTSA-N 1 2 302.400 0.889 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)[C@@H]2CCO[C@@H](C)C2)C[C@H]1C ZINC000408460157 160113783 /nfs/dbraw/zinc/11/37/83/160113783.db2.gz MAXIGUSGPDNWSH-ZOBORPQBSA-N 1 2 320.455 0.271 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)[C@@H]2CCO[C@@H](C)C2)C[C@H]1C ZINC000408460157 160113785 /nfs/dbraw/zinc/11/37/85/160113785.db2.gz MAXIGUSGPDNWSH-ZOBORPQBSA-N 1 2 320.455 0.271 10 0 DCAELO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000366134409 287004684 /nfs/dbraw/zinc/00/46/84/287004684.db2.gz GDBVRKYDEQLUGQ-RQJABVFESA-N 1 2 311.426 0.741 10 0 DCAELO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000366134409 287004686 /nfs/dbraw/zinc/00/46/86/287004686.db2.gz GDBVRKYDEQLUGQ-RQJABVFESA-N 1 2 311.426 0.741 10 0 DCAELO COc1cc(C)cc(C(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c1O ZINC000134390298 287016217 /nfs/dbraw/zinc/01/62/17/287016217.db2.gz RXLJRMCXZMBRKJ-TZMCWYRMSA-N 1 2 306.362 0.864 10 0 DCAELO COc1cc(C)cc(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1O ZINC000134390298 287016218 /nfs/dbraw/zinc/01/62/18/287016218.db2.gz RXLJRMCXZMBRKJ-TZMCWYRMSA-N 1 2 306.362 0.864 10 0 DCAELO COCC[N@@H+]1CCN(S(=O)(=O)[C@@H]2CCO[C@@H]2C)C[C@H]1C ZINC000135697229 287023959 /nfs/dbraw/zinc/02/39/59/287023959.db2.gz SYLHGBFFLXYCFM-JHJVBQTASA-N 1 2 306.428 0.146 10 0 DCAELO COCC[N@H+]1CCN(S(=O)(=O)[C@@H]2CCO[C@@H]2C)C[C@H]1C ZINC000135697229 287023964 /nfs/dbraw/zinc/02/39/64/287023964.db2.gz SYLHGBFFLXYCFM-JHJVBQTASA-N 1 2 306.428 0.146 10 0 DCAELO CCc1ccc(O)c(C(=O)NC[C@H](O)C[NH+]2CCOCC2)c1 ZINC000135574331 287023568 /nfs/dbraw/zinc/02/35/68/287023568.db2.gz DSCHTXYLLBEPQA-ZDUSSCGKSA-N 1 2 308.378 0.378 10 0 DCAELO COCC[N@@H+]1CCN(C(=O)CCCCc2cn[nH]n2)C[C@H]1C ZINC000139357807 287029294 /nfs/dbraw/zinc/02/92/94/287029294.db2.gz GCTWFCNERBOVIU-CYBMUJFWSA-N 1 2 309.414 0.697 10 0 DCAELO COCC[N@H+]1CCN(C(=O)CCCCc2cn[nH]n2)C[C@H]1C ZINC000139357807 287029295 /nfs/dbraw/zinc/02/92/95/287029295.db2.gz GCTWFCNERBOVIU-CYBMUJFWSA-N 1 2 309.414 0.697 10 0 DCAELO Cc1ccc(OC[C@H](O)C[NH+]2CCN(C(=O)[C@H](C)O)CC2)cc1 ZINC000152755488 287044249 /nfs/dbraw/zinc/04/42/49/287044249.db2.gz JULCXADWJFTDND-LSDHHAIUSA-N 1 2 322.405 0.260 10 0 DCAELO CC(C)N1CCO[C@@H](C[NH+]2CCN(Cc3ncnn3C)CC2)C1 ZINC000177132929 287053987 /nfs/dbraw/zinc/05/39/87/287053987.db2.gz LKLVOGKKTWJAOW-HNNXBMFYSA-N 1 2 322.457 0.042 10 0 DCAELO C[C@@H](CNC(=O)N[C@H](CCO)c1ccco1)[NH+]1CCOCC1 ZINC000187122250 287058541 /nfs/dbraw/zinc/05/85/41/287058541.db2.gz MKXXPSWPHDPACH-QWHCGFSZSA-N 1 2 311.382 0.723 10 0 DCAELO CCC[C@H]1C[N@@H+]([C@H](C)C(=O)N(C)CC(=O)NC2CC2)CCO1 ZINC000248043943 287095912 /nfs/dbraw/zinc/09/59/12/287095912.db2.gz MNPMYVTZODKGTJ-OCCSQVGLSA-N 1 2 311.426 0.613 10 0 DCAELO CCC[C@H]1C[N@H+]([C@H](C)C(=O)N(C)CC(=O)NC2CC2)CCO1 ZINC000248043943 287095913 /nfs/dbraw/zinc/09/59/13/287095913.db2.gz MNPMYVTZODKGTJ-OCCSQVGLSA-N 1 2 311.426 0.613 10 0 DCAELO COc1ccc2c(c1)N(C[C@@H](O)C[NH+]1CCOCC1)C[C@@H](C)O2 ZINC000247548985 287094571 /nfs/dbraw/zinc/09/45/71/287094571.db2.gz PSOPQKILPBQFGS-KGLIPLIRSA-N 1 2 322.405 0.976 10 0 DCAELO COCCO[C@H]1CCN(c2cc(N3CCC[C@H]3CO)nc[nH+]2)C1 ZINC000249080991 287106074 /nfs/dbraw/zinc/10/60/74/287106074.db2.gz QPMAVEGAXOIMHB-KBPBESRZSA-N 1 2 322.409 0.679 10 0 DCAELO COCCO[C@H]1CCN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)C1 ZINC000249080991 287106076 /nfs/dbraw/zinc/10/60/76/287106076.db2.gz QPMAVEGAXOIMHB-KBPBESRZSA-N 1 2 322.409 0.679 10 0 DCAELO CCOC(=O)[C@H](CC)N(C[C@@H](O)C[NH+]1CCOCC1)C1CC1 ZINC000249263143 287108442 /nfs/dbraw/zinc/10/84/42/287108442.db2.gz ICSGCNQVSPLJHP-GJZGRUSLSA-N 1 2 314.426 0.486 10 0 DCAELO CCOCC[N@@H+]1CCN(S(=O)(=O)C[C@H](C)OC)C[C@H]1C ZINC000249607359 287116355 /nfs/dbraw/zinc/11/63/55/287116355.db2.gz RMAWHYOGGWNMQC-OLZOCXBDSA-N 1 2 308.444 0.394 10 0 DCAELO CCOCC[N@H+]1CCN(S(=O)(=O)C[C@H](C)OC)C[C@H]1C ZINC000249607359 287116356 /nfs/dbraw/zinc/11/63/56/287116356.db2.gz RMAWHYOGGWNMQC-OLZOCXBDSA-N 1 2 308.444 0.394 10 0 DCAELO O[C@H](Cn1nnnc1/C=C\c1ccccc1)C[NH+]1CCOCC1 ZINC000255593489 287125816 /nfs/dbraw/zinc/12/58/16/287125816.db2.gz RZRNFCVRJABSEF-XHPSBEMXSA-N 1 2 315.377 0.537 10 0 DCAELO COCC[N@@H+]1CCC[C@@H]1CNC(=O)CSc1nc(C)n[nH]1 ZINC000074352040 415427841 /nfs/dbraw/zinc/42/78/41/415427841.db2.gz ZSNPPWQZFRFICR-LLVKDONJSA-N 1 2 313.427 0.432 10 0 DCAELO COCC[N@H+]1CCC[C@@H]1CNC(=O)CSc1nc(C)n[nH]1 ZINC000074352040 415427848 /nfs/dbraw/zinc/42/78/48/415427848.db2.gz ZSNPPWQZFRFICR-LLVKDONJSA-N 1 2 313.427 0.432 10 0 DCAELO CCN(C1CC[NH+](CC(=O)NC(C)(C)C)CC1)S(C)(=O)=O ZINC000066884374 415371938 /nfs/dbraw/zinc/37/19/38/415371938.db2.gz JZQOGSQFHKDOLV-UHFFFAOYSA-N 1 2 319.471 0.647 10 0 DCAELO O=C(NCC[NH+]1CCOCC1)c1ccc(-c2cncnc2)nc1 ZINC000075502076 415445376 /nfs/dbraw/zinc/44/53/76/415445376.db2.gz WONSCASNPWRWSE-UHFFFAOYSA-N 1 2 313.361 0.601 10 0 DCAELO COCC[N@H+](CC(=O)N(C)C)Cc1cnc2nc(C)cc(C)n12 ZINC000091774097 415539595 /nfs/dbraw/zinc/53/95/95/415539595.db2.gz GAKAOASPPGBFQQ-UHFFFAOYSA-N 1 2 319.409 0.883 10 0 DCAELO COCC[N@@H+](CC(=O)N(C)C)Cc1cnc2nc(C)cc(C)n12 ZINC000091774097 415539601 /nfs/dbraw/zinc/53/96/01/415539601.db2.gz GAKAOASPPGBFQQ-UHFFFAOYSA-N 1 2 319.409 0.883 10 0 DCAELO CN1C(=O)N[C@@H]2C[N@H+]([C@H]3CCN(c4ccccc4)C3=O)CC[C@@H]21 ZINC000285826406 415618951 /nfs/dbraw/zinc/61/89/51/415618951.db2.gz PEQPZXBYPKPJFY-ILXRZTDVSA-N 1 2 314.389 0.890 10 0 DCAELO CN1C(=O)N[C@@H]2C[N@@H+]([C@H]3CCN(c4ccccc4)C3=O)CC[C@@H]21 ZINC000285826406 415618957 /nfs/dbraw/zinc/61/89/57/415618957.db2.gz PEQPZXBYPKPJFY-ILXRZTDVSA-N 1 2 314.389 0.890 10 0 DCAELO COc1ccc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c(O)c1 ZINC000105569933 415632855 /nfs/dbraw/zinc/63/28/55/415632855.db2.gz LJDQDQQUIXLMCA-GFCCVEGCSA-N 1 2 306.362 0.948 10 0 DCAELO O=C(Nc1nccs1)[C@@H]1CCC[N@@H+]1CCN1C(=O)CCC1=O ZINC000121505966 415809217 /nfs/dbraw/zinc/80/92/17/415809217.db2.gz QYKQDIGAUFKMFS-JTQLQIEISA-N 1 2 322.390 0.695 10 0 DCAELO O=C(Nc1nccs1)[C@@H]1CCC[N@H+]1CCN1C(=O)CCC1=O ZINC000121505966 415809224 /nfs/dbraw/zinc/80/92/24/415809224.db2.gz QYKQDIGAUFKMFS-JTQLQIEISA-N 1 2 322.390 0.695 10 0 DCAELO CCc1noc(C)c1NC(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000128956048 415904503 /nfs/dbraw/zinc/90/45/03/415904503.db2.gz UUGLWKILRGFFBG-UHFFFAOYSA-N 1 2 324.381 0.275 10 0 DCAELO C[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CCS1(=O)=O ZINC000172375185 416046052 /nfs/dbraw/zinc/04/60/52/416046052.db2.gz RTFJXIBIVRNRNP-OCCSQVGLSA-N 1 2 310.419 0.935 10 0 DCAELO Cc1nnc([C@@H]2C[N@H+](C[C@H](O)COc3ccccc3)CCO2)[nH]1 ZINC000173661095 416062477 /nfs/dbraw/zinc/06/24/77/416062477.db2.gz XXPLRYYOOXQQIW-ZFWWWQNUSA-N 1 2 318.377 0.926 10 0 DCAELO Cc1nnc([C@@H]2C[N@@H+](C[C@H](O)COc3ccccc3)CCO2)[nH]1 ZINC000173661095 416062480 /nfs/dbraw/zinc/06/24/80/416062480.db2.gz XXPLRYYOOXQQIW-ZFWWWQNUSA-N 1 2 318.377 0.926 10 0 DCAELO Cc1c([C@@H](C)NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cnn1C ZINC000173787446 416066363 /nfs/dbraw/zinc/06/63/63/416066363.db2.gz IKPOCFSIJHIQCA-TZMCWYRMSA-N 1 2 321.425 0.906 10 0 DCAELO CCC[C@H](CCO)CNC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000173826733 416066545 /nfs/dbraw/zinc/06/65/45/416066545.db2.gz UQZOKMOSCABFIZ-ZIAGYGMSSA-N 1 2 301.431 0.805 10 0 DCAELO Cn1cc(N2CCC[C@H](NC(=O)NCCn3cc[nH+]c3)C2)cn1 ZINC000173915329 416066671 /nfs/dbraw/zinc/06/66/71/416066671.db2.gz NMWPSQDRFMZTOD-ZDUSSCGKSA-N 1 2 317.397 0.585 10 0 DCAELO Cn1cc(N2CCC[C@@H](NC(=O)NCCn3cc[nH+]c3)C2)cn1 ZINC000173915346 416067860 /nfs/dbraw/zinc/06/78/60/416067860.db2.gz NMWPSQDRFMZTOD-CYBMUJFWSA-N 1 2 317.397 0.585 10 0 DCAELO C[C@@H]1CN(C(=O)C[NH+]2CCN(c3cccnn3)CC2)C[C@@H](C)O1 ZINC000170650024 416026994 /nfs/dbraw/zinc/02/69/94/416026994.db2.gz GOCOJRCXBYXKRY-ZIAGYGMSSA-N 1 2 319.409 0.234 10 0 DCAELO CC(C)(C)NC(=O)NC(=O)C[NH+]1CCN(c2cccnn2)CC1 ZINC000170650536 416027761 /nfs/dbraw/zinc/02/77/61/416027761.db2.gz LOPHMWPKIOJJHX-UHFFFAOYSA-N 1 2 320.397 0.223 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)Cc2cc[nH]n2)nc[nH+]1 ZINC000174742823 416085320 /nfs/dbraw/zinc/08/53/20/416085320.db2.gz KWAFUOCOVIQYAF-LBPRGKRZSA-N 1 2 315.381 0.569 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)Cc2cc[nH]n2)[nH+]cn1 ZINC000174742823 416085324 /nfs/dbraw/zinc/08/53/24/416085324.db2.gz KWAFUOCOVIQYAF-LBPRGKRZSA-N 1 2 315.381 0.569 10 0 DCAELO CCC(CC)(CCO)CNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000174748789 416086409 /nfs/dbraw/zinc/08/64/09/416086409.db2.gz MDAIRBSVOYBNIK-CYBMUJFWSA-N 1 2 301.431 0.805 10 0 DCAELO CCC(CC)(CCO)CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000174748789 416086414 /nfs/dbraw/zinc/08/64/14/416086414.db2.gz MDAIRBSVOYBNIK-CYBMUJFWSA-N 1 2 301.431 0.805 10 0 DCAELO COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@@H](C)C(N)=O)CC2 ZINC000357545489 416096399 /nfs/dbraw/zinc/09/63/99/416096399.db2.gz OZMTZIPJILLRLS-JTQLQIEISA-N 1 2 321.377 0.052 10 0 DCAELO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@@H](C)C(N)=O)CC2 ZINC000357545489 416096402 /nfs/dbraw/zinc/09/64/02/416096402.db2.gz OZMTZIPJILLRLS-JTQLQIEISA-N 1 2 321.377 0.052 10 0 DCAELO COCC[N@@H+]1CCN(S(=O)(=O)CCOC(C)C)C[C@@H]1C ZINC000175119334 416098030 /nfs/dbraw/zinc/09/80/30/416098030.db2.gz ROYQPQIZNULYQC-ZDUSSCGKSA-N 1 2 308.444 0.394 10 0 DCAELO COCC[N@H+]1CCN(S(=O)(=O)CCOC(C)C)C[C@@H]1C ZINC000175119334 416098031 /nfs/dbraw/zinc/09/80/31/416098031.db2.gz ROYQPQIZNULYQC-ZDUSSCGKSA-N 1 2 308.444 0.394 10 0 DCAELO O=C(CNC(=O)c1ccccn1)NCc1ccn2cc[nH+]c2c1 ZINC000178060095 416155959 /nfs/dbraw/zinc/15/59/59/416155959.db2.gz HVGDDJMHWDFAMS-UHFFFAOYSA-N 1 2 309.329 0.776 10 0 DCAELO CC(=O)c1cc(C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)n(C)c1 ZINC000176220121 416122036 /nfs/dbraw/zinc/12/20/36/416122036.db2.gz ZORQLDVBXIZOPH-INIZCTEOSA-N 1 2 323.393 0.041 10 0 DCAELO CC[NH+](CC)CC(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000176670628 416131923 /nfs/dbraw/zinc/13/19/23/416131923.db2.gz XLZDFECAHGJNMB-INIZCTEOSA-N 1 2 310.486 0.957 10 0 DCAELO COc1cc2nc(NC[C@@H](CO)C3CC3)[nH+]c(N)c2cc1OC ZINC000357786345 416132683 /nfs/dbraw/zinc/13/26/83/416132683.db2.gz UHNXYTRENCJWBJ-JTQLQIEISA-N 1 2 318.377 1.082 10 0 DCAELO COC(=O)[C@@H](Nc1cnn(CC[NH+]2CCOCC2)c1)C1CC1 ZINC000357896530 416148905 /nfs/dbraw/zinc/14/89/05/416148905.db2.gz SIQOYXHNKXTWDZ-AWEZNQCLSA-N 1 2 308.382 0.579 10 0 DCAELO O=C(Cc1c[nH]c2cc(F)ccc12)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178628052 416168445 /nfs/dbraw/zinc/16/84/45/416168445.db2.gz BZGHSQTXRWYQPE-AWEZNQCLSA-N 1 2 316.380 0.966 10 0 DCAELO O=C(/C=C/c1cncc(O)c1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000179500369 416189695 /nfs/dbraw/zinc/18/96/95/416189695.db2.gz MXIGRHZQBDOCRC-AWXVTKJVSA-N 1 2 303.362 0.780 10 0 DCAELO CC(C)OCCS(=O)(=O)N1CC[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000181688439 416209364 /nfs/dbraw/zinc/20/93/64/416209364.db2.gz QVCJGSIEJQRNEB-CYBMUJFWSA-N 1 2 316.427 0.121 10 0 DCAELO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2cc(C)[nH]n2)CC1 ZINC000187169338 416260263 /nfs/dbraw/zinc/26/02/63/416260263.db2.gz NNJRKBLAQRCVCQ-ZDUSSCGKSA-N 1 2 309.414 0.381 10 0 DCAELO Cc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c(F)c1 ZINC000190033090 416273181 /nfs/dbraw/zinc/27/31/81/416273181.db2.gz FPIABEAEUOJJHE-GFCCVEGCSA-N 1 2 323.368 0.598 10 0 DCAELO Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c(F)c1 ZINC000190033090 416273184 /nfs/dbraw/zinc/27/31/84/416273184.db2.gz FPIABEAEUOJJHE-GFCCVEGCSA-N 1 2 323.368 0.598 10 0 DCAELO Cc1ccc(Cc2nnn(C[C@@H](O)C[NH+]3CCOCC3)n2)cc1 ZINC000193426565 416316972 /nfs/dbraw/zinc/31/69/72/416316972.db2.gz WHODUENOWBKGAH-HNNXBMFYSA-N 1 2 317.393 0.265 10 0 DCAELO CC(C)n1nnnc1CN1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000195046858 416325250 /nfs/dbraw/zinc/32/52/50/416325250.db2.gz VWZAXOANSKENKW-LBPRGKRZSA-N 1 2 321.429 0.039 10 0 DCAELO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1c[nH]c2c(cnn2C)c1=O ZINC000245609927 416331335 /nfs/dbraw/zinc/33/13/35/416331335.db2.gz NQVVPYQZKMHIBI-QWRGUYRKSA-N 1 2 315.377 0.983 10 0 DCAELO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1c[nH]c2c(cnn2C)c1=O ZINC000245609927 416331336 /nfs/dbraw/zinc/33/13/36/416331336.db2.gz NQVVPYQZKMHIBI-QWRGUYRKSA-N 1 2 315.377 0.983 10 0 DCAELO CC[N@@H+]1CC[C@@H](NS(=O)(=O)c2scnc2C(=O)OC)C1 ZINC000360847968 416413706 /nfs/dbraw/zinc/41/37/06/416413706.db2.gz UEJWCKSJGKJIIU-MRVPVSSYSA-N 1 2 319.408 0.302 10 0 DCAELO CC[N@H+]1CC[C@@H](NS(=O)(=O)c2scnc2C(=O)OC)C1 ZINC000360847968 416413708 /nfs/dbraw/zinc/41/37/08/416413708.db2.gz UEJWCKSJGKJIIU-MRVPVSSYSA-N 1 2 319.408 0.302 10 0 DCAELO CC(=O)[C@@](C)(O)C[N@@H+]1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000459506309 416547881 /nfs/dbraw/zinc/54/78/81/416547881.db2.gz PNCTUOLILDRMFA-HZMBPMFUSA-N 1 2 311.407 0.629 10 0 DCAELO CC(=O)[C@@](C)(O)C[N@H+]1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000459506309 416547883 /nfs/dbraw/zinc/54/78/83/416547883.db2.gz PNCTUOLILDRMFA-HZMBPMFUSA-N 1 2 311.407 0.629 10 0 DCAELO Cn1cc[nH+]c1C[C@@H](NC(=O)CCNC(N)=O)c1ccccc1 ZINC000608478118 416650157 /nfs/dbraw/zinc/65/01/57/416650157.db2.gz UAIBKGDLOCJJGN-CYBMUJFWSA-N 1 2 315.377 0.879 10 0 DCAELO CC(C)(C)[C@H](NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)C(N)=O ZINC000514774653 416674491 /nfs/dbraw/zinc/67/44/91/416674491.db2.gz AFKMYVNRLMVSJG-LLVKDONJSA-N 1 2 317.349 0.289 10 0 DCAELO C[N@@H+]1CCO[C@H](CS(=O)(=O)N2CCC[C@H]2C2CCC2)C1 ZINC000631897290 416783949 /nfs/dbraw/zinc/78/39/49/416783949.db2.gz SNPQXMYZTZGHLW-KBPBESRZSA-N 1 2 302.440 0.911 10 0 DCAELO C[N@H+]1CCO[C@H](CS(=O)(=O)N2CCC[C@H]2C2CCC2)C1 ZINC000631897290 416783954 /nfs/dbraw/zinc/78/39/54/416783954.db2.gz SNPQXMYZTZGHLW-KBPBESRZSA-N 1 2 302.440 0.911 10 0 DCAELO C[C@H]1CCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)[C@H]1CO ZINC000565401152 416972808 /nfs/dbraw/zinc/97/28/08/416972808.db2.gz JIFOZPIXBHUMDA-JQWIXIFHSA-N 1 2 302.334 0.502 10 0 DCAELO CO[C@H]1CCN(S(=O)(=O)C[C@H]2C[N@H+](C)CCO2)CC1(C)C ZINC000632410461 417072458 /nfs/dbraw/zinc/07/24/58/417072458.db2.gz FJCGLCACEQLPMR-OLZOCXBDSA-N 1 2 320.455 0.394 10 0 DCAELO CO[C@H]1CCN(S(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)CC1(C)C ZINC000632410461 417072464 /nfs/dbraw/zinc/07/24/64/417072464.db2.gz FJCGLCACEQLPMR-OLZOCXBDSA-N 1 2 320.455 0.394 10 0 DCAELO COc1cc2c(cc1OC)C[N@H+](CC(=O)NCCCO)CC2 ZINC000448672584 417091377 /nfs/dbraw/zinc/09/13/77/417091377.db2.gz GZPVKONEBYMYAA-UHFFFAOYSA-N 1 2 308.378 0.561 10 0 DCAELO COc1cc2c(cc1OC)C[N@@H+](CC(=O)NCCCO)CC2 ZINC000448672584 417091385 /nfs/dbraw/zinc/09/13/85/417091385.db2.gz GZPVKONEBYMYAA-UHFFFAOYSA-N 1 2 308.378 0.561 10 0 DCAELO CN(C[C@@H]1C[N@H+](C)CCO1)S(=O)(=O)c1ccccc1F ZINC000632629422 417201295 /nfs/dbraw/zinc/20/12/95/417201295.db2.gz SZZLWTUJASFQEL-NSHDSACASA-N 1 2 302.371 0.777 10 0 DCAELO CN(C[C@@H]1C[N@@H+](C)CCO1)S(=O)(=O)c1ccccc1F ZINC000632629422 417201300 /nfs/dbraw/zinc/20/13/00/417201300.db2.gz SZZLWTUJASFQEL-NSHDSACASA-N 1 2 302.371 0.777 10 0 DCAELO C[C@H](O)CC[NH+]1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000439006240 287380602 /nfs/dbraw/zinc/38/06/02/287380602.db2.gz LMKKZNCFCWCHPO-AWEZNQCLSA-N 1 2 312.435 0.905 10 0 DCAELO CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+](C)Cc2cnn(C)c2C)CC1 ZINC000575948906 417564432 /nfs/dbraw/zinc/56/44/32/417564432.db2.gz GXDGGKYGHODOGK-CYBMUJFWSA-N 1 2 321.425 0.240 10 0 DCAELO CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+](C)Cc2cnn(C)c2C)CC1 ZINC000575948906 417564435 /nfs/dbraw/zinc/56/44/35/417564435.db2.gz GXDGGKYGHODOGK-CYBMUJFWSA-N 1 2 321.425 0.240 10 0 DCAELO CC(=O)N1CCN(C(=O)[C@H](C)[N@H+](C)Cc2cnn(C)c2C)CC1 ZINC000575948907 417565750 /nfs/dbraw/zinc/56/57/50/417565750.db2.gz GXDGGKYGHODOGK-ZDUSSCGKSA-N 1 2 321.425 0.240 10 0 DCAELO CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+](C)Cc2cnn(C)c2C)CC1 ZINC000575948907 417565755 /nfs/dbraw/zinc/56/57/55/417565755.db2.gz GXDGGKYGHODOGK-ZDUSSCGKSA-N 1 2 321.425 0.240 10 0 DCAELO CO[C@H]1C[C@@H](C(N)=O)[N@H+](CC(=O)N(C2CC2)C2CCCC2)C1 ZINC000576655015 417628546 /nfs/dbraw/zinc/62/85/46/417628546.db2.gz QESCYVWTNBLCAA-KBPBESRZSA-N 1 2 309.410 0.495 10 0 DCAELO CO[C@H]1C[C@@H](C(N)=O)[N@@H+](CC(=O)N(C2CC2)C2CCCC2)C1 ZINC000576655015 417628552 /nfs/dbraw/zinc/62/85/52/417628552.db2.gz QESCYVWTNBLCAA-KBPBESRZSA-N 1 2 309.410 0.495 10 0 DCAELO CO[C@@H](C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C)C1CC1 ZINC000628575009 417654791 /nfs/dbraw/zinc/65/47/91/417654791.db2.gz FKKXRZYGWUUVBV-CZUORRHYSA-N 1 2 312.410 0.143 10 0 DCAELO CO[C@@H](C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C)C1CC1 ZINC000628575009 417654796 /nfs/dbraw/zinc/65/47/96/417654796.db2.gz FKKXRZYGWUUVBV-CZUORRHYSA-N 1 2 312.410 0.143 10 0 DCAELO OC[C@@H]1CCCN(c2cc(NCCn3ccnn3)[nH+]cn2)C1 ZINC000302192521 230152102 /nfs/dbraw/zinc/15/21/02/230152102.db2.gz RKFHNXOSVKJOQW-GFCCVEGCSA-N 1 2 303.370 0.389 10 0 DCAELO OC[C@@H]1CCCN(c2cc(NCCn3ccnn3)nc[nH+]2)C1 ZINC000302192521 230152108 /nfs/dbraw/zinc/15/21/08/230152108.db2.gz RKFHNXOSVKJOQW-GFCCVEGCSA-N 1 2 303.370 0.389 10 0 DCAELO C[C@@H](CNC(=O)[C@H]1Cc2ccccc2C(=O)O1)[NH+]1CCOCC1 ZINC000046269126 261106489 /nfs/dbraw/zinc/10/64/89/261106489.db2.gz CSTKICWVFDMDGP-SWLSCSKDSA-N 1 2 318.373 0.605 10 0 DCAELO CC(C)Cn1cc[nH+]c1CNC(=O)N1C[C@@H](C)O[C@H](CO)C1 ZINC000189759927 261133362 /nfs/dbraw/zinc/13/33/62/261133362.db2.gz NSWKCDQRIAFDTE-OLZOCXBDSA-N 1 2 310.398 0.830 10 0 DCAELO CC[NH+]1CCN(S(=O)(=O)[C@H]2CCC[C@H]2C(=O)OC)CC1 ZINC000233489550 261153902 /nfs/dbraw/zinc/15/39/02/261153902.db2.gz DXTMGYUYVBKKMA-NEPJUHHUSA-N 1 2 304.412 0.295 10 0 DCAELO O=C(N1CCC[C@@H](OCCO)C1)C1([NH+]2CCOCC2)CCC1 ZINC000363719056 271202973 /nfs/dbraw/zinc/20/29/73/271202973.db2.gz OGDFIMGYLNGQNV-CQSZACIVSA-N 1 2 312.410 0.241 10 0 DCAELO COC(=O)C(C)(C)N1CC[NH+](CC(=O)N(C)CC2CC2)CC1 ZINC000494381483 272220412 /nfs/dbraw/zinc/22/04/12/272220412.db2.gz ANFUXVTXCCTLCD-UHFFFAOYSA-N 1 2 311.426 0.424 10 0 DCAELO CN1C[C@@H](NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCC1=O ZINC000265730653 276977929 /nfs/dbraw/zinc/97/79/29/276977929.db2.gz BKTPBGWERXAERM-NEPJUHHUSA-N 1 2 305.382 0.920 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3nnc4ccccc4n3)C[C@H]21 ZINC000286553007 277129008 /nfs/dbraw/zinc/12/90/08/277129008.db2.gz XJSYGFHYTDBLOO-KGLIPLIRSA-N 1 2 313.361 0.570 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)c3nnc4ccccc4n3)C[C@H]21 ZINC000286553007 277129009 /nfs/dbraw/zinc/12/90/09/277129009.db2.gz XJSYGFHYTDBLOO-KGLIPLIRSA-N 1 2 313.361 0.570 10 0 DCAELO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(C(F)(F)F)[nH]n3)[C@@H]2C1 ZINC000329155539 277179984 /nfs/dbraw/zinc/17/99/84/277179984.db2.gz BQRUMBCGSAPOEZ-NXEZZACHSA-N 1 2 318.299 0.974 10 0 DCAELO C[N@H+]1CC[C@H]2OCCN(C(=O)c3cc(C(F)(F)F)[nH]n3)[C@@H]2C1 ZINC000329155539 277179985 /nfs/dbraw/zinc/17/99/85/277179985.db2.gz BQRUMBCGSAPOEZ-NXEZZACHSA-N 1 2 318.299 0.974 10 0 DCAELO COc1cc(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)ncn1 ZINC000285897332 277384016 /nfs/dbraw/zinc/38/40/16/277384016.db2.gz JNYWSVSETNEDNP-MNOVXSKESA-N 1 2 307.354 0.422 10 0 DCAELO COc1cc(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)ncn1 ZINC000285897332 277384017 /nfs/dbraw/zinc/38/40/17/277384017.db2.gz JNYWSVSETNEDNP-MNOVXSKESA-N 1 2 307.354 0.422 10 0 DCAELO CC1=CC[N@H+](CCNC(=O)NC[C@H](C)S(C)(=O)=O)CC1 ZINC000545859675 288002626 /nfs/dbraw/zinc/00/26/26/288002626.db2.gz ZFJKMRYNJODVGM-LBPRGKRZSA-N 1 2 303.428 0.371 10 0 DCAELO CC1=CC[N@@H+](CCNC(=O)NC[C@H](C)S(C)(=O)=O)CC1 ZINC000545859675 288002628 /nfs/dbraw/zinc/00/26/28/288002628.db2.gz ZFJKMRYNJODVGM-LBPRGKRZSA-N 1 2 303.428 0.371 10 0 DCAELO CC(C)C[C@H]1COCC[N@@H+]1CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000247033527 279220147 /nfs/dbraw/zinc/22/01/47/279220147.db2.gz REPDCJHNSKRTGL-KGLIPLIRSA-N 1 2 311.426 0.457 10 0 DCAELO CC(C)C[C@H]1COCC[N@H+]1CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000247033527 279220148 /nfs/dbraw/zinc/22/01/48/279220148.db2.gz REPDCJHNSKRTGL-KGLIPLIRSA-N 1 2 311.426 0.457 10 0 DCAELO C[N@@H+](CC(=O)OC(C)(C)C)C[C@@H](O)COC[C@H]1CCCO1 ZINC000548909116 288186362 /nfs/dbraw/zinc/18/63/62/288186362.db2.gz UBFRUBPYTFBQIQ-CHWSQXEVSA-N 1 2 303.399 0.816 10 0 DCAELO C[N@H+](CC(=O)OC(C)(C)C)C[C@@H](O)COC[C@H]1CCCO1 ZINC000548909116 288186368 /nfs/dbraw/zinc/18/63/68/288186368.db2.gz UBFRUBPYTFBQIQ-CHWSQXEVSA-N 1 2 303.399 0.816 10 0 DCAELO CC(C)[C@@H]1N(C(=O)NC[C@@H]2C[N@H+](C)CCO2)C[C@]12CCCO2 ZINC000333784164 280046295 /nfs/dbraw/zinc/04/62/95/280046295.db2.gz WBVLDJNJDCDHAL-IJEWVQPXSA-N 1 2 311.426 0.916 10 0 DCAELO CC(C)[C@@H]1N(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C[C@]12CCCO2 ZINC000333784164 280046296 /nfs/dbraw/zinc/04/62/96/280046296.db2.gz WBVLDJNJDCDHAL-IJEWVQPXSA-N 1 2 311.426 0.916 10 0 DCAELO COC(=O)C1([NH2+]C[C@@H](O)COC[C@@H]2CCCO2)CCCC1 ZINC000556759144 288391664 /nfs/dbraw/zinc/39/16/64/288391664.db2.gz GHIBIRLOAWIQCI-OLZOCXBDSA-N 1 2 301.383 0.618 10 0 DCAELO COC[C@H](NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)C1CC1 ZINC000561014942 288524049 /nfs/dbraw/zinc/52/40/49/288524049.db2.gz APWLRMYQXIIVKX-LBPRGKRZSA-N 1 2 302.334 0.814 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc4n(n3)CCCO4)C[C@@H]21 ZINC000328871415 290084454 /nfs/dbraw/zinc/08/44/54/290084454.db2.gz IJGWUARMUKIVII-QWHCGFSZSA-N 1 2 306.366 0.211 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc4n(n3)CCCO4)C[C@@H]21 ZINC000328871415 290084459 /nfs/dbraw/zinc/08/44/59/290084459.db2.gz IJGWUARMUKIVII-QWHCGFSZSA-N 1 2 306.366 0.211 10 0 DCAELO 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ZINC000190863067 300056755 /nfs/dbraw/zinc/05/67/55/300056755.db2.gz GLJPLXHIHGNOGC-YUMQZZPRSA-N 1 2 306.292 0.321 10 0 DCAELO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1nnnn1CC(F)(F)F ZINC000190863067 300056759 /nfs/dbraw/zinc/05/67/59/300056759.db2.gz GLJPLXHIHGNOGC-YUMQZZPRSA-N 1 2 306.292 0.321 10 0 DCAELO NC(=O)NC(=O)CCC[N@@H+]1CCN(c2cccs2)C(=O)C1 ZINC000186111154 303266828 /nfs/dbraw/zinc/26/68/28/303266828.db2.gz BHKCOMGPFVKJPC-UHFFFAOYSA-N 1 2 310.379 0.372 10 0 DCAELO NC(=O)NC(=O)CCC[N@H+]1CCN(c2cccs2)C(=O)C1 ZINC000186111154 303266829 /nfs/dbraw/zinc/26/68/29/303266829.db2.gz BHKCOMGPFVKJPC-UHFFFAOYSA-N 1 2 310.379 0.372 10 0 DCAELO C[C@@H]1CN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)[C@H](C)CO1 ZINC000582160208 335592289 /nfs/dbraw/zinc/59/22/89/335592289.db2.gz CDKODCQAMHYZKA-GHMZBOCLSA-N 1 2 302.334 0.909 10 0 DCAELO CC(=O)N1CC(C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)C1 ZINC000188445969 519488639 /nfs/dbraw/zinc/48/86/39/519488639.db2.gz TWBLXYZNSBJJKE-UHFFFAOYSA-N 1 2 304.394 0.907 10 0 DCAELO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000248878633 521886495 /nfs/dbraw/zinc/88/64/95/521886495.db2.gz ORUSGYFYPDXNEK-MNOVXSKESA-N 1 2 306.428 0.730 10 0 DCAELO CC[C@@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000248878633 521886506 /nfs/dbraw/zinc/88/65/06/521886506.db2.gz ORUSGYFYPDXNEK-MNOVXSKESA-N 1 2 306.428 0.730 10 0 DCAELO NC(=O)NC(=O)C[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000157673311 526925334 /nfs/dbraw/zinc/92/53/34/526925334.db2.gz ZVEHRZCECAKPMS-NSHDSACASA-N 1 2 307.325 0.915 10 0 DCAELO NC(=O)NC(=O)C[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000157673311 526925338 /nfs/dbraw/zinc/92/53/38/526925338.db2.gz ZVEHRZCECAKPMS-NSHDSACASA-N 1 2 307.325 0.915 10 0 DCAELO O=C(NC1C[NH+](C[C@H](O)COCc2cccs2)C1)C1CC1 ZINC000187982669 527543754 /nfs/dbraw/zinc/54/37/54/527543754.db2.gz CPPVTZOMJHRECL-ZDUSSCGKSA-N 1 2 310.419 0.836 10 0 DCAELO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)C[C@@H]2CCCCO2)CC1 ZINC000182407633 529229378 /nfs/dbraw/zinc/22/93/78/529229378.db2.gz DUULNWOFCZMFBH-KGLIPLIRSA-N 1 2 320.455 0.274 10 0 DCAELO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)C2CC=CC2)CC1 ZINC000076997051 545679115 /nfs/dbraw/zinc/67/91/15/545679115.db2.gz OWSHJLNESYWNIS-CQSZACIVSA-N 1 2 321.421 0.344 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc(N)cc2F)C1 ZINC000091662468 545719036 /nfs/dbraw/zinc/71/90/36/545719036.db2.gz UIYWQCZZOYQGNA-JTQLQIEISA-N 1 2 303.359 0.017 10 0 DCAELO C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc(N)cc2F)C1 ZINC000091662468 545719043 /nfs/dbraw/zinc/71/90/43/545719043.db2.gz UIYWQCZZOYQGNA-JTQLQIEISA-N 1 2 303.359 0.017 10 0 DCAELO COCCCNC(=O)[C@@H](C)[NH+]1CCN(Cc2cncnc2)CC1 ZINC000131487931 545790928 /nfs/dbraw/zinc/79/09/28/545790928.db2.gz FTSSAZNTQJFBHC-CQSZACIVSA-N 1 2 321.425 0.135 10 0 DCAELO CCc1cc(C(=O)NC[C@H](O)C[NH+]2CCOCC2)oc1CC ZINC000132370883 545792530 /nfs/dbraw/zinc/79/25/30/545792530.db2.gz YKYGUDVFNNQSJB-ZDUSSCGKSA-N 1 2 310.394 0.827 10 0 DCAELO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H]1CC(=O)N(C3CC3)C1)C2 ZINC000164471371 545876334 /nfs/dbraw/zinc/87/63/34/545876334.db2.gz IQEPDSFMYBXOBT-QWRGUYRKSA-N 1 2 302.378 0.703 10 0 DCAELO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H]1CC(=O)N(C3CC3)C1)CC2 ZINC000164471371 545876337 /nfs/dbraw/zinc/87/63/37/545876337.db2.gz IQEPDSFMYBXOBT-QWRGUYRKSA-N 1 2 302.378 0.703 10 0 DCAELO Cc1cc(NC(=O)C[N@@H+]2CC[C@@H](N3CCOCC3)C2)n(C)n1 ZINC000173934945 545884349 /nfs/dbraw/zinc/88/43/49/545884349.db2.gz WCZKLIUBCRZDHD-CYBMUJFWSA-N 1 2 307.398 0.074 10 0 DCAELO Cc1cc(NC(=O)C[N@H+]2CC[C@@H](N3CCOCC3)C2)n(C)n1 ZINC000173934945 545884353 /nfs/dbraw/zinc/88/43/53/545884353.db2.gz WCZKLIUBCRZDHD-CYBMUJFWSA-N 1 2 307.398 0.074 10 0 DCAELO Cc1cc(NC(=O)CN2CC[C@@H]([NH+]3CCOCC3)C2)n(C)n1 ZINC000173934945 545884356 /nfs/dbraw/zinc/88/43/56/545884356.db2.gz WCZKLIUBCRZDHD-CYBMUJFWSA-N 1 2 307.398 0.074 10 0 DCAELO O=S(=O)(C[C@@H]1CCCCO1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173998775 545884721 /nfs/dbraw/zinc/88/47/21/545884721.db2.gz ARFKMILWNNUNRF-KBPBESRZSA-N 1 2 318.439 0.292 10 0 DCAELO CC[C@]1(C)C[N@@H+]([C@H](C)C(=O)N(C)CC(=O)NC2CC2)CCO1 ZINC000248994306 545970032 /nfs/dbraw/zinc/97/00/32/545970032.db2.gz XSJVFBODXLEUAS-MLGOLLRUSA-N 1 2 311.426 0.613 10 0 DCAELO CC[C@]1(C)C[N@H+]([C@H](C)C(=O)N(C)CC(=O)NC2CC2)CCO1 ZINC000248994306 545970040 /nfs/dbraw/zinc/97/00/40/545970040.db2.gz XSJVFBODXLEUAS-MLGOLLRUSA-N 1 2 311.426 0.613 10 0 DCAELO COCC[N@@H+]1CC[C@@H](N[C@@H]2CON(C(=O)OC(C)(C)C)C2)C1 ZINC000722503556 661283359 /nfs/dbraw/zinc/28/33/59/661283359.db2.gz WCUCOQZZPYHUIG-OLZOCXBDSA-N 1 2 315.414 0.848 10 0 DCAELO COCC[N@H+]1CC[C@@H](N[C@@H]2CON(C(=O)OC(C)(C)C)C2)C1 ZINC000722503556 661283361 /nfs/dbraw/zinc/28/33/61/661283361.db2.gz WCUCOQZZPYHUIG-OLZOCXBDSA-N 1 2 315.414 0.848 10 0 DCAELO CCN1C(=O)CN(C[N@@H+]2CCC[C@@H]2Cn2ccnc2C)C1=O ZINC000176076714 657799459 /nfs/dbraw/zinc/79/94/59/657799459.db2.gz UUSAHWVCPSLLJC-CYBMUJFWSA-N 1 2 305.382 0.898 10 0 DCAELO CCN1C(=O)CN(C[N@H+]2CCC[C@@H]2Cn2ccnc2C)C1=O ZINC000176076714 657799467 /nfs/dbraw/zinc/79/94/67/657799467.db2.gz UUSAHWVCPSLLJC-CYBMUJFWSA-N 1 2 305.382 0.898 10 0 DCAELO COCc1nn(CN2CCc3c([nH+]c(C(C)C)n3C)C2)c(=O)o1 ZINC000119738761 658240434 /nfs/dbraw/zinc/24/04/34/658240434.db2.gz OVXSKMIKGLMHRR-UHFFFAOYSA-N 1 2 321.381 0.855 10 0 DCAELO COC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)O1 ZINC000188262897 658490703 /nfs/dbraw/zinc/49/07/03/658490703.db2.gz LENDIHHPERTSAP-UPJWGTAASA-N 1 2 307.350 0.595 10 0 DCAELO CCCCNC(=O)[C@H]1CCC[N@H+](Cn2cc(C(=O)OC)nn2)C1 ZINC000050901487 658501185 /nfs/dbraw/zinc/50/11/85/658501185.db2.gz DWYKNVJLUYYMCN-LBPRGKRZSA-N 1 2 323.397 0.651 10 0 DCAELO CCCCNC(=O)[C@H]1CCC[N@@H+](Cn2cc(C(=O)OC)nn2)C1 ZINC000050901487 658501190 /nfs/dbraw/zinc/50/11/90/658501190.db2.gz DWYKNVJLUYYMCN-LBPRGKRZSA-N 1 2 323.397 0.651 10 0 DCAELO CS(=O)(=O)c1ccc(CNC(=O)C[C@H]([NH3+])C(F)F)cc1 ZINC000724716866 658923122 /nfs/dbraw/zinc/92/31/22/658923122.db2.gz RVWUBQVCQBWVCJ-JTQLQIEISA-N 1 2 306.334 0.689 10 0 DCAELO CN(C[C@H]1CCn2cc[nH+]c2C1)C(=O)c1cccn2nnnc12 ZINC000897473049 662769663 /nfs/dbraw/zinc/76/96/63/662769663.db2.gz QJUWFBQDLXRKHP-NSHDSACASA-N 1 2 311.349 0.655 10 0 DCAELO C/C(=C/C(=O)N1CC[C@@H](n2ccnn2)C1)C[NH+]1CCOCC1 ZINC000911823588 664112772 /nfs/dbraw/zinc/11/27/72/664112772.db2.gz QZIXBKXCVVEEOE-QLKUMGTLSA-N 1 2 305.382 0.330 10 0 DCAELO Cc1noc(C)c1C[NH+]1CCN(CN2CCOC2=S)CC1 ZINC000064111581 664640708 /nfs/dbraw/zinc/64/07/08/664640708.db2.gz ILBSCQLVQGDVES-UHFFFAOYSA-N 1 2 310.423 0.984 10 0 DCAELO COC(=O)c1occc1C[NH2+]C(C)(C)CNS(C)(=O)=O ZINC000708371853 667443103 /nfs/dbraw/zinc/44/31/03/667443103.db2.gz ITBIEEXPSORUAR-UHFFFAOYSA-N 1 2 304.368 0.484 10 0 DCAELO CS(=O)(=O)C1(C[NH2+]Cc2nc(Br)c[nH]2)CC1 ZINC000393679543 685264674 /nfs/dbraw/zinc/26/46/74/685264674.db2.gz SFVHWPDRJNDHKF-UHFFFAOYSA-N 1 2 308.201 0.839 10 0 DCAELO O=C(N[C@H]1CC(=O)N(C2CC2)C1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000177597555 685148233 /nfs/dbraw/zinc/14/82/33/685148233.db2.gz LNIGFRKXZIEODC-JSGCOSHPSA-N 1 2 317.393 0.820 10 0 DCAELO CC[C@H]1CN(CCS(=O)(=O)C(C)C)CC[N@@H+]1C[C@H](C)O ZINC000246971127 685168782 /nfs/dbraw/zinc/16/87/82/685168782.db2.gz JCGQJDWJUGXEFL-KBPBESRZSA-N 1 2 306.472 0.587 10 0 DCAELO CC[C@H]1CN(CCS(=O)(=O)C(C)C)CC[N@H+]1C[C@H](C)O ZINC000246971127 685168786 /nfs/dbraw/zinc/16/87/86/685168786.db2.gz JCGQJDWJUGXEFL-KBPBESRZSA-N 1 2 306.472 0.587 10 0 DCAELO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)N2CCC[C@H](C)C2)CC1 ZINC000182408159 529701267 /nfs/dbraw/zinc/70/12/67/529701267.db2.gz SWWZCOOIEQVFIF-KBPBESRZSA-N 1 2 319.471 0.352 10 0 DCAELO CN(C)c1noc(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)n1 ZINC000185244937 529818299 /nfs/dbraw/zinc/81/82/99/529818299.db2.gz BHSNOHSWQHGGDO-UHFFFAOYSA-N 1 2 323.397 0.206 10 0 DCAELO O=C([O-])[C@H]1CN(C(=O)c2ccccc2-c2[nH]cc[nH+]2)CC[NH2+]1 ZINC000071763943 191027143 /nfs/dbraw/zinc/02/71/43/191027143.db2.gz XGGDLVPNESTBCP-GFCCVEGCSA-N 1 2 300.318 0.575 10 0 DCAELO C[C@@H](CNC(=O)Nc1cccc(N(C)C)n1)[NH+]1CCOCC1 ZINC000181932628 186220351 /nfs/dbraw/zinc/22/03/51/186220351.db2.gz VQYTVHNSYXVAAG-LBPRGKRZSA-N 1 2 307.398 0.990 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)[C@H](C)COC)nc[nH+]1 ZINC000173428103 198213798 /nfs/dbraw/zinc/21/37/98/198213798.db2.gz MJXCJWHRJDMTET-NEPJUHHUSA-N 1 2 307.398 0.886 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)[C@H](C)COC)[nH+]cn1 ZINC000173428103 198213799 /nfs/dbraw/zinc/21/37/99/198213799.db2.gz MJXCJWHRJDMTET-NEPJUHHUSA-N 1 2 307.398 0.886 10 0 DCAELO C[C@@H]1CN(C(=O)c2cc(N(C)C)ccn2)C[C@@H]1[NH+]1CCOCC1 ZINC000173979675 198276422 /nfs/dbraw/zinc/27/64/22/198276422.db2.gz FEFAYASBNHMTBE-CJNGLKHVSA-N 1 2 318.421 0.940 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)Nc3nc4ccccn4n3)C[C@@H]21 ZINC000285431657 283027463 /nfs/dbraw/zinc/02/74/63/283027463.db2.gz JFDJMMZPSCMJKR-RYUDHWBXSA-N 1 2 316.365 0.666 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3nc4ccccn4n3)C[C@@H]21 ZINC000285431657 283027466 /nfs/dbraw/zinc/02/74/66/283027466.db2.gz JFDJMMZPSCMJKR-RYUDHWBXSA-N 1 2 316.365 0.666 10 0 DCAELO Cc1nc(N2CCN(C[C@H](C)CS(C)(=O)=O)CC2)cc[nH+]1 ZINC000183772301 199640401 /nfs/dbraw/zinc/64/04/01/199640401.db2.gz JQTGEQPHGAEPHC-LBPRGKRZSA-N 1 2 312.439 0.588 10 0 DCAELO C[C@H]1CN(C(=O)c2ccc(C(N)=O)s2)C[C@@H]1[NH+]1CCOCC1 ZINC000173962778 237169687 /nfs/dbraw/zinc/16/96/87/237169687.db2.gz GSAAQNBVXNNRJE-QWRGUYRKSA-N 1 2 323.418 0.640 10 0 DCAELO C[C@H]1CN(C(=O)c2ncn(-c3ccccc3)n2)CC[N@@H+]1CCO ZINC000187129761 237340642 /nfs/dbraw/zinc/34/06/42/237340642.db2.gz CXPRRGXEBLUZHM-ZDUSSCGKSA-N 1 2 315.377 0.406 10 0 DCAELO C[C@H]1CN(C(=O)c2ncn(-c3ccccc3)n2)CC[N@H+]1CCO ZINC000187129761 237340654 /nfs/dbraw/zinc/34/06/54/237340654.db2.gz CXPRRGXEBLUZHM-ZDUSSCGKSA-N 1 2 315.377 0.406 10 0 DCAELO CCOCCNC(=O)C[N@@H+]1CCN(CC(F)F)[C@H](CC)C1 ZINC000153740339 291208224 /nfs/dbraw/zinc/20/82/24/291208224.db2.gz NMDPBBXOTGTDQM-GFCCVEGCSA-N 1 2 307.385 0.800 10 0 DCAELO CCOCCNC(=O)C[N@H+]1CCN(CC(F)F)[C@H](CC)C1 ZINC000153740339 291208225 /nfs/dbraw/zinc/20/82/25/291208225.db2.gz NMDPBBXOTGTDQM-GFCCVEGCSA-N 1 2 307.385 0.800 10 0 DCAELO CCn1cc[nH+]c1CN1C(=O)N[C@@](C)(c2cnn(C)c2)C1=O ZINC000153794573 291208715 /nfs/dbraw/zinc/20/87/15/291208715.db2.gz GXEWYNVZZUINOV-AWEZNQCLSA-N 1 2 302.338 0.604 10 0 DCAELO C[C@H]1CN(S(=O)(=O)Cc2ccccc2F)CC[N@@H+]1CCO ZINC000188719483 200292692 /nfs/dbraw/zinc/29/26/92/200292692.db2.gz FDNLOJYIRSQVNF-LBPRGKRZSA-N 1 2 316.398 0.654 10 0 DCAELO C[C@H]1CN(S(=O)(=O)Cc2ccccc2F)CC[N@H+]1CCO ZINC000188719483 200292694 /nfs/dbraw/zinc/29/26/94/200292694.db2.gz FDNLOJYIRSQVNF-LBPRGKRZSA-N 1 2 316.398 0.654 10 0 DCAELO O=C(NC1CC1)c1cccc(OC[C@H](O)C[NH+]2CCOCC2)c1 ZINC000154282633 291212021 /nfs/dbraw/zinc/21/20/21/291212021.db2.gz UQCRQGSJMFWOLK-OAHLLOKOSA-N 1 2 320.389 0.651 10 0 DCAELO CCOc1cccc(CN2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)c1 ZINC000275866659 238315566 /nfs/dbraw/zinc/31/55/66/238315566.db2.gz XVVAHVPTZGUTMX-INIZCTEOSA-N 1 2 321.421 0.703 10 0 DCAELO CCOc1cccc(CN2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)c1 ZINC000275866659 238315569 /nfs/dbraw/zinc/31/55/69/238315569.db2.gz XVVAHVPTZGUTMX-INIZCTEOSA-N 1 2 321.421 0.703 10 0 DCAELO CCOc1cccc(C[N@@H+]2CCO[C@@H](CN(C)CC(N)=O)C2)c1 ZINC000275866659 238315573 /nfs/dbraw/zinc/31/55/73/238315573.db2.gz XVVAHVPTZGUTMX-INIZCTEOSA-N 1 2 321.421 0.703 10 0 DCAELO CCOc1cccc(C[N@H+]2CCO[C@@H](CN(C)CC(N)=O)C2)c1 ZINC000275866659 238315578 /nfs/dbraw/zinc/31/55/78/238315578.db2.gz XVVAHVPTZGUTMX-INIZCTEOSA-N 1 2 321.421 0.703 10 0 DCAELO CS(=O)(=O)NCCN1CCC[C@@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000328651129 291259983 /nfs/dbraw/zinc/25/99/83/291259983.db2.gz VWGZTRHOQDWCKF-CYBMUJFWSA-N 1 2 312.439 0.975 10 0 DCAELO O=C(Nc1cccnc1Cl)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000091213669 193020553 /nfs/dbraw/zinc/02/05/53/193020553.db2.gz YXLITFINIRJLDO-UHFFFAOYSA-N 1 2 308.769 0.980 10 0 DCAELO COC(=O)[C@H](c1cccnc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000246074537 284308593 /nfs/dbraw/zinc/30/85/93/284308593.db2.gz DYWAXQLFOVHSPO-CABCVRRESA-N 1 2 305.378 0.702 10 0 DCAELO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)CC(F)(F)F)[C@@H](C)C1 ZINC000408397618 296186247 /nfs/dbraw/zinc/18/62/47/296186247.db2.gz YXCLKVLHZKBHED-DTWKUNHWSA-N 1 2 304.334 0.265 10 0 DCAELO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)CC(F)(F)F)[C@@H](C)C1 ZINC000408397618 296186250 /nfs/dbraw/zinc/18/62/50/296186250.db2.gz YXCLKVLHZKBHED-DTWKUNHWSA-N 1 2 304.334 0.265 10 0 DCAELO COCc1cccc(CNC(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000104788466 194040604 /nfs/dbraw/zinc/04/06/04/194040604.db2.gz WDQANBMMEBFFET-HNNXBMFYSA-N 1 2 307.394 0.963 10 0 DCAELO COCc1cccc(CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000104788466 194040605 /nfs/dbraw/zinc/04/06/05/194040605.db2.gz WDQANBMMEBFFET-HNNXBMFYSA-N 1 2 307.394 0.963 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000104799647 194041881 /nfs/dbraw/zinc/04/18/81/194041881.db2.gz JQOQVRYPQSZPND-MRXNPFEDSA-N 1 2 318.421 0.849 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000104799647 194041884 /nfs/dbraw/zinc/04/18/84/194041884.db2.gz JQOQVRYPQSZPND-MRXNPFEDSA-N 1 2 318.421 0.849 10 0 DCAELO C[C@H](C(=O)N(C)C)[NH+]1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105911762 194167741 /nfs/dbraw/zinc/16/77/41/194167741.db2.gz KJSFVWFULJZJLF-ZBFHGGJFSA-N 1 2 305.422 0.814 10 0 DCAELO C[C@@H](CNC(=O)c1ccccc1-n1cnnn1)[NH+]1CCOCC1 ZINC000105994791 194178046 /nfs/dbraw/zinc/17/80/46/194178046.db2.gz BAEZCEJDVRODTE-LBPRGKRZSA-N 1 2 316.365 0.113 10 0 DCAELO CC(C)c1[nH+]c2c(n1C)CCN(CC(=O)N1CCNC1=O)C2 ZINC000106372595 194202654 /nfs/dbraw/zinc/20/26/54/194202654.db2.gz MFWXIACXDOSNJF-UHFFFAOYSA-N 1 2 305.382 0.453 10 0 DCAELO CN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCCN1c1nccs1 ZINC000110690204 194350864 /nfs/dbraw/zinc/35/08/64/194350864.db2.gz BXBHJYFGARQKDA-CYBMUJFWSA-N 1 2 324.450 0.903 10 0 DCAELO O=C1NC2(CCCC2)C(=O)N1CC[N@@H+]1CCc2cncnc2C1 ZINC000329638293 296352333 /nfs/dbraw/zinc/35/23/33/296352333.db2.gz YXZBBQYXEXUQOT-UHFFFAOYSA-N 1 2 315.377 0.904 10 0 DCAELO O=C1NC2(CCCC2)C(=O)N1CC[N@H+]1CCc2cncnc2C1 ZINC000329638293 296352335 /nfs/dbraw/zinc/35/23/35/296352335.db2.gz YXZBBQYXEXUQOT-UHFFFAOYSA-N 1 2 315.377 0.904 10 0 DCAELO CN(Cc1ccccn1)C(=O)[C@H]1COC2(C[NH+](C)C2)CN1C ZINC000248151603 257108056 /nfs/dbraw/zinc/10/80/56/257108056.db2.gz XPWUOGUHLQUIHU-CQSZACIVSA-N 1 2 304.394 0.055 10 0 DCAELO COCCC1(C(=O)NC[C@H](O)C[NH+]2CCOCC2)CCCC1 ZINC000132786897 545794367 /nfs/dbraw/zinc/79/43/67/545794367.db2.gz XUHGJUYTGDJTOG-AWEZNQCLSA-N 1 2 314.426 0.393 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)NCCCn3cccn3)C[C@@H]21 ZINC000284189381 131058089 /nfs/dbraw/zinc/05/80/89/131058089.db2.gz YDWNYWZRXDIBFC-KBPBESRZSA-N 1 2 307.398 0.388 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)NCCCn3cccn3)C[C@@H]21 ZINC000284189381 131058090 /nfs/dbraw/zinc/05/80/90/131058090.db2.gz YDWNYWZRXDIBFC-KBPBESRZSA-N 1 2 307.398 0.388 10 0 DCAELO CCn1nc(C(=O)N2CC[NH+](C)CC2)c(=O)c2ccccc21 ZINC000040790258 395734828 /nfs/dbraw/zinc/73/48/28/395734828.db2.gz NFPDMFFOXVRJNO-UHFFFAOYSA-N 1 2 300.362 0.804 10 0 DCAELO CCCn1nccc1NC(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000194769470 395807699 /nfs/dbraw/zinc/80/76/99/395807699.db2.gz WKOOXTBYCXTOCC-LBPRGKRZSA-N 1 2 311.386 0.108 10 0 DCAELO NC(=O)N1CCC[N@H+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000111688386 395812463 /nfs/dbraw/zinc/81/24/63/395812463.db2.gz LAJPMAQWMIPLTR-UONOGXRCSA-N 1 2 324.425 0.243 10 0 DCAELO NC(=O)N1CCC[N@@H+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000111688386 395812464 /nfs/dbraw/zinc/81/24/64/395812464.db2.gz LAJPMAQWMIPLTR-UONOGXRCSA-N 1 2 324.425 0.243 10 0 DCAELO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CNC(=O)C1)c1c(F)cccc1F ZINC000115412645 395839815 /nfs/dbraw/zinc/83/98/15/395839815.db2.gz UTQYLUSLBWECKQ-CABZTGNLSA-N 1 2 311.332 0.820 10 0 DCAELO COc1ccc(C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)cc1F ZINC000116888688 395847884 /nfs/dbraw/zinc/84/78/84/395847884.db2.gz VQWGMUQVPJXGQB-NSHDSACASA-N 1 2 302.371 0.958 10 0 DCAELO COc1ccc(C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)cc1F ZINC000116888688 395847886 /nfs/dbraw/zinc/84/78/86/395847886.db2.gz VQWGMUQVPJXGQB-NSHDSACASA-N 1 2 302.371 0.958 10 0 DCAELO COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)NCCn1cc[nH+]c1 ZINC000234618095 395890044 /nfs/dbraw/zinc/89/00/44/395890044.db2.gz ZIZYLYJIWFHPIB-WDEREUQCSA-N 1 2 301.368 0.144 10 0 DCAELO O=C(C[N@@H+]1CCc2n[nH]cc2C1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000125777459 395905626 /nfs/dbraw/zinc/90/56/26/395905626.db2.gz RNMYFRGRSFNRKS-LSDHHAIUSA-N 1 2 304.394 0.938 10 0 DCAELO O=C(C[N@H+]1CCc2n[nH]cc2C1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000125777459 395905629 /nfs/dbraw/zinc/90/56/29/395905629.db2.gz RNMYFRGRSFNRKS-LSDHHAIUSA-N 1 2 304.394 0.938 10 0 DCAELO Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+]1CCNC(=O)CC1 ZINC000119232745 395867749 /nfs/dbraw/zinc/86/77/49/395867749.db2.gz KHDDWOHMTLRZQW-UHFFFAOYSA-N 1 2 320.315 0.992 10 0 DCAELO Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+]1CCNC(=O)CC1 ZINC000119232745 395867751 /nfs/dbraw/zinc/86/77/51/395867751.db2.gz KHDDWOHMTLRZQW-UHFFFAOYSA-N 1 2 320.315 0.992 10 0 DCAELO COc1ccncc1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000119643941 395874051 /nfs/dbraw/zinc/87/40/51/395874051.db2.gz OEFLXGNSDJYNIA-UHFFFAOYSA-N 1 2 304.350 0.335 10 0 DCAELO O[C@@H](CNc1nnc(-c2ccccn2)s1)C[NH+]1CCOCC1 ZINC000273549835 395928819 /nfs/dbraw/zinc/92/88/19/395928819.db2.gz AESABQMFPXWTHO-NSHDSACASA-N 1 2 321.406 0.705 10 0 DCAELO CC(C)[C@H](NC(=O)NCc1cccnc1-n1cc[nH+]c1)C(N)=O ZINC000134690493 395933740 /nfs/dbraw/zinc/93/37/40/395933740.db2.gz KCXCBFWHBFAWFH-LBPRGKRZSA-N 1 2 316.365 0.576 10 0 DCAELO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CCNS(C)(=O)=O ZINC000245924401 395938565 /nfs/dbraw/zinc/93/85/65/395938565.db2.gz NPZDLSKBTLZZKM-UTUOFQBUSA-N 1 2 304.412 0.342 10 0 DCAELO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CCNS(C)(=O)=O ZINC000245924401 395938566 /nfs/dbraw/zinc/93/85/66/395938566.db2.gz NPZDLSKBTLZZKM-UTUOFQBUSA-N 1 2 304.412 0.342 10 0 DCAELO C[C@@H]1C[N@H+](Cc2nnc(C3CC3)n2C)C[C@H]1N1CCOCC1 ZINC000246428223 395949993 /nfs/dbraw/zinc/94/99/93/395949993.db2.gz LARVBZPQZOAYLH-TZMCWYRMSA-N 1 2 305.426 0.845 10 0 DCAELO C[C@@H]1C[N@@H+](Cc2nnc(C3CC3)n2C)C[C@H]1N1CCOCC1 ZINC000246428223 395949995 /nfs/dbraw/zinc/94/99/95/395949995.db2.gz LARVBZPQZOAYLH-TZMCWYRMSA-N 1 2 305.426 0.845 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H](O)c2ccc(F)cc2)C1 ZINC000246553402 395952775 /nfs/dbraw/zinc/95/27/75/395952775.db2.gz YLEPMXGHYFJEOH-ZIAGYGMSSA-N 1 2 311.357 0.489 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)NC[C@@H](O)c2ccc(F)cc2)C1 ZINC000246553402 395952776 /nfs/dbraw/zinc/95/27/76/395952776.db2.gz YLEPMXGHYFJEOH-ZIAGYGMSSA-N 1 2 311.357 0.489 10 0 DCAELO CCOCCN1CC[N@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]1C ZINC000246659027 395954916 /nfs/dbraw/zinc/95/49/16/395954916.db2.gz WCRKFFQAQXEVNW-UONOGXRCSA-N 1 2 306.472 0.710 10 0 DCAELO CCOCCN1CC[N@@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]1C ZINC000246659027 395954917 /nfs/dbraw/zinc/95/49/17/395954917.db2.gz WCRKFFQAQXEVNW-UONOGXRCSA-N 1 2 306.472 0.710 10 0 DCAELO CCOCC[N@@H+]1CCN(C[C@H](C)CS(C)(=O)=O)C[C@H]1C ZINC000246659027 395954919 /nfs/dbraw/zinc/95/49/19/395954919.db2.gz WCRKFFQAQXEVNW-UONOGXRCSA-N 1 2 306.472 0.710 10 0 DCAELO CCOCC[N@H+]1CCN(C[C@H](C)CS(C)(=O)=O)C[C@H]1C ZINC000246659027 395954920 /nfs/dbraw/zinc/95/49/20/395954920.db2.gz WCRKFFQAQXEVNW-UONOGXRCSA-N 1 2 306.472 0.710 10 0 DCAELO CN(C1CC[NH+](CC(=O)NC(C)(C)C)CC1)S(C)(=O)=O ZINC000058922921 395957747 /nfs/dbraw/zinc/95/77/47/395957747.db2.gz PTFIYSYYHLRCHS-UHFFFAOYSA-N 1 2 305.444 0.257 10 0 DCAELO C[C@@H](C(=O)NCC(F)(F)F)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000247208373 395968485 /nfs/dbraw/zinc/96/84/85/395968485.db2.gz UZTAUMJQGHALPV-WDEREUQCSA-N 1 2 309.332 0.460 10 0 DCAELO C[C@@H](C(=O)NCC(F)(F)F)[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000247208373 395968486 /nfs/dbraw/zinc/96/84/86/395968486.db2.gz UZTAUMJQGHALPV-WDEREUQCSA-N 1 2 309.332 0.460 10 0 DCAELO C[C@@H](C(=O)NCC(F)(F)F)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000247208373 395968489 /nfs/dbraw/zinc/96/84/89/395968489.db2.gz UZTAUMJQGHALPV-WDEREUQCSA-N 1 2 309.332 0.460 10 0 DCAELO C[C@@H]1C[N@@H+]([C@H](CNC(=O)NCCO)c2cccs2)CCO1 ZINC000248343741 395984476 /nfs/dbraw/zinc/98/44/76/395984476.db2.gz KRHRGQHSPOMHQB-VXGBXAGGSA-N 1 2 313.423 0.801 10 0 DCAELO C[C@@H]1C[N@H+]([C@H](CNC(=O)NCCO)c2cccs2)CCO1 ZINC000248343741 395984481 /nfs/dbraw/zinc/98/44/81/395984481.db2.gz KRHRGQHSPOMHQB-VXGBXAGGSA-N 1 2 313.423 0.801 10 0 DCAELO C[C@@H]1OCC[C@H]1S(=O)(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000248482027 395988790 /nfs/dbraw/zinc/98/87/90/395988790.db2.gz SYTRLMNEIKDMNB-DMDPSCGWSA-N 1 2 302.396 0.979 10 0 DCAELO C[C@]1(C(N)=O)CCCC[N@@H+]1CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000248572505 395989958 /nfs/dbraw/zinc/98/99/58/395989958.db2.gz GLICCVHSGHTYJZ-CKEIUWERSA-N 1 2 323.437 0.886 10 0 DCAELO C[C@]1(C(N)=O)CCCC[N@H+]1CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000248572505 395989960 /nfs/dbraw/zinc/98/99/60/395989960.db2.gz GLICCVHSGHTYJZ-CKEIUWERSA-N 1 2 323.437 0.886 10 0 DCAELO O=C(COc1ccccc1O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000151707194 395990433 /nfs/dbraw/zinc/99/04/33/395990433.db2.gz PJAXAHNDQOBTEE-CYBMUJFWSA-N 1 2 306.362 0.750 10 0 DCAELO O=C(COc1ccccc1O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000151707194 395990434 /nfs/dbraw/zinc/99/04/34/395990434.db2.gz PJAXAHNDQOBTEE-CYBMUJFWSA-N 1 2 306.362 0.750 10 0 DCAELO COc1cccc(OC)c1CC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000151912789 395996640 /nfs/dbraw/zinc/99/66/40/395996640.db2.gz DPTVFMOHBISUES-XJKSGUPXSA-N 1 2 320.389 0.788 10 0 DCAELO COc1cccc(OC)c1CC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000151912789 395996643 /nfs/dbraw/zinc/99/66/43/395996643.db2.gz DPTVFMOHBISUES-XJKSGUPXSA-N 1 2 320.389 0.788 10 0 DCAELO CCn1cc([C@@H]2C[N@@H+]([C@H](C)CN3CCOCC3)CCO2)cn1 ZINC000248803001 395997383 /nfs/dbraw/zinc/99/73/83/395997383.db2.gz QUVKJTLENPMUMG-ZBFHGGJFSA-N 1 2 308.426 0.997 10 0 DCAELO CCn1cc([C@@H]2C[N@H+]([C@H](C)CN3CCOCC3)CCO2)cn1 ZINC000248803001 395997386 /nfs/dbraw/zinc/99/73/86/395997386.db2.gz QUVKJTLENPMUMG-ZBFHGGJFSA-N 1 2 308.426 0.997 10 0 DCAELO Cc1ccccc1SCC(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000154131325 396032102 /nfs/dbraw/zinc/03/21/02/396032102.db2.gz HHMQEEIWHLIQCZ-CQSZACIVSA-N 1 2 324.446 0.896 10 0 DCAELO Cc1ccc(OCC(=O)NC[C@@H](O)C[NH+]2CCOCC2)cc1C ZINC000154121737 396032328 /nfs/dbraw/zinc/03/23/28/396032328.db2.gz ACHVULRXPMJAAZ-OAHLLOKOSA-N 1 2 322.405 0.492 10 0 DCAELO O=C(CCOc1ccccc1)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000154128137 396032453 /nfs/dbraw/zinc/03/24/53/396032453.db2.gz HXPUEBXDYJCLSA-CQSZACIVSA-N 1 2 308.378 0.265 10 0 DCAELO COCc1cccc(C(=O)NC[C@H](O)C[NH+]2CCOCC2)c1 ZINC000154151388 396033227 /nfs/dbraw/zinc/03/32/27/396033227.db2.gz VRYKFBZWPOCVGJ-HNNXBMFYSA-N 1 2 308.378 0.256 10 0 DCAELO O=C(c1cn[nH]c1)N1CCC([N@H+]2CC(F)(F)C[C@H]2CO)CC1 ZINC000257193071 396034916 /nfs/dbraw/zinc/03/49/16/396034916.db2.gz WXUZLROJEIBWNL-LBPRGKRZSA-N 1 2 314.336 0.716 10 0 DCAELO O=C(c1cn[nH]c1)N1CCC([N@@H+]2CC(F)(F)C[C@H]2CO)CC1 ZINC000257193071 396034921 /nfs/dbraw/zinc/03/49/21/396034921.db2.gz WXUZLROJEIBWNL-LBPRGKRZSA-N 1 2 314.336 0.716 10 0 DCAELO C[C@@H]1CN(C(=O)COc2ccccc2O)C[C@@H]1[NH+]1CCOCC1 ZINC000152315344 396005256 /nfs/dbraw/zinc/00/52/56/396005256.db2.gz BCVKFGLQVPLCLW-KGLIPLIRSA-N 1 2 320.389 0.950 10 0 DCAELO O=C(NC1CC1)[C@H](c1ccc(F)cc1)[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000249290259 396005292 /nfs/dbraw/zinc/00/52/92/396005292.db2.gz KJDNYYCHLSQCRY-ILXRZTDVSA-N 1 2 308.353 0.573 10 0 DCAELO O=C(NC1CC1)[C@H](c1ccc(F)cc1)[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000249290259 396005295 /nfs/dbraw/zinc/00/52/95/396005295.db2.gz KJDNYYCHLSQCRY-ILXRZTDVSA-N 1 2 308.353 0.573 10 0 DCAELO COc1ccc(OC)c([C@H](C)[NH2+]Cc2nc(N)nc(N)n2)c1 ZINC000171141107 396109028 /nfs/dbraw/zinc/10/90/28/396109028.db2.gz VJHAVEXRICSJLZ-QMMMGPOBSA-N 1 2 304.354 0.904 10 0 DCAELO CNC(=O)c1ccc(C)c(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000171706238 396122820 /nfs/dbraw/zinc/12/28/20/396122820.db2.gz ZOLQMEAXOOUQRE-CYBMUJFWSA-N 1 2 320.393 0.807 10 0 DCAELO CNC(=O)c1ccc(C)c(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000171706238 396122823 /nfs/dbraw/zinc/12/28/23/396122823.db2.gz ZOLQMEAXOOUQRE-CYBMUJFWSA-N 1 2 320.393 0.807 10 0 DCAELO Cn1cc(CN2CCN(C(=O)[C@@H]3CC(F)(F)C[NH2+]3)CC2)cn1 ZINC000263216376 396206813 /nfs/dbraw/zinc/20/68/13/396206813.db2.gz KZHDPILTDMNOOL-LBPRGKRZSA-N 1 2 313.352 0.062 10 0 DCAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1cnc2ccccc2n1 ZINC000176443015 396155898 /nfs/dbraw/zinc/15/58/98/396155898.db2.gz MJNBCYVANXCJGK-LBPRGKRZSA-N 1 2 316.361 0.053 10 0 DCAELO O=S(=O)(Cc1cn2cc(Cl)ccc2[nH+]1)C[C@@H](O)CO ZINC000176708993 396159290 /nfs/dbraw/zinc/15/92/90/396159290.db2.gz AORIWXFHXVAAPD-JTQLQIEISA-N 1 2 304.755 0.256 10 0 DCAELO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)[C@@H]1CCNC1=O ZINC000178282419 396193133 /nfs/dbraw/zinc/19/31/33/396193133.db2.gz QNSCGYAGXZTTIO-CQSZACIVSA-N 1 2 318.377 0.794 10 0 DCAELO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)[C@@H]1CCNC1=O ZINC000178282419 396193135 /nfs/dbraw/zinc/19/31/35/396193135.db2.gz QNSCGYAGXZTTIO-CQSZACIVSA-N 1 2 318.377 0.794 10 0 DCAELO O=C(Nc1ccc(N2CCOCC2)nc1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263015813 396197508 /nfs/dbraw/zinc/19/75/08/396197508.db2.gz QHDMVGXXYLKHBR-LLVKDONJSA-N 1 2 312.320 0.854 10 0 DCAELO O=C(NCCN1C(=O)c2ccccc2C1=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263036901 396199138 /nfs/dbraw/zinc/19/91/38/396199138.db2.gz SKKIJFQRPHWOQZ-LLVKDONJSA-N 1 2 323.299 0.396 10 0 DCAELO Cn1cc(N2CCC[C@H](NC(=O)[C@@H]3CC(F)(F)C[NH2+]3)C2)cn1 ZINC000263157131 396203559 /nfs/dbraw/zinc/20/35/59/396203559.db2.gz DNZIFAIJBYMVLI-JQWIXIFHSA-N 1 2 313.352 0.502 10 0 DCAELO Cn1nccc1[C@@H]1CCCCN1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000281937674 396249690 /nfs/dbraw/zinc/24/96/90/396249690.db2.gz RKVWGSYJYWEXOU-HIFRSBDPSA-N 1 2 321.425 0.987 10 0 DCAELO Cn1nccc1[C@@H]1CCCCN1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000281937674 396249692 /nfs/dbraw/zinc/24/96/92/396249692.db2.gz RKVWGSYJYWEXOU-HIFRSBDPSA-N 1 2 321.425 0.987 10 0 DCAELO O=C(N[C@@H]1CCCN(c2cccnn2)C1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263311354 396213032 /nfs/dbraw/zinc/21/30/32/396213032.db2.gz YSRVALJLSMPBJN-MNOVXSKESA-N 1 2 311.336 0.559 10 0 DCAELO C[C@@H](C[NH+]1CCOCC1)NC(=O)Cn1c2ccccc2[nH]c1=O ZINC000077195937 396214453 /nfs/dbraw/zinc/21/44/53/396214453.db2.gz MJAXQESDNFHMLG-LBPRGKRZSA-N 1 2 318.377 0.167 10 0 DCAELO C[C@@H](CO)[C@H](C)NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000077771937 396232926 /nfs/dbraw/zinc/23/29/26/396232926.db2.gz PJBKZKPYBGGPBY-STQMWFEESA-N 1 2 322.409 0.734 10 0 DCAELO COCCCCS(=O)(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000184936936 396311675 /nfs/dbraw/zinc/31/16/75/396311675.db2.gz AOTXOVIWGXXBII-CHWSQXEVSA-N 1 2 308.444 0.130 10 0 DCAELO COCCCCS(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000184936936 396311676 /nfs/dbraw/zinc/31/16/76/396311676.db2.gz AOTXOVIWGXXBII-CHWSQXEVSA-N 1 2 308.444 0.130 10 0 DCAELO C[N@@H+]1CCO[C@H](CNc2cc(C(F)(F)F)nc3ncnn32)C1 ZINC000264514673 396286941 /nfs/dbraw/zinc/28/69/41/396286941.db2.gz OFNZKXOGVDYLEK-MRVPVSSYSA-N 1 2 316.287 0.886 10 0 DCAELO C[N@H+]1CCO[C@H](CNc2cc(C(F)(F)F)nc3ncnn32)C1 ZINC000264514673 396286943 /nfs/dbraw/zinc/28/69/43/396286943.db2.gz OFNZKXOGVDYLEK-MRVPVSSYSA-N 1 2 316.287 0.886 10 0 DCAELO O=C(NC1CN(C(=O)NCCCn2cc[nH+]c2)C1)C1CCC1 ZINC000185956866 396337845 /nfs/dbraw/zinc/33/78/45/396337845.db2.gz UYONEFIWVSXODT-UHFFFAOYSA-N 1 2 305.382 0.583 10 0 DCAELO Cc1cc(NC(=O)CC[NH+]2CC(NC(=O)C3CCC3)C2)no1 ZINC000185935137 396337991 /nfs/dbraw/zinc/33/79/91/396337991.db2.gz HXONQXSODRTHSD-UHFFFAOYSA-N 1 2 306.366 0.912 10 0 DCAELO CCOC(=O)c1nn(C)cc1CN1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000186191365 396343888 /nfs/dbraw/zinc/34/38/88/396343888.db2.gz FMZZRUFSQRRFGF-CQSZACIVSA-N 1 2 322.409 0.503 10 0 DCAELO CCOC(=O)c1nn(C)cc1C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000186191365 396343891 /nfs/dbraw/zinc/34/38/91/396343891.db2.gz FMZZRUFSQRRFGF-CQSZACIVSA-N 1 2 322.409 0.503 10 0 DCAELO CCOC(=O)c1nn(C)cc1C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000186191365 396343893 /nfs/dbraw/zinc/34/38/93/396343893.db2.gz FMZZRUFSQRRFGF-CQSZACIVSA-N 1 2 322.409 0.503 10 0 DCAELO O=C(NCc1cn2c([nH+]1)CCCC2)C(=O)N1CCCSCC1 ZINC000286093265 396374768 /nfs/dbraw/zinc/37/47/68/396374768.db2.gz UCBNHEKNSGXVHQ-UHFFFAOYSA-N 1 2 322.434 0.801 10 0 DCAELO C[C@@H]1C(=O)NCCC[N@H+]1CC(=O)NCc1cc(F)cc(F)c1 ZINC000189276518 396392775 /nfs/dbraw/zinc/39/27/75/396392775.db2.gz YYHKXUCITJZDCA-SNVBAGLBSA-N 1 2 311.332 0.791 10 0 DCAELO C[C@@H]1C(=O)NCCC[N@@H+]1CC(=O)NCc1cc(F)cc(F)c1 ZINC000189276518 396392779 /nfs/dbraw/zinc/39/27/79/396392779.db2.gz YYHKXUCITJZDCA-SNVBAGLBSA-N 1 2 311.332 0.791 10 0 DCAELO CNC(=O)C[NH+]1CCN(c2ncnc3c(C)csc32)CC1 ZINC000189972851 396401479 /nfs/dbraw/zinc/40/14/79/396401479.db2.gz ZVSQMDQPBJNIDT-UHFFFAOYSA-N 1 2 305.407 0.868 10 0 DCAELO CCN1CN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)CC1=O ZINC000190567498 396408455 /nfs/dbraw/zinc/40/84/55/396408455.db2.gz LWNOXMSSATVFTL-UHFFFAOYSA-N 1 2 319.409 0.280 10 0 DCAELO C[C@H]1C(=O)NCCCN1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000191178353 396416839 /nfs/dbraw/zinc/41/68/39/396416839.db2.gz SDOUDNLBESKELX-LBPRGKRZSA-N 1 2 315.377 0.797 10 0 DCAELO COc1cccc(CNC(=O)C[N@@H+]2CCN3CCOC[C@@H]3C2)c1 ZINC000371834882 396478178 /nfs/dbraw/zinc/47/81/78/396478178.db2.gz OAIXSTGNCVNZAM-HNNXBMFYSA-N 1 2 319.405 0.328 10 0 DCAELO COc1cccc(CNC(=O)C[N@H+]2CCN3CCOC[C@@H]3C2)c1 ZINC000371834882 396478181 /nfs/dbraw/zinc/47/81/81/396478181.db2.gz OAIXSTGNCVNZAM-HNNXBMFYSA-N 1 2 319.405 0.328 10 0 DCAELO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](Cc2nc(N)nc(N)n2)C1 ZINC000533483483 396604015 /nfs/dbraw/zinc/60/40/15/396604015.db2.gz LXELOHPOZUHQKO-SNVBAGLBSA-N 1 2 322.413 0.641 10 0 DCAELO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2nc(N)nc(N)n2)C1 ZINC000533483483 396604017 /nfs/dbraw/zinc/60/40/17/396604017.db2.gz LXELOHPOZUHQKO-SNVBAGLBSA-N 1 2 322.413 0.641 10 0 DCAELO CC(=O)N1CCC[N@H+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CC1 ZINC000373931185 396624685 /nfs/dbraw/zinc/62/46/85/396624685.db2.gz ASPNQGGHICEWHX-HZPDHXFCSA-N 1 2 323.437 0.711 10 0 DCAELO CC(=O)N1CCC[N@@H+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CC1 ZINC000373931185 396624686 /nfs/dbraw/zinc/62/46/86/396624686.db2.gz ASPNQGGHICEWHX-HZPDHXFCSA-N 1 2 323.437 0.711 10 0 DCAELO C[C@@H](CO)CCCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000561014117 396628202 /nfs/dbraw/zinc/62/82/02/396628202.db2.gz JVLHGLDKCYCWKO-LLVKDONJSA-N 1 2 304.350 0.798 10 0 DCAELO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C)C2)C[C@H]1[NH+]1CCOCC1 ZINC000375076651 396709816 /nfs/dbraw/zinc/70/98/16/396709816.db2.gz FJYSFWCAQIMCFD-RBSFLKMASA-N 1 2 323.437 0.424 10 0 DCAELO C[C@H]1CCCN1S(=O)(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000375220160 396718275 /nfs/dbraw/zinc/71/82/75/396718275.db2.gz IWNLDVJYMJOMFZ-QWHCGFSZSA-N 1 2 303.428 0.122 10 0 DCAELO COC(=O)C1CCN(C(=O)[C@@H](C)[N@@H+]2CCO[C@H](C3CC3)C2)CC1 ZINC000375346056 396729961 /nfs/dbraw/zinc/72/99/61/396729961.db2.gz XFIVANVYIHHFKB-DOMZBBRYSA-N 1 2 324.421 0.897 10 0 DCAELO COC(=O)C1CCN(C(=O)[C@@H](C)[N@H+]2CCO[C@H](C3CC3)C2)CC1 ZINC000375346056 396729967 /nfs/dbraw/zinc/72/99/67/396729967.db2.gz XFIVANVYIHHFKB-DOMZBBRYSA-N 1 2 324.421 0.897 10 0 DCAELO Cn1cnnc1[C@H]1C[N@H+](C[C@@H](O)COc2ccccc2)CCO1 ZINC000328625348 396823991 /nfs/dbraw/zinc/82/39/91/396823991.db2.gz DAEGQFOPXLCSTI-UKRRQHHQSA-N 1 2 318.377 0.628 10 0 DCAELO Cn1cnnc1[C@H]1C[N@@H+](C[C@@H](O)COc2ccccc2)CCO1 ZINC000328625348 396823998 /nfs/dbraw/zinc/82/39/98/396823998.db2.gz DAEGQFOPXLCSTI-UKRRQHHQSA-N 1 2 318.377 0.628 10 0 DCAELO CN1CCN(C(=O)Nc2ccncc2F)C[C@H]1c1[nH]cc[nH+]1 ZINC000328626953 396824204 /nfs/dbraw/zinc/82/42/04/396824204.db2.gz MGBIHUCRDHEQFC-LBPRGKRZSA-N 1 2 304.329 0.886 10 0 DCAELO CCN1CCN(C(=O)[C@@]2(O)CCSC2)C[C@H]1c1[nH+]ccn1C ZINC000328630285 396826879 /nfs/dbraw/zinc/82/68/79/396826879.db2.gz PSSGRWKATDEEQF-SWLSCSKDSA-N 1 2 324.450 0.493 10 0 DCAELO C[N@@H+]1CCO[C@H](CN(CC(N)=O)C(=O)C[C@H]2CCCCO2)C1 ZINC000328641644 396829209 /nfs/dbraw/zinc/82/92/09/396829209.db2.gz QRJBFCYBMILOPS-OLZOCXBDSA-N 1 2 313.398 0.640 10 0 DCAELO C[N@H+]1CCO[C@H](CN(CC(N)=O)C(=O)C[C@H]2CCCCO2)C1 ZINC000328641644 396829214 /nfs/dbraw/zinc/82/92/14/396829214.db2.gz QRJBFCYBMILOPS-OLZOCXBDSA-N 1 2 313.398 0.640 10 0 DCAELO CCN1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@H]1c1[nH+]ccn1C ZINC000328643393 396829370 /nfs/dbraw/zinc/82/93/70/396829370.db2.gz YWBZIRCYPRLFPZ-OLZOCXBDSA-N 1 2 319.409 0.104 10 0 DCAELO COC(=O)[C@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)C1CC1 ZINC000611614003 396894347 /nfs/dbraw/zinc/89/43/47/396894347.db2.gz AAFNRHBDRCDBHE-IUODEOHRSA-N 1 2 317.389 0.905 10 0 DCAELO Cc1nccc(C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)n1 ZINC000377337790 397069103 /nfs/dbraw/zinc/06/91/03/397069103.db2.gz PZNBFQFGYHUJIF-CQSZACIVSA-N 1 2 310.423 0.785 10 0 DCAELO Cc1nccc(C[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)n1 ZINC000377337790 397069109 /nfs/dbraw/zinc/06/91/09/397069109.db2.gz PZNBFQFGYHUJIF-CQSZACIVSA-N 1 2 310.423 0.785 10 0 DCAELO CN1CCN(c2cc(N3CC[C@](O)(C4CC4)C3)[nH+]cn2)CC1=O ZINC000377468220 397085456 /nfs/dbraw/zinc/08/54/56/397085456.db2.gz MUICIIKPKRKGIE-MRXNPFEDSA-N 1 2 317.393 0.106 10 0 DCAELO CN1CCN(c2cc(N3CC[C@](O)(C4CC4)C3)nc[nH+]2)CC1=O ZINC000377468220 397085460 /nfs/dbraw/zinc/08/54/60/397085460.db2.gz MUICIIKPKRKGIE-MRXNPFEDSA-N 1 2 317.393 0.106 10 0 DCAELO CC(=O)N1CCN(C(=O)[C@H]2CCn3cc(C)[nH+]c3C2)[C@@H](C)C1 ZINC000626138517 397088916 /nfs/dbraw/zinc/08/89/16/397088916.db2.gz YXBRTHJHBHUKQU-JSGCOSHPSA-N 1 2 304.394 0.833 10 0 DCAELO CN(C1CCCCC1)S(=O)(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000407970202 397341658 /nfs/dbraw/zinc/34/16/58/397341658.db2.gz BDZPXKFRAHRNHY-CYBMUJFWSA-N 1 2 305.444 0.416 10 0 DCAELO CN(C1CCCCC1)S(=O)(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000407970202 397341660 /nfs/dbraw/zinc/34/16/60/397341660.db2.gz BDZPXKFRAHRNHY-CYBMUJFWSA-N 1 2 305.444 0.416 10 0 DCAELO COC1CCN(C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)CC1 ZINC000408283807 397351894 /nfs/dbraw/zinc/35/18/94/397351894.db2.gz PHXFJYZYJBSZKP-UHFFFAOYSA-N 1 2 307.398 0.758 10 0 DCAELO CCOC(=O)c1ncc(C[N@@H+]2CCC[C@@](O)(CO)C2)s1 ZINC000602842280 397500114 /nfs/dbraw/zinc/50/01/14/397500114.db2.gz OVSYUKLTLYPLOZ-ZDUSSCGKSA-N 1 2 300.380 0.639 10 0 DCAELO CCOC(=O)c1ncc(C[N@H+]2CCC[C@@](O)(CO)C2)s1 ZINC000602842280 397500117 /nfs/dbraw/zinc/50/01/17/397500117.db2.gz OVSYUKLTLYPLOZ-ZDUSSCGKSA-N 1 2 300.380 0.639 10 0 DCAELO COc1ccc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)nn1 ZINC000078189471 286273578 /nfs/dbraw/zinc/27/35/78/286273578.db2.gz PEPWKNUIEPMJPC-ZDUSSCGKSA-N 1 2 320.393 0.812 10 0 DCAELO O=C(NC1CCC(O)CC1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000080619735 158081243 /nfs/dbraw/zinc/08/12/43/158081243.db2.gz BWBQXMBKXWBHOP-SLTAFYQDSA-N 1 2 311.426 0.796 10 0 DCAELO CC(C)N(C)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000086368988 158089723 /nfs/dbraw/zinc/08/97/23/158089723.db2.gz SFSABXNJGFCTNZ-UHFFFAOYSA-N 1 2 306.414 0.648 10 0 DCAELO NC(=O)c1cccc(S(=O)(=O)NCCCn2cc[nH+]c2)c1 ZINC000096996814 158124569 /nfs/dbraw/zinc/12/45/69/158124569.db2.gz ZAFSDOWOYRUCAB-UHFFFAOYSA-N 1 2 308.363 0.351 10 0 DCAELO NC(=O)N1CCC[C@@H](C(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000101864363 158127235 /nfs/dbraw/zinc/12/72/35/158127235.db2.gz XUAQQBJOOOVGQH-GFCCVEGCSA-N 1 2 305.382 0.837 10 0 DCAELO Cc1nc(CN2CCC[N@H+](CC(=O)NCC(C)C)CC2)no1 ZINC000105866615 158131538 /nfs/dbraw/zinc/13/15/38/158131538.db2.gz VCBIEILRFZDIJJ-UHFFFAOYSA-N 1 2 309.414 0.658 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2cncc(Br)c2)C1 ZINC000110484148 158138558 /nfs/dbraw/zinc/13/85/58/158138558.db2.gz FLLGGKQDSZZQLP-NSHDSACASA-N 1 2 314.183 0.905 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)c2cncc(Br)c2)C1 ZINC000110484148 158138559 /nfs/dbraw/zinc/13/85/59/158138559.db2.gz FLLGGKQDSZZQLP-NSHDSACASA-N 1 2 314.183 0.905 10 0 DCAELO CCN1C[C@H](C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CC1=O ZINC000110956110 158138993 /nfs/dbraw/zinc/13/89/93/158138993.db2.gz PBEZDXHWKDEONL-HUUCEWRRSA-N 1 2 323.437 0.568 10 0 DCAELO CC(C)(CNC(=O)N[C@@H]1CCc2ncnn2C1)[NH+]1CCOCC1 ZINC000112740124 158143339 /nfs/dbraw/zinc/14/33/39/158143339.db2.gz STDZBILTXPNJHE-GFCCVEGCSA-N 1 2 322.413 0.003 10 0 DCAELO CCc1nc2n(n1)C[C@H](NC(=O)NCCCn1cc[nH+]c1)CC2 ZINC000114907998 158159239 /nfs/dbraw/zinc/15/92/39/158159239.db2.gz INNATKCSKPHITE-GFCCVEGCSA-N 1 2 317.397 0.741 10 0 DCAELO CCCN(CCC)C(=O)C[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000116887814 158167647 /nfs/dbraw/zinc/16/76/47/158167647.db2.gz DPMBFZVLRUXEIQ-GFCCVEGCSA-N 1 2 305.444 0.259 10 0 DCAELO CCCN(CCC)C(=O)C[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000116887814 158167648 /nfs/dbraw/zinc/16/76/48/158167648.db2.gz DPMBFZVLRUXEIQ-GFCCVEGCSA-N 1 2 305.444 0.259 10 0 DCAELO CC[C@@H]1CN(C(=O)CCCS(C)(=O)=O)CC[N@@H+]1CCOC ZINC000117300050 158169858 /nfs/dbraw/zinc/16/98/58/158169858.db2.gz OSCKNQDQJFNMRP-CYBMUJFWSA-N 1 2 320.455 0.380 10 0 DCAELO CC[C@@H]1CN(C(=O)CCCS(C)(=O)=O)CC[N@H+]1CCOC ZINC000117300050 158169861 /nfs/dbraw/zinc/16/98/61/158169861.db2.gz OSCKNQDQJFNMRP-CYBMUJFWSA-N 1 2 320.455 0.380 10 0 DCAELO COC[C@H](C)S(=O)(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000117906735 158174388 /nfs/dbraw/zinc/17/43/88/158174388.db2.gz FQBKQNZJCYCWOV-NSHDSACASA-N 1 2 310.379 0.722 10 0 DCAELO COC[C@@H](C)S(=O)(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000117906738 158174567 /nfs/dbraw/zinc/17/45/67/158174567.db2.gz FQBKQNZJCYCWOV-LLVKDONJSA-N 1 2 310.379 0.722 10 0 DCAELO Cc1noc(C)c1S(=O)(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000123616463 158231521 /nfs/dbraw/zinc/23/15/21/158231521.db2.gz VYQMNSCIKOVCTH-LBPRGKRZSA-N 1 2 315.395 0.433 10 0 DCAELO Cc1noc(C)c1S(=O)(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000123616463 158231523 /nfs/dbraw/zinc/23/15/23/158231523.db2.gz VYQMNSCIKOVCTH-LBPRGKRZSA-N 1 2 315.395 0.433 10 0 DCAELO Cc1cc(C[C@H](C)NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)[nH]n1 ZINC000124822199 158247696 /nfs/dbraw/zinc/24/76/96/158247696.db2.gz XJUPSPQDIHZUDL-WFASDCNBSA-N 1 2 321.425 0.765 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)NCC(C)(C)c2ccncc2)C1 ZINC000126991173 158270073 /nfs/dbraw/zinc/27/00/73/158270073.db2.gz NVVIDQGDPAKNEN-CQSZACIVSA-N 1 2 306.410 0.989 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)NCC(C)(C)c2ccncc2)C1 ZINC000126991173 158270074 /nfs/dbraw/zinc/27/00/74/158270074.db2.gz NVVIDQGDPAKNEN-CQSZACIVSA-N 1 2 306.410 0.989 10 0 DCAELO CCn1cc(C(=O)C(=O)NCc2cccnc2-n2cc[nH+]c2)cn1 ZINC000129876618 158292190 /nfs/dbraw/zinc/29/21/90/158292190.db2.gz OPIKVADATDMQIM-UHFFFAOYSA-N 1 2 324.344 0.983 10 0 DCAELO CC(C)Cn1cc[nH+]c1CNC(=O)c1ccc(C(N)=O)cn1 ZINC000130910995 158296982 /nfs/dbraw/zinc/29/69/82/158296982.db2.gz IBFBPGCBMKSBBV-UHFFFAOYSA-N 1 2 301.350 0.963 10 0 DCAELO CCCCNC(=O)C[N@@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000135705151 158340185 /nfs/dbraw/zinc/34/01/85/158340185.db2.gz JZQZMRVWEDAIMI-CYBMUJFWSA-N 1 2 317.455 0.403 10 0 DCAELO CCCCNC(=O)C[N@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000135705151 158340188 /nfs/dbraw/zinc/34/01/88/158340188.db2.gz JZQZMRVWEDAIMI-CYBMUJFWSA-N 1 2 317.455 0.403 10 0 DCAELO CN(C)C(=O)CCNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000136993863 158343975 /nfs/dbraw/zinc/34/39/75/158343975.db2.gz ODUBANCAAIXCNX-CYBMUJFWSA-N 1 2 321.425 0.863 10 0 DCAELO Cc1cc(CN2CC[NH+](C[C@H](C)CS(C)(=O)=O)CC2)on1 ZINC000162653021 158361096 /nfs/dbraw/zinc/36/10/96/158361096.db2.gz ZWIKQLOHGGHJDU-LBPRGKRZSA-N 1 2 315.439 0.781 10 0 DCAELO CCCCCS(=O)(=O)CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000170828874 158376985 /nfs/dbraw/zinc/37/69/85/158376985.db2.gz NRAHGBZLNOJYCU-CYBMUJFWSA-N 1 2 302.440 0.898 10 0 DCAELO CCCCCS(=O)(=O)CC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000170828874 158376986 /nfs/dbraw/zinc/37/69/86/158376986.db2.gz NRAHGBZLNOJYCU-CYBMUJFWSA-N 1 2 302.440 0.898 10 0 DCAELO C[C@@H](NC(=O)c1ccco1)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172745155 158398605 /nfs/dbraw/zinc/39/86/05/158398605.db2.gz VEELEMSSTDUKOH-OLZOCXBDSA-N 1 2 321.377 0.331 10 0 DCAELO CC(C)(C)CC(=O)NCC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172756315 158398829 /nfs/dbraw/zinc/39/88/29/158398829.db2.gz NMNNXLIMWXGAFL-ZDUSSCGKSA-N 1 2 311.426 0.472 10 0 DCAELO CCCCCNC(=O)[C@H](C)[N@@H+]1CCCN(CCOC)C(=O)C1 ZINC000190772235 158563393 /nfs/dbraw/zinc/56/33/93/158563393.db2.gz KMEVMLWEKRQLKT-AWEZNQCLSA-N 1 2 313.442 0.862 10 0 DCAELO CCCCCNC(=O)[C@H](C)[N@H+]1CCCN(CCOC)C(=O)C1 ZINC000190772235 158563395 /nfs/dbraw/zinc/56/33/95/158563395.db2.gz KMEVMLWEKRQLKT-AWEZNQCLSA-N 1 2 313.442 0.862 10 0 DCAELO O=C(COC[C@@H]1CCOC1)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000328662407 159018553 /nfs/dbraw/zinc/01/85/53/159018553.db2.gz XINHQMOCGUZEGG-HIFRSBDPSA-N 1 2 305.378 0.608 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(S(=O)(=O)CC[C@@H]3CCOC3)C[C@@H]21 ZINC000328838852 159033446 /nfs/dbraw/zinc/03/34/46/159033446.db2.gz NPEHLJYNCSPWAQ-MELADBBJSA-N 1 2 318.439 0.148 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(S(=O)(=O)CC[C@@H]3CCOC3)C[C@@H]21 ZINC000328838852 159033448 /nfs/dbraw/zinc/03/34/48/159033448.db2.gz NPEHLJYNCSPWAQ-MELADBBJSA-N 1 2 318.439 0.148 10 0 DCAELO CCCC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000328902135 159039154 /nfs/dbraw/zinc/03/91/54/159039154.db2.gz GGJRYJUPVZUJBT-RBSFLKMASA-N 1 2 323.437 0.709 10 0 DCAELO CCCC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000328902135 159039157 /nfs/dbraw/zinc/03/91/57/159039157.db2.gz GGJRYJUPVZUJBT-RBSFLKMASA-N 1 2 323.437 0.709 10 0 DCAELO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CC(n2ccnn2)C1 ZINC000329035716 159054036 /nfs/dbraw/zinc/05/40/36/159054036.db2.gz MTRYTBLFCXKILE-TZMCWYRMSA-N 1 2 312.377 0.829 10 0 DCAELO O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CCC[C@@](F)(CO)C1 ZINC000329198099 159072576 /nfs/dbraw/zinc/07/25/76/159072576.db2.gz AGYBUGVYYYZSHS-HOCLYGCPSA-N 1 2 314.401 0.953 10 0 DCAELO O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CCC[C@@](F)(CO)C1 ZINC000329198099 159072579 /nfs/dbraw/zinc/07/25/79/159072579.db2.gz AGYBUGVYYYZSHS-HOCLYGCPSA-N 1 2 314.401 0.953 10 0 DCAELO O=S(=O)([C@H]1CCCOC1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000329570101 159103200 /nfs/dbraw/zinc/10/32/00/159103200.db2.gz QBXIDEADJFOPHO-KBPBESRZSA-N 1 2 318.439 0.292 10 0 DCAELO CC(C)n1nnnc1C[N@@H+]1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000329646570 159109526 /nfs/dbraw/zinc/10/95/26/159109526.db2.gz IZKMVDOEKXGKEO-JTQLQIEISA-N 1 2 318.385 0.456 10 0 DCAELO CC(C)n1nnnc1C[N@H+]1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000329646570 159109529 /nfs/dbraw/zinc/10/95/29/159109529.db2.gz IZKMVDOEKXGKEO-JTQLQIEISA-N 1 2 318.385 0.456 10 0 DCAELO COCCC(=O)N1CC[NH+](Cc2c[nH]c3nccnc23)CC1 ZINC000329707590 159113620 /nfs/dbraw/zinc/11/36/20/159113620.db2.gz KOOALZUDVGTQMX-UHFFFAOYSA-N 1 2 303.366 0.590 10 0 DCAELO O=S(=O)(C[C@H]1CCOC1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000329870519 159124917 /nfs/dbraw/zinc/12/49/17/159124917.db2.gz ADJLWEWWXCJKGB-JSGCOSHPSA-N 1 2 312.391 0.901 10 0 DCAELO C[N@@H+]1CCO[C@H](CN(CC2CC2)S(=O)(=O)c2c[nH]cn2)C1 ZINC000330270904 159155078 /nfs/dbraw/zinc/15/50/78/159155078.db2.gz VAELXALMHBNQOW-LBPRGKRZSA-N 1 2 314.411 0.141 10 0 DCAELO C[N@H+]1CCO[C@H](CN(CC2CC2)S(=O)(=O)c2c[nH]cn2)C1 ZINC000330270904 159155081 /nfs/dbraw/zinc/15/50/81/159155081.db2.gz VAELXALMHBNQOW-LBPRGKRZSA-N 1 2 314.411 0.141 10 0 DCAELO C[C@@H](CNC(=O)C[C@@H]1CCCCNC1=O)[NH+]1CCN(C)CC1 ZINC000332746320 159212721 /nfs/dbraw/zinc/21/27/21/159212721.db2.gz JFZWWQLTNGMBAO-KBPBESRZSA-N 1 2 310.442 0.045 10 0 DCAELO Cn1ccc(C[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)n1 ZINC000367091536 159312469 /nfs/dbraw/zinc/31/24/69/159312469.db2.gz LADUTBIRSLODNQ-UHFFFAOYSA-N 1 2 312.439 0.810 10 0 DCAELO O=C(C[N@@H+]1CCN2CCOC[C@@H]2C1)NCc1ccc(F)cc1 ZINC000368330982 159387810 /nfs/dbraw/zinc/38/78/10/159387810.db2.gz YWXDEWGYCJGMPV-HNNXBMFYSA-N 1 2 307.369 0.458 10 0 DCAELO O=C(C[N@H+]1CCN2CCOC[C@@H]2C1)NCc1ccc(F)cc1 ZINC000368330982 159387811 /nfs/dbraw/zinc/38/78/11/159387811.db2.gz YWXDEWGYCJGMPV-HNNXBMFYSA-N 1 2 307.369 0.458 10 0 DCAELO CC1CCN(C(=O)C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)CC1 ZINC000407988674 160004880 /nfs/dbraw/zinc/00/48/80/160004880.db2.gz IARPKMIGRGTMIE-UHFFFAOYSA-N 1 2 319.409 0.312 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)NC2CCCC2)[C@@H](C)C1 ZINC000408010372 160010356 /nfs/dbraw/zinc/01/03/56/160010356.db2.gz UXRPKMAAGKJNQA-RYUDHWBXSA-N 1 2 305.444 0.150 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)NC2CCCC2)[C@@H](C)C1 ZINC000408010372 160010358 /nfs/dbraw/zinc/01/03/58/160010358.db2.gz UXRPKMAAGKJNQA-RYUDHWBXSA-N 1 2 305.444 0.150 10 0 DCAELO COCCCCS(=O)(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000408015782 160012563 /nfs/dbraw/zinc/01/25/63/160012563.db2.gz FKNRNMDBTHLCTB-STQMWFEESA-N 1 2 306.428 0.148 10 0 DCAELO COCCCCS(=O)(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000408015782 160012565 /nfs/dbraw/zinc/01/25/65/160012565.db2.gz FKNRNMDBTHLCTB-STQMWFEESA-N 1 2 306.428 0.148 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)CCNC(=O)C(C)(C)C)C[C@H]21 ZINC000408024012 160015039 /nfs/dbraw/zinc/01/50/39/160015039.db2.gz WYQIADXTDKFQQI-CHWSQXEVSA-N 1 2 311.426 0.470 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)CCNC(=O)C(C)(C)C)C[C@H]21 ZINC000408024012 160015040 /nfs/dbraw/zinc/01/50/40/160015040.db2.gz WYQIADXTDKFQQI-CHWSQXEVSA-N 1 2 311.426 0.470 10 0 DCAELO Cc1noc([C@H]2C[N@@H+](C[C@@](C)(O)C(F)(F)F)CCN2C)n1 ZINC000408036373 160018854 /nfs/dbraw/zinc/01/88/54/160018854.db2.gz RVXRDUISKZMERL-MWLCHTKSSA-N 1 2 308.304 0.980 10 0 DCAELO Cc1noc([C@H]2C[N@H+](C[C@@](C)(O)C(F)(F)F)CCN2C)n1 ZINC000408036373 160018856 /nfs/dbraw/zinc/01/88/56/160018856.db2.gz RVXRDUISKZMERL-MWLCHTKSSA-N 1 2 308.304 0.980 10 0 DCAELO Cc1c[nH]cc(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)c1=O ZINC000408135870 160045343 /nfs/dbraw/zinc/04/53/43/160045343.db2.gz ZMPOCRCVWBDRCB-GXTWGEPZSA-N 1 2 305.378 0.476 10 0 DCAELO O=C(c1ccc2nncn2c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000408231197 160064361 /nfs/dbraw/zinc/06/43/61/160064361.db2.gz LIEJUPFSXJOMJU-ZDUSSCGKSA-N 1 2 301.350 0.276 10 0 DCAELO C[C@H](C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1)C1CC1 ZINC000408319469 160084142 /nfs/dbraw/zinc/08/41/42/160084142.db2.gz JBHVOMZLWBIWLY-KBPBESRZSA-N 1 2 323.437 0.424 10 0 DCAELO Cc1cc(C(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)nn1C ZINC000408392524 160099337 /nfs/dbraw/zinc/09/93/37/160099337.db2.gz HNGZNGBWGKDUBU-CYBMUJFWSA-N 1 2 302.382 0.591 10 0 DCAELO COCCCCS(=O)(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000136107037 287025559 /nfs/dbraw/zinc/02/55/59/287025559.db2.gz DJPIJKXJNZDWTL-CQSZACIVSA-N 1 2 322.471 0.689 10 0 DCAELO CCOCC[N@@H+]1CCN(C(=O)C(=O)Nc2ccon2)C[C@H]1C ZINC000185822401 287057240 /nfs/dbraw/zinc/05/72/40/287057240.db2.gz SQJHANYAWCXHPV-LLVKDONJSA-N 1 2 310.354 0.182 10 0 DCAELO CCOCC[N@H+]1CCN(C(=O)C(=O)Nc2ccon2)C[C@H]1C ZINC000185822401 287057242 /nfs/dbraw/zinc/05/72/42/287057242.db2.gz SQJHANYAWCXHPV-LLVKDONJSA-N 1 2 310.354 0.182 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)C[C@@H]2CCCCO2)C[C@H]1C ZINC000246092291 287076570 /nfs/dbraw/zinc/07/65/70/287076570.db2.gz KBNWQCSLQXOZAA-RDBSUJKOSA-N 1 2 320.455 0.272 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)C[C@@H]2CCCCO2)C[C@H]1C ZINC000246092291 287076573 /nfs/dbraw/zinc/07/65/73/287076573.db2.gz KBNWQCSLQXOZAA-RDBSUJKOSA-N 1 2 320.455 0.272 10 0 DCAELO COCC[N@@H+]1CCN(S(=O)(=O)C[C@H]2CCCCO2)C[C@H]1C ZINC000246984329 287089978 /nfs/dbraw/zinc/08/99/78/287089978.db2.gz FQTDGDJIAPPBOP-ZIAGYGMSSA-N 1 2 320.455 0.538 10 0 DCAELO COCC[N@H+]1CCN(S(=O)(=O)C[C@H]2CCCCO2)C[C@H]1C ZINC000246984329 287089980 /nfs/dbraw/zinc/08/99/80/287089980.db2.gz FQTDGDJIAPPBOP-ZIAGYGMSSA-N 1 2 320.455 0.538 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(C(=O)c2cccc3n[nH]nc32)C[C@H]1C ZINC000248416907 287096911 /nfs/dbraw/zinc/09/69/11/287096911.db2.gz QITQNSYTGWFPHH-MNOVXSKESA-N 1 2 303.366 0.485 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cccc3nn[nH]c32)C[C@H]1C ZINC000248416907 287096914 /nfs/dbraw/zinc/09/69/14/287096914.db2.gz QITQNSYTGWFPHH-MNOVXSKESA-N 1 2 303.366 0.485 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(C(=O)c2cccc3nn[nH]c32)C[C@H]1C ZINC000248416907 287096916 /nfs/dbraw/zinc/09/69/16/287096916.db2.gz QITQNSYTGWFPHH-MNOVXSKESA-N 1 2 303.366 0.485 10 0 DCAELO O=C(CN1CCC[N@@H+](C[C@@H](O)C(F)(F)F)CC1)N1CCCC1 ZINC000248503971 287098037 /nfs/dbraw/zinc/09/80/37/287098037.db2.gz VGBSPBABYSNRHF-GFCCVEGCSA-N 1 2 323.359 0.540 10 0 DCAELO O=C(CN1CCC[N@H+](C[C@@H](O)C(F)(F)F)CC1)N1CCCC1 ZINC000248503971 287098038 /nfs/dbraw/zinc/09/80/38/287098038.db2.gz VGBSPBABYSNRHF-GFCCVEGCSA-N 1 2 323.359 0.540 10 0 DCAELO Cc1ccc(C)c(S(=O)(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1 ZINC000249463382 287111201 /nfs/dbraw/zinc/11/12/01/287111201.db2.gz POXATWMNPPSZKI-AWEZNQCLSA-N 1 2 312.435 0.991 10 0 DCAELO Cc1ccc(C)c(S(=O)(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1 ZINC000249463382 287111203 /nfs/dbraw/zinc/11/12/03/287111203.db2.gz POXATWMNPPSZKI-AWEZNQCLSA-N 1 2 312.435 0.991 10 0 DCAELO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)CC[C@H]1C ZINC000252005535 287120343 /nfs/dbraw/zinc/12/03/43/287120343.db2.gz WZYYDNYCWFODMV-FVCCEPFGSA-N 1 2 318.439 0.035 10 0 DCAELO CO[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)CC[C@H]1C ZINC000252005535 287120345 /nfs/dbraw/zinc/12/03/45/287120345.db2.gz WZYYDNYCWFODMV-FVCCEPFGSA-N 1 2 318.439 0.035 10 0 DCAELO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)CC(=O)N(C)C)CC1 ZINC000172815584 287154644 /nfs/dbraw/zinc/15/46/44/287154644.db2.gz CAOVMDPJVGMHLH-ZDUSSCGKSA-N 1 2 304.394 0.765 10 0 DCAELO Cc1[nH]c(C(=O)NC[C@@H]2C[C@H](F)CN2c2cccnn2)c[nH+]1 ZINC000331636954 415163028 /nfs/dbraw/zinc/16/30/28/415163028.db2.gz ZWJLNSDCZWSQPL-QWRGUYRKSA-N 1 2 304.329 0.855 10 0 DCAELO C[C@H](C(=O)NCc1[nH+]ccn1C)N1C(=O)c2ccccc2C1=O ZINC000041539228 415200064 /nfs/dbraw/zinc/20/00/64/415200064.db2.gz RNCIAEFIFOFVNJ-SNVBAGLBSA-N 1 2 312.329 0.721 10 0 DCAELO CC(C)COC[C@H](O)CNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000046287018 415258954 /nfs/dbraw/zinc/25/89/54/415258954.db2.gz RIMUBWQSIJOEPT-CQSZACIVSA-N 1 2 324.425 0.980 10 0 DCAELO CN(C)C(=O)C[N@H+](C)CC(=O)NCCN1CCc2ccccc21 ZINC000051588579 415312104 /nfs/dbraw/zinc/31/21/04/415312104.db2.gz PGNKEISZPBCSNQ-UHFFFAOYSA-N 1 2 318.421 0.185 10 0 DCAELO CN(C)C(=O)C[N@@H+](C)CC(=O)NCCN1CCc2ccccc21 ZINC000051588579 415312111 /nfs/dbraw/zinc/31/21/11/415312111.db2.gz PGNKEISZPBCSNQ-UHFFFAOYSA-N 1 2 318.421 0.185 10 0 DCAELO C[C@H](CN1CCCC1=O)NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000056399548 415332395 /nfs/dbraw/zinc/33/23/95/415332395.db2.gz JATQSRIYFJFEEB-GFCCVEGCSA-N 1 2 319.409 0.958 10 0 DCAELO CNC(=O)NC(=O)CN1CCC[C@H]1c1[nH+]c2c(n1C)CCCC2 ZINC000275988525 415404845 /nfs/dbraw/zinc/40/48/45/415404845.db2.gz ORPJEGSDJPYMCT-ZDUSSCGKSA-N 1 2 319.409 0.891 10 0 DCAELO C[C@H]1NC(=O)CC[C@H]1NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000333030349 415535315 /nfs/dbraw/zinc/53/53/15/415535315.db2.gz CBCMLOUNRCUGQH-ZYHUDNBSSA-N 1 2 305.382 0.686 10 0 DCAELO C[NH+](C)C[C@H]1CN(Cc2nc(=O)c3sccc3[nH]2)CCO1 ZINC000107304965 415665286 /nfs/dbraw/zinc/66/52/86/415665286.db2.gz XTQHJYLJWCUVKJ-JTQLQIEISA-N 1 2 308.407 0.747 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(Br)c[nH]2)C1 ZINC000110483937 415686773 /nfs/dbraw/zinc/68/67/73/415686773.db2.gz LDTNCUGAUJIPLQ-VIFPVBQESA-N 1 2 302.172 0.838 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)c2cc(Br)c[nH]2)C1 ZINC000110483937 415686776 /nfs/dbraw/zinc/68/67/76/415686776.db2.gz LDTNCUGAUJIPLQ-VIFPVBQESA-N 1 2 302.172 0.838 10 0 DCAELO COC(=O)c1c(C)[nH]c(C(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c1C ZINC000124196458 415848786 /nfs/dbraw/zinc/84/87/86/415848786.db2.gz IOUFUZAOEVGIJU-RYUDHWBXSA-N 1 2 321.377 0.573 10 0 DCAELO COC(=O)c1c(C)[nH]c(C(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1C ZINC000124196458 415848794 /nfs/dbraw/zinc/84/87/94/415848794.db2.gz IOUFUZAOEVGIJU-RYUDHWBXSA-N 1 2 321.377 0.573 10 0 DCAELO Cn1ncc(C(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c1-n1cccc1 ZINC000124139958 415848884 /nfs/dbraw/zinc/84/88/84/415848884.db2.gz AIZIQSGSAMZXHQ-ZIAGYGMSSA-N 1 2 315.377 0.366 10 0 DCAELO Cn1ncc(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1-n1cccc1 ZINC000124139958 415848890 /nfs/dbraw/zinc/84/88/90/415848890.db2.gz AIZIQSGSAMZXHQ-ZIAGYGMSSA-N 1 2 315.377 0.366 10 0 DCAELO C[C@@H](CNC(=O)CNC(=O)c1ccsc1)[NH+]1CCN(C)CC1 ZINC000125359913 415863562 /nfs/dbraw/zinc/86/35/62/415863562.db2.gz ZNXSXARZXDOFIG-LBPRGKRZSA-N 1 2 324.450 0.230 10 0 DCAELO COC(=O)c1cc(C)ccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000133729174 415949078 /nfs/dbraw/zinc/94/90/78/415949078.db2.gz BGBOXKPVZXLAHA-UHFFFAOYSA-N 1 2 312.391 0.718 10 0 DCAELO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCN(CC(F)F)[C@H](CC)C1 ZINC000153611539 415983461 /nfs/dbraw/zinc/98/34/61/415983461.db2.gz IAQRWCTYUDDFKO-WDEREUQCSA-N 1 2 320.384 0.882 10 0 DCAELO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCN(CC(F)F)[C@H](CC)C1 ZINC000153611539 415983464 /nfs/dbraw/zinc/98/34/64/415983464.db2.gz IAQRWCTYUDDFKO-WDEREUQCSA-N 1 2 320.384 0.882 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2ncn(-c3ccccc3)n2)C1 ZINC000155041552 415993325 /nfs/dbraw/zinc/99/33/25/415993325.db2.gz DZQFEPYQDGPPLF-ZDUSSCGKSA-N 1 2 301.350 0.328 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)c2ncn(-c3ccccc3)n2)C1 ZINC000155041552 415993327 /nfs/dbraw/zinc/99/33/27/415993327.db2.gz DZQFEPYQDGPPLF-ZDUSSCGKSA-N 1 2 301.350 0.328 10 0 DCAELO C[C@H](CNC(=O)N1CCC[C@H](n2cncn2)C1)[NH+]1CCOCC1 ZINC000173827284 416065067 /nfs/dbraw/zinc/06/50/67/416065067.db2.gz JIEXDWWWGUOGLZ-KGLIPLIRSA-N 1 2 322.413 0.345 10 0 DCAELO Cc1nn(C)cc1[C@H](C)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173801561 416065989 /nfs/dbraw/zinc/06/59/89/416065989.db2.gz HUFSNSPJLYNSRS-GXTWGEPZSA-N 1 2 321.425 0.906 10 0 DCAELO CCOCCOCC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000173877905 416068606 /nfs/dbraw/zinc/06/86/06/416068606.db2.gz HKSVSBAAFXOQNP-KBPBESRZSA-N 1 2 300.399 0.219 10 0 DCAELO Cn1nccc1CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000173948992 416069164 /nfs/dbraw/zinc/06/91/64/416069164.db2.gz KIMFOQFUDDQIDV-CQSZACIVSA-N 1 2 307.398 0.426 10 0 DCAELO CCc1nnc2ccc(N3CC[C@H]([NH+]4CCOCC4)C3)nn21 ZINC000173976796 416070590 /nfs/dbraw/zinc/07/05/90/416070590.db2.gz JMJTWUHWBMLNBM-LBPRGKRZSA-N 1 2 302.382 0.598 10 0 DCAELO C[C@@H]1CN(C(=O)C[NH+]2CCN(Cc3ccon3)CC2)C[C@@H](C)O1 ZINC000173936806 416070636 /nfs/dbraw/zinc/07/06/36/416070636.db2.gz PDRGBQISMMPSOJ-ZIAGYGMSSA-N 1 2 322.409 0.428 10 0 DCAELO Cc1cccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000174010052 416072671 /nfs/dbraw/zinc/07/26/71/416072671.db2.gz AECZVFBDSQOSBA-HNNXBMFYSA-N 1 2 317.389 0.867 10 0 DCAELO CO[C@H]1C[C@@H](CO)[N@H+](CC(=O)Nc2nc3c(s2)CCC3)C1 ZINC000344880791 416002484 /nfs/dbraw/zinc/00/24/84/416002484.db2.gz UVQOELIPDBJPAA-UWVGGRQHSA-N 1 2 311.407 0.652 10 0 DCAELO CO[C@H]1C[C@@H](CO)[N@@H+](CC(=O)Nc2nc3c(s2)CCC3)C1 ZINC000344880791 416002487 /nfs/dbraw/zinc/00/24/87/416002487.db2.gz UVQOELIPDBJPAA-UWVGGRQHSA-N 1 2 311.407 0.652 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC(c3ccccc3)=NO2)C1 ZINC000170683883 416029602 /nfs/dbraw/zinc/02/96/02/416029602.db2.gz JCIBXIHZKIXNHI-HIFRSBDPSA-N 1 2 303.362 0.626 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC(c3ccccc3)=NO2)C1 ZINC000170683883 416029605 /nfs/dbraw/zinc/02/96/05/416029605.db2.gz JCIBXIHZKIXNHI-HIFRSBDPSA-N 1 2 303.362 0.626 10 0 DCAELO C[C@@H](CNC(=O)NCCc1ccccc1O)[NH+]1CCOCC1 ZINC000170804590 416031424 /nfs/dbraw/zinc/03/14/24/416031424.db2.gz PKJVCJMVGCWALU-ZDUSSCGKSA-N 1 2 307.394 0.955 10 0 DCAELO CC(C)C(=O)N[C@H]1CCCN(c2nc3c(cnn3C)c(N)[nH+]2)C1 ZINC000302885591 416101911 /nfs/dbraw/zinc/10/19/11/416101911.db2.gz MMSBVGSLDASJJH-JTQLQIEISA-N 1 2 317.397 0.687 10 0 DCAELO CNC(=O)c1ccc(CNc2nc3c(cnn3C)c(N)[nH+]2)cc1 ZINC000302829341 416102084 /nfs/dbraw/zinc/10/20/84/416102084.db2.gz JQAHZYMBDDSRHG-UHFFFAOYSA-N 1 2 311.349 0.917 10 0 DCAELO COc1cc2nc(NC[C@H](CO)C3CC3)[nH+]c(N)c2cc1OC ZINC000357786354 416131871 /nfs/dbraw/zinc/13/18/71/416131871.db2.gz UHNXYTRENCJWBJ-SNVBAGLBSA-N 1 2 318.377 1.082 10 0 DCAELO COCC[N@@H+]1CCN(C(=O)[C@@H]2CCc3[nH]nnc3C2)C[C@@H]1C ZINC000328987129 416143420 /nfs/dbraw/zinc/14/34/20/416143420.db2.gz BZWWRUQNUDBFNV-NWDGAFQWSA-N 1 2 307.398 0.089 10 0 DCAELO COCC[N@H+]1CCN(C(=O)[C@@H]2CCc3[nH]nnc3C2)C[C@@H]1C ZINC000328987129 416143423 /nfs/dbraw/zinc/14/34/23/416143423.db2.gz BZWWRUQNUDBFNV-NWDGAFQWSA-N 1 2 307.398 0.089 10 0 DCAELO COCC[N@@H+]1CCN(C(=O)[C@@H]2CCc3nn[nH]c3C2)C[C@@H]1C ZINC000328987129 416143427 /nfs/dbraw/zinc/14/34/27/416143427.db2.gz BZWWRUQNUDBFNV-NWDGAFQWSA-N 1 2 307.398 0.089 10 0 DCAELO COCC[N@H+]1CCN(C(=O)[C@@H]2CCc3nn[nH]c3C2)C[C@@H]1C ZINC000328987129 416143429 /nfs/dbraw/zinc/14/34/29/416143429.db2.gz BZWWRUQNUDBFNV-NWDGAFQWSA-N 1 2 307.398 0.089 10 0 DCAELO CNC(=O)Cc1nc(C[N@@H+]2CCC[C@@H](C(=O)OC)C2)cs1 ZINC000177594205 416148658 /nfs/dbraw/zinc/14/86/58/416148658.db2.gz QOBNLWCFVPSFDO-SNVBAGLBSA-N 1 2 311.407 0.817 10 0 DCAELO CNC(=O)Cc1nc(C[N@H+]2CCC[C@@H](C(=O)OC)C2)cs1 ZINC000177594205 416148662 /nfs/dbraw/zinc/14/86/62/416148662.db2.gz QOBNLWCFVPSFDO-SNVBAGLBSA-N 1 2 311.407 0.817 10 0 DCAELO Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)no1 ZINC000177814350 416153416 /nfs/dbraw/zinc/15/34/16/416153416.db2.gz YWPSDGJXQOLNRM-LLVKDONJSA-N 1 2 303.322 0.809 10 0 DCAELO O=C1[C@@H]([N@@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)CCN1c1ccccc1 ZINC000329171748 416154361 /nfs/dbraw/zinc/15/43/61/416154361.db2.gz KSAXVFCGPGUBKH-AEGPPILISA-N 1 2 320.414 0.911 10 0 DCAELO O=C1[C@@H]([N@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)CCN1c1ccccc1 ZINC000329171748 416154362 /nfs/dbraw/zinc/15/43/62/416154362.db2.gz KSAXVFCGPGUBKH-AEGPPILISA-N 1 2 320.414 0.911 10 0 DCAELO O=C(/C=C/c1ccc2c(c1)CCO2)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178618271 416166349 /nfs/dbraw/zinc/16/63/49/416166349.db2.gz ZSPFCIVYNGKCJK-ICTCPBKTSA-N 1 2 313.401 0.751 10 0 DCAELO C[NH+]1CCC(CNC(=O)[C@@H]2COCC[NH2+]2)([NH+]2CCCCC2)CC1 ZINC000178891044 416175750 /nfs/dbraw/zinc/17/57/50/416175750.db2.gz WITWOSXRXGVINV-HNNXBMFYSA-N 1 2 324.469 0.041 10 0 DCAELO CC(=O)NC[C@@H]1CN(Cc2c[nH+]c3cc(C)ccn23)CCO1 ZINC000179711710 416191727 /nfs/dbraw/zinc/19/17/27/416191727.db2.gz LONMPJMLLZNTNT-OAHLLOKOSA-N 1 2 302.378 0.980 10 0 DCAELO CC1=CC[N@H+](CCNC(=O)N[C@H](C)CCS(C)(=O)=O)CC1 ZINC000358169463 416205808 /nfs/dbraw/zinc/20/58/08/416205808.db2.gz PQSQYCFBEJSIOR-CYBMUJFWSA-N 1 2 317.455 0.761 10 0 DCAELO CC1=CC[N@@H+](CCNC(=O)N[C@H](C)CCS(C)(=O)=O)CC1 ZINC000358169463 416205809 /nfs/dbraw/zinc/20/58/09/416205809.db2.gz PQSQYCFBEJSIOR-CYBMUJFWSA-N 1 2 317.455 0.761 10 0 DCAELO Cn1ccc(CC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)n1 ZINC000181506185 416208309 /nfs/dbraw/zinc/20/83/09/416208309.db2.gz ZCLWYBFSEFDDNJ-HNNXBMFYSA-N 1 2 306.410 0.676 10 0 DCAELO CNC(=O)[C@H]1C[N@H+](Cc2cnc3nc(C)cc(C)n23)CCO1 ZINC000182433373 416222942 /nfs/dbraw/zinc/22/29/42/416222942.db2.gz YGSHXSFQNYQTCU-CYBMUJFWSA-N 1 2 303.366 0.293 10 0 DCAELO CNC(=O)[C@H]1C[N@@H+](Cc2cnc3nc(C)cc(C)n23)CCO1 ZINC000182433373 416222947 /nfs/dbraw/zinc/22/29/47/416222947.db2.gz YGSHXSFQNYQTCU-CYBMUJFWSA-N 1 2 303.366 0.293 10 0 DCAELO Cc1cc(N2CCC[C@H]([NH2+]Cc3csnn3)C2=O)n(C)n1 ZINC000182483939 416223893 /nfs/dbraw/zinc/22/38/93/416223893.db2.gz CUEPKCNSLAEKDX-NSHDSACASA-N 1 2 306.395 0.865 10 0 DCAELO CC(=O)N1CC[NH+](CCNc2nc(C)nc3[nH]ccc32)CC1 ZINC000348726840 416244511 /nfs/dbraw/zinc/24/45/11/416244511.db2.gz CDHGWWSJJGLWLW-UHFFFAOYSA-N 1 2 302.382 0.842 10 0 DCAELO CNC(=O)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000185781649 416253415 /nfs/dbraw/zinc/25/34/15/416253415.db2.gz RTOFUQIOINDVNO-VXGBXAGGSA-N 1 2 320.393 0.448 10 0 DCAELO CC(C)(CNC(=O)NCc1cc(C(N)=O)co1)[NH+]1CCOCC1 ZINC000189951681 416274753 /nfs/dbraw/zinc/27/47/53/416274753.db2.gz QFJPQJOSPFMTOV-UHFFFAOYSA-N 1 2 324.381 0.289 10 0 DCAELO COCCCCS(=O)(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000191993325 416294800 /nfs/dbraw/zinc/29/48/00/416294800.db2.gz CFMIANCCADUNKN-CHWSQXEVSA-N 1 2 308.444 0.130 10 0 DCAELO COCCCCS(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000191993325 416294805 /nfs/dbraw/zinc/29/48/05/416294805.db2.gz CFMIANCCADUNKN-CHWSQXEVSA-N 1 2 308.444 0.130 10 0 DCAELO O=C(C[NH+]1CCN(c2ccccn2)CC1)NC[C@H](CO)C1CC1 ZINC000359778580 416357771 /nfs/dbraw/zinc/35/77/71/416357771.db2.gz PRUSGDJXSAVESB-OAHLLOKOSA-N 1 2 318.421 0.338 10 0 DCAELO Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000195325903 416326241 /nfs/dbraw/zinc/32/62/41/416326241.db2.gz BGFYVXLIRSVFRE-UHFFFAOYSA-N 1 2 323.418 0.563 10 0 DCAELO CC[N@@H+]1CC[C@H](NS(=O)(=O)c2scnc2C(=O)OC)C1 ZINC000360847971 416413863 /nfs/dbraw/zinc/41/38/63/416413863.db2.gz UEJWCKSJGKJIIU-QMMMGPOBSA-N 1 2 319.408 0.302 10 0 DCAELO CC[N@H+]1CC[C@H](NS(=O)(=O)c2scnc2C(=O)OC)C1 ZINC000360847971 416413864 /nfs/dbraw/zinc/41/38/64/416413864.db2.gz UEJWCKSJGKJIIU-QMMMGPOBSA-N 1 2 319.408 0.302 10 0 DCAELO C[N@@H+]1CCO[C@H]2CN(C(=O)NCc3ccc4cc[nH]c4n3)C[C@@H]21 ZINC000360502198 416393931 /nfs/dbraw/zinc/39/39/31/416393931.db2.gz CCGHXHSEXGPXQM-KBPBESRZSA-N 1 2 315.377 0.787 10 0 DCAELO C[N@H+]1CCO[C@H]2CN(C(=O)NCc3ccc4cc[nH]c4n3)C[C@@H]21 ZINC000360502198 416393933 /nfs/dbraw/zinc/39/39/33/416393933.db2.gz CCGHXHSEXGPXQM-KBPBESRZSA-N 1 2 315.377 0.787 10 0 DCAELO COC(=O)[C@H](C1CC1)[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000434744473 416493451 /nfs/dbraw/zinc/49/34/51/416493451.db2.gz HELGYRJRKPYLNM-STQMWFEESA-N 1 2 316.423 0.438 10 0 DCAELO COC(=O)[C@H](C1CC1)[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000434744473 416493454 /nfs/dbraw/zinc/49/34/54/416493454.db2.gz HELGYRJRKPYLNM-STQMWFEESA-N 1 2 316.423 0.438 10 0 DCAELO C[N@H+](CC(=O)N1CCOCC1)Cc1ccc(-c2cc[nH]n2)o1 ZINC000434835907 416497833 /nfs/dbraw/zinc/49/78/33/416497833.db2.gz IDHQWAGLDOSTOM-UHFFFAOYSA-N 1 2 304.350 0.960 10 0 DCAELO C[N@@H+](CC(=O)N1CCOCC1)Cc1ccc(-c2cc[nH]n2)o1 ZINC000434835907 416497836 /nfs/dbraw/zinc/49/78/36/416497836.db2.gz IDHQWAGLDOSTOM-UHFFFAOYSA-N 1 2 304.350 0.960 10 0 DCAELO O=C1NC(=O)N2CC[N@H+](Cc3ccc4c(c3)OCCO4)C[C@@H]12 ZINC000538712058 416574046 /nfs/dbraw/zinc/57/40/46/416574046.db2.gz HLMVINWOAHCPTH-NSHDSACASA-N 1 2 303.318 0.194 10 0 DCAELO O=C1NC(=O)N2CC[N@@H+](Cc3ccc4c(c3)OCCO4)C[C@@H]12 ZINC000538712058 416574047 /nfs/dbraw/zinc/57/40/47/416574047.db2.gz HLMVINWOAHCPTH-NSHDSACASA-N 1 2 303.318 0.194 10 0 DCAELO Cn1c2nnc(C[N@H+](C)CCCO)n2c2ccsc2c1=O ZINC000440937201 416653905 /nfs/dbraw/zinc/65/39/05/416653905.db2.gz FDFMDTLIBSLUQM-UHFFFAOYSA-N 1 2 307.379 0.457 10 0 DCAELO Cn1c2nnc(C[N@@H+](C)CCCO)n2c2ccsc2c1=O ZINC000440937201 416653908 /nfs/dbraw/zinc/65/39/08/416653908.db2.gz FDFMDTLIBSLUQM-UHFFFAOYSA-N 1 2 307.379 0.457 10 0 DCAELO Cc1nc(N2CCN(C(=O)NCc3cc[nH]n3)CC2)cc[nH+]1 ZINC000545413568 416675750 /nfs/dbraw/zinc/67/57/50/416675750.db2.gz XCQWBKKQTFLIKP-UHFFFAOYSA-N 1 2 301.354 0.540 10 0 DCAELO CC[C@@H](C)[C@H](O)CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000557376554 416733024 /nfs/dbraw/zinc/73/30/24/416733024.db2.gz GMSUGQJVUGSWSM-ZYHUDNBSSA-N 1 2 304.350 0.796 10 0 DCAELO Nc1[nH+]cccc1[C@@H]1c2ccccc2CCN1S(N)(=O)=O ZINC000616689322 417092477 /nfs/dbraw/zinc/09/24/77/417092477.db2.gz BIMZJPLJDKAVBS-ZDUSSCGKSA-N 1 2 304.375 0.815 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCc4c[nH]nc4C3)C[C@H]21 ZINC000408023848 417132329 /nfs/dbraw/zinc/13/23/29/417132329.db2.gz WGSWNSUVWKYEMM-BPLDGKMQSA-N 1 2 319.409 0.382 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCc4c[nH]nc4C3)C[C@H]21 ZINC000408023848 417132337 /nfs/dbraw/zinc/13/23/37/417132337.db2.gz WGSWNSUVWKYEMM-BPLDGKMQSA-N 1 2 319.409 0.382 10 0 DCAELO COCCN(CCOC)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000575471458 417539615 /nfs/dbraw/zinc/53/96/15/417539615.db2.gz JOFKAHKTLZDHOJ-UHFFFAOYSA-N 1 2 320.349 0.394 10 0 DCAELO COc1ccc(F)c(NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2C)c1 ZINC000440288411 287397473 /nfs/dbraw/zinc/39/74/73/287397473.db2.gz YDSNTPZREWNVKE-JTQLQIEISA-N 1 2 309.341 0.935 10 0 DCAELO COc1ccc(F)c(NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000440288411 287397474 /nfs/dbraw/zinc/39/74/74/287397474.db2.gz YDSNTPZREWNVKE-JTQLQIEISA-N 1 2 309.341 0.935 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)NCCCOCC3CC3)C[C@H]21 ZINC000580474179 417705835 /nfs/dbraw/zinc/70/58/35/417705835.db2.gz SCIDISFZIKSNOG-CABCVRRESA-N 1 2 311.426 0.918 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)NCCCOCC3CC3)C[C@H]21 ZINC000580474179 417705839 /nfs/dbraw/zinc/70/58/39/417705839.db2.gz SCIDISFZIKSNOG-CABCVRRESA-N 1 2 311.426 0.918 10 0 DCAELO NC(=O)c1ccc(S(=O)(=O)N2CC[NH+](C3CC3)CC2)cc1 ZINC000299362230 229074755 /nfs/dbraw/zinc/07/47/55/229074755.db2.gz VRHBVSPHBDXJLW-UHFFFAOYSA-N 1 2 309.391 0.254 10 0 DCAELO CCn1cc(CC[N@@H+]2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)cn1 ZINC000299743617 229382601 /nfs/dbraw/zinc/38/26/01/229382601.db2.gz LRNCUTDRSHBPCB-CABCVRRESA-N 1 2 324.400 0.717 10 0 DCAELO CCn1cc(CC[N@H+]2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)cn1 ZINC000299743617 229382607 /nfs/dbraw/zinc/38/26/07/229382607.db2.gz LRNCUTDRSHBPCB-CABCVRRESA-N 1 2 324.400 0.717 10 0 DCAELO C[C@@H](CS(C)(=O)=O)[N@H+](C)Cc1cc(-c2cnn(C)c2)no1 ZINC000185003426 261119645 /nfs/dbraw/zinc/11/96/45/261119645.db2.gz IQSDSFLVGVIKBX-JTQLQIEISA-N 1 2 312.395 0.940 10 0 DCAELO C[C@@H](CS(C)(=O)=O)[N@@H+](C)Cc1cc(-c2cnn(C)c2)no1 ZINC000185003426 261119647 /nfs/dbraw/zinc/11/96/47/261119647.db2.gz IQSDSFLVGVIKBX-JTQLQIEISA-N 1 2 312.395 0.940 10 0 DCAELO C[C@H](CC(=O)NC[C@@H]1C[N@H+](C)CCO1)NC(=O)c1ccccc1 ZINC000194616064 261146613 /nfs/dbraw/zinc/14/66/13/261146613.db2.gz XKVOLOCHUAKILZ-UKRRQHHQSA-N 1 2 319.405 0.642 10 0 DCAELO C[C@H](CC(=O)NC[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1ccccc1 ZINC000194616064 261146614 /nfs/dbraw/zinc/14/66/14/261146614.db2.gz XKVOLOCHUAKILZ-UKRRQHHQSA-N 1 2 319.405 0.642 10 0 DCAELO COc1ncccc1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000194577773 261147048 /nfs/dbraw/zinc/14/70/48/261147048.db2.gz VOEBOYMTCRGPKD-UHFFFAOYSA-N 1 2 304.350 0.335 10 0 DCAELO O=C(NCc1ccn2cc[nH+]c2c1)N1CCN2CCOC[C@H]2C1 ZINC000363998695 262139598 /nfs/dbraw/zinc/13/95/98/262139598.db2.gz LMZUNCPJAQKNDA-CQSZACIVSA-N 1 2 315.377 0.560 10 0 DCAELO COC(=O)[C@@H](C1CC1)[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000359610279 271131864 /nfs/dbraw/zinc/13/18/64/271131864.db2.gz MMKOWSLYAARYDB-ZYHUDNBSSA-N 1 2 304.412 0.199 10 0 DCAELO COC(=O)[C@@H](C1CC1)[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000359610279 271131868 /nfs/dbraw/zinc/13/18/68/271131868.db2.gz MMKOWSLYAARYDB-ZYHUDNBSSA-N 1 2 304.412 0.199 10 0 DCAELO C[C@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CCNC(=O)CC1 ZINC000122612741 278144232 /nfs/dbraw/zinc/14/42/32/278144232.db2.gz WGSKGGBJSQFJQX-CYBMUJFWSA-N 1 2 301.390 0.782 10 0 DCAELO C[C@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CCNC(=O)CC1 ZINC000122612741 278144234 /nfs/dbraw/zinc/14/42/34/278144234.db2.gz WGSKGGBJSQFJQX-CYBMUJFWSA-N 1 2 301.390 0.782 10 0 DCAELO O=C(c1cn2cccnc2n1)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000548885625 288184526 /nfs/dbraw/zinc/18/45/26/288184526.db2.gz KPZNJHPXHVFFCN-ZDUSSCGKSA-N 1 2 308.345 0.911 10 0 DCAELO CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000556762422 288391848 /nfs/dbraw/zinc/39/18/48/288391848.db2.gz KEPAAQFMWSDYDU-CQSZACIVSA-N 1 2 302.382 0.939 10 0 DCAELO CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000556762422 288391851 /nfs/dbraw/zinc/39/18/51/288391851.db2.gz KEPAAQFMWSDYDU-CQSZACIVSA-N 1 2 302.382 0.939 10 0 DCAELO O=C(NC[C@]1(O)CCSC1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000557377591 288418513 /nfs/dbraw/zinc/41/85/13/288418513.db2.gz NACXXNAUIXOPMH-CQSZACIVSA-N 1 2 320.374 0.257 10 0 DCAELO C[C@@H]1[C@H](C)N(S(=O)(=O)c2cccc(C(N)=O)c2)CC[N@H+]1C ZINC000408082458 289015287 /nfs/dbraw/zinc/01/52/87/289015287.db2.gz GTOODGLYBAPMJS-MNOVXSKESA-N 1 2 311.407 0.499 10 0 DCAELO C[C@@H]1[C@H](C)N(S(=O)(=O)c2cccc(C(N)=O)c2)CC[N@@H+]1C ZINC000408082458 289015289 /nfs/dbraw/zinc/01/52/89/289015289.db2.gz GTOODGLYBAPMJS-MNOVXSKESA-N 1 2 311.407 0.499 10 0 DCAELO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1cc2n(n1)CCCO2 ZINC000329589219 289047612 /nfs/dbraw/zinc/04/76/12/289047612.db2.gz SOZCMCSYSSYDIK-TZMCWYRMSA-N 1 2 320.393 0.601 10 0 DCAELO C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)S(C)(=O)=O ZINC000180160597 298176321 /nfs/dbraw/zinc/17/63/21/298176321.db2.gz LKRCKDBGWMRKJZ-MRVWCRGKSA-N 1 2 310.419 0.981 10 0 DCAELO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)S(C)(=O)=O ZINC000180160597 298176323 /nfs/dbraw/zinc/17/63/23/298176323.db2.gz LKRCKDBGWMRKJZ-MRVWCRGKSA-N 1 2 310.419 0.981 10 0 DCAELO C[C@H]1CN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CCS1(=O)=O ZINC000172373749 300160931 /nfs/dbraw/zinc/16/09/31/300160931.db2.gz UPXYIWNPYZLIFF-DZGCQCFKSA-N 1 2 324.446 0.805 10 0 DCAELO Cn1cc([C@H]2C[NH2+]CCN2S(=O)(=O)c2ccc(F)cc2)cn1 ZINC000181702818 302937262 /nfs/dbraw/zinc/93/72/62/302937262.db2.gz STMVZCRTCGMLAA-CQSZACIVSA-N 1 2 324.381 0.894 10 0 DCAELO O=C(NC[C@H]1CCCn2cc[nH+]c21)N[C@@H]1CCc2ncnn2C1 ZINC000332693980 332855788 /nfs/dbraw/zinc/85/57/88/332855788.db2.gz VNGNCYNGTKWURP-VXGBXAGGSA-N 1 2 315.381 0.666 10 0 DCAELO CSC[C@H](C)C(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000328654397 533765302 /nfs/dbraw/zinc/76/53/02/533765302.db2.gz XJMMWCHBODWMDB-WDEREUQCSA-N 1 2 303.428 0.680 10 0 DCAELO CSC[C@H](C)C(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000328654397 533765310 /nfs/dbraw/zinc/76/53/10/533765310.db2.gz XJMMWCHBODWMDB-WDEREUQCSA-N 1 2 303.428 0.680 10 0 DCAELO COc1ccc(CNC(=O)C[N@@H+]2CCOC[C@@H]2C[C@H](C)O)cc1 ZINC000156830882 524051221 /nfs/dbraw/zinc/05/12/21/524051221.db2.gz FXPQCCLCCLLYLX-ZFWWWQNUSA-N 1 2 322.405 0.783 10 0 DCAELO COc1ccc(CNC(=O)C[N@H+]2CCOC[C@@H]2C[C@H](C)O)cc1 ZINC000156830882 524051222 /nfs/dbraw/zinc/05/12/22/524051222.db2.gz FXPQCCLCCLLYLX-ZFWWWQNUSA-N 1 2 322.405 0.783 10 0 DCAELO COc1ccc(CNC(=O)C[N@@H+]2CCOC[C@H]2C[C@@H](C)O)cc1 ZINC000156830743 524051243 /nfs/dbraw/zinc/05/12/43/524051243.db2.gz FXPQCCLCCLLYLX-UKRRQHHQSA-N 1 2 322.405 0.783 10 0 DCAELO COc1ccc(CNC(=O)C[N@H+]2CCOC[C@H]2C[C@@H](C)O)cc1 ZINC000156830743 524051245 /nfs/dbraw/zinc/05/12/45/524051245.db2.gz FXPQCCLCCLLYLX-UKRRQHHQSA-N 1 2 322.405 0.783 10 0 DCAELO Cc1cccc(C)c1NCC(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000128148257 524301386 /nfs/dbraw/zinc/30/13/86/524301386.db2.gz RTAVLNCZQFEHNH-HNNXBMFYSA-N 1 2 321.421 0.525 10 0 DCAELO CC(=O)c1ccc(C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1O ZINC000331314203 527245028 /nfs/dbraw/zinc/24/50/28/527245028.db2.gz CPAFPDDANBUABO-NSHDSACASA-N 1 2 306.362 0.733 10 0 DCAELO CC(=O)c1ccc(C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1O ZINC000331314203 527245040 /nfs/dbraw/zinc/24/50/40/527245040.db2.gz CPAFPDDANBUABO-NSHDSACASA-N 1 2 306.362 0.733 10 0 DCAELO CCN1CCN(C(=O)[C@]2(O)CCSC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000328614602 529133488 /nfs/dbraw/zinc/13/34/88/529133488.db2.gz ALZCHUCWIJUZEH-RISCZKNCSA-N 1 2 310.423 0.483 10 0 DCAELO C[NH2+][C@@H](Cn1cc(I)cn1)C(=O)OC ZINC000070678637 545661642 /nfs/dbraw/zinc/66/16/42/545661642.db2.gz QLHIRTWWYVWASI-ZETCQYMHSA-N 1 2 309.107 0.249 10 0 DCAELO C[N@H+](CCS(C)(=O)=O)C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724096885 657959648 /nfs/dbraw/zinc/95/96/48/657959648.db2.gz QDAJZNMVSNKIAQ-ZETCQYMHSA-N 1 2 313.288 0.911 10 0 DCAELO C[N@@H+](CCS(C)(=O)=O)C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724096885 657959655 /nfs/dbraw/zinc/95/96/55/657959655.db2.gz QDAJZNMVSNKIAQ-ZETCQYMHSA-N 1 2 313.288 0.911 10 0 DCAELO C[C@H]1C[N@H+](C)C[C@H](C(=O)NCCN=S2(=O)CCCC2)O1 ZINC000898433254 663090665 /nfs/dbraw/zinc/09/06/65/663090665.db2.gz PSWAZPDKHYIROL-NWDGAFQWSA-N 1 2 303.428 0.084 10 0 DCAELO C[C@H]1C[N@@H+](C)C[C@H](C(=O)NCCN=S2(=O)CCCC2)O1 ZINC000898433254 663090666 /nfs/dbraw/zinc/09/06/66/663090666.db2.gz PSWAZPDKHYIROL-NWDGAFQWSA-N 1 2 303.428 0.084 10 0 DCAELO Cc1c(C(=O)N2CCN(c3cccc[nH+]3)CC2)nn2c1OCC2 ZINC000223826931 664423828 /nfs/dbraw/zinc/42/38/28/664423828.db2.gz AIUVPJIXUOZRFE-UHFFFAOYSA-N 1 2 313.361 0.941 10 0 DCAELO COC(=O)[C@@H]1CCC[N@H+](CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C1 ZINC000151655359 664710636 /nfs/dbraw/zinc/71/06/36/664710636.db2.gz DSTYLSCSFDVULH-UPJWGTAASA-N 1 2 306.362 0.780 10 0 DCAELO COC(=O)[C@@H]1CCC[N@@H+](CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C1 ZINC000151655359 664710637 /nfs/dbraw/zinc/71/06/37/664710637.db2.gz DSTYLSCSFDVULH-UPJWGTAASA-N 1 2 306.362 0.780 10 0 DCAELO C[C@@H]1C[C@H]1CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731682184 664876955 /nfs/dbraw/zinc/87/69/55/664876955.db2.gz HKYOENFVWXADJW-NEPJUHHUSA-N 1 2 317.455 0.451 10 0 DCAELO CCOCCCNC(=S)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000135030610 667563554 /nfs/dbraw/zinc/56/35/54/667563554.db2.gz XRVKRRROPJNKSQ-CYBMUJFWSA-N 1 2 301.456 0.694 10 0 DCAELO O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[C@@H](O)C12CCOCC2 ZINC000886992668 667828913 /nfs/dbraw/zinc/82/89/13/667828913.db2.gz SWPHZTRISZCSLU-ZIAGYGMSSA-N 1 2 319.405 0.808 10 0 DCAELO Cc1n[nH]cc1S(=O)(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000720485504 685313139 /nfs/dbraw/zinc/31/31/39/685313139.db2.gz VNOJSRLWNKTLHO-QWRGUYRKSA-N 1 2 316.452 0.576 10 0 DCAELO Cc1n[nH]cc1S(=O)(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000720485504 685313144 /nfs/dbraw/zinc/31/31/44/685313144.db2.gz VNOJSRLWNKTLHO-QWRGUYRKSA-N 1 2 316.452 0.576 10 0 DCAELO C[C@H](CNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1)N1CCOCC1 ZINC000177394619 685146642 /nfs/dbraw/zinc/14/66/42/685146642.db2.gz SJYUOCWZRVSTMZ-CABCVRRESA-N 1 2 321.425 0.778 10 0 DCAELO CC(=O)N[C@@H]1CCC[N@H+](CN2C[C@@H](c3ccccn3)CC2=O)C1 ZINC000247081232 685169261 /nfs/dbraw/zinc/16/92/61/685169261.db2.gz HUYNSEVYAIVQEH-LSDHHAIUSA-N 1 2 316.405 0.956 10 0 DCAELO CC(=O)N[C@@H]1CCC[N@@H+](CN2C[C@@H](c3ccccn3)CC2=O)C1 ZINC000247081232 685169263 /nfs/dbraw/zinc/16/92/63/685169263.db2.gz HUYNSEVYAIVQEH-LSDHHAIUSA-N 1 2 316.405 0.956 10 0 DCAELO CO[C@H]1CC(=O)N(C[N@@H+]2CCC[C@H](Cc3noc(C)n3)C2)C1 ZINC000249259531 685178380 /nfs/dbraw/zinc/17/83/80/685178380.db2.gz HUJCXIJKXZJMMX-OLZOCXBDSA-N 1 2 308.382 0.837 10 0 DCAELO CO[C@H]1CC(=O)N(C[N@H+]2CCC[C@H](Cc3noc(C)n3)C2)C1 ZINC000249259531 685178385 /nfs/dbraw/zinc/17/83/85/685178385.db2.gz HUJCXIJKXZJMMX-OLZOCXBDSA-N 1 2 308.382 0.837 10 0 DCAELO OC[C@H]1CCCN1c1cc(N2CCO[C@@H](C(F)F)C2)[nH+]cn1 ZINC000249280598 685179022 /nfs/dbraw/zinc/17/90/22/685179022.db2.gz MNWQJKYCTOKBBF-GHMZBOCLSA-N 1 2 314.336 0.908 10 0 DCAELO OC[C@H]1CCCN1c1cc(N2CCO[C@@H](C(F)F)C2)nc[nH+]1 ZINC000249280598 685179025 /nfs/dbraw/zinc/17/90/25/685179025.db2.gz MNWQJKYCTOKBBF-GHMZBOCLSA-N 1 2 314.336 0.908 10 0 DCAELO Cc1noc([C@H]2C[C@H](O)C[N@@H+]2CCC(=O)N2CCCCC2)n1 ZINC000328638902 231273450 /nfs/dbraw/zinc/27/34/50/231273450.db2.gz WSNPDPVJWXUFAH-QWHCGFSZSA-N 1 2 308.382 0.888 10 0 DCAELO Cc1noc([C@H]2C[C@H](O)C[N@H+]2CCC(=O)N2CCCCC2)n1 ZINC000328638902 231273453 /nfs/dbraw/zinc/27/34/53/231273453.db2.gz WSNPDPVJWXUFAH-QWHCGFSZSA-N 1 2 308.382 0.888 10 0 DCAELO Cn1cc(CCC(=O)N(CC2CC2)C[C@H]2C[N@H+](C)CCO2)cn1 ZINC000328625141 231256944 /nfs/dbraw/zinc/25/69/44/231256944.db2.gz CUBXTOXSLCVTNJ-MRXNPFEDSA-N 1 2 320.437 0.922 10 0 DCAELO Cn1cc(CCC(=O)N(CC2CC2)C[C@H]2C[N@@H+](C)CCO2)cn1 ZINC000328625141 231256950 /nfs/dbraw/zinc/25/69/50/231256950.db2.gz CUBXTOXSLCVTNJ-MRXNPFEDSA-N 1 2 320.437 0.922 10 0 DCAELO CCOc1cccc(C(=O)NC[C@H](O)C[NH+]2CCOCC2)c1 ZINC000097000987 185396178 /nfs/dbraw/zinc/39/61/78/185396178.db2.gz NDDNERZBKHEDSX-AWEZNQCLSA-N 1 2 308.378 0.508 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)c2cc(OCC(F)F)ccn2)C1 ZINC000181547064 199314507 /nfs/dbraw/zinc/31/45/07/199314507.db2.gz MKXXNTOMRQNDGG-LLVKDONJSA-N 1 2 315.320 0.786 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)c2cc(OCC(F)F)ccn2)C1 ZINC000181547064 199314509 /nfs/dbraw/zinc/31/45/09/199314509.db2.gz MKXXNTOMRQNDGG-LLVKDONJSA-N 1 2 315.320 0.786 10 0 DCAELO Cc1nc2ccc(N(CC3CC3)C[C@H]3C[N@H+](C)CCO3)nn2n1 ZINC000286696504 219115147 /nfs/dbraw/zinc/11/51/47/219115147.db2.gz ODQGDBRKVOPHHR-CQSZACIVSA-N 1 2 316.409 0.980 10 0 DCAELO Cc1nc2ccc(N(CC3CC3)C[C@H]3C[N@@H+](C)CCO3)nn2n1 ZINC000286696504 219115148 /nfs/dbraw/zinc/11/51/48/219115148.db2.gz ODQGDBRKVOPHHR-CQSZACIVSA-N 1 2 316.409 0.980 10 0 DCAELO Cc1cccc2c1N(C(=O)C(=O)NC[C@H]1C[N@H+](C)CCO1)CC2 ZINC000172308430 198077165 /nfs/dbraw/zinc/07/71/65/198077165.db2.gz XKULZMMPDPMVMI-AWEZNQCLSA-N 1 2 317.389 0.331 10 0 DCAELO Cc1cccc2c1N(C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCO1)CC2 ZINC000172308430 198077166 /nfs/dbraw/zinc/07/71/66/198077166.db2.gz XKULZMMPDPMVMI-AWEZNQCLSA-N 1 2 317.389 0.331 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)Nc2nc3c(s2)COCC3)C1 ZINC000172421501 198094956 /nfs/dbraw/zinc/09/49/56/198094956.db2.gz UUGPUGOCEOMODX-SECBINFHSA-N 1 2 312.395 0.668 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)Nc2nc3c(s2)COCC3)C1 ZINC000172421501 198094958 /nfs/dbraw/zinc/09/49/58/198094958.db2.gz UUGPUGOCEOMODX-SECBINFHSA-N 1 2 312.395 0.668 10 0 DCAELO O=C(N[C@H]1CCCn2ncnc21)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000333113609 295876057 /nfs/dbraw/zinc/87/60/57/295876057.db2.gz YCJBRDVVTCIGQU-STQMWFEESA-N 1 2 320.397 0.229 10 0 DCAELO O=C(N[C@@H]1CCc2ncnn2C1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177536594 198740682 /nfs/dbraw/zinc/74/06/82/198740682.db2.gz RJDSYVCPBTULNW-CHWSQXEVSA-N 1 2 315.381 0.664 10 0 DCAELO C[C@H]1CN(S(=O)(=O)c2cccc(F)c2)CC[N@@H+]1CCO ZINC000188729049 200296140 /nfs/dbraw/zinc/29/61/40/200296140.db2.gz KKCGXHPQOWPCQV-NSHDSACASA-N 1 2 302.371 0.513 10 0 DCAELO C[C@H]1CN(S(=O)(=O)c2cccc(F)c2)CC[N@H+]1CCO ZINC000188729049 200296142 /nfs/dbraw/zinc/29/61/42/200296142.db2.gz KKCGXHPQOWPCQV-NSHDSACASA-N 1 2 302.371 0.513 10 0 DCAELO CC(C)[C@@H](O)CC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000156489280 291225089 /nfs/dbraw/zinc/22/50/89/291225089.db2.gz WOPDNCUSUBZRNJ-AWEZNQCLSA-N 1 2 321.425 0.122 10 0 DCAELO Cn1ccc(NC(=O)N(CC2CC2)C[C@H]2C[N@H+](C)CCO2)n1 ZINC000275680231 238309383 /nfs/dbraw/zinc/30/93/83/238309383.db2.gz MARMKKSNXICIJD-CYBMUJFWSA-N 1 2 307.398 0.995 10 0 DCAELO Cn1ccc(NC(=O)N(CC2CC2)C[C@H]2C[N@@H+](C)CCO2)n1 ZINC000275680231 238309392 /nfs/dbraw/zinc/30/93/92/238309392.db2.gz MARMKKSNXICIJD-CYBMUJFWSA-N 1 2 307.398 0.995 10 0 DCAELO CCN(CC)C(=O)CN1CCC[N@H+](Cc2cncnc2)CC1 ZINC000129213968 545781735 /nfs/dbraw/zinc/78/17/35/545781735.db2.gz OEZBWVAQZPVXDG-UHFFFAOYSA-N 1 2 305.426 0.853 10 0 DCAELO CCN(CC)C(=O)CN1CCC[N@@H+](Cc2cncnc2)CC1 ZINC000129213968 545781741 /nfs/dbraw/zinc/78/17/41/545781741.db2.gz OEZBWVAQZPVXDG-UHFFFAOYSA-N 1 2 305.426 0.853 10 0 DCAELO CN(CCNC(=O)NC[C@@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000104797491 194042477 /nfs/dbraw/zinc/04/24/77/194042477.db2.gz MOHWZCVDFQJVDR-OAHLLOKOSA-N 1 2 306.410 0.753 10 0 DCAELO CN(CCNC(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000104797491 194042480 /nfs/dbraw/zinc/04/24/80/194042480.db2.gz MOHWZCVDFQJVDR-OAHLLOKOSA-N 1 2 306.410 0.753 10 0 DCAELO Cc1cnn(C[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)CCO2)c1 ZINC000105892469 194160102 /nfs/dbraw/zinc/16/01/02/194160102.db2.gz BMDBVOGTNOHVTP-ZDUSSCGKSA-N 1 2 306.366 0.041 10 0 DCAELO Cc1cnn(C[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)CCO2)c1 ZINC000105892469 194160103 /nfs/dbraw/zinc/16/01/03/194160103.db2.gz BMDBVOGTNOHVTP-ZDUSSCGKSA-N 1 2 306.366 0.041 10 0 DCAELO CC1CCN(c2ccc(CNC(=O)CNC(N)=O)c[nH+]2)CC1 ZINC000058929725 184132115 /nfs/dbraw/zinc/13/21/15/184132115.db2.gz XMLXMUPDVQFWBU-UHFFFAOYSA-N 1 2 305.382 0.602 10 0 DCAELO CNC(=O)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000185781609 252613051 /nfs/dbraw/zinc/61/30/51/252613051.db2.gz RTOFUQIOINDVNO-TXEJJXNPSA-N 1 2 320.393 0.448 10 0 DCAELO CNC(=O)[C@@H]1CN(C(=O)c2cc(C3CC3)on2)Cc2c[nH+]cn21 ZINC000247949318 257112945 /nfs/dbraw/zinc/11/29/45/257112945.db2.gz LCTKXEDSBIEEDB-LBPRGKRZSA-N 1 2 315.333 0.692 10 0 DCAELO O=C(CCC1CCOCC1)NC[C@H](O)C[NH+]1CCOCC1 ZINC000132974732 545795416 /nfs/dbraw/zinc/79/54/16/545795416.db2.gz GAJYJLOIEMLFKN-AWEZNQCLSA-N 1 2 300.399 0.003 10 0 DCAELO COC(=O)C1CCC(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CC1 ZINC000179924744 533273170 /nfs/dbraw/zinc/27/31/70/533273170.db2.gz CFPIUZCAMLDLQV-NRXISQOPSA-N 1 2 324.421 0.899 10 0 DCAELO COCc1ccc(CN2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)cc1 ZINC000275804803 130388901 /nfs/dbraw/zinc/38/89/01/130388901.db2.gz TVGCCJUKHBMQRB-INIZCTEOSA-N 1 2 321.421 0.451 10 0 DCAELO COCc1ccc(CN2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)cc1 ZINC000275804803 130388903 /nfs/dbraw/zinc/38/89/03/130388903.db2.gz TVGCCJUKHBMQRB-INIZCTEOSA-N 1 2 321.421 0.451 10 0 DCAELO COc1ncccc1CNC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000284005515 131040336 /nfs/dbraw/zinc/04/03/36/131040336.db2.gz MSRADTGWEOLJMG-UONOGXRCSA-N 1 2 320.393 0.705 10 0 DCAELO COc1ncccc1CNC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000284005515 131040337 /nfs/dbraw/zinc/04/03/37/131040337.db2.gz MSRADTGWEOLJMG-UONOGXRCSA-N 1 2 320.393 0.705 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3nccn4ccnc34)C[C@@H]21 ZINC000284528819 131089395 /nfs/dbraw/zinc/08/93/95/131089395.db2.gz CIIBXGQHPYMAHN-NWDGAFQWSA-N 1 2 301.350 0.274 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3nccn4ccnc34)C[C@@H]21 ZINC000284528819 131089397 /nfs/dbraw/zinc/08/93/97/131089397.db2.gz CIIBXGQHPYMAHN-NWDGAFQWSA-N 1 2 301.350 0.274 10 0 DCAELO C[C@H](C[NH+]1CCN(Cc2ccncc2)CC1)CS(C)(=O)=O ZINC000119755950 132135624 /nfs/dbraw/zinc/13/56/24/132135624.db2.gz QUNRYRHDRUISTC-CQSZACIVSA-N 1 2 311.451 0.880 10 0 DCAELO C[C@@H]1CN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@@H](C)O1 ZINC000015255225 395689911 /nfs/dbraw/zinc/68/99/11/395689911.db2.gz VPYWHPHCNVOGHB-ZIAGYGMSSA-N 1 2 313.442 0.323 10 0 DCAELO Cc1ccc(CC(=O)NC[C@@H](O)C[NH+]2CCOCC2)cc1O ZINC000089435937 395711605 /nfs/dbraw/zinc/71/16/05/395711605.db2.gz CHEFVAWMNGZIKL-CQSZACIVSA-N 1 2 308.378 0.052 10 0 DCAELO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CC(=O)NC(=O)NC1CC1 ZINC000041624663 395738406 /nfs/dbraw/zinc/73/84/06/395738406.db2.gz NUZPPAPWWRSXOV-WXHSDQCUSA-N 1 2 323.393 0.781 10 0 DCAELO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CC(=O)NC(=O)NC1CC1 ZINC000041624663 395738408 /nfs/dbraw/zinc/73/84/08/395738408.db2.gz NUZPPAPWWRSXOV-WXHSDQCUSA-N 1 2 323.393 0.781 10 0 DCAELO C[C@@H](CNC(=O)N(CCO)Cc1ccccc1)[NH+]1CCOCC1 ZINC000097427940 395757666 /nfs/dbraw/zinc/75/76/66/395757666.db2.gz BYJBWPWNGNWTJU-HNNXBMFYSA-N 1 2 321.421 0.911 10 0 DCAELO NC(=O)N1CCC[N@H+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CC1 ZINC000111688380 395812055 /nfs/dbraw/zinc/81/20/55/395812055.db2.gz LAJPMAQWMIPLTR-ZIAGYGMSSA-N 1 2 324.425 0.243 10 0 DCAELO NC(=O)N1CCC[N@@H+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CC1 ZINC000111688380 395812059 /nfs/dbraw/zinc/81/20/59/395812059.db2.gz LAJPMAQWMIPLTR-ZIAGYGMSSA-N 1 2 324.425 0.243 10 0 DCAELO COCC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(F)c2)C[C@@H]1C ZINC000117522601 395852897 /nfs/dbraw/zinc/85/28/97/395852897.db2.gz DJZOBPKIVJFBSN-LBPRGKRZSA-N 1 2 323.368 0.943 10 0 DCAELO COCC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(F)c2)C[C@@H]1C ZINC000117522601 395852900 /nfs/dbraw/zinc/85/29/00/395852900.db2.gz DJZOBPKIVJFBSN-LBPRGKRZSA-N 1 2 323.368 0.943 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)CCOc2cccc(C=O)c2)C1 ZINC000109264583 395797418 /nfs/dbraw/zinc/79/74/18/395797418.db2.gz PXDQYKKVLOUFKI-OAHLLOKOSA-N 1 2 306.362 0.715 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)CCOc2cccc(C=O)c2)C1 ZINC000109264583 395797420 /nfs/dbraw/zinc/79/74/20/395797420.db2.gz PXDQYKKVLOUFKI-OAHLLOKOSA-N 1 2 306.362 0.715 10 0 DCAELO CC[C@H](CO)[NH+]1CCN(c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000273276919 395910879 /nfs/dbraw/zinc/91/08/79/395910879.db2.gz CSMLLYRNHWNZCG-CYBMUJFWSA-N 1 2 312.435 0.983 10 0 DCAELO CCc1nn(C)c(Cl)c1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000119854125 395877407 /nfs/dbraw/zinc/87/74/07/395877407.db2.gz KTTXCUXSUVESHD-SECBINFHSA-N 1 2 300.790 0.696 10 0 DCAELO CCc1nn(C)c(Cl)c1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000119854125 395877411 /nfs/dbraw/zinc/87/74/11/395877411.db2.gz KTTXCUXSUVESHD-SECBINFHSA-N 1 2 300.790 0.696 10 0 DCAELO CN(C)c1ccccc1NC(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000119873698 395878356 /nfs/dbraw/zinc/87/83/56/395878356.db2.gz ZKDQULBLMMAGJD-ZDUSSCGKSA-N 1 2 322.409 0.567 10 0 DCAELO CCC[N@H+](CC(=O)NC(N)=O)[C@H](C)C(=O)Nc1ccccc1 ZINC000120032489 395880658 /nfs/dbraw/zinc/88/06/58/395880658.db2.gz SLJMSUMYTUMAGK-LLVKDONJSA-N 1 2 306.366 0.921 10 0 DCAELO CCC[N@@H+](CC(=O)NC(N)=O)[C@H](C)C(=O)Nc1ccccc1 ZINC000120032489 395880660 /nfs/dbraw/zinc/88/06/60/395880660.db2.gz SLJMSUMYTUMAGK-LLVKDONJSA-N 1 2 306.366 0.921 10 0 DCAELO CC(C)Cn1cc[nH+]c1CNC(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000152040792 395998366 /nfs/dbraw/zinc/99/83/66/395998366.db2.gz FCMCXCRUJUMASD-LBPRGKRZSA-N 1 2 320.397 0.458 10 0 DCAELO CC[C@@H](C)NC(=O)CCNC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000056863668 395934591 /nfs/dbraw/zinc/93/45/91/395934591.db2.gz BTJZYNVAAXEKKZ-OLZOCXBDSA-N 1 2 314.430 0.311 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2CCCc3[nH]ncc32)C[C@@H]1C ZINC000246085189 395940825 /nfs/dbraw/zinc/94/08/25/395940825.db2.gz IGGCJJURGPMFDL-AVGNSLFASA-N 1 2 306.410 0.743 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2CCCc3[nH]ncc32)C[C@@H]1C ZINC000246085189 395940828 /nfs/dbraw/zinc/94/08/28/395940828.db2.gz IGGCJJURGPMFDL-AVGNSLFASA-N 1 2 306.410 0.743 10 0 DCAELO COC(=O)CC(C)(C)CC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000136361501 395945985 /nfs/dbraw/zinc/94/59/85/395945985.db2.gz ZTCBUDRSXCNTKU-GFCCVEGCSA-N 1 2 300.399 0.803 10 0 DCAELO O=C(C1CC(=O)C1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000136954041 395949370 /nfs/dbraw/zinc/94/93/70/395949370.db2.gz WJNXIHVGIQSGMR-INIZCTEOSA-N 1 2 302.374 0.843 10 0 DCAELO COC[C@@H](C)NC(=O)NC(=O)C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000246428687 395949962 /nfs/dbraw/zinc/94/99/62/395949962.db2.gz UZYWYCMBGJCNKF-YPMHNXCESA-N 1 2 323.397 0.797 10 0 DCAELO COC[C@@H](C)NC(=O)NC(=O)C[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000246428687 395949964 /nfs/dbraw/zinc/94/99/64/395949964.db2.gz UZYWYCMBGJCNKF-YPMHNXCESA-N 1 2 323.397 0.797 10 0 DCAELO COCCc1noc(CN2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1 ZINC000246533224 395951866 /nfs/dbraw/zinc/95/18/66/395951866.db2.gz SFFVGHRHDYPCPP-CHWSQXEVSA-N 1 2 310.398 0.411 10 0 DCAELO COCCc1noc(C[N@@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)n1 ZINC000246533224 395951868 /nfs/dbraw/zinc/95/18/68/395951868.db2.gz SFFVGHRHDYPCPP-CHWSQXEVSA-N 1 2 310.398 0.411 10 0 DCAELO COCCc1noc(C[N@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)n1 ZINC000246533224 395951870 /nfs/dbraw/zinc/95/18/70/395951870.db2.gz SFFVGHRHDYPCPP-CHWSQXEVSA-N 1 2 310.398 0.411 10 0 DCAELO Cc1ccc(NC(=O)NC[C@H]2C[N@H+](C)CCO2)cc1C(N)=O ZINC000150837068 395973300 /nfs/dbraw/zinc/97/33/00/395973300.db2.gz KVZZYTBJKGXGKQ-LBPRGKRZSA-N 1 2 306.366 0.546 10 0 DCAELO Cc1ccc(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1C(N)=O ZINC000150837068 395973304 /nfs/dbraw/zinc/97/33/04/395973304.db2.gz KVZZYTBJKGXGKQ-LBPRGKRZSA-N 1 2 306.366 0.546 10 0 DCAELO CCN(CC1CC1)S(=O)(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000248632931 395991817 /nfs/dbraw/zinc/99/18/17/395991817.db2.gz IRMDQXJQTPJBCE-CQSZACIVSA-N 1 2 317.455 0.370 10 0 DCAELO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCS1(=O)=O ZINC000153282292 396023218 /nfs/dbraw/zinc/02/32/18/396023218.db2.gz XHGUCYAIFWRYQR-QWHCGFSZSA-N 1 2 302.440 0.943 10 0 DCAELO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCS1(=O)=O ZINC000153282292 396023219 /nfs/dbraw/zinc/02/32/19/396023219.db2.gz XHGUCYAIFWRYQR-QWHCGFSZSA-N 1 2 302.440 0.943 10 0 DCAELO CN(C)C(=O)c1cccc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000171294576 396113622 /nfs/dbraw/zinc/11/36/22/396113622.db2.gz KBLDNJOOPSSKAP-CQSZACIVSA-N 1 2 305.378 0.449 10 0 DCAELO CN(C)C(=O)c1cccc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000171294576 396113625 /nfs/dbraw/zinc/11/36/25/396113625.db2.gz KBLDNJOOPSSKAP-CQSZACIVSA-N 1 2 305.378 0.449 10 0 DCAELO COc1ccnc(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000173880109 396136125 /nfs/dbraw/zinc/13/61/25/396136125.db2.gz BTCVEKQSSCVJFG-DOMZBBRYSA-N 1 2 305.378 0.883 10 0 DCAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)CN1CCOCC1=O)C2 ZINC000279267758 396161874 /nfs/dbraw/zinc/16/18/74/396161874.db2.gz KDHMQGAAHDGOAQ-UHFFFAOYSA-N 1 2 320.393 0.287 10 0 DCAELO CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCN3CCCC[C@@H]3C2)CC1 ZINC000177773893 396183207 /nfs/dbraw/zinc/18/32/07/396183207.db2.gz XEUIUNXNFUAOOZ-GOEBONIOSA-N 1 2 322.453 0.236 10 0 DCAELO CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCN3CCCC[C@@H]3C2)CC1 ZINC000177773893 396183210 /nfs/dbraw/zinc/18/32/10/396183210.db2.gz XEUIUNXNFUAOOZ-GOEBONIOSA-N 1 2 322.453 0.236 10 0 DCAELO O=C(NCc1ccccc1OCCO)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263296025 396211760 /nfs/dbraw/zinc/21/17/60/396211760.db2.gz WHSSMHVBZWZPKN-LLVKDONJSA-N 1 2 300.305 0.671 10 0 DCAELO O=C(Nc1ccc(N2CCOCC2)cn1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262944956 396194103 /nfs/dbraw/zinc/19/41/03/396194103.db2.gz JCIVUSHBUUNMLV-LLVKDONJSA-N 1 2 312.320 0.854 10 0 DCAELO CC1(C)NC(=O)N(CC(=O)NCc2ccn3cc[nH+]c3c2)C1=O ZINC000178378752 396195040 /nfs/dbraw/zinc/19/50/40/396195040.db2.gz VEBSZDDNGZMGMR-UHFFFAOYSA-N 1 2 315.333 0.281 10 0 DCAELO O=C(CCC(=O)N1CCOCC1)NCc1cn2c([nH+]1)CCCC2 ZINC000263875546 396238865 /nfs/dbraw/zinc/23/88/65/396238865.db2.gz VHUKXIUPWCNOGJ-UHFFFAOYSA-N 1 2 320.393 0.475 10 0 DCAELO Cn1ncnc1CNc1[nH+]cnc2c1c(Br)nn2C ZINC000078677400 396251909 /nfs/dbraw/zinc/25/19/09/396251909.db2.gz OWHGHRUSNMHLIC-UHFFFAOYSA-N 1 2 323.158 0.866 10 0 DCAELO O=C(NCCCn1ccnn1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000183056882 396259826 /nfs/dbraw/zinc/25/98/26/396259826.db2.gz NEVGBRWIPUGTKG-ZDUSSCGKSA-N 1 2 315.381 0.641 10 0 DCAELO C[N@@H+](CC(N)=O)C[C@@H]1CN([C@H]2CCc3ccc(F)cc32)CCO1 ZINC000282113968 396264362 /nfs/dbraw/zinc/26/43/62/396264362.db2.gz QCSLYZOUSFYEKG-ZBFHGGJFSA-N 1 2 321.396 0.931 10 0 DCAELO C[N@H+](CC(N)=O)C[C@@H]1CN([C@H]2CCc3ccc(F)cc32)CCO1 ZINC000282113968 396264364 /nfs/dbraw/zinc/26/43/64/396264364.db2.gz QCSLYZOUSFYEKG-ZBFHGGJFSA-N 1 2 321.396 0.931 10 0 DCAELO CN(CC(N)=O)C[C@@H]1C[N@@H+]([C@H]2CCc3ccc(F)cc32)CCO1 ZINC000282113968 396264366 /nfs/dbraw/zinc/26/43/66/396264366.db2.gz QCSLYZOUSFYEKG-ZBFHGGJFSA-N 1 2 321.396 0.931 10 0 DCAELO CN(CC(N)=O)C[C@@H]1C[N@H+]([C@H]2CCc3ccc(F)cc32)CCO1 ZINC000282113968 396264367 /nfs/dbraw/zinc/26/43/67/396264367.db2.gz QCSLYZOUSFYEKG-ZBFHGGJFSA-N 1 2 321.396 0.931 10 0 DCAELO NC(=O)[C@H](Cc1ccc(Cl)cc1)[N@@H+]1CCCN(C(N)=O)CC1 ZINC000183609788 396272176 /nfs/dbraw/zinc/27/21/76/396272176.db2.gz ZCPQVFHNSBTKRA-ZDUSSCGKSA-N 1 2 324.812 0.823 10 0 DCAELO NC(=O)[C@H](Cc1ccc(Cl)cc1)[N@H+]1CCCN(C(N)=O)CC1 ZINC000183609788 396272177 /nfs/dbraw/zinc/27/21/77/396272177.db2.gz ZCPQVFHNSBTKRA-ZDUSSCGKSA-N 1 2 324.812 0.823 10 0 DCAELO CCS(=O)(=O)CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000180103288 396230760 /nfs/dbraw/zinc/23/07/60/396230760.db2.gz UOONLEJZGFUWFR-UKRRQHHQSA-N 1 2 310.419 0.983 10 0 DCAELO CCS(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000180103288 396230762 /nfs/dbraw/zinc/23/07/62/396230762.db2.gz UOONLEJZGFUWFR-UKRRQHHQSA-N 1 2 310.419 0.983 10 0 DCAELO C[C@@H](NC(N)=O)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000283194268 396317758 /nfs/dbraw/zinc/31/77/58/396317758.db2.gz FZVLIEMVMSAYMI-NEPJUHHUSA-N 1 2 319.409 0.982 10 0 DCAELO COCCCCS(=O)(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000185097753 396317907 /nfs/dbraw/zinc/31/79/07/396317907.db2.gz CTYTVWWSUKGRMR-KGLIPLIRSA-N 1 2 320.455 0.395 10 0 DCAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)NCc1nnc2n1CCCC2 ZINC000184277164 396289273 /nfs/dbraw/zinc/28/92/73/396289273.db2.gz JLSNWPVGXJICPL-ZDUSSCGKSA-N 1 2 321.425 0.732 10 0 DCAELO CCCC[N@H+]1CCOC[C@H]1C(=O)NCc1nnc2n1CCCC2 ZINC000184277164 396289274 /nfs/dbraw/zinc/28/92/74/396289274.db2.gz JLSNWPVGXJICPL-ZDUSSCGKSA-N 1 2 321.425 0.732 10 0 DCAELO CC(=O)NCCNC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184252144 396289537 /nfs/dbraw/zinc/28/95/37/396289537.db2.gz VEMVFABMQMENEO-UHFFFAOYSA-N 1 2 305.382 0.439 10 0 DCAELO O=C(C[N@@H+]1CCO[C@]2(CCOC2)C1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000185151054 396319732 /nfs/dbraw/zinc/31/97/32/396319732.db2.gz NMTTWBPGQHJHTJ-YQQAZPJKSA-N 1 2 324.421 0.648 10 0 DCAELO O=C(C[N@H+]1CCO[C@]2(CCOC2)C1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000185151054 396319734 /nfs/dbraw/zinc/31/97/34/396319734.db2.gz NMTTWBPGQHJHTJ-YQQAZPJKSA-N 1 2 324.421 0.648 10 0 DCAELO COCCCCS(=O)(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000184480343 396296597 /nfs/dbraw/zinc/29/65/97/396296597.db2.gz OSUHBACWNVSLBS-CHWSQXEVSA-N 1 2 308.444 0.442 10 0 DCAELO CCOCC[NH+]1CCN(S(=O)(=O)CCCCOC)CC1 ZINC000184566056 396298405 /nfs/dbraw/zinc/29/84/05/396298405.db2.gz KZRDTOFRVLVPOZ-UHFFFAOYSA-N 1 2 308.444 0.397 10 0 DCAELO COc1ccc(F)cc1CNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000186566218 396352611 /nfs/dbraw/zinc/35/26/11/396352611.db2.gz PBUOFLYDDSTUHI-ZDUSSCGKSA-N 1 2 311.357 0.964 10 0 DCAELO COc1ccc(F)cc1CNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000186566218 396352613 /nfs/dbraw/zinc/35/26/13/396352613.db2.gz PBUOFLYDDSTUHI-ZDUSSCGKSA-N 1 2 311.357 0.964 10 0 DCAELO C[C@H](C(=O)N1CCCN(c2cccc[nH+]2)CC1)n1cncn1 ZINC000186433228 396350057 /nfs/dbraw/zinc/35/00/57/396350057.db2.gz NOTMAGLMZXVNIQ-CYBMUJFWSA-N 1 2 300.366 0.973 10 0 DCAELO CC(C)C[C@@H](CO)N(C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000188365456 396381709 /nfs/dbraw/zinc/38/17/09/396381709.db2.gz IPLVQHJPXXGXGD-KBPBESRZSA-N 1 2 301.431 0.756 10 0 DCAELO CC(C)C[C@H](CO)N(C)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000188356867 396381806 /nfs/dbraw/zinc/38/18/06/396381806.db2.gz BRRGSYXBOMHFKA-UONOGXRCSA-N 1 2 301.431 0.756 10 0 DCAELO C[C@H]1CN(C(=O)c2cc(-c3ccncc3)on2)CC[N@@H+]1CCO ZINC000188787166 396386364 /nfs/dbraw/zinc/38/63/64/396386364.db2.gz ZSVVJMVVTNAMDE-LBPRGKRZSA-N 1 2 316.361 0.875 10 0 DCAELO C[C@H]1CN(C(=O)c2cc(-c3ccncc3)on2)CC[N@H+]1CCO ZINC000188787166 396386368 /nfs/dbraw/zinc/38/63/68/396386368.db2.gz ZSVVJMVVTNAMDE-LBPRGKRZSA-N 1 2 316.361 0.875 10 0 DCAELO CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCCN(CCOC)C(=O)C1 ZINC000190772362 396410936 /nfs/dbraw/zinc/41/09/36/396410936.db2.gz MFXBXYGEPCIVOQ-UONOGXRCSA-N 1 2 313.442 0.860 10 0 DCAELO CCC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCCN(CCOC)C(=O)C1 ZINC000190772362 396410940 /nfs/dbraw/zinc/41/09/40/396410940.db2.gz MFXBXYGEPCIVOQ-UONOGXRCSA-N 1 2 313.442 0.860 10 0 DCAELO CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CCCN(CCOC)C(=O)C1 ZINC000190790603 396411793 /nfs/dbraw/zinc/41/17/93/396411793.db2.gz ZGQFZPOQZRFDIR-ZDUSSCGKSA-N 1 2 313.442 0.860 10 0 DCAELO CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CCCN(CCOC)C(=O)C1 ZINC000190790603 396411794 /nfs/dbraw/zinc/41/17/94/396411794.db2.gz ZGQFZPOQZRFDIR-ZDUSSCGKSA-N 1 2 313.442 0.860 10 0 DCAELO COCc1ccccc1CNC(=O)C[N@@H+]1CCCN(C)C(=O)C1 ZINC000191075945 396415117 /nfs/dbraw/zinc/41/51/17/396415117.db2.gz VHQHYTLKHIRQRI-UHFFFAOYSA-N 1 2 319.405 0.613 10 0 DCAELO COCc1ccccc1CNC(=O)C[N@H+]1CCCN(C)C(=O)C1 ZINC000191075945 396415118 /nfs/dbraw/zinc/41/51/18/396415118.db2.gz VHQHYTLKHIRQRI-UHFFFAOYSA-N 1 2 319.405 0.613 10 0 DCAELO CCN(C)c1ccc(C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)cn1 ZINC000191382547 396419068 /nfs/dbraw/zinc/41/90/68/396419068.db2.gz BKCMHDCUPFBISN-ZDUSSCGKSA-N 1 2 312.439 0.661 10 0 DCAELO CCN(C)c1ccc(C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)cn1 ZINC000191382547 396419071 /nfs/dbraw/zinc/41/90/71/396419071.db2.gz BKCMHDCUPFBISN-ZDUSSCGKSA-N 1 2 312.439 0.661 10 0 DCAELO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CCO[C@@H](CO)C1 ZINC000270113525 396461597 /nfs/dbraw/zinc/46/15/97/396461597.db2.gz ZZWCLQWMVARCNP-CHWSQXEVSA-N 1 2 306.366 0.063 10 0 DCAELO O=C(C[N@@H+]1CCN2CCOC[C@H]2C1)N1CCc2sccc2C1 ZINC000371813903 396477620 /nfs/dbraw/zinc/47/76/20/396477620.db2.gz BTTPMCLXPVOAAU-CQSZACIVSA-N 1 2 321.446 0.649 10 0 DCAELO O=C(C[N@H+]1CCN2CCOC[C@H]2C1)N1CCc2sccc2C1 ZINC000371813903 396477621 /nfs/dbraw/zinc/47/76/21/396477621.db2.gz BTTPMCLXPVOAAU-CQSZACIVSA-N 1 2 321.446 0.649 10 0 DCAELO O=S(=O)(CCC[N@@H+]1CCN2CCOC[C@@H]2C1)c1ccccc1 ZINC000371830471 396478092 /nfs/dbraw/zinc/47/80/92/396478092.db2.gz ZHJBUISQHJQAIE-HNNXBMFYSA-N 1 2 324.446 0.867 10 0 DCAELO O=S(=O)(CCC[N@H+]1CCN2CCOC[C@@H]2C1)c1ccccc1 ZINC000371830471 396478093 /nfs/dbraw/zinc/47/80/93/396478093.db2.gz ZHJBUISQHJQAIE-HNNXBMFYSA-N 1 2 324.446 0.867 10 0 DCAELO O=C(C[N@H+]1C[C@@H](F)C[C@H]1CO)NC(=O)NC1CCCCC1 ZINC000372511340 396523215 /nfs/dbraw/zinc/52/32/15/396523215.db2.gz DXEDOKFYZKOJAE-JQWIXIFHSA-N 1 2 301.362 0.550 10 0 DCAELO O=C(C[N@@H+]1C[C@@H](F)C[C@H]1CO)NC(=O)NC1CCCCC1 ZINC000372511340 396523220 /nfs/dbraw/zinc/52/32/20/396523220.db2.gz DXEDOKFYZKOJAE-JQWIXIFHSA-N 1 2 301.362 0.550 10 0 DCAELO O=C1CCC(=O)N1CC[N@@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000562319374 396656997 /nfs/dbraw/zinc/65/69/97/396656997.db2.gz YVXVNOJETVBUMW-OAHLLOKOSA-N 1 2 318.373 0.915 10 0 DCAELO O=C1CCC(=O)N1CC[N@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000562319374 396656999 /nfs/dbraw/zinc/65/69/99/396656999.db2.gz YVXVNOJETVBUMW-OAHLLOKOSA-N 1 2 318.373 0.915 10 0 DCAELO Cn1nnnc1SCCC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000588887169 396697480 /nfs/dbraw/zinc/69/74/80/396697480.db2.gz YGBUGVIITDMZKF-UHFFFAOYSA-N 1 2 321.410 0.542 10 0 DCAELO CC[N@@H+]1CCO[C@H](CNS(=O)(=O)c2cccc(F)c2)C1 ZINC000312569469 396765148 /nfs/dbraw/zinc/76/51/48/396765148.db2.gz LHQDDNKJSBFQBW-GFCCVEGCSA-N 1 2 302.371 0.825 10 0 DCAELO CC[N@H+]1CCO[C@H](CNS(=O)(=O)c2cccc(F)c2)C1 ZINC000312569469 396765151 /nfs/dbraw/zinc/76/51/51/396765151.db2.gz LHQDDNKJSBFQBW-GFCCVEGCSA-N 1 2 302.371 0.825 10 0 DCAELO CN(Cc1nnnn1C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000563663586 396767005 /nfs/dbraw/zinc/76/70/05/396767005.db2.gz PRBPWDZGYPCQCV-UHFFFAOYSA-N 1 2 300.326 0.199 10 0 DCAELO CCN1CCN(C(=O)c2cc(C)nc(=O)[nH]2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000328627150 396824904 /nfs/dbraw/zinc/82/49/04/396824904.db2.gz MLNZUBKGDWRKMF-GFCCVEGCSA-N 1 2 316.365 0.733 10 0 DCAELO Cn1ncc2c1C[C@@H](C(=O)N1CC[C@H]3OCC[N@H+](C)[C@@H]3C1)CC2 ZINC000328860193 396834750 /nfs/dbraw/zinc/83/47/50/396834750.db2.gz AHSJASWRBSBCDH-APHBMKBZSA-N 1 2 318.421 0.457 10 0 DCAELO Cn1ncc2c1C[C@@H](C(=O)N1CC[C@H]3OCC[N@@H+](C)[C@@H]3C1)CC2 ZINC000328860193 396834755 /nfs/dbraw/zinc/83/47/55/396834755.db2.gz AHSJASWRBSBCDH-APHBMKBZSA-N 1 2 318.421 0.457 10 0 DCAELO C=Cn1cc(C[N@@H+]2CCCN(S(=O)(=O)C3CC3)CC2)cn1 ZINC000377051869 397022378 /nfs/dbraw/zinc/02/23/78/397022378.db2.gz LTKXUAJZTDFMAL-UHFFFAOYSA-N 1 2 310.423 0.984 10 0 DCAELO C=Cn1cc(C[N@H+]2CCCN(S(=O)(=O)C3CC3)CC2)cn1 ZINC000377051869 397022381 /nfs/dbraw/zinc/02/23/81/397022381.db2.gz LTKXUAJZTDFMAL-UHFFFAOYSA-N 1 2 310.423 0.984 10 0 DCAELO COC(=O)Cc1csc(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)n1 ZINC000592018398 397065077 /nfs/dbraw/zinc/06/50/77/397065077.db2.gz QREFONQTBYHTOD-ZETCQYMHSA-N 1 2 305.306 0.794 10 0 DCAELO CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCO[C@H](CCF)C2)CC1 ZINC000626001699 397050939 /nfs/dbraw/zinc/05/09/39/397050939.db2.gz WTIWLYNQLXMZGT-TZMCWYRMSA-N 1 2 315.389 0.126 10 0 DCAELO CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCO[C@H](CCF)C2)CC1 ZINC000626001699 397050944 /nfs/dbraw/zinc/05/09/44/397050944.db2.gz WTIWLYNQLXMZGT-TZMCWYRMSA-N 1 2 315.389 0.126 10 0 DCAELO CC(=O)c1cccc(C[NH+]2CCC(NS(N)(=O)=O)CC2)c1 ZINC000626035093 397056394 /nfs/dbraw/zinc/05/63/94/397056394.db2.gz BXKJCHGVYBHRRV-UHFFFAOYSA-N 1 2 311.407 0.647 10 0 DCAELO C[C@@H]1[C@H](N2CCOCC2)CC[N@@H+]1Cc1nnc2n1CCCC2 ZINC000377655049 397118972 /nfs/dbraw/zinc/11/89/72/397118972.db2.gz SGBDRKQKBBJTKZ-ZIAGYGMSSA-N 1 2 305.426 0.909 10 0 DCAELO C[C@@H]1[C@H](N2CCOCC2)CC[N@H+]1Cc1nnc2n1CCCC2 ZINC000377655049 397118976 /nfs/dbraw/zinc/11/89/76/397118976.db2.gz SGBDRKQKBBJTKZ-ZIAGYGMSSA-N 1 2 305.426 0.909 10 0 DCAELO C[C@H]1CCN(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)C1 ZINC000407950545 397334108 /nfs/dbraw/zinc/33/41/08/397334108.db2.gz ALGXCTZTZMYTRP-AWEZNQCLSA-N 1 2 322.453 0.982 10 0 DCAELO C[N@@H+]1CCO[C@H]2CN(C(=O)c3cc4ccccc4c(=O)o3)C[C@@H]21 ZINC000407954216 397335192 /nfs/dbraw/zinc/33/51/92/397335192.db2.gz FSBGKXOEOGENJV-ZFWWWQNUSA-N 1 2 314.341 0.948 10 0 DCAELO C[N@H+]1CCO[C@H]2CN(C(=O)c3cc4ccccc4c(=O)o3)C[C@@H]21 ZINC000407954216 397335197 /nfs/dbraw/zinc/33/51/97/397335197.db2.gz FSBGKXOEOGENJV-ZFWWWQNUSA-N 1 2 314.341 0.948 10 0 DCAELO C[C@H]1CCCCN1S(=O)(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000408367794 397354485 /nfs/dbraw/zinc/35/44/85/397354485.db2.gz XUZPLENUASOOAL-STQMWFEESA-N 1 2 305.444 0.104 10 0 DCAELO C[C@H]1CCCCN1S(=O)(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000408367794 397354493 /nfs/dbraw/zinc/35/44/93/397354493.db2.gz XUZPLENUASOOAL-STQMWFEESA-N 1 2 305.444 0.104 10 0 DCAELO CCOC(=O)c1ncc(C[N@H+](C)CC(C)(CO)CO)s1 ZINC000602780885 397483865 /nfs/dbraw/zinc/48/38/65/397483865.db2.gz BGIQUIAVVTWHIO-UHFFFAOYSA-N 1 2 302.396 0.743 10 0 DCAELO CCOC(=O)c1ncc(C[N@@H+](C)CC(C)(CO)CO)s1 ZINC000602780885 397483869 /nfs/dbraw/zinc/48/38/69/397483869.db2.gz BGIQUIAVVTWHIO-UHFFFAOYSA-N 1 2 302.396 0.743 10 0 DCAELO C=CC(=O)NCCC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000371264728 397564767 /nfs/dbraw/zinc/56/47/67/397564767.db2.gz QJUUAFDPGVMWIN-CYBMUJFWSA-N 1 2 304.394 0.894 10 0 DCAELO CNS(=O)(=O)c1cccc(C(=O)N2CC(n3cc[nH+]c3)C2)c1 ZINC000603916996 397628253 /nfs/dbraw/zinc/62/82/53/397628253.db2.gz WCMIQWIONMRQIU-UHFFFAOYSA-N 1 2 320.374 0.488 10 0 DCAELO 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1 2 319.405 0.782 10 0 DCAELO CCS(=O)(=O)CC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000097029898 158123595 /nfs/dbraw/zinc/12/35/95/158123595.db2.gz VTHRUXBOOIOKEM-GFCCVEGCSA-N 1 2 318.439 0.133 10 0 DCAELO CCS(=O)(=O)CC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000097029898 158123598 /nfs/dbraw/zinc/12/35/98/158123598.db2.gz VTHRUXBOOIOKEM-GFCCVEGCSA-N 1 2 318.439 0.133 10 0 DCAELO CC[C@H](C)C(=O)N1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000109896738 158138502 /nfs/dbraw/zinc/13/85/02/158138502.db2.gz USMYAAADAMERTK-UONOGXRCSA-N 1 2 311.426 0.424 10 0 DCAELO CC(C)(CNC(=O)N[C@H]1CCc2ncnn2C1)[NH+]1CCOCC1 ZINC000112740125 158144114 /nfs/dbraw/zinc/14/41/14/158144114.db2.gz STDZBILTXPNJHE-LBPRGKRZSA-N 1 2 322.413 0.003 10 0 DCAELO CN(C(=O)C[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1)C1CCCCC1 ZINC000116889145 158167286 /nfs/dbraw/zinc/16/72/86/158167286.db2.gz FERMDJRNRLUXOU-GFCCVEGCSA-N 1 2 317.455 0.401 10 0 DCAELO CN(C(=O)C[N@H+]1CC[C@@H](NS(C)(=O)=O)C1)C1CCCCC1 ZINC000116889145 158167288 /nfs/dbraw/zinc/16/72/88/158167288.db2.gz FERMDJRNRLUXOU-GFCCVEGCSA-N 1 2 317.455 0.401 10 0 DCAELO CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116890361 158168505 /nfs/dbraw/zinc/16/85/05/158168505.db2.gz DRANWLHVVHBVOZ-MNOVXSKESA-N 1 2 305.444 0.303 10 0 DCAELO CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116890361 158168509 /nfs/dbraw/zinc/16/85/09/158168509.db2.gz DRANWLHVVHBVOZ-MNOVXSKESA-N 1 2 305.444 0.303 10 0 DCAELO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)CCn2cncn2)C1 ZINC000119930113 158191283 /nfs/dbraw/zinc/19/12/83/158191283.db2.gz UDSIPBTWIACKEL-ZDUSSCGKSA-N 1 2 302.382 0.883 10 0 DCAELO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)CCn2cncn2)C1 ZINC000119930278 158191421 /nfs/dbraw/zinc/19/14/21/158191421.db2.gz UDSIPBTWIACKEL-CYBMUJFWSA-N 1 2 302.382 0.883 10 0 DCAELO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)N2CCCCC2)C[C@@H]1C ZINC000122327014 158219824 /nfs/dbraw/zinc/21/98/24/158219824.db2.gz KGRQTZMUGKKVMN-QWHCGFSZSA-N 1 2 305.444 0.104 10 0 DCAELO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)N2CCCCC2)C[C@@H]1C ZINC000122327014 158219826 /nfs/dbraw/zinc/21/98/26/158219826.db2.gz KGRQTZMUGKKVMN-QWHCGFSZSA-N 1 2 305.444 0.104 10 0 DCAELO O=C(NCCCNc1cccc[nH+]1)NC[C@@]1(CCO)CCOC1 ZINC000128396773 158281566 /nfs/dbraw/zinc/28/15/66/158281566.db2.gz AEJSGAZGNRKRHR-MRXNPFEDSA-N 1 2 322.409 0.972 10 0 DCAELO CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC000131054779 158298606 /nfs/dbraw/zinc/29/86/06/158298606.db2.gz VATZKSQHWLRGHI-GFCCVEGCSA-N 1 2 307.398 0.946 10 0 DCAELO CC(C)Cn1cc[nH+]c1CNC(=O)CN1C(=O)CN(C)C1=O ZINC000131060342 158299396 /nfs/dbraw/zinc/29/93/96/158299396.db2.gz IHXCIRKXFTYZRE-UHFFFAOYSA-N 1 2 307.354 0.049 10 0 DCAELO C[C@H](CNC(=O)N[C@H]1CCC[C@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC000172541658 158395733 /nfs/dbraw/zinc/39/57/33/158395733.db2.gz JBOKRPHOCHNKCS-AGIUHOORSA-N 1 2 312.414 0.050 10 0 DCAELO CCCC(O)(CCC)CNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000172583568 158396795 /nfs/dbraw/zinc/39/67/95/158396795.db2.gz 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ZINC000328891285 159038021 /nfs/dbraw/zinc/03/80/21/159038021.db2.gz SFXFCUFORNGGPJ-UONOGXRCSA-N 1 2 317.455 0.368 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc4nncn4c3)C[C@@H]21 ZINC000328892092 159038648 /nfs/dbraw/zinc/03/86/48/159038648.db2.gz SXRLBISEFXBGFN-STQMWFEESA-N 1 2 301.350 0.274 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc4nncn4c3)C[C@@H]21 ZINC000328892092 159038651 /nfs/dbraw/zinc/03/86/51/159038651.db2.gz SXRLBISEFXBGFN-STQMWFEESA-N 1 2 301.350 0.274 10 0 DCAELO C[C@@H](C(=O)N1CCC[C@H](c2nnc[nH]2)C1)[NH+]1CCSCC1 ZINC000328928977 159043346 /nfs/dbraw/zinc/04/33/46/159043346.db2.gz GXKHNXZYVFCWRU-RYUDHWBXSA-N 1 2 309.439 0.948 10 0 DCAELO C[C@@H](C(=O)N1CCC[C@H](c2nc[nH]n2)C1)[NH+]1CCSCC1 ZINC000328928977 159043348 /nfs/dbraw/zinc/04/33/48/159043348.db2.gz GXKHNXZYVFCWRU-RYUDHWBXSA-N 1 2 309.439 0.948 10 0 DCAELO Cc1nccc(CCC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)n1 ZINC000329210659 159073560 /nfs/dbraw/zinc/07/35/60/159073560.db2.gz ZSEVQPHQKALVTL-CABCVRRESA-N 1 2 304.394 0.649 10 0 DCAELO Cc1nccc(CCC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)n1 ZINC000329210659 159073562 /nfs/dbraw/zinc/07/35/62/159073562.db2.gz ZSEVQPHQKALVTL-CABCVRRESA-N 1 2 304.394 0.649 10 0 DCAELO O=C([C@H]1COCC[N@@H+]1CC1CCC1)N1CCC[C@](F)(CO)C1 ZINC000329251381 159076320 /nfs/dbraw/zinc/07/63/20/159076320.db2.gz XZVKVCHIWCBKRE-GDBMZVCRSA-N 1 2 314.401 0.810 10 0 DCAELO O=C([C@H]1COCC[N@H+]1CC1CCC1)N1CCC[C@](F)(CO)C1 ZINC000329251381 159076323 /nfs/dbraw/zinc/07/63/23/159076323.db2.gz XZVKVCHIWCBKRE-GDBMZVCRSA-N 1 2 314.401 0.810 10 0 DCAELO C[C@H](C(=O)N1CC[C@@H](OCc2ccncc2)C1)[NH+]1CCOCC1 ZINC000329310050 159081321 /nfs/dbraw/zinc/08/13/21/159081321.db2.gz FRIGBXIXTLVONQ-GDBMZVCRSA-N 1 2 319.405 0.920 10 0 DCAELO Cn1[nH]c(C[N@@H+]2CC[C@](O)(Cc3cccc(Cl)c3)C2)nc1=O ZINC000329584335 159104787 /nfs/dbraw/zinc/10/47/87/159104787.db2.gz LXVITRHABKMTCU-HNNXBMFYSA-N 1 2 322.796 0.941 10 0 DCAELO Cn1[nH]c(C[N@H+]2CC[C@](O)(Cc3cccc(Cl)c3)C2)nc1=O ZINC000329584335 159104789 /nfs/dbraw/zinc/10/47/89/159104789.db2.gz LXVITRHABKMTCU-HNNXBMFYSA-N 1 2 322.796 0.941 10 0 DCAELO O=C(C[N@H+]1CCSC[C@@H]1CO)N1CCO[C@@H]2CCCC[C@H]21 ZINC000329672733 159110875 /nfs/dbraw/zinc/11/08/75/159110875.db2.gz URTYUYGFKOXIPM-BFHYXJOUSA-N 1 2 314.451 0.566 10 0 DCAELO O=C(C[N@@H+]1CCSC[C@@H]1CO)N1CCO[C@@H]2CCCC[C@H]21 ZINC000329672733 159110878 /nfs/dbraw/zinc/11/08/78/159110878.db2.gz URTYUYGFKOXIPM-BFHYXJOUSA-N 1 2 314.451 0.566 10 0 DCAELO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1ncn(C(C)(C)C)n1 ZINC000329741350 159116423 /nfs/dbraw/zinc/11/64/23/159116423.db2.gz OOVFXJDYTJHSNZ-CHWSQXEVSA-N 1 2 321.425 0.968 10 0 DCAELO CO[C@@H]1C[N@H+](CC(=O)N2CCC(c3ccccc3)=N2)C[C@@H]1OC ZINC000330177552 159148133 /nfs/dbraw/zinc/14/81/33/159148133.db2.gz KVYXPWQCRGBQJI-IYBDPMFKSA-N 1 2 317.389 0.969 10 0 DCAELO CO[C@@H]1C[N@@H+](CC(=O)N2CCC(c3ccccc3)=N2)C[C@@H]1OC ZINC000330177552 159148135 /nfs/dbraw/zinc/14/81/35/159148135.db2.gz KVYXPWQCRGBQJI-IYBDPMFKSA-N 1 2 317.389 0.969 10 0 DCAELO CCn1cnc2c(c1=O)CC[N@H+](Cc1cn(C(C)C)nn1)C2 ZINC000330246112 159153588 /nfs/dbraw/zinc/15/35/88/159153588.db2.gz LBKICEJYKWEWQW-UHFFFAOYSA-N 1 2 302.382 0.994 10 0 DCAELO CCn1cnc2c(c1=O)CC[N@@H+](Cc1cn(C(C)C)nn1)C2 ZINC000330246112 159153592 /nfs/dbraw/zinc/15/35/92/159153592.db2.gz LBKICEJYKWEWQW-UHFFFAOYSA-N 1 2 302.382 0.994 10 0 DCAELO CNC(=O)[C@H]1CCCN1C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000332727102 159211147 /nfs/dbraw/zinc/21/11/47/159211147.db2.gz RNVQJWKLBXWRDO-NWDGAFQWSA-N 1 2 305.382 0.681 10 0 DCAELO Cc1nc([C@H]2CCCN2C(=O)NC[C@H](C)[NH+]2CCOCC2)no1 ZINC000332813010 159214502 /nfs/dbraw/zinc/21/45/02/159214502.db2.gz PDHGKCINYOXARS-WCQYABFASA-N 1 2 323.397 0.945 10 0 DCAELO Cn1nncc1CNC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000367938852 159365960 /nfs/dbraw/zinc/36/59/60/159365960.db2.gz ORZVAEGIENFDIR-GFCCVEGCSA-N 1 2 300.366 0.743 10 0 DCAELO O=c1[nH]nc(C2CC[NH+](C[C@@H](O)COCC(F)(F)F)CC2)[nH]1 ZINC000368396400 159391822 /nfs/dbraw/zinc/39/18/22/159391822.db2.gz CIIPCLUSGCURRK-SECBINFHSA-N 1 2 324.303 0.630 10 0 DCAELO CN1CC[C@H](C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)CC1=O ZINC000374378146 159731722 /nfs/dbraw/zinc/73/17/22/159731722.db2.gz QBPDAGNRJIIEOX-UONOGXRCSA-N 1 2 302.378 0.423 10 0 DCAELO CC(C)OCCS(=O)(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000408016019 160011987 /nfs/dbraw/zinc/01/19/87/160011987.db2.gz HBWPRVORZXMAFT-OLZOCXBDSA-N 1 2 306.428 0.146 10 0 DCAELO CC(C)OCCS(=O)(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000408016019 160011990 /nfs/dbraw/zinc/01/19/90/160011990.db2.gz HBWPRVORZXMAFT-OLZOCXBDSA-N 1 2 306.428 0.146 10 0 DCAELO O=C(C[N@H+]1C[C@@H](F)C[C@H]1CO)N1CCO[C@H]2CCCC[C@H]21 ZINC000408047151 160022447 /nfs/dbraw/zinc/02/24/47/160022447.db2.gz OIVDKBFMYSZADU-FQUUOJAGSA-N 1 2 300.374 0.561 10 0 DCAELO O=C(C[N@@H+]1C[C@@H](F)C[C@H]1CO)N1CCO[C@H]2CCCC[C@H]21 ZINC000408047151 160022448 /nfs/dbraw/zinc/02/24/48/160022448.db2.gz OIVDKBFMYSZADU-FQUUOJAGSA-N 1 2 300.374 0.561 10 0 DCAELO O=C(C[N@H+]1C[C@@H](F)C[C@H]1CO)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000408047153 160023165 /nfs/dbraw/zinc/02/31/65/160023165.db2.gz OIVDKBFMYSZADU-XDQVBPFNSA-N 1 2 300.374 0.561 10 0 DCAELO O=C(C[N@@H+]1C[C@@H](F)C[C@H]1CO)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000408047153 160023166 /nfs/dbraw/zinc/02/31/66/160023166.db2.gz OIVDKBFMYSZADU-XDQVBPFNSA-N 1 2 300.374 0.561 10 0 DCAELO C[C@@H]1COCC[N@H+]1CCNS(=O)(=O)N1CCC[C@H](C)C1 ZINC000408076535 160029945 /nfs/dbraw/zinc/02/99/45/160029945.db2.gz KDSXKEZWTZMNLE-QWHCGFSZSA-N 1 2 305.444 0.273 10 0 DCAELO C[C@@H]1COCC[N@@H+]1CCNS(=O)(=O)N1CCC[C@H](C)C1 ZINC000408076535 160029949 /nfs/dbraw/zinc/02/99/49/160029949.db2.gz KDSXKEZWTZMNLE-QWHCGFSZSA-N 1 2 305.444 0.273 10 0 DCAELO COCC[N@@H+]1CCN(S(=O)(=O)N2CC[C@H](C)C2)C[C@@H]1C ZINC000408134251 160044104 /nfs/dbraw/zinc/04/41/04/160044104.db2.gz RNVGGFRTBAJPGW-STQMWFEESA-N 1 2 305.444 0.226 10 0 DCAELO COCC[N@H+]1CCN(S(=O)(=O)N2CC[C@H](C)C2)C[C@@H]1C ZINC000408134251 160044105 /nfs/dbraw/zinc/04/41/05/160044105.db2.gz RNVGGFRTBAJPGW-STQMWFEESA-N 1 2 305.444 0.226 10 0 DCAELO COCC[N@@H+]1CCN(S(=O)(=O)N(C)CC(C)C)C[C@H]1C ZINC000408135921 160045084 /nfs/dbraw/zinc/04/50/84/160045084.db2.gz ZXPVWHSNNUDVOI-CYBMUJFWSA-N 1 2 307.460 0.472 10 0 DCAELO COCC[N@H+]1CCN(S(=O)(=O)N(C)CC(C)C)C[C@H]1C ZINC000408135921 160045085 /nfs/dbraw/zinc/04/50/85/160045085.db2.gz ZXPVWHSNNUDVOI-CYBMUJFWSA-N 1 2 307.460 0.472 10 0 DCAELO CCC(=O)N[C@@H]1CCC[N@H+](CC(=O)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC000408152277 160049040 /nfs/dbraw/zinc/04/90/40/160049040.db2.gz YOTUHKJXDWIWRW-MGPQQGTHSA-N 1 2 311.426 0.613 10 0 DCAELO CCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC000408152277 160049042 /nfs/dbraw/zinc/04/90/42/160049042.db2.gz YOTUHKJXDWIWRW-MGPQQGTHSA-N 1 2 311.426 0.613 10 0 DCAELO C[C@@H](C(=O)N1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1)C1CC1 ZINC000408319475 160084004 /nfs/dbraw/zinc/08/40/04/160084004.db2.gz JBHVOMZLWBIWLY-ZIAGYGMSSA-N 1 2 323.437 0.424 10 0 DCAELO CCC1(CC)CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCS1(=O)=O ZINC000408379882 160096233 /nfs/dbraw/zinc/09/62/33/160096233.db2.gz QHZHWLJEXFCOLY-LBPRGKRZSA-N 1 2 302.440 0.896 10 0 DCAELO CCC1(CC)CN(C(=O)[C@@H]2CCC[N@H+]2C)CCS1(=O)=O ZINC000408379882 160096234 /nfs/dbraw/zinc/09/62/34/160096234.db2.gz QHZHWLJEXFCOLY-LBPRGKRZSA-N 1 2 302.440 0.896 10 0 DCAELO Cn1ncc(Cl)c1S(=O)(=O)N1CCn2cc[nH+]c2C1 ZINC000408384345 160096625 /nfs/dbraw/zinc/09/66/25/160096625.db2.gz JJIXREXIBHQXFT-UHFFFAOYSA-N 1 2 301.759 0.475 10 0 DCAELO C[C@H](NS(C)(=O)=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000408400330 160101381 /nfs/dbraw/zinc/10/13/81/160101381.db2.gz QVYYLGLTAUJGKW-VIFPVBQESA-N 1 2 300.384 0.053 10 0 DCAELO C[C@H](NS(C)(=O)=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000408400330 160101383 /nfs/dbraw/zinc/10/13/83/160101383.db2.gz QVYYLGLTAUJGKW-VIFPVBQESA-N 1 2 300.384 0.053 10 0 DCAELO O=C([C@H]1CCCn2ccnc21)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000176459437 304444014 /nfs/dbraw/zinc/44/40/14/304444014.db2.gz SLGQMWDZEFLNGB-KBPBESRZSA-N 1 2 304.394 0.694 10 0 DCAELO CC[C@H]1C[N@H+](CC(=O)NCCCOC)CCN1CC(F)F ZINC000153319048 287049166 /nfs/dbraw/zinc/04/91/66/287049166.db2.gz HMJZRGFZODLGLJ-LBPRGKRZSA-N 1 2 307.385 0.800 10 0 DCAELO CC[C@H]1C[N@@H+](CC(=O)NCCCOC)CCN1CC(F)F ZINC000153319048 287049167 /nfs/dbraw/zinc/04/91/67/287049167.db2.gz HMJZRGFZODLGLJ-LBPRGKRZSA-N 1 2 307.385 0.800 10 0 DCAELO C[C@H](CNC(=O)N[C@H](CCO)c1ccco1)[NH+]1CCOCC1 ZINC000187122268 287058417 /nfs/dbraw/zinc/05/84/17/287058417.db2.gz MKXXPSWPHDPACH-CHWSQXEVSA-N 1 2 311.382 0.723 10 0 DCAELO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)NCC(=O)OC)CCN1CC(F)F ZINC000245736765 287072540 /nfs/dbraw/zinc/07/25/40/287072540.db2.gz KPLSNVBTRJNPHM-GHMZBOCLSA-N 1 2 321.368 0.325 10 0 DCAELO CC[C@@H]1C[N@H+]([C@H](C)C(=O)NCC(=O)OC)CCN1CC(F)F ZINC000245736765 287072543 /nfs/dbraw/zinc/07/25/43/287072543.db2.gz KPLSNVBTRJNPHM-GHMZBOCLSA-N 1 2 321.368 0.325 10 0 DCAELO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@H]2C[C@H]2C)CC1 ZINC000246056117 287075773 /nfs/dbraw/zinc/07/57/73/287075773.db2.gz DDLHCUWYLFQIIF-MCIONIFRSA-N 1 2 308.426 0.733 10 0 DCAELO CC[C@@H]1CN(S(=O)(=O)[C@H]2CCO[C@@H]2C)CC[N@@H+]1CCOC ZINC000248891865 287103196 /nfs/dbraw/zinc/10/31/96/287103196.db2.gz FXQUHZGQYIIMFP-MCIONIFRSA-N 1 2 320.455 0.536 10 0 DCAELO CC[C@@H]1CN(S(=O)(=O)[C@H]2CCO[C@@H]2C)CC[N@H+]1CCOC ZINC000248891865 287103197 /nfs/dbraw/zinc/10/31/97/287103197.db2.gz FXQUHZGQYIIMFP-MCIONIFRSA-N 1 2 320.455 0.536 10 0 DCAELO Cc1cc(=O)n2nc(C[N@H+](C)CC(=O)NC(C)(C)C)sc2n1 ZINC000026886215 415169939 /nfs/dbraw/zinc/16/99/39/415169939.db2.gz UDKUYMOEWSLASC-UHFFFAOYSA-N 1 2 323.422 0.806 10 0 DCAELO Cc1cc(=O)n2nc(C[N@@H+](C)CC(=O)NC(C)(C)C)sc2n1 ZINC000026886215 415169946 /nfs/dbraw/zinc/16/99/46/415169946.db2.gz UDKUYMOEWSLASC-UHFFFAOYSA-N 1 2 323.422 0.806 10 0 DCAELO C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)CC(=O)NC(C)(C)C ZINC000046486860 415258999 /nfs/dbraw/zinc/25/89/99/415258999.db2.gz RMRHEMMLKSXPEU-LBPRGKRZSA-N 1 2 314.430 0.263 10 0 DCAELO COc1ccccc1[C@@H](C)NC(=O)C[N@@H+]1CCNC(=O)CC1 ZINC000073350289 415420404 /nfs/dbraw/zinc/42/04/04/415420404.db2.gz MWJHJPIFINLJIZ-GFCCVEGCSA-N 1 2 305.378 0.694 10 0 DCAELO COc1ccccc1[C@@H](C)NC(=O)C[N@H+]1CCNC(=O)CC1 ZINC000073350289 415420410 /nfs/dbraw/zinc/42/04/10/415420410.db2.gz MWJHJPIFINLJIZ-GFCCVEGCSA-N 1 2 305.378 0.694 10 0 DCAELO CC(C)N1CC[C@H](NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)C1=O ZINC000332752899 415461844 /nfs/dbraw/zinc/46/18/44/415461844.db2.gz HEYQAUDDBNOEHF-BFHYXJOUSA-N 1 2 324.425 0.110 10 0 DCAELO CC(C)N1CC[C@H](NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)C1=O ZINC000332752899 415461852 /nfs/dbraw/zinc/46/18/52/415461852.db2.gz HEYQAUDDBNOEHF-BFHYXJOUSA-N 1 2 324.425 0.110 10 0 DCAELO CC(C)c1nnc(CN2CCN(Cc3[nH+]ccn3C)CC2)n1C ZINC000105930270 415638209 /nfs/dbraw/zinc/63/82/09/415638209.db2.gz WVSFWMGTOQEHJQ-UHFFFAOYSA-N 1 2 317.441 0.990 10 0 DCAELO CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000333192167 415578055 /nfs/dbraw/zinc/57/80/55/415578055.db2.gz SLZSCTXFXRUQCL-RFGFWPKPSA-N 1 2 301.456 0.340 10 0 DCAELO CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000333192167 415578062 /nfs/dbraw/zinc/57/80/62/415578062.db2.gz SLZSCTXFXRUQCL-RFGFWPKPSA-N 1 2 301.456 0.340 10 0 DCAELO CCOC(=O)CN(C)C(=O)C[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000111219425 415691580 /nfs/dbraw/zinc/69/15/80/415691580.db2.gz HNQMFMKHNMIXBI-CYBMUJFWSA-N 1 2 308.382 0.579 10 0 DCAELO CCOC(=O)CN(C)C(=O)C[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000111219425 415691584 /nfs/dbraw/zinc/69/15/84/415691584.db2.gz HNQMFMKHNMIXBI-CYBMUJFWSA-N 1 2 308.382 0.579 10 0 DCAELO CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCN(C(=O)C3CC3)C2)C1 ZINC000333540591 415678041 /nfs/dbraw/zinc/67/80/41/415678041.db2.gz NVESATNHAAOXOU-LBPRGKRZSA-N 1 2 315.439 0.170 10 0 DCAELO CS(=O)(=O)N1CCC[C@@H](C[N@H+]2CCN(C(=O)C3CC3)C2)C1 ZINC000333540591 415678047 /nfs/dbraw/zinc/67/80/47/415678047.db2.gz NVESATNHAAOXOU-LBPRGKRZSA-N 1 2 315.439 0.170 10 0 DCAELO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000116889200 415732719 /nfs/dbraw/zinc/73/27/19/415732719.db2.gz CTLRSBFMSKRCIF-UPJWGTAASA-N 1 2 317.455 0.114 10 0 DCAELO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000116889200 415732725 /nfs/dbraw/zinc/73/27/25/415732725.db2.gz CTLRSBFMSKRCIF-UPJWGTAASA-N 1 2 317.455 0.114 10 0 DCAELO C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000116889195 415732833 /nfs/dbraw/zinc/73/28/33/415732833.db2.gz CTLRSBFMSKRCIF-XQQFMLRXSA-N 1 2 317.455 0.114 10 0 DCAELO C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000116889195 415732839 /nfs/dbraw/zinc/73/28/39/415732839.db2.gz CTLRSBFMSKRCIF-XQQFMLRXSA-N 1 2 317.455 0.114 10 0 DCAELO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)C[C@H]2CCCCO2)CC1 ZINC000123235063 415837992 /nfs/dbraw/zinc/83/79/92/415837992.db2.gz HAEOZTDRBBKJBZ-UONOGXRCSA-N 1 2 320.455 0.274 10 0 DCAELO CC(C)[C@H]1OCC[C@H]1CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000334021031 415784754 /nfs/dbraw/zinc/78/47/54/415784754.db2.gz DAZZACBOWXMQHN-LJISPDSOSA-N 1 2 311.426 0.772 10 0 DCAELO CC(C)[C@H]1OCC[C@H]1CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000334021031 415784760 /nfs/dbraw/zinc/78/47/60/415784760.db2.gz DAZZACBOWXMQHN-LJISPDSOSA-N 1 2 311.426 0.772 10 0 DCAELO CCC(=O)N1CSC[C@H]1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000153577995 415984343 /nfs/dbraw/zinc/98/43/43/415984343.db2.gz QKYMVOWLUYSRFK-RYUDHWBXSA-N 1 2 310.423 0.947 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)CC(=O)N(C)C)nc[nH+]1 ZINC000173418341 416058924 /nfs/dbraw/zinc/05/89/24/416058924.db2.gz QVVTYNRJPSKEIY-NSHDSACASA-N 1 2 320.397 0.082 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)CC(=O)N(C)C)[nH+]cn1 ZINC000173418341 416058928 /nfs/dbraw/zinc/05/89/28/416058928.db2.gz QVVTYNRJPSKEIY-NSHDSACASA-N 1 2 320.397 0.082 10 0 DCAELO Cn1cc([C@@H]2C[N@H+](CCCn3cc[nH+]c3)C[C@@H]2CC(=O)[O-])nn1 ZINC000299759350 416064304 /nfs/dbraw/zinc/06/43/04/416064304.db2.gz QZJYZRFNYAPNKH-QWHCGFSZSA-N 1 2 318.381 0.592 10 0 DCAELO Cn1cc([C@@H]2C[N@@H+](CCCn3cc[nH+]c3)C[C@@H]2CC(=O)[O-])nn1 ZINC000299759350 416064308 /nfs/dbraw/zinc/06/43/08/416064308.db2.gz QZJYZRFNYAPNKH-QWHCGFSZSA-N 1 2 318.381 0.592 10 0 DCAELO NC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CCOC3(CCCCC3)C2)C1 ZINC000173845685 416066269 /nfs/dbraw/zinc/06/62/69/416066269.db2.gz WZWWLDBCGNZYAL-AWEZNQCLSA-N 1 2 323.437 0.745 10 0 DCAELO NC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CCOC3(CCCCC3)C2)C1 ZINC000173845685 416066273 /nfs/dbraw/zinc/06/62/73/416066273.db2.gz WZWWLDBCGNZYAL-AWEZNQCLSA-N 1 2 323.437 0.745 10 0 DCAELO CC1CCN(C(=O)C[NH+]2CCN(c3cccnn3)CC2)CC1 ZINC000170650653 416027955 /nfs/dbraw/zinc/02/79/55/416027955.db2.gz BYVBETPVNGOECX-UHFFFAOYSA-N 1 2 303.410 0.857 10 0 DCAELO CC[C@H](O)C[NH+]1CCN(C(=O)CSc2n[nH]c(C)n2)CC1 ZINC000174672048 416084309 /nfs/dbraw/zinc/08/43/09/416084309.db2.gz WHZMOQCBDDGRSI-NSHDSACASA-N 1 2 313.427 0.120 10 0 DCAELO CC[C@H](O)C[NH+]1CCN(C(=O)CSc2nnc(C)[nH]2)CC1 ZINC000174672048 416084311 /nfs/dbraw/zinc/08/43/11/416084311.db2.gz WHZMOQCBDDGRSI-NSHDSACASA-N 1 2 313.427 0.120 10 0 DCAELO COCc1nsc(N2CCN(Cc3[nH+]ccn3C)CC2)n1 ZINC000301545446 416086894 /nfs/dbraw/zinc/08/68/94/416086894.db2.gz WQYDTNWYJZUKGA-UHFFFAOYSA-N 1 2 308.411 0.740 10 0 DCAELO COC(=O)Cn1ncc2c1nc[nH+]c2N1CCCC[C@H]1CCO ZINC000301599041 416088561 /nfs/dbraw/zinc/08/85/61/416088561.db2.gz HQWYFDJPDJEMRK-NSHDSACASA-N 1 2 319.365 0.741 10 0 DCAELO Cc1noc(-c2cccnc2NC[C@@H]2C[NH+]3CCN2CC3)n1 ZINC000301752353 416090526 /nfs/dbraw/zinc/09/05/26/416090526.db2.gz BLNKBXDNASYAFA-GFCCVEGCSA-N 1 2 300.366 0.852 10 0 DCAELO Cc1noc(-c2cccnc2NC[C@@H]2CN3CC[NH+]2CC3)n1 ZINC000301752353 416090530 /nfs/dbraw/zinc/09/05/30/416090530.db2.gz BLNKBXDNASYAFA-GFCCVEGCSA-N 1 2 300.366 0.852 10 0 DCAELO C[C@@H](O)CC(C)(C)CNC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000175004144 416093717 /nfs/dbraw/zinc/09/37/17/416093717.db2.gz WHJREHLKZWCQFW-QWHCGFSZSA-N 1 2 301.431 0.803 10 0 DCAELO CC(C)Cn1ccnc1CNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000176431850 416126247 /nfs/dbraw/zinc/12/62/47/416126247.db2.gz LCYHVLFEEUPBEX-ZDUSSCGKSA-N 1 2 309.414 0.669 10 0 DCAELO CC(C)Cn1ccnc1CNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000176431850 416126248 /nfs/dbraw/zinc/12/62/48/416126248.db2.gz LCYHVLFEEUPBEX-ZDUSSCGKSA-N 1 2 309.414 0.669 10 0 DCAELO Cc1cc(CN2CC[NH+](C[C@@H](C)CS(C)(=O)=O)CC2)no1 ZINC000176954548 416138713 /nfs/dbraw/zinc/13/87/13/416138713.db2.gz QLZPCWMUCLGMBL-GFCCVEGCSA-N 1 2 315.439 0.781 10 0 DCAELO Cc1cc(NC(=O)CN2CC[C@H]3OCC[N@H+](C)[C@H]3C2)n(C)n1 ZINC000328905479 416139063 /nfs/dbraw/zinc/13/90/63/416139063.db2.gz KBFHKGVRTUZBDK-QWHCGFSZSA-N 1 2 307.398 0.072 10 0 DCAELO Cc1cc(NC(=O)CN2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)n(C)n1 ZINC000328905479 416139067 /nfs/dbraw/zinc/13/90/67/416139067.db2.gz KBFHKGVRTUZBDK-QWHCGFSZSA-N 1 2 307.398 0.072 10 0 DCAELO Cc1cc(NC(=O)C[N@@H+]2CC[C@H]3OCCN(C)[C@H]3C2)n(C)n1 ZINC000328905479 416139069 /nfs/dbraw/zinc/13/90/69/416139069.db2.gz KBFHKGVRTUZBDK-QWHCGFSZSA-N 1 2 307.398 0.072 10 0 DCAELO Cc1cc(NC(=O)C[N@H+]2CC[C@H]3OCCN(C)[C@H]3C2)n(C)n1 ZINC000328905479 416139072 /nfs/dbraw/zinc/13/90/72/416139072.db2.gz KBFHKGVRTUZBDK-QWHCGFSZSA-N 1 2 307.398 0.072 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)Nc3ncn(C(C)(C)C)n3)C[C@H]21 ZINC000329070714 416148429 /nfs/dbraw/zinc/14/84/29/416148429.db2.gz YPNMNZGUCXHMGY-NEPJUHHUSA-N 1 2 322.413 0.970 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3ncn(C(C)(C)C)n3)C[C@H]21 ZINC000329070714 416148432 /nfs/dbraw/zinc/14/84/32/416148432.db2.gz YPNMNZGUCXHMGY-NEPJUHHUSA-N 1 2 322.413 0.970 10 0 DCAELO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)[C@H]1CC12CCS(=O)(=O)CC2 ZINC000329383013 416166316 /nfs/dbraw/zinc/16/63/16/416166316.db2.gz OSUXSQKXNPGVIG-JHJVBQTASA-N 1 2 314.451 0.752 10 0 DCAELO Cc1cc(C[C@@H](C)NC(=O)C(=O)NCCn2cc[nH+]c2C)n[nH]1 ZINC000357985221 416167433 /nfs/dbraw/zinc/16/74/33/416167433.db2.gz WWCCTAAFJWZVOA-SNVBAGLBSA-N 1 2 318.381 0.087 10 0 DCAELO COC(=O)c1cn([C@@H]2CCC[N@@H+]([C@H](C(=O)OC)C3CC3)C2)nn1 ZINC000358033299 416173732 /nfs/dbraw/zinc/17/37/32/416173732.db2.gz DJFBIMSOWPVLMJ-YPMHNXCESA-N 1 2 322.365 0.653 10 0 DCAELO COC(=O)c1cn([C@@H]2CCC[N@H+]([C@H](C(=O)OC)C3CC3)C2)nn1 ZINC000358033299 416173736 /nfs/dbraw/zinc/17/37/36/416173736.db2.gz DJFBIMSOWPVLMJ-YPMHNXCESA-N 1 2 322.365 0.653 10 0 DCAELO CNC(=O)[C@@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C(C)C ZINC000178809940 416173868 /nfs/dbraw/zinc/17/38/68/416173868.db2.gz TZHRLTZCNRJIST-OCCSQVGLSA-N 1 2 319.409 0.730 10 0 DCAELO O=C(NC[C@@H]1C[NH+]2CCN1CC2)C(=O)Nc1cc(F)ccc1F ZINC000178964984 416179340 /nfs/dbraw/zinc/17/93/40/416179340.db2.gz TWXKOBYROAHOFL-LLVKDONJSA-N 1 2 324.331 0.019 10 0 DCAELO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1cc(F)cc2[nH]cnc21 ZINC000178974606 416179623 /nfs/dbraw/zinc/17/96/23/416179623.db2.gz RGJQGTZHBQPPKW-LLVKDONJSA-N 1 2 303.341 0.432 10 0 DCAELO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1cc(F)cc2nc[nH]c21 ZINC000178974606 416179626 /nfs/dbraw/zinc/17/96/26/416179626.db2.gz RGJQGTZHBQPPKW-LLVKDONJSA-N 1 2 303.341 0.432 10 0 DCAELO Cc1ccc([C@H]2C[N@H+](Cc3cc(=O)n(C)c(=O)n3C)CCO2)o1 ZINC000179503113 416188519 /nfs/dbraw/zinc/18/85/19/416188519.db2.gz AMLGKEATIPDNCQ-CQSZACIVSA-N 1 2 319.361 0.559 10 0 DCAELO Cc1ccc([C@H]2C[N@@H+](Cc3cc(=O)n(C)c(=O)n3C)CCO2)o1 ZINC000179503113 416188520 /nfs/dbraw/zinc/18/85/20/416188520.db2.gz AMLGKEATIPDNCQ-CQSZACIVSA-N 1 2 319.361 0.559 10 0 DCAELO CNC(=O)[C@@H]1CN(c2cc(C)[nH+]c(-c3ccncc3)n2)CCO1 ZINC000181151708 416204568 /nfs/dbraw/zinc/20/45/68/416204568.db2.gz NSXVWSIDCUQZBD-ZDUSSCGKSA-N 1 2 313.361 0.798 10 0 DCAELO COC(=O)c1coc(C(=O)NCC[N@@H+]2CCOCC2(C)C)c1 ZINC000183527393 416243486 /nfs/dbraw/zinc/24/34/86/416243486.db2.gz JINWROLOJFXORO-UHFFFAOYSA-N 1 2 310.350 0.907 10 0 DCAELO COC(=O)c1coc(C(=O)NCC[N@H+]2CCOCC2(C)C)c1 ZINC000183527393 416243488 /nfs/dbraw/zinc/24/34/88/416243488.db2.gz JINWROLOJFXORO-UHFFFAOYSA-N 1 2 310.350 0.907 10 0 DCAELO Cc1cc(N2CC[NH+](CC(=O)NCc3cccnc3)CC2)n[nH]1 ZINC000187222311 416260617 /nfs/dbraw/zinc/26/06/17/416260617.db2.gz KMAMDUWNFHOCGK-UHFFFAOYSA-N 1 2 314.393 0.552 10 0 DCAELO Cc1cc(N2CC[NH+](C[C@@H](C)CS(C)(=O)=O)CC2)n[nH]1 ZINC000187202169 416261564 /nfs/dbraw/zinc/26/15/64/416261564.db2.gz MTDDVLCSTVKZGC-LLVKDONJSA-N 1 2 300.428 0.521 10 0 DCAELO Cc1cccc(C)c1NC(=O)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000190040048 416273068 /nfs/dbraw/zinc/27/30/68/416273068.db2.gz URZWZSOEAMTSOW-CQSZACIVSA-N 1 2 319.405 0.767 10 0 DCAELO Cc1cccc(C)c1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000190040048 416273072 /nfs/dbraw/zinc/27/30/72/416273072.db2.gz URZWZSOEAMTSOW-CQSZACIVSA-N 1 2 319.405 0.767 10 0 DCAELO Cc1ccc(Cc2nnn(C[C@H](O)C[NH+]3CCOCC3)n2)cc1 ZINC000193426542 416317765 /nfs/dbraw/zinc/31/77/65/416317765.db2.gz WHODUENOWBKGAH-OAHLLOKOSA-N 1 2 317.393 0.265 10 0 DCAELO CC(C)c1nn(C)cc1NC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000361684796 416474643 /nfs/dbraw/zinc/47/46/43/416474643.db2.gz AYYMGWWVQDYMJJ-UHFFFAOYSA-N 1 2 304.354 0.495 10 0 DCAELO O=C(C[N@H+]1CC[C@@](O)(c2cn[nH]n2)C1)N(C1CC1)C1CCCC1 ZINC000583618094 416477370 /nfs/dbraw/zinc/47/73/70/416477370.db2.gz CJVRKPZKQIANIP-INIZCTEOSA-N 1 2 319.409 0.632 10 0 DCAELO O=C(C[N@@H+]1CC[C@@](O)(c2cn[nH]n2)C1)N(C1CC1)C1CCCC1 ZINC000583618094 416477375 /nfs/dbraw/zinc/47/73/75/416477375.db2.gz CJVRKPZKQIANIP-INIZCTEOSA-N 1 2 319.409 0.632 10 0 DCAELO O=C(C[N@H+]1CC[C@@](O)(c2c[nH]nn2)C1)N(C1CC1)C1CCCC1 ZINC000583618094 416477379 /nfs/dbraw/zinc/47/73/79/416477379.db2.gz CJVRKPZKQIANIP-INIZCTEOSA-N 1 2 319.409 0.632 10 0 DCAELO O=C(C[N@@H+]1CC[C@@](O)(c2c[nH]nn2)C1)N(C1CC1)C1CCCC1 ZINC000583618094 416477384 /nfs/dbraw/zinc/47/73/84/416477384.db2.gz CJVRKPZKQIANIP-INIZCTEOSA-N 1 2 319.409 0.632 10 0 DCAELO CC[NH+]1CCN(C(=O)C(=O)Nc2cn(C)nc2C(C)C)CC1 ZINC000361700916 416478922 /nfs/dbraw/zinc/47/89/22/416478922.db2.gz YZNVWYRODRLBBJ-UHFFFAOYSA-N 1 2 307.398 0.646 10 0 DCAELO C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)NC[C@H]2CCCO2)C1 ZINC000583623788 416480545 /nfs/dbraw/zinc/48/05/45/416480545.db2.gz DTWHMXLYRZTJEH-HUUCEWRRSA-N 1 2 311.426 0.918 10 0 DCAELO C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)NC[C@H]2CCCO2)C1 ZINC000583623788 416480549 /nfs/dbraw/zinc/48/05/49/416480549.db2.gz DTWHMXLYRZTJEH-HUUCEWRRSA-N 1 2 311.426 0.918 10 0 DCAELO OC[C@H]1CCCCN1c1cc(NC[C@H](O)C(F)F)[nH+]cn1 ZINC000435605364 416526939 /nfs/dbraw/zinc/52/69/39/416526939.db2.gz SLRMEFNYJYIPDQ-ZJUUUORDSA-N 1 2 302.325 0.866 10 0 DCAELO OC[C@H]1CCCCN1c1cc(NC[C@H](O)C(F)F)nc[nH+]1 ZINC000435605364 416526942 /nfs/dbraw/zinc/52/69/42/416526942.db2.gz SLRMEFNYJYIPDQ-ZJUUUORDSA-N 1 2 302.325 0.866 10 0 DCAELO CCN(CC)C(=O)C[NH+]1CCN(Cc2cnnn2CC)CC1 ZINC000459309820 416532024 /nfs/dbraw/zinc/53/20/24/416532024.db2.gz QBGDXOXEYITHCD-UHFFFAOYSA-N 1 2 308.430 0.284 10 0 DCAELO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H](CC)O[C@]2(CCOC2)C1 ZINC000373807810 416964725 /nfs/dbraw/zinc/96/47/25/416964725.db2.gz WNXPNVDACYUETB-SLEUVZQESA-N 1 2 313.398 0.491 10 0 DCAELO CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H](CC)O[C@]2(CCOC2)C1 ZINC000373807810 416964734 /nfs/dbraw/zinc/96/47/34/416964734.db2.gz WNXPNVDACYUETB-SLEUVZQESA-N 1 2 313.398 0.491 10 0 DCAELO C[C@H]1CCCN1S(=O)(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000375220161 416995423 /nfs/dbraw/zinc/99/54/23/416995423.db2.gz IWNLDVJYMJOMFZ-STQMWFEESA-N 1 2 303.428 0.122 10 0 DCAELO COc1nc(NC[C@H]2COCC[N@@H+]2C)ncc1Br ZINC000624620164 417071162 /nfs/dbraw/zinc/07/11/62/417071162.db2.gz WRXQCTQWMCKDLK-QMMMGPOBSA-N 1 2 317.187 0.990 10 0 DCAELO COc1nc(NC[C@H]2COCC[N@H+]2C)ncc1Br ZINC000624620164 417071169 /nfs/dbraw/zinc/07/11/69/417071169.db2.gz WRXQCTQWMCKDLK-QMMMGPOBSA-N 1 2 317.187 0.990 10 0 DCAELO Cc1nc(NCCc2[nH+]cccc2C)sc1S(N)(=O)=O ZINC000404717648 417120348 /nfs/dbraw/zinc/12/03/48/417120348.db2.gz IJJIGSKEBLKJJN-UHFFFAOYSA-N 1 2 312.420 1.457 10 0 DCAELO C[C@@H]1C[C@H]1CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000525233028 417132539 /nfs/dbraw/zinc/13/25/39/417132539.db2.gz WRLTUZGRTXDKPD-OLZOCXBDSA-N 1 2 307.398 0.993 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@H]3CCc4c[nH]nc4C3)C[C@H]21 ZINC000408023849 417134606 /nfs/dbraw/zinc/13/46/06/417134606.db2.gz WGSWNSUVWKYEMM-NWANDNLSSA-N 1 2 319.409 0.382 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@H]3CCc4c[nH]nc4C3)C[C@H]21 ZINC000408023849 417134615 /nfs/dbraw/zinc/13/46/15/417134615.db2.gz WGSWNSUVWKYEMM-NWANDNLSSA-N 1 2 319.409 0.382 10 0 DCAELO C[N@@H+]1CCO[C@H](CS(=O)(=O)N2C[C@]3(C)COC[C@]3(C)C2)C1 ZINC000632552759 417157738 /nfs/dbraw/zinc/15/77/38/417157738.db2.gz YCWWPGVHQLXSDO-MELADBBJSA-N 1 2 318.439 0.005 10 0 DCAELO C[N@H+]1CCO[C@H](CS(=O)(=O)N2C[C@]3(C)COC[C@]3(C)C2)C1 ZINC000632552759 417157743 /nfs/dbraw/zinc/15/77/43/417157743.db2.gz YCWWPGVHQLXSDO-MELADBBJSA-N 1 2 318.439 0.005 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCOC[C@@H]1C(N)=O)C2 ZINC000527252191 417229869 /nfs/dbraw/zinc/22/98/69/417229869.db2.gz OPNUBRZDUQRPCY-GXFFZTMASA-N 1 2 320.393 0.351 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCOC[C@@H]1C(N)=O)CC2 ZINC000527252191 417229876 /nfs/dbraw/zinc/22/98/76/417229876.db2.gz OPNUBRZDUQRPCY-GXFFZTMASA-N 1 2 320.393 0.351 10 0 DCAELO CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000627465844 417425319 /nfs/dbraw/zinc/42/53/19/417425319.db2.gz QENADLJKKLXUJH-SECBINFHSA-N 1 2 323.397 0.396 10 0 DCAELO CCOC(=O)[C@H]1CN(C(=O)NCc2[nH+]ccn2C)CC12COC2 ZINC000454524142 417566137 /nfs/dbraw/zinc/56/61/37/417566137.db2.gz HXXSDNUJCGDPBO-LLVKDONJSA-N 1 2 322.365 0.141 10 0 DCAELO CC(=O)N1CCN(C(=O)NCCCCn2cc[nH+]c2)[C@H](C)C1 ZINC000531921346 417649906 /nfs/dbraw/zinc/64/99/06/417649906.db2.gz JLDFNCYIKKNQFO-CYBMUJFWSA-N 1 2 307.398 0.926 10 0 DCAELO Cn1ncc(Br)c1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628913058 417718555 /nfs/dbraw/zinc/71/85/55/417718555.db2.gz MBWAHCGBJYLMRS-QMMMGPOBSA-N 1 2 317.187 0.243 10 0 DCAELO Cn1ncc(Br)c1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628913058 417718560 /nfs/dbraw/zinc/71/85/60/417718560.db2.gz MBWAHCGBJYLMRS-QMMMGPOBSA-N 1 2 317.187 0.243 10 0 DCAELO C[C@@H]1CO[C@@H](C)CN1C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000582160209 417733582 /nfs/dbraw/zinc/73/35/82/417733582.db2.gz CDKODCQAMHYZKA-MNOVXSKESA-N 1 2 302.334 0.909 10 0 DCAELO C[C@@H](CNC(=O)[C@@H]1Cc2ccccc2C(=O)O1)[NH+]1CCOCC1 ZINC000046269124 261105959 /nfs/dbraw/zinc/10/59/59/261105959.db2.gz CSTKICWVFDMDGP-WFASDCNBSA-N 1 2 318.373 0.605 10 0 DCAELO CC(C)(C)CNC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000193549082 261142224 /nfs/dbraw/zinc/14/22/24/261142224.db2.gz DYZNXBAQAQEDLX-UHFFFAOYSA-N 1 2 310.442 0.982 10 0 DCAELO Cc1ccc([C@@H](C)[NH2+]CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)o1 ZINC000193637349 261143218 /nfs/dbraw/zinc/14/32/18/261143218.db2.gz LHWKFPQCZYACJM-SECBINFHSA-N 1 2 320.349 0.101 10 0 DCAELO Cc1nc(C[C@@H]2CCC[N@H+](Cc3nc(N)nc(N)n3)C2)no1 ZINC000195517899 261151886 /nfs/dbraw/zinc/15/18/86/261151886.db2.gz AXBZKJZPBZVDOB-VIFPVBQESA-N 1 2 304.358 0.182 10 0 DCAELO Cc1nc(C[C@@H]2CCC[N@@H+](Cc3nc(N)nc(N)n3)C2)no1 ZINC000195517899 261151889 /nfs/dbraw/zinc/15/18/89/261151889.db2.gz AXBZKJZPBZVDOB-VIFPVBQESA-N 1 2 304.358 0.182 10 0 DCAELO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000363791383 262130047 /nfs/dbraw/zinc/13/00/47/262130047.db2.gz CIBPAFCFHKNACR-VXGBXAGGSA-N 1 2 312.414 0.016 10 0 DCAELO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000363791383 262130049 /nfs/dbraw/zinc/13/00/49/262130049.db2.gz CIBPAFCFHKNACR-VXGBXAGGSA-N 1 2 312.414 0.016 10 0 DCAELO CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000333192570 277102041 /nfs/dbraw/zinc/10/20/41/277102041.db2.gz SLZSCTXFXRUQCL-ZOBORPQBSA-N 1 2 301.456 0.340 10 0 DCAELO CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000333192570 277102042 /nfs/dbraw/zinc/10/20/42/277102042.db2.gz SLZSCTXFXRUQCL-ZOBORPQBSA-N 1 2 301.456 0.340 10 0 DCAELO CC(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000329618806 278008139 /nfs/dbraw/zinc/00/81/39/278008139.db2.gz GHANPIMNTYKAFI-YUELXQCFSA-N 1 2 309.410 0.176 10 0 DCAELO Cn1cc[nH+]c1[C@@H](NC(=O)N1CC(=O)N(C)C1)c1ccccc1 ZINC000546616555 288022060 /nfs/dbraw/zinc/02/20/60/288022060.db2.gz ZPTMKYSQELYJJW-AWEZNQCLSA-N 1 2 313.361 0.951 10 0 DCAELO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCSC[C@H]1CCO ZINC000547680009 288068155 /nfs/dbraw/zinc/06/81/55/288068155.db2.gz UNUSYCPVBJKDEW-VXGBXAGGSA-N 1 2 310.423 0.707 10 0 DCAELO CC(C)C[C@H](C[NH+](C)C)NC(=O)CSc1n[nH]c(=O)[nH]1 ZINC000187177130 279122227 /nfs/dbraw/zinc/12/22/27/279122227.db2.gz CIFGGXVYUBPJNH-SECBINFHSA-N 1 2 301.416 0.283 10 0 DCAELO O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N[C@H]1CC[C@H](CO)CC1 ZINC000553101016 288287209 /nfs/dbraw/zinc/28/72/09/288287209.db2.gz LHCWJUWGZMKFCJ-HAQNSBGRSA-N 1 2 316.361 0.940 10 0 DCAELO NC(=O)c1cc(Cl)nnc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000301464818 295171833 /nfs/dbraw/zinc/17/18/33/295171833.db2.gz GVYLCVKRHMICPW-VIFPVBQESA-N 1 2 311.773 0.140 10 0 DCAELO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000375109617 298119554 /nfs/dbraw/zinc/11/95/54/298119554.db2.gz FNWWBNKDQMABCF-IAQYHMDHSA-N 1 2 313.398 0.491 10 0 DCAELO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000375109617 298119556 /nfs/dbraw/zinc/11/95/56/298119556.db2.gz FNWWBNKDQMABCF-IAQYHMDHSA-N 1 2 313.398 0.491 10 0 DCAELO Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2nccn2C)o1 ZINC000261972614 301673674 /nfs/dbraw/zinc/67/36/74/301673674.db2.gz IJOSURVYTKFKGW-NSHDSACASA-N 1 2 310.379 0.657 10 0 DCAELO Cn1c2c([nH+]c1[C@@H]1CCCN1CC(=O)NC(N)=O)CCCC2 ZINC000276024269 302899699 /nfs/dbraw/zinc/89/96/99/302899699.db2.gz QVYJHTSUAXEKPO-LBPRGKRZSA-N 1 2 305.382 0.631 10 0 DCAELO NC(=O)N[C@H]1CC[N@@H+]([C@@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000408024688 303281400 /nfs/dbraw/zinc/28/14/00/303281400.db2.gz FZWOIDMYARNXQI-DTWKUNHWSA-N 1 2 308.304 0.282 10 0 DCAELO NC(=O)N[C@H]1CC[N@H+]([C@@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000408024688 303281402 /nfs/dbraw/zinc/28/14/02/303281402.db2.gz FZWOIDMYARNXQI-DTWKUNHWSA-N 1 2 308.304 0.282 10 0 DCAELO CC(C)CC[C@](C)(O)CNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000154745049 519695245 /nfs/dbraw/zinc/69/52/45/519695245.db2.gz QAZCEOUXWHCOHK-ZFWWWQNUSA-N 1 2 301.431 0.803 10 0 DCAELO CC(C)CC[C@](C)(O)CNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000154745049 519695248 /nfs/dbraw/zinc/69/52/48/519695248.db2.gz QAZCEOUXWHCOHK-ZFWWWQNUSA-N 1 2 301.431 0.803 10 0 DCAELO COCCn1ccc(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1 ZINC000189948215 522125009 /nfs/dbraw/zinc/12/50/09/522125009.db2.gz ZCOFNGNSMQENDU-ZFWWWQNUSA-N 1 2 322.409 0.322 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@H](C)OC)nc[nH+]1 ZINC000190633396 522571639 /nfs/dbraw/zinc/57/16/39/522571639.db2.gz HONINXOORGJOKG-RYUDHWBXSA-N 1 2 322.413 0.821 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@H](C)OC)[nH+]cn1 ZINC000190633396 522571649 /nfs/dbraw/zinc/57/16/49/522571649.db2.gz HONINXOORGJOKG-RYUDHWBXSA-N 1 2 322.413 0.821 10 0 DCAELO COC[C@H](O)CCNC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000131516890 522775092 /nfs/dbraw/zinc/77/50/92/522775092.db2.gz AXSGUWIUGJXMIY-CYBMUJFWSA-N 1 2 319.365 0.464 10 0 DCAELO C[C@H](CNC(=O)[C@H]1CC(c2cccnc2)=NO1)[NH+]1CCOCC1 ZINC000188465268 524447596 /nfs/dbraw/zinc/44/75/96/524447596.db2.gz FFSQIQDIIBURPR-IUODEOHRSA-N 1 2 318.377 0.412 10 0 DCAELO C[C@@H](CNC(=O)[C@H]1CC(c2cccnc2)=NO1)[NH+]1CCOCC1 ZINC000188465242 524704256 /nfs/dbraw/zinc/70/42/56/524704256.db2.gz FFSQIQDIIBURPR-SWLSCSKDSA-N 1 2 318.377 0.412 10 0 DCAELO O=S(=O)(CC1CC1)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000267178235 527165282 /nfs/dbraw/zinc/16/52/82/527165282.db2.gz JOAWXHAYZVEFNF-UHFFFAOYSA-N 1 2 311.407 0.748 10 0 DCAELO COC(=O)c1cc(C)cc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)c1 ZINC000457669202 536882555 /nfs/dbraw/zinc/88/25/55/536882555.db2.gz SQSGQARFZHSUJF-OAHLLOKOSA-N 1 2 317.389 0.511 10 0 DCAELO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cn3ccnc3s2)C[C@H]1C ZINC000188569657 545917774 /nfs/dbraw/zinc/91/77/74/545917774.db2.gz RJEYQXMMPCVBIC-GHMZBOCLSA-N 1 2 308.407 0.923 10 0 DCAELO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cn3ccnc3s2)C[C@H]1C ZINC000188569657 545917778 /nfs/dbraw/zinc/91/77/78/545917778.db2.gz RJEYQXMMPCVBIC-GHMZBOCLSA-N 1 2 308.407 0.923 10 0 DCAELO CO[C@@]1(CO)CCC[N@H+](Cc2nnnn2Cc2ccccc2)C1 ZINC000401773340 546225351 /nfs/dbraw/zinc/22/53/51/546225351.db2.gz KYIVXLUSHJDPOD-INIZCTEOSA-N 1 2 317.393 0.695 10 0 DCAELO CO[C@@]1(CO)CCC[N@@H+](Cc2nnnn2Cc2ccccc2)C1 ZINC000401773340 546225354 /nfs/dbraw/zinc/22/53/54/546225354.db2.gz KYIVXLUSHJDPOD-INIZCTEOSA-N 1 2 317.393 0.695 10 0 DCAELO Cc1nc(C[C@H]2CCC[N@@H+](CN3CC(=O)N(C)C3=O)C2)no1 ZINC000182278067 665764240 /nfs/dbraw/zinc/76/42/40/665764240.db2.gz LVAPUQXKRZJJFN-LLVKDONJSA-N 1 2 307.354 0.484 10 0 DCAELO Cc1nc(C[C@H]2CCC[N@H+](CN3CC(=O)N(C)C3=O)C2)no1 ZINC000182278067 665764241 /nfs/dbraw/zinc/76/42/41/665764241.db2.gz LVAPUQXKRZJJFN-LLVKDONJSA-N 1 2 307.354 0.484 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)c2cccnc2-n2cccn2)C1 ZINC000170683619 664586337 /nfs/dbraw/zinc/58/63/37/664586337.db2.gz IYONSUGKXNTDEC-GFCCVEGCSA-N 1 2 301.350 0.328 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)c2cccnc2-n2cccn2)C1 ZINC000170683619 664586339 /nfs/dbraw/zinc/58/63/39/664586339.db2.gz IYONSUGKXNTDEC-GFCCVEGCSA-N 1 2 301.350 0.328 10 0 DCAELO CN([C@@H]1C[NH+]2CCC1CC2)S(=O)(=O)C1CCC(=O)CC1 ZINC000708201793 667442336 /nfs/dbraw/zinc/44/23/36/667442336.db2.gz JCCHIPFTLKWPFE-CQSZACIVSA-N 1 2 300.424 0.854 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)c2csc(Br)n2)C1 ZINC000709600530 667445380 /nfs/dbraw/zinc/44/53/80/667445380.db2.gz IEMBYWGMVJFMMY-SSDOTTSWSA-N 1 2 320.212 0.966 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)c2csc(Br)n2)C1 ZINC000709600530 667445381 /nfs/dbraw/zinc/44/53/81/667445381.db2.gz IEMBYWGMVJFMMY-SSDOTTSWSA-N 1 2 320.212 0.966 10 0 DCAELO C[N@H+](C[C@@H]1C[C@H](F)CN1Cc1ncccn1)[C@H]1CCOC1=O ZINC000886096510 667731674 /nfs/dbraw/zinc/73/16/74/667731674.db2.gz KJSJZBMXSHEMRU-AVGNSLFASA-N 1 2 308.357 0.636 10 0 DCAELO C[N@@H+](C[C@@H]1C[C@H](F)CN1Cc1ncccn1)[C@H]1CCOC1=O ZINC000886096510 667731676 /nfs/dbraw/zinc/73/16/76/667731676.db2.gz KJSJZBMXSHEMRU-AVGNSLFASA-N 1 2 308.357 0.636 10 0 DCAELO Cn1cc([C@@H](O)CNC(=O)Nc2ccc3[nH+]ccn3c2)cn1 ZINC000743168742 667804629 /nfs/dbraw/zinc/80/46/29/667804629.db2.gz DFYWFMWWZABZCQ-LBPRGKRZSA-N 1 2 300.322 0.923 10 0 DCAELO C[C@H](CS(C)(=O)=O)[NH2+]Cc1cn(C)nc1Br ZINC000712448978 670149111 /nfs/dbraw/zinc/14/91/11/670149111.db2.gz SFIHQZXSNQTXIH-SSDOTTSWSA-N 1 2 310.217 0.705 10 0 DCAELO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CSC(C)(C)C ZINC000176555762 685146034 /nfs/dbraw/zinc/14/60/34/685146034.db2.gz AHOVGTOPCSXDKZ-GFCCVEGCSA-N 1 2 304.456 0.670 10 0 DCAELO Cn1cc([C@@H]2CC[N@H+](CN3C(=O)N[C@](C)(C4CC4)C3=O)C2)cn1 ZINC000246966089 685168198 /nfs/dbraw/zinc/16/81/98/685168198.db2.gz JZABDWKBWCVVSD-BDJLRTHQSA-N 1 2 317.393 0.887 10 0 DCAELO Cn1cc([C@@H]2CC[N@@H+](CN3C(=O)N[C@](C)(C4CC4)C3=O)C2)cn1 ZINC000246966089 685168203 /nfs/dbraw/zinc/16/82/03/685168203.db2.gz JZABDWKBWCVVSD-BDJLRTHQSA-N 1 2 317.393 0.887 10 0 DCAELO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)c1cnc(N)nc1 ZINC000251774538 685185604 /nfs/dbraw/zinc/18/56/04/685185604.db2.gz MOXLEWXTNLGGSQ-QWRGUYRKSA-N 1 2 311.411 0.306 10 0 DCAELO C[C@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)c1cnc(N)nc1 ZINC000251774538 685185607 /nfs/dbraw/zinc/18/56/07/685185607.db2.gz MOXLEWXTNLGGSQ-QWRGUYRKSA-N 1 2 311.411 0.306 10 0 DCAELO Cn1c[nH+]c(CCNC(=O)c2cnn(C)c2Br)c1 ZINC000313495560 1190396265 /nfs/dbraw/zinc/39/62/65/1190396265.db2.gz PEEXMBLWTPMQEO-UHFFFAOYSA-N 1 2 312.171 0.889 10 0 DCAELO CNC(=O)NCC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000189170460 529884811 /nfs/dbraw/zinc/88/48/11/529884811.db2.gz RMYBPQOLABPMOL-UHFFFAOYSA-N 1 2 324.812 0.743 10 0 DCAELO CNC(=O)NCC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000189170460 529884812 /nfs/dbraw/zinc/88/48/12/529884812.db2.gz RMYBPQOLABPMOL-UHFFFAOYSA-N 1 2 324.812 0.743 10 0 DCAELO CNC(=O)[C@H]1CCCN1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000179268985 529923587 /nfs/dbraw/zinc/92/35/87/529923587.db2.gz BCDWIAOLKYINPZ-GFCCVEGCSA-N 1 2 312.414 0.017 10 0 DCAELO CNC(=O)[C@H]1CCCN1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000179268985 529923588 /nfs/dbraw/zinc/92/35/88/529923588.db2.gz BCDWIAOLKYINPZ-GFCCVEGCSA-N 1 2 312.414 0.017 10 0 DCAELO CNS(=O)(=O)c1ccc(C(=O)N2CC[NH+](C3CC3)CC2)o1 ZINC000299357293 530027741 /nfs/dbraw/zinc/02/77/41/530027741.db2.gz ODGFONTWKNZLGV-UHFFFAOYSA-N 1 2 313.379 0.108 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[C@H](c3ncc[nH]3)C2)C1 ZINC000264251073 186327561 /nfs/dbraw/zinc/32/75/61/186327561.db2.gz BMIQIYHJOYKMIO-STQMWFEESA-N 1 2 307.398 0.629 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[C@H](c3ncc[nH]3)C2)C1 ZINC000264251073 186327564 /nfs/dbraw/zinc/32/75/64/186327564.db2.gz BMIQIYHJOYKMIO-STQMWFEESA-N 1 2 307.398 0.629 10 0 DCAELO COc1ncccc1C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000173861906 198262289 /nfs/dbraw/zinc/26/22/89/198262289.db2.gz OFGFQJUFHXEVGC-GXTWGEPZSA-N 1 2 305.378 0.883 10 0 DCAELO C[C@@H](O)C[N@@H+]1CCN(C(=O)COc2ccccc2C=O)C[C@H]1C ZINC000174355212 198324144 /nfs/dbraw/zinc/32/41/44/198324144.db2.gz YWHZBCSKIMTRLM-ZIAGYGMSSA-N 1 2 320.389 0.791 10 0 DCAELO C[C@@H](O)C[N@H+]1CCN(C(=O)COc2ccccc2C=O)C[C@H]1C ZINC000174355212 198324146 /nfs/dbraw/zinc/32/41/46/198324146.db2.gz YWHZBCSKIMTRLM-ZIAGYGMSSA-N 1 2 320.389 0.791 10 0 DCAELO CCOc1ccc(S(=O)(=O)NC[C@H]2C[N@H+](C)CCO2)cc1 ZINC000074773763 191357813 /nfs/dbraw/zinc/35/78/13/191357813.db2.gz RAEDGJSSTJERKH-ZDUSSCGKSA-N 1 2 314.407 0.694 10 0 DCAELO CCOc1ccc(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000074773763 191357816 /nfs/dbraw/zinc/35/78/16/191357816.db2.gz RAEDGJSSTJERKH-ZDUSSCGKSA-N 1 2 314.407 0.694 10 0 DCAELO CC[C@H]1C[N@H+](CCNS(=O)(=O)CC)CCN1CC(F)F ZINC000153687521 291208255 /nfs/dbraw/zinc/20/82/55/291208255.db2.gz AFFOSWPNFCLMPQ-NSHDSACASA-N 1 2 313.414 0.587 10 0 DCAELO CC[C@H]1C[N@@H+](CCNS(=O)(=O)CC)CCN1CC(F)F ZINC000153687521 291208256 /nfs/dbraw/zinc/20/82/56/291208256.db2.gz AFFOSWPNFCLMPQ-NSHDSACASA-N 1 2 313.414 0.587 10 0 DCAELO C[C@H]1CN(S(=O)(=O)CCc2ccccc2)CC[N@@H+]1CCO ZINC000188731829 200295870 /nfs/dbraw/zinc/29/58/70/200295870.db2.gz DSNRRNSXSVOHHW-AWEZNQCLSA-N 1 2 312.435 0.557 10 0 DCAELO C[C@H]1CN(S(=O)(=O)CCc2ccccc2)CC[N@H+]1CCO ZINC000188731829 200295872 /nfs/dbraw/zinc/29/58/72/200295872.db2.gz DSNRRNSXSVOHHW-AWEZNQCLSA-N 1 2 312.435 0.557 10 0 DCAELO C[C@H]1CN(S(=O)(=O)c2ccc(F)c(F)c2)CC[N@@H+]1CCO ZINC000188730564 200296304 /nfs/dbraw/zinc/29/63/04/200296304.db2.gz UAQQXHJAJRIAAX-JTQLQIEISA-N 1 2 320.361 0.652 10 0 DCAELO C[C@H]1CN(S(=O)(=O)c2ccc(F)c(F)c2)CC[N@H+]1CCO ZINC000188730564 200296306 /nfs/dbraw/zinc/29/63/06/200296306.db2.gz UAQQXHJAJRIAAX-JTQLQIEISA-N 1 2 320.361 0.652 10 0 DCAELO Cn1c2ncn(Cc3c[nH+]c4ccccn34)c2c(=O)n(C)c1=O ZINC000155873529 291222304 /nfs/dbraw/zinc/22/23/04/291222304.db2.gz NYYCCQIEBYIABN-UHFFFAOYSA-N 1 2 310.317 0.130 10 0 DCAELO CCS(=O)(=O)NCC[N@@H+]1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000246694290 238160154 /nfs/dbraw/zinc/16/01/54/238160154.db2.gz MYOHLLWHGFNYPE-RWMBFGLXSA-N 1 2 306.428 0.194 10 0 DCAELO CCS(=O)(=O)NCC[N@H+]1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000246694290 238160156 /nfs/dbraw/zinc/16/01/56/238160156.db2.gz MYOHLLWHGFNYPE-RWMBFGLXSA-N 1 2 306.428 0.194 10 0 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/nfs/dbraw/zinc/33/36/44/291333644.db2.gz MABUTNBJHJSBRD-LXXZJREESA-N 1 2 305.440 0.384 10 0 DCAELO C[C@H]1CCNC(=O)[C@H]1NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000281959903 216658024 /nfs/dbraw/zinc/65/80/24/216658024.db2.gz VBGYXXSTABVFML-GWCFXTLKSA-N 1 2 305.382 0.543 10 0 DCAELO C[C@@H](CNC(=O)Nc1ccc(C(N)=O)c(F)c1)[NH+]1CCOCC1 ZINC000105342060 194098444 /nfs/dbraw/zinc/09/84/44/194098444.db2.gz UEAKJYPYOOXPPT-JTQLQIEISA-N 1 2 324.356 0.767 10 0 DCAELO COC(=O)C1(CS(=O)(=O)N2CC[NH+](C3CC3)CC2)CCC1 ZINC000574853911 291719296 /nfs/dbraw/zinc/71/92/96/291719296.db2.gz VGIZKTMKYJNKAW-UHFFFAOYSA-N 1 2 316.423 0.440 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCN2C(=O)C2CCCC2)C1 ZINC000106758915 194249786 /nfs/dbraw/zinc/24/97/86/194249786.db2.gz YOUPUFNJEDBTBL-CABCVRRESA-N 1 2 323.437 0.614 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCN2C(=O)C2CCCC2)C1 ZINC000106758915 194249789 /nfs/dbraw/zinc/24/97/89/194249789.db2.gz YOUPUFNJEDBTBL-CABCVRRESA-N 1 2 323.437 0.614 10 0 DCAELO 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ZINC000246659032 395955332 /nfs/dbraw/zinc/95/53/32/395955332.db2.gz WCRKFFQAQXEVNW-ZIAGYGMSSA-N 1 2 306.472 0.710 10 0 DCAELO CCOCC[N@@H+]1CCN(C[C@@H](C)CS(C)(=O)=O)C[C@H]1C ZINC000246659032 395955336 /nfs/dbraw/zinc/95/53/36/395955336.db2.gz WCRKFFQAQXEVNW-ZIAGYGMSSA-N 1 2 306.472 0.710 10 0 DCAELO CCOCC[N@H+]1CCN(C[C@@H](C)CS(C)(=O)=O)C[C@H]1C ZINC000246659032 395955339 /nfs/dbraw/zinc/95/53/39/395955339.db2.gz WCRKFFQAQXEVNW-ZIAGYGMSSA-N 1 2 306.472 0.710 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCO[C@@H](c3ccco3)C2)C1 ZINC000247100330 395967196 /nfs/dbraw/zinc/96/71/96/395967196.db2.gz ZGSUMHWPXXIIBB-GXTWGEPZSA-N 1 2 309.366 0.693 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)N2CCO[C@@H](c3ccco3)C2)C1 ZINC000247100330 395967199 /nfs/dbraw/zinc/96/71/99/395967199.db2.gz ZGSUMHWPXXIIBB-GXTWGEPZSA-N 1 2 309.366 0.693 10 0 DCAELO C[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)c1cn(-c2ccccc2)nn1 ZINC000151244057 395982119 /nfs/dbraw/zinc/98/21/19/395982119.db2.gz XSKKVGKTURPBTE-ZJUUUORDSA-N 1 2 302.338 0.501 10 0 DCAELO CNC(=O)[C@H]1C[N@H+](C[C@H](O)COc2ccc(C)cc2)CCO1 ZINC000248440356 395987070 /nfs/dbraw/zinc/98/70/70/395987070.db2.gz JHFSMWQCFVKIJO-DZGCQCFKSA-N 1 2 308.378 0.182 10 0 DCAELO CNC(=O)[C@H]1C[N@@H+](C[C@H](O)COc2ccc(C)cc2)CCO1 ZINC000248440356 395987074 /nfs/dbraw/zinc/98/70/74/395987074.db2.gz JHFSMWQCFVKIJO-DZGCQCFKSA-N 1 2 308.378 0.182 10 0 DCAELO COc1ccc(CC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)cc1F ZINC000151775438 395991999 /nfs/dbraw/zinc/99/19/99/395991999.db2.gz GILLVFKRXNJDTN-DZGCQCFKSA-N 1 2 308.353 0.918 10 0 DCAELO COc1ccc(CC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)cc1F ZINC000151775438 395992003 /nfs/dbraw/zinc/99/20/03/395992003.db2.gz GILLVFKRXNJDTN-DZGCQCFKSA-N 1 2 308.353 0.918 10 0 DCAELO Cn1cc[nH+]c1[C@H]1CN(C(=O)[C@@H](O)c2ccccc2)CCN1C ZINC000276783928 396028194 /nfs/dbraw/zinc/02/81/94/396028194.db2.gz VAVFWKHGFVLJJP-CABCVRRESA-N 1 2 314.389 0.969 10 0 DCAELO C[C@@H](C(=O)N1CCCCC1)[NH+]1CCN(c2cccnn2)CC1 ZINC000171351058 396115001 /nfs/dbraw/zinc/11/50/01/396115001.db2.gz FHPOCJXFSZJZQL-AWEZNQCLSA-N 1 2 303.410 1.000 10 0 DCAELO COC(=O)[C@@H]1C[C@H]1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000171367614 396115405 /nfs/dbraw/zinc/11/54/05/396115405.db2.gz SRKJQWRTSMIUCR-VXGBXAGGSA-N 1 2 300.318 0.693 10 0 DCAELO CNC(=O)c1ccc(C)c(NC(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000171706242 396122368 /nfs/dbraw/zinc/12/23/68/396122368.db2.gz ZOLQMEAXOOUQRE-ZDUSSCGKSA-N 1 2 320.393 0.807 10 0 DCAELO CNC(=O)c1ccc(C)c(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000171706242 396122372 /nfs/dbraw/zinc/12/23/72/396122372.db2.gz ZOLQMEAXOOUQRE-ZDUSSCGKSA-N 1 2 320.393 0.807 10 0 DCAELO CCOCC[N@@H+]1CCN(S(=O)(=O)CCOCC)C[C@@H]1C ZINC000172261872 396129458 /nfs/dbraw/zinc/12/94/58/396129458.db2.gz RSMYTLLKRRWIAM-ZDUSSCGKSA-N 1 2 308.444 0.395 10 0 DCAELO CCOCC[N@H+]1CCN(S(=O)(=O)CCOCC)C[C@@H]1C ZINC000172261872 396129460 /nfs/dbraw/zinc/12/94/60/396129460.db2.gz RSMYTLLKRRWIAM-ZDUSSCGKSA-N 1 2 308.444 0.395 10 0 DCAELO O=c1cc(N2CC[C@@H]([NH+]3CCOCC3)C2)nc2ccccn12 ZINC000173975867 396137216 /nfs/dbraw/zinc/13/72/16/396137216.db2.gz XJTXHCCEKNGCQT-CYBMUJFWSA-N 1 2 300.362 0.605 10 0 DCAELO O=C(NCc1cccc(-n2cncn2)c1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263195566 396205118 /nfs/dbraw/zinc/20/51/18/396205118.db2.gz IHYPDCDSQGILKO-LBPRGKRZSA-N 1 2 307.304 0.881 10 0 DCAELO CO[C@@H](C)c1noc(CN(C)C(=O)[C@H]2CC(F)(F)C[NH2+]2)n1 ZINC000263203974 396205988 /nfs/dbraw/zinc/20/59/88/396205988.db2.gz JLYNAROIZNKPQU-JGVFFNPUSA-N 1 2 304.297 0.733 10 0 DCAELO Cn1c2c([nH+]c1[C@@H]1CCCN1C(=O)Cn1cnnn1)CCCC2 ZINC000279152128 396154354 /nfs/dbraw/zinc/15/43/54/396154354.db2.gz HLBUMMQWHJLCNG-ZDUSSCGKSA-N 1 2 315.381 0.649 10 0 DCAELO CN1C[C@@H](NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)CCC1=O ZINC000177540192 396178006 /nfs/dbraw/zinc/17/80/06/396178006.db2.gz FQPNQIIHYUUQLD-STQMWFEESA-N 1 2 305.382 0.678 10 0 DCAELO O=C(NCc1ccn2cc[nH+]c2c1)NC[C@]1(CCO)CCOC1 ZINC000177789740 396183667 /nfs/dbraw/zinc/18/36/67/396183667.db2.gz WLNLXIWWCXKSJC-INIZCTEOSA-N 1 2 318.377 0.923 10 0 DCAELO NC(=O)CCOc1ccc(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)cc1 ZINC000262925519 396192324 /nfs/dbraw/zinc/19/23/24/396192324.db2.gz HJEAUOXUENETHE-NSHDSACASA-N 1 2 313.304 0.877 10 0 DCAELO O=C(CCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)NCc1ccccc1 ZINC000262975799 396195665 /nfs/dbraw/zinc/19/56/65/396195665.db2.gz MGRMQMRCZLDIBN-LBPRGKRZSA-N 1 2 311.332 0.806 10 0 DCAELO Cn1c2ccc(NC(=O)[C@H]3CC(F)(F)C[NH2+]3)cc2n(C)c1=O ZINC000263024443 396198811 /nfs/dbraw/zinc/19/88/11/396198811.db2.gz RGRKEQOHYJVBRS-SECBINFHSA-N 1 2 310.304 0.813 10 0 DCAELO C[C@@](O)(CNC(=O)c1cc(F)ccc1O)C[NH+]1CCOCC1 ZINC000080035496 396274340 /nfs/dbraw/zinc/27/43/40/396274340.db2.gz JYXOXQVQUABFHM-OAHLLOKOSA-N 1 2 312.341 0.344 10 0 DCAELO CC[C@@H](CO)[NH+]1CCN(C(=O)CSc2n[nH]c(C)n2)CC1 ZINC000179405803 396226383 /nfs/dbraw/zinc/22/63/83/396226383.db2.gz IUCYWOCIJBOIGS-NSHDSACASA-N 1 2 313.427 0.120 10 0 DCAELO CC[C@@H](CO)[NH+]1CCN(C(=O)CSc2nnc(C)[nH]2)CC1 ZINC000179405803 396226386 /nfs/dbraw/zinc/22/63/86/396226386.db2.gz IUCYWOCIJBOIGS-NSHDSACASA-N 1 2 313.427 0.120 10 0 DCAELO C[C@@H](CO)[C@@H](C)NC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000077772730 396232939 /nfs/dbraw/zinc/23/29/39/396232939.db2.gz PKZCDKJRSUNBLY-QWHCGFSZSA-N 1 2 322.409 0.734 10 0 DCAELO CNC(=O)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000185030688 396315485 /nfs/dbraw/zinc/31/54/85/396315485.db2.gz RTVOMWAKFUMBFJ-UHFFFAOYSA-N 1 2 305.378 0.271 10 0 DCAELO COCC(=O)NC1C[NH+](C[C@H](O)COc2cccc(C)c2)C1 ZINC000185089722 396316824 /nfs/dbraw/zinc/31/68/24/396316824.db2.gz IQAVREBYHSFCLH-AWEZNQCLSA-N 1 2 308.378 0.182 10 0 DCAELO O=C(C[N@@H+]1CCO[C@@]2(CCOC2)C1)NCc1ccc(F)cc1 ZINC000185145373 396319843 /nfs/dbraw/zinc/31/98/43/396319843.db2.gz VVOKNPSZJBNIKW-INIZCTEOSA-N 1 2 308.353 0.933 10 0 DCAELO O=C(C[N@H+]1CCO[C@@]2(CCOC2)C1)NCc1ccc(F)cc1 ZINC000185145373 396319844 /nfs/dbraw/zinc/31/98/44/396319844.db2.gz VVOKNPSZJBNIKW-INIZCTEOSA-N 1 2 308.353 0.933 10 0 DCAELO COCCCCS(=O)(=O)N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC000184749127 396305098 /nfs/dbraw/zinc/30/50/98/396305098.db2.gz ZRSQMHXAZXJLHM-ZDUSSCGKSA-N 1 2 308.444 0.395 10 0 DCAELO COCCCCS(=O)(=O)N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC000184749127 396305102 /nfs/dbraw/zinc/30/51/02/396305102.db2.gz ZRSQMHXAZXJLHM-ZDUSSCGKSA-N 1 2 308.444 0.395 10 0 DCAELO C[C@@H](NC(=O)N1CC(NC(=O)C2CC2)C1)[C@@H](C)[NH+]1CCOCC1 ZINC000187033781 396362580 /nfs/dbraw/zinc/36/25/80/396362580.db2.gz WPTIPYACJJTAPS-VXGBXAGGSA-N 1 2 324.425 0.016 10 0 DCAELO C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[N@H+](C)C[C@@H]1CCCO1 ZINC000187811338 396374762 /nfs/dbraw/zinc/37/47/62/396374762.db2.gz CPNNKQCQJRJAAH-AVGNSLFASA-N 1 2 318.439 0.131 10 0 DCAELO C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[N@@H+](C)C[C@@H]1CCCO1 ZINC000187811338 396374764 /nfs/dbraw/zinc/37/47/64/396374764.db2.gz CPNNKQCQJRJAAH-AVGNSLFASA-N 1 2 318.439 0.131 10 0 DCAELO CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000187339621 396368241 /nfs/dbraw/zinc/36/82/41/396368241.db2.gz OETRBYRDVPHWOL-LBPRGKRZSA-N 1 2 304.350 0.374 10 0 DCAELO O=C([C@H]1CCNC(=O)C1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186400461 396349451 /nfs/dbraw/zinc/34/94/51/396349451.db2.gz AHUXKPWHPFTMBH-ZDUSSCGKSA-N 1 2 302.378 0.647 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)N2CCC(Cn3cncn3)CC2)C1 ZINC000186566336 396352512 /nfs/dbraw/zinc/35/25/12/396352512.db2.gz OUIRQIJBQCHZAB-CQSZACIVSA-N 1 2 322.413 0.030 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)N2CCC(Cn3cncn3)CC2)C1 ZINC000186566336 396352515 /nfs/dbraw/zinc/35/25/15/396352515.db2.gz OUIRQIJBQCHZAB-CQSZACIVSA-N 1 2 322.413 0.030 10 0 DCAELO C[C@H](CNC(=O)N1CC(NC(=O)C2CCC2)C1)[NH+]1CCOCC1 ZINC000188794562 396386330 /nfs/dbraw/zinc/38/63/30/396386330.db2.gz OXKHGRXWSCDNGP-GFCCVEGCSA-N 1 2 324.425 0.017 10 0 DCAELO C[C@H](NC(N)=O)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000188891409 396388770 /nfs/dbraw/zinc/38/87/70/396388770.db2.gz HZNAPJGMDPVOAU-JTQLQIEISA-N 1 2 324.812 0.871 10 0 DCAELO C[C@H](NC(N)=O)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000188891409 396388771 /nfs/dbraw/zinc/38/87/71/396388771.db2.gz HZNAPJGMDPVOAU-JTQLQIEISA-N 1 2 324.812 0.871 10 0 DCAELO CN(C)S(=O)(=O)[C@H]1CCCN(c2[nH+]cnc3c2cnn3C)C1 ZINC000286342816 396389344 /nfs/dbraw/zinc/38/93/44/396389344.db2.gz CFLGVPGLLDZPPB-JTQLQIEISA-N 1 2 324.410 0.224 10 0 DCAELO CN1CCC[N@H+](CC(=O)N2CCc3ccccc3C2)CC1=O ZINC000191083299 396415379 /nfs/dbraw/zinc/41/53/79/396415379.db2.gz SHALKUOFTYCNAU-UHFFFAOYSA-N 1 2 301.390 0.735 10 0 DCAELO CN1CCC[N@@H+](CC(=O)N2CCc3ccccc3C2)CC1=O ZINC000191083299 396415382 /nfs/dbraw/zinc/41/53/82/396415382.db2.gz SHALKUOFTYCNAU-UHFFFAOYSA-N 1 2 301.390 0.735 10 0 DCAELO Cc1cccn2c(=O)cc(C[N@H+]3CCCN(C)C(=O)C3)nc12 ZINC000191133627 396415981 /nfs/dbraw/zinc/41/59/81/396415981.db2.gz OATMKAYPQQBXIO-UHFFFAOYSA-N 1 2 300.362 0.667 10 0 DCAELO Cc1cccn2c(=O)cc(C[N@@H+]3CCCN(C)C(=O)C3)nc12 ZINC000191133627 396415983 /nfs/dbraw/zinc/41/59/83/396415983.db2.gz OATMKAYPQQBXIO-UHFFFAOYSA-N 1 2 300.362 0.667 10 0 DCAELO Cc1nc(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCO2)sc1C ZINC000192970066 396441615 /nfs/dbraw/zinc/44/16/15/396441615.db2.gz ACFFMAWPRPLMDO-JTQLQIEISA-N 1 2 312.395 0.145 10 0 DCAELO Cc1nc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCO2)sc1C ZINC000192970066 396441617 /nfs/dbraw/zinc/44/16/17/396441617.db2.gz ACFFMAWPRPLMDO-JTQLQIEISA-N 1 2 312.395 0.145 10 0 DCAELO CNC(=O)[C@@H]1CCCN1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000270187901 396462606 /nfs/dbraw/zinc/46/26/06/396462606.db2.gz ZICPBVAGFUVQDE-LBPRGKRZSA-N 1 2 305.382 0.639 10 0 DCAELO C[C@H](C[N@@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1)CS(C)(=O)=O ZINC000373802669 396615564 /nfs/dbraw/zinc/61/55/64/396615564.db2.gz AKANGCALVYWLGG-RDBSUJKOSA-N 1 2 305.440 0.937 10 0 DCAELO C[C@H](C[N@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1)CS(C)(=O)=O ZINC000373802669 396615566 /nfs/dbraw/zinc/61/55/66/396615566.db2.gz AKANGCALVYWLGG-RDBSUJKOSA-N 1 2 305.440 0.937 10 0 DCAELO C[C@@H]1CCCN1S(=O)(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000375220156 396718847 /nfs/dbraw/zinc/71/88/47/396718847.db2.gz IWNLDVJYMJOMFZ-CHWSQXEVSA-N 1 2 303.428 0.122 10 0 DCAELO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NC1(CO)CCOCC1 ZINC000375576446 396773911 /nfs/dbraw/zinc/77/39/11/396773911.db2.gz GRPUROIGXIROJE-ZIAGYGMSSA-N 1 2 319.405 0.812 10 0 DCAELO CN1CCN(C(=O)COCC(F)(F)F)C[C@@H]1c1[nH]cc[nH+]1 ZINC000328625278 396824865 /nfs/dbraw/zinc/82/48/65/396824865.db2.gz KPDNVPCLDAVNEA-SECBINFHSA-N 1 2 306.288 0.804 10 0 DCAELO CCc1nnsc1C(=O)N1CCN(C)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000328624713 396825025 /nfs/dbraw/zinc/82/50/25/396825025.db2.gz KBBXXRXHTZDDEN-SNVBAGLBSA-N 1 2 306.395 0.953 10 0 DCAELO Cn1ncc2c1C[C@@H](C(=O)N1CC[C@@H]([NH+]3CCOCC3)C1)CC2 ZINC000328817760 396832874 /nfs/dbraw/zinc/83/28/74/396832874.db2.gz OBKWCRPPYOOMBX-DZGCQCFKSA-N 1 2 318.421 0.458 10 0 DCAELO COC(=O)[C@@H]1CC[C@@H]1C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000375855179 396833842 /nfs/dbraw/zinc/83/38/42/396833842.db2.gz ZILNBXNNOMKWFE-IGQOVBAYSA-N 1 2 310.394 0.365 10 0 DCAELO CCC[C@@H](C(=O)OCC)[NH+]1CCN(Cc2nnc(C)[nH]2)CC1 ZINC000611431064 396867156 /nfs/dbraw/zinc/86/71/56/396867156.db2.gz KXIWEPUOWVRNOS-ZDUSSCGKSA-N 1 2 309.414 0.963 10 0 DCAELO CC1(C)C[N@H+](CCNC(=O)N2CC[C@H](CC(N)=O)C2)CCO1 ZINC000376775640 396975758 /nfs/dbraw/zinc/97/57/58/396975758.db2.gz DTGOWXSVQFDYSJ-GFCCVEGCSA-N 1 2 312.414 0.004 10 0 DCAELO CC1(C)C[N@@H+](CCNC(=O)N2CC[C@H](CC(N)=O)C2)CCO1 ZINC000376775640 396975761 /nfs/dbraw/zinc/97/57/61/396975761.db2.gz DTGOWXSVQFDYSJ-GFCCVEGCSA-N 1 2 312.414 0.004 10 0 DCAELO CCNC(=O)NC(=O)C[N@@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000408042448 397344859 /nfs/dbraw/zinc/34/48/59/397344859.db2.gz HGXWKZCVFKANTM-XQQFMLRXSA-N 1 2 313.398 0.084 10 0 DCAELO CCNC(=O)NC(=O)C[N@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000408042448 397344861 /nfs/dbraw/zinc/34/48/61/397344861.db2.gz HGXWKZCVFKANTM-XQQFMLRXSA-N 1 2 313.398 0.084 10 0 DCAELO CO[C@@H]1C[N@@H+](Cc2cn(CC3CC3)nn2)C[C@H]1c1c[nH]nn1 ZINC000621316348 397372539 /nfs/dbraw/zinc/37/25/39/397372539.db2.gz QKEFFAHZJSSYCX-GXTWGEPZSA-N 1 2 303.370 0.421 10 0 DCAELO CCOC(=O)[C@](C)(O)CNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000614175910 397392544 /nfs/dbraw/zinc/39/25/44/397392544.db2.gz OGIWISHZAYHPMB-CQSZACIVSA-N 1 2 306.322 0.770 10 0 DCAELO CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603884295 397625286 /nfs/dbraw/zinc/62/52/86/397625286.db2.gz RIJPDAFCTGCUEX-LLVKDONJSA-N 1 2 308.363 0.697 10 0 DCAELO C[C@@H]1C[C@@H]1CNC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000605847201 397672312 /nfs/dbraw/zinc/67/23/12/397672312.db2.gz IZDPRLMKTOFDGJ-UKRRQHHQSA-N 1 2 322.453 0.886 10 0 DCAELO COc1cc(N2CC[NH+]([C@H]3CCCCNC3=O)CC2)ncn1 ZINC000184068576 286229734 /nfs/dbraw/zinc/22/97/34/286229734.db2.gz ZDSFLOCAJDYJHE-LBPRGKRZSA-N 1 2 305.382 0.276 10 0 DCAELO CCn1c(SC[C@H](O)C[NH+]2CCOCC2)nnc1C1CC1 ZINC000066401277 158036384 /nfs/dbraw/zinc/03/63/84/158036384.db2.gz DHUAKGRSMIJGSI-GFCCVEGCSA-N 1 2 312.439 0.961 10 0 DCAELO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1nc(N)nc(N)n1 ZINC000105895157 158131955 /nfs/dbraw/zinc/13/19/55/158131955.db2.gz KELPXOWAFWLDIR-SNVBAGLBSA-N 1 2 302.386 0.723 10 0 DCAELO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1nc(N)nc(N)n1 ZINC000105895157 158131959 /nfs/dbraw/zinc/13/19/59/158131959.db2.gz KELPXOWAFWLDIR-SNVBAGLBSA-N 1 2 302.386 0.723 10 0 DCAELO CC[C@@H](C)C(=O)N1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000109896736 158138732 /nfs/dbraw/zinc/13/87/32/158138732.db2.gz USMYAAADAMERTK-ZIAGYGMSSA-N 1 2 311.426 0.424 10 0 DCAELO CNC(=O)[C@H]1CCC[N@H+](Cc2noc(C3CCOCC3)n2)C1 ZINC000111269319 158140096 /nfs/dbraw/zinc/14/00/96/158140096.db2.gz NFVWOFLKVDHLJI-LBPRGKRZSA-N 1 2 308.382 0.922 10 0 DCAELO CNC(=O)[C@H]1CCC[N@@H+](Cc2noc(C3CCOCC3)n2)C1 ZINC000111269319 158140101 /nfs/dbraw/zinc/14/01/01/158140101.db2.gz NFVWOFLKVDHLJI-LBPRGKRZSA-N 1 2 308.382 0.922 10 0 DCAELO CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116887550 158167008 /nfs/dbraw/zinc/16/70/08/158167008.db2.gz MSBXGJHZBWERKV-STQMWFEESA-N 1 2 319.471 0.503 10 0 DCAELO CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116887550 158167011 /nfs/dbraw/zinc/16/70/11/158167011.db2.gz MSBXGJHZBWERKV-STQMWFEESA-N 1 2 319.471 0.503 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)NCC[S@](=O)C(C)(C)C)C1 ZINC000116955827 158168952 /nfs/dbraw/zinc/16/89/52/158168952.db2.gz KTPSUSMUYMMZRS-BIBXISHDSA-N 1 2 305.444 0.163 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)NCC[S@](=O)C(C)(C)C)C1 ZINC000116955827 158168953 /nfs/dbraw/zinc/16/89/53/158168953.db2.gz KTPSUSMUYMMZRS-BIBXISHDSA-N 1 2 305.444 0.163 10 0 DCAELO C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116891797 158169092 /nfs/dbraw/zinc/16/90/92/158169092.db2.gz TUWSSFBFYVBXSG-YPMHNXCESA-N 1 2 317.455 0.447 10 0 DCAELO C[C@H](C(=O)NC1CCCCC1)[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116891797 158169095 /nfs/dbraw/zinc/16/90/95/158169095.db2.gz TUWSSFBFYVBXSG-YPMHNXCESA-N 1 2 317.455 0.447 10 0 DCAELO COCC[N@@H+]1CCN(S(=O)(=O)N2CCC[C@H](C)C2)C[C@H]1C ZINC000117369631 158171692 /nfs/dbraw/zinc/17/16/92/158171692.db2.gz ZQOYUKGENOTKGW-UONOGXRCSA-N 1 2 319.471 0.616 10 0 DCAELO COCC[N@H+]1CCN(S(=O)(=O)N2CCC[C@H](C)C2)C[C@H]1C ZINC000117369631 158171693 /nfs/dbraw/zinc/17/16/93/158171693.db2.gz ZQOYUKGENOTKGW-UONOGXRCSA-N 1 2 319.471 0.616 10 0 DCAELO COCC[N@@H+]1CCN(S(=O)(=O)C[C@@H]2CCOC2)C[C@@H]1C ZINC000117369386 158172376 /nfs/dbraw/zinc/17/23/76/158172376.db2.gz DXVCRVWVLRSRRC-QWHCGFSZSA-N 1 2 306.428 0.005 10 0 DCAELO COCC[N@H+]1CCN(S(=O)(=O)C[C@@H]2CCOC2)C[C@@H]1C ZINC000117369386 158172383 /nfs/dbraw/zinc/17/23/83/158172383.db2.gz DXVCRVWVLRSRRC-QWHCGFSZSA-N 1 2 306.428 0.005 10 0 DCAELO CN(C)c1[nH+]cccc1CNC(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000123643529 158233392 /nfs/dbraw/zinc/23/33/92/158233392.db2.gz XCTHAGTWMKOOBS-GFCCVEGCSA-N 1 2 318.381 0.067 10 0 DCAELO C[C@H](CNC(=O)C[C@H]1c2ccccc2NC1=O)[NH+]1CCOCC1 ZINC000125076297 158250715 /nfs/dbraw/zinc/25/07/15/158250715.db2.gz KGWAUWVULZEAHN-OCCSQVGLSA-N 1 2 317.389 0.949 10 0 DCAELO CC(C)Cn1cc[nH+]c1CNC(=O)CCSc1nnnn1C ZINC000131480069 158303373 /nfs/dbraw/zinc/30/33/73/158303373.db2.gz GNSGOQPNZABQOW-UHFFFAOYSA-N 1 2 323.426 0.861 10 0 DCAELO CC(C)NC(=O)C[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135722072 158340084 /nfs/dbraw/zinc/34/00/84/158340084.db2.gz SACQCRPVMPINJG-LBPRGKRZSA-N 1 2 303.428 0.011 10 0 DCAELO CC(C)NC(=O)C[N@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135722072 158340087 /nfs/dbraw/zinc/34/00/87/158340087.db2.gz SACQCRPVMPINJG-LBPRGKRZSA-N 1 2 303.428 0.011 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@@H](C)CO)nc[nH+]1 ZINC000152456814 158348867 /nfs/dbraw/zinc/34/88/67/158348867.db2.gz XRIBONYLBXURSZ-WDEREUQCSA-N 1 2 308.386 0.167 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@@H](C)CO)[nH+]cn1 ZINC000152456814 158348868 /nfs/dbraw/zinc/34/88/68/158348868.db2.gz XRIBONYLBXURSZ-WDEREUQCSA-N 1 2 308.386 0.167 10 0 DCAELO Cc1ccn2ncc(C(=O)N3CC[C@H]([NH+]4CCOCC4)C3)c2n1 ZINC000172759369 158399950 /nfs/dbraw/zinc/39/99/50/158399950.db2.gz BKIDQGAJCARTGS-ZDUSSCGKSA-N 1 2 315.377 0.584 10 0 DCAELO COCCCOCC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000181126239 158482972 /nfs/dbraw/zinc/48/29/72/158482972.db2.gz LPFBNXULGJLKOU-KBPBESRZSA-N 1 2 300.399 0.219 10 0 DCAELO CCN1CCCN(C(=O)NCc2ccc[nH+]c2N(C)C)CC1=O ZINC000188615227 158545905 /nfs/dbraw/zinc/54/59/05/158545905.db2.gz KNTNEIRSXKAXMF-UHFFFAOYSA-N 1 2 319.409 0.911 10 0 DCAELO C[C@@H]1CN(C(=O)c2cc(F)cc3n[nH]nc32)CC[N@@H+]1CCO ZINC000328641077 159016868 /nfs/dbraw/zinc/01/68/68/159016868.db2.gz CZVJSKJOVHPNRQ-SECBINFHSA-N 1 2 307.329 0.236 10 0 DCAELO C[C@@H]1CN(C(=O)c2cc(F)cc3n[nH]nc32)CC[N@H+]1CCO ZINC000328641077 159016869 /nfs/dbraw/zinc/01/68/69/159016869.db2.gz CZVJSKJOVHPNRQ-SECBINFHSA-N 1 2 307.329 0.236 10 0 DCAELO C[C@@H]1CN(C(=O)c2cc(F)cc3nn[nH]c32)CC[N@@H+]1CCO ZINC000328641077 159016870 /nfs/dbraw/zinc/01/68/70/159016870.db2.gz CZVJSKJOVHPNRQ-SECBINFHSA-N 1 2 307.329 0.236 10 0 DCAELO C[C@@H]1CN(C(=O)c2cc(F)cc3nn[nH]c32)CC[N@H+]1CCO ZINC000328641077 159016871 /nfs/dbraw/zinc/01/68/71/159016871.db2.gz CZVJSKJOVHPNRQ-SECBINFHSA-N 1 2 307.329 0.236 10 0 DCAELO CC(=O)N1CCC[C@H](C(=O)N2CC[NH2+][C@@H](c3cccnc3)C2)C1 ZINC000328659135 159017400 /nfs/dbraw/zinc/01/74/00/159017400.db2.gz SEJCNHJDBNWOCO-JKSUJKDBSA-N 1 2 316.405 0.813 10 0 DCAELO Cc1c[nH]nc1CN1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000328811372 159031244 /nfs/dbraw/zinc/03/12/44/159031244.db2.gz AXUYLHSOYPMSOY-CQSZACIVSA-N 1 2 321.425 0.083 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)s3)C[C@H]21 ZINC000328867530 159036357 /nfs/dbraw/zinc/03/63/57/159036357.db2.gz GZTKFQUBCQOUNA-NXEZZACHSA-N 1 2 309.391 0.392 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)s3)C[C@H]21 ZINC000328867530 159036359 /nfs/dbraw/zinc/03/63/59/159036359.db2.gz GZTKFQUBCQOUNA-NXEZZACHSA-N 1 2 309.391 0.392 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)CN3CCCCCCC3=O)C[C@H]21 ZINC000328872303 159036364 /nfs/dbraw/zinc/03/63/64/159036364.db2.gz DVFXKUAOIOCZRV-CABCVRRESA-N 1 2 323.437 0.711 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)CN3CCCCCCC3=O)C[C@H]21 ZINC000328872303 159036366 /nfs/dbraw/zinc/03/63/66/159036366.db2.gz DVFXKUAOIOCZRV-CABCVRRESA-N 1 2 323.437 0.711 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3csc4cncn43)C[C@H]21 ZINC000328884749 159038219 /nfs/dbraw/zinc/03/82/19/159038219.db2.gz OAQOJQMIJBGAAW-ZYHUDNBSSA-N 1 2 306.391 0.941 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3csc4cncn43)C[C@H]21 ZINC000328884749 159038221 /nfs/dbraw/zinc/03/82/21/159038221.db2.gz OAQOJQMIJBGAAW-ZYHUDNBSSA-N 1 2 306.391 0.941 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)COc3ccc(O)cc3)C[C@@H]21 ZINC000328932290 159042986 /nfs/dbraw/zinc/04/29/86/159042986.db2.gz DHXKFUZBFZUAFT-GJZGRUSLSA-N 1 2 306.362 0.703 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)COc3ccc(O)cc3)C[C@@H]21 ZINC000328932290 159042988 /nfs/dbraw/zinc/04/29/88/159042988.db2.gz DHXKFUZBFZUAFT-GJZGRUSLSA-N 1 2 306.362 0.703 10 0 DCAELO COc1ccc(CC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)nc1 ZINC000329169928 159069493 /nfs/dbraw/zinc/06/94/93/159069493.db2.gz JKTMOFGJTUKRNG-CABCVRRESA-N 1 2 305.378 0.564 10 0 DCAELO COc1ccc(CC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)nc1 ZINC000329169928 159069495 /nfs/dbraw/zinc/06/94/95/159069495.db2.gz JKTMOFGJTUKRNG-CABCVRRESA-N 1 2 305.378 0.564 10 0 DCAELO O=C(CN1CCn2cc[nH+]c2C1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000329350874 159084277 /nfs/dbraw/zinc/08/42/77/159084277.db2.gz TXXFBBVHXSROIK-ZIAGYGMSSA-N 1 2 304.394 0.869 10 0 DCAELO CCCC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000329753419 159117330 /nfs/dbraw/zinc/11/73/30/159117330.db2.gz WUJIDKYQHSBDEP-LSDHHAIUSA-N 1 2 323.437 0.711 10 0 DCAELO NC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CCO[C@@]3(CCOC3)C2)C1 ZINC000329905876 159127494 /nfs/dbraw/zinc/12/74/94/159127494.db2.gz RSUGKRZUDWYAFV-WFASDCNBSA-N 1 2 311.382 0.252 10 0 DCAELO NC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CCO[C@@]3(CCOC3)C2)C1 ZINC000329905876 159127497 /nfs/dbraw/zinc/12/74/97/159127497.db2.gz RSUGKRZUDWYAFV-WFASDCNBSA-N 1 2 311.382 0.252 10 0 DCAELO CCc1nc(CN2CC[NH+]([C@@H]3CCN(C4CC4)C3=O)CC2)no1 ZINC000330214221 159150565 /nfs/dbraw/zinc/15/05/65/159150565.db2.gz GATTWYJSEAYBON-CYBMUJFWSA-N 1 2 319.409 0.513 10 0 DCAELO Cn1c(-c2ccoc2)nnc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000407976021 160000726 /nfs/dbraw/zinc/00/07/26/160000726.db2.gz RXZGMNFBVMEFMS-ZDUSSCGKSA-N 1 2 303.366 0.986 10 0 DCAELO Cn1ncc2c1nc[nH+]c2N[C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000407977102 160000997 /nfs/dbraw/zinc/00/09/97/160000997.db2.gz QXVHLEADIQGWCN-QWRGUYRKSA-N 1 2 324.410 0.636 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCCCN3CCCC3=O)C[C@H]21 ZINC000408015860 160012089 /nfs/dbraw/zinc/01/20/89/160012089.db2.gz FVIDIMFNTIMEGM-ZIAGYGMSSA-N 1 2 324.425 0.113 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCCCN3CCCC3=O)C[C@H]21 ZINC000408015860 160012092 /nfs/dbraw/zinc/01/20/92/160012092.db2.gz FVIDIMFNTIMEGM-ZIAGYGMSSA-N 1 2 324.425 0.113 10 0 DCAELO CCS(=O)(=O)NCC[N@@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000408046540 160021273 /nfs/dbraw/zinc/02/12/73/160021273.db2.gz XDXPLBZHKGEIGT-MJBXVCDLSA-N 1 2 320.455 0.178 10 0 DCAELO CCS(=O)(=O)NCC[N@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000408046540 160021275 /nfs/dbraw/zinc/02/12/75/160021275.db2.gz XDXPLBZHKGEIGT-MJBXVCDLSA-N 1 2 320.455 0.178 10 0 DCAELO CS(=O)(=O)C1(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CCCC1 ZINC000408092515 160034105 /nfs/dbraw/zinc/03/41/05/160034105.db2.gz SHBWFGAAVGWOHS-LBPRGKRZSA-N 1 2 300.424 0.650 10 0 DCAELO CS(=O)(=O)C1(C(=O)N2CC[N@H+]3CCC[C@H]3C2)CCCC1 ZINC000408092515 160034107 /nfs/dbraw/zinc/03/41/07/160034107.db2.gz SHBWFGAAVGWOHS-LBPRGKRZSA-N 1 2 300.424 0.650 10 0 DCAELO O=S(=O)(N1CCCCC1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000408151785 160048614 /nfs/dbraw/zinc/04/86/14/160048614.db2.gz SOJPTQRELWXWME-UHFFFAOYSA-N 1 2 313.427 0.258 10 0 DCAELO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC([C@@H](C)O)CC1 ZINC000408208341 160060988 /nfs/dbraw/zinc/06/09/88/160060988.db2.gz MBGBJDRMBKSXHR-ZIAGYGMSSA-N 1 2 312.458 0.425 10 0 DCAELO NS(=O)(=O)[C@H]1CCN(c2nc(C3CC3)[nH+]c3c2CCC3)C1 ZINC000408391277 160098511 /nfs/dbraw/zinc/09/85/11/160098511.db2.gz BXDSKVIEHGFKQR-JTQLQIEISA-N 1 2 308.407 0.710 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2cncc(F)c2)C[C@@H]1C ZINC000408431960 160106869 /nfs/dbraw/zinc/10/68/69/160106869.db2.gz CODJCXZUSQTGAU-QWRGUYRKSA-N 1 2 317.386 0.296 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2cncc(F)c2)C[C@@H]1C ZINC000408431960 160106871 /nfs/dbraw/zinc/10/68/71/160106871.db2.gz CODJCXZUSQTGAU-QWRGUYRKSA-N 1 2 317.386 0.296 10 0 DCAELO Cn1cc(C(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c(-c2ccoc2)n1 ZINC000408447509 160109935 /nfs/dbraw/zinc/10/99/35/160109935.db2.gz FTIDSASDEIQXHF-KBPBESRZSA-N 1 2 316.361 0.835 10 0 DCAELO Cn1cc(C(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c(-c2ccoc2)n1 ZINC000408447509 160109938 /nfs/dbraw/zinc/10/99/38/160109938.db2.gz FTIDSASDEIQXHF-KBPBESRZSA-N 1 2 316.361 0.835 10 0 DCAELO Cc1cc(C)n(CCCNC(=O)NC[C@H](C)[NH+]2CCOCC2)n1 ZINC000047722828 286888364 /nfs/dbraw/zinc/88/83/64/286888364.db2.gz RTERPGQUTVHOBO-HNNXBMFYSA-N 1 2 323.441 0.910 10 0 DCAELO Cc1ccc(OC[C@H](O)C[NH+]2CCN(C(=O)[C@@H](C)O)CC2)cc1 ZINC000152755294 287044172 /nfs/dbraw/zinc/04/41/72/287044172.db2.gz JULCXADWJFTDND-HUUCEWRRSA-N 1 2 322.405 0.260 10 0 DCAELO CC(C)N1CCO[C@H](C[NH+]2CCN(Cc3ncnn3C)CC2)C1 ZINC000177132908 287053938 /nfs/dbraw/zinc/05/39/38/287053938.db2.gz LKLVOGKKTWJAOW-OAHLLOKOSA-N 1 2 322.457 0.042 10 0 DCAELO CC1(C)COCC[N@@H+]1CCNC(=O)N[C@@H]1CCCn2ncnc21 ZINC000177369639 287054624 /nfs/dbraw/zinc/05/46/24/287054624.db2.gz UHRJKQAXXSKZQS-GFCCVEGCSA-N 1 2 322.413 0.523 10 0 DCAELO CC1(C)COCC[N@H+]1CCNC(=O)N[C@@H]1CCCn2ncnc21 ZINC000177369639 287054627 /nfs/dbraw/zinc/05/46/27/287054627.db2.gz UHRJKQAXXSKZQS-GFCCVEGCSA-N 1 2 322.413 0.523 10 0 DCAELO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)N2CCC[C@@H](C)C2)CC1 ZINC000246082527 287076166 /nfs/dbraw/zinc/07/61/66/287076166.db2.gz HGJBEKOVRKNFAW-ZIAGYGMSSA-N 1 2 319.471 0.352 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)N2CCC[C@H](C)C2)C[C@@H]1C ZINC000246204944 287079165 /nfs/dbraw/zinc/07/91/65/287079165.db2.gz QQBNSKASRNYLCL-IHRRRGAJSA-N 1 2 319.471 0.350 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)N2CCC[C@H](C)C2)C[C@@H]1C ZINC000246204944 287079168 /nfs/dbraw/zinc/07/91/68/287079168.db2.gz QQBNSKASRNYLCL-IHRRRGAJSA-N 1 2 319.471 0.350 10 0 DCAELO COCC[N@@H+]1CCN(C(=O)N[C@H](C)C[S@](C)=O)C[C@@H]1C ZINC000248506716 287098109 /nfs/dbraw/zinc/09/81/09/287098109.db2.gz WYDPHBQCDLECJI-JGRMJRGVSA-N 1 2 305.444 0.116 10 0 DCAELO COCC[N@H+]1CCN(C(=O)N[C@H](C)C[S@](C)=O)C[C@@H]1C ZINC000248506716 287098110 /nfs/dbraw/zinc/09/81/10/287098110.db2.gz WYDPHBQCDLECJI-JGRMJRGVSA-N 1 2 305.444 0.116 10 0 DCAELO NC(=O)[C@@H]1CCC[C@@H](NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000248820966 287102051 /nfs/dbraw/zinc/10/20/51/287102051.db2.gz BNWPOMPYFJCGCN-UMVBOHGHSA-N 1 2 323.437 0.790 10 0 DCAELO NC(=O)[C@@H]1CCC[C@@H](NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000248820966 287102054 /nfs/dbraw/zinc/10/20/54/287102054.db2.gz BNWPOMPYFJCGCN-UMVBOHGHSA-N 1 2 323.437 0.790 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)N2CCC[C@@H]2C)C[C@H]1C ZINC000248695604 287100271 /nfs/dbraw/zinc/10/02/71/287100271.db2.gz JPASBIDBDNCZTJ-XQQFMLRXSA-N 1 2 305.444 0.102 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)N2CCC[C@@H]2C)C[C@H]1C ZINC000248695604 287100272 /nfs/dbraw/zinc/10/02/72/287100272.db2.gz JPASBIDBDNCZTJ-XQQFMLRXSA-N 1 2 305.444 0.102 10 0 DCAELO Cc1cc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)c(C)o1 ZINC000249116726 287106759 /nfs/dbraw/zinc/10/67/59/287106759.db2.gz BIUJRZCUFHYJKV-MNOVXSKESA-N 1 2 316.423 0.972 10 0 DCAELO Cc1cc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)c(C)o1 ZINC000249116726 287106762 /nfs/dbraw/zinc/10/67/62/287106762.db2.gz BIUJRZCUFHYJKV-MNOVXSKESA-N 1 2 316.423 0.972 10 0 DCAELO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CCN(CCO)[C@H](C)C1 ZINC000249576274 287114461 /nfs/dbraw/zinc/11/44/61/287114461.db2.gz PPWNRGPDKJCYRY-QXSJWSMHSA-N 1 2 311.470 0.878 10 0 DCAELO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CCN(CCO)[C@H](C)C1 ZINC000249576274 287114462 /nfs/dbraw/zinc/11/44/62/287114462.db2.gz PPWNRGPDKJCYRY-QXSJWSMHSA-N 1 2 311.470 0.878 10 0 DCAELO CNS(=O)(=O)NC1CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000280912618 287135683 /nfs/dbraw/zinc/13/56/83/287135683.db2.gz DZCGOZRLASXOHC-UHFFFAOYSA-N 1 2 311.411 0.377 10 0 DCAELO COCC[N@@H+]1CCC[C@H]1CNC(=O)CSc1nc(C)n[nH]1 ZINC000074352036 415428712 /nfs/dbraw/zinc/42/87/12/415428712.db2.gz ZSNPPWQZFRFICR-NSHDSACASA-N 1 2 313.427 0.432 10 0 DCAELO COCC[N@H+]1CCC[C@H]1CNC(=O)CSc1nc(C)n[nH]1 ZINC000074352036 415428717 /nfs/dbraw/zinc/42/87/17/415428717.db2.gz ZSNPPWQZFRFICR-NSHDSACASA-N 1 2 313.427 0.432 10 0 DCAELO Cc1noc(CCNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)n1 ZINC000332761086 415465113 /nfs/dbraw/zinc/46/51/13/415465113.db2.gz RPTPDIBHOHEVLC-VXGBXAGGSA-N 1 2 309.370 0.035 10 0 DCAELO Cc1noc(CCNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)n1 ZINC000332761086 415465119 /nfs/dbraw/zinc/46/51/19/415465119.db2.gz RPTPDIBHOHEVLC-VXGBXAGGSA-N 1 2 309.370 0.035 10 0 DCAELO CC(=O)N[C@H](C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1)C1CCCC1 ZINC000332758748 415465624 /nfs/dbraw/zinc/46/56/24/415465624.db2.gz OKMMGKXGUMCBIF-OAGGEKHMSA-N 1 2 323.437 0.613 10 0 DCAELO CC(=O)N[C@H](C(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1)C1CCCC1 ZINC000332758748 415465630 /nfs/dbraw/zinc/46/56/30/415465630.db2.gz OKMMGKXGUMCBIF-OAGGEKHMSA-N 1 2 323.437 0.613 10 0 DCAELO COc1nccc(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)n1 ZINC000285227243 415611732 /nfs/dbraw/zinc/61/17/32/415611732.db2.gz PTHCBWMZZWHTEW-MNOVXSKESA-N 1 2 307.354 0.422 10 0 DCAELO COc1nccc(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)n1 ZINC000285227243 415611737 /nfs/dbraw/zinc/61/17/37/415611737.db2.gz PTHCBWMZZWHTEW-MNOVXSKESA-N 1 2 307.354 0.422 10 0 DCAELO C[C@H](C[NH+]1CCOCC1)N(C)S(=O)(=O)[C@H]1CCO[C@H](C)C1 ZINC000333443870 415652249 /nfs/dbraw/zinc/65/22/49/415652249.db2.gz QEQHBJCPTRJNJS-MCIONIFRSA-N 1 2 320.455 0.536 10 0 DCAELO C[C@H](OCc1ccccc1)C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000121106765 415792659 /nfs/dbraw/zinc/79/26/59/415792659.db2.gz GNUPSNYDJQKFQK-HOCLYGCPSA-N 1 2 322.405 0.401 10 0 DCAELO CC(C)Cn1cc[nH+]c1CNC(=O)CNC(=O)c1ccccn1 ZINC000173028699 416051100 /nfs/dbraw/zinc/05/11/00/416051100.db2.gz ONVKQDGSQBLNAQ-UHFFFAOYSA-N 1 2 315.377 0.980 10 0 DCAELO O=S(=O)(CC1CCOCC1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000173173728 416054058 /nfs/dbraw/zinc/05/40/58/416054058.db2.gz LDQDHQNRMDREHX-CQSZACIVSA-N 1 2 318.439 0.196 10 0 DCAELO O=S(=O)(CC1CCOCC1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000173173728 416054062 /nfs/dbraw/zinc/05/40/62/416054062.db2.gz LDQDHQNRMDREHX-CQSZACIVSA-N 1 2 318.439 0.196 10 0 DCAELO COC(=O)Cn1ncc2c1nc[nH+]c2N(C)Cc1cnccn1 ZINC000301306736 416079992 /nfs/dbraw/zinc/07/99/92/416079992.db2.gz ZIGJCJOVUSBHKG-UHFFFAOYSA-N 1 2 313.321 0.426 10 0 DCAELO CC(C)Cn1cc[nH+]c1CNC(=O)N1CCS(=O)(=O)CC1 ZINC000173460044 416058656 /nfs/dbraw/zinc/05/86/56/416058656.db2.gz FWDPZYYIQWTYNI-UHFFFAOYSA-N 1 2 314.411 0.479 10 0 DCAELO COC(=O)[C@H]1CCCC[N@@H+]1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000338229962 416061891 /nfs/dbraw/zinc/06/18/91/416061891.db2.gz FERAPGLFJWTIHR-NWDGAFQWSA-N 1 2 304.412 0.295 10 0 DCAELO COC(=O)[C@H]1CCCC[N@H+]1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000338229962 416061894 /nfs/dbraw/zinc/06/18/94/416061894.db2.gz FERAPGLFJWTIHR-NWDGAFQWSA-N 1 2 304.412 0.295 10 0 DCAELO Cc1cc(NC(=O)CC[N@@H+]2CCO[C@H](c3nnc(C)[nH]3)C2)no1 ZINC000173660289 416062008 /nfs/dbraw/zinc/06/20/08/416062008.db2.gz IUYFIEVNPJZMCN-NSHDSACASA-N 1 2 320.353 0.812 10 0 DCAELO Cc1cc(NC(=O)CC[N@H+]2CCO[C@H](c3nnc(C)[nH]3)C2)no1 ZINC000173660289 416062010 /nfs/dbraw/zinc/06/20/10/416062010.db2.gz IUYFIEVNPJZMCN-NSHDSACASA-N 1 2 320.353 0.812 10 0 DCAELO C[C@@H]1CN(C(=O)COC[C@@H]2CCOC2)C[C@@H]1[NH+]1CCOCC1 ZINC000173821571 416066022 /nfs/dbraw/zinc/06/60/22/416066022.db2.gz IPFBGEVGOFPSER-KFWWJZLASA-N 1 2 312.410 0.219 10 0 DCAELO Cc1cccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000174010066 416071926 /nfs/dbraw/zinc/07/19/26/416071926.db2.gz AECZVFBDSQOSBA-OAHLLOKOSA-N 1 2 317.389 0.867 10 0 DCAELO CC(C)OCCS(=O)(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000175120580 416097837 /nfs/dbraw/zinc/09/78/37/416097837.db2.gz XAQCWIJMXKZEBK-CYBMUJFWSA-N 1 2 306.428 0.194 10 0 DCAELO CC(C)OCCS(=O)(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000175120580 416097842 /nfs/dbraw/zinc/09/78/42/416097842.db2.gz XAQCWIJMXKZEBK-CYBMUJFWSA-N 1 2 306.428 0.194 10 0 DCAELO CC[NH+](CC)CC(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000176670647 416131576 /nfs/dbraw/zinc/13/15/76/416131576.db2.gz XLZDFECAHGJNMB-MRXNPFEDSA-N 1 2 310.486 0.957 10 0 DCAELO CCc1nnc(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)s1 ZINC000328950411 416140563 /nfs/dbraw/zinc/14/05/63/416140563.db2.gz LGXXGOOUDHNFJW-ZJUUUORDSA-N 1 2 311.411 1.037 10 0 DCAELO CCc1nnc(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)s1 ZINC000328950411 416140567 /nfs/dbraw/zinc/14/05/67/416140567.db2.gz LGXXGOOUDHNFJW-ZJUUUORDSA-N 1 2 311.411 1.037 10 0 DCAELO COCCc1noc(CN2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1 ZINC000177233662 416142568 /nfs/dbraw/zinc/14/25/68/416142568.db2.gz SFFVGHRHDYPCPP-STQMWFEESA-N 1 2 310.398 0.411 10 0 DCAELO COCCc1noc(C[N@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)n1 ZINC000177233662 416142570 /nfs/dbraw/zinc/14/25/70/416142570.db2.gz SFFVGHRHDYPCPP-STQMWFEESA-N 1 2 310.398 0.411 10 0 DCAELO COCCc1noc(C[N@@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)n1 ZINC000177233662 416142575 /nfs/dbraw/zinc/14/25/75/416142575.db2.gz SFFVGHRHDYPCPP-STQMWFEESA-N 1 2 310.398 0.411 10 0 DCAELO O=C(NC[C@]1(O)CCOC1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000179522703 416188476 /nfs/dbraw/zinc/18/84/76/416188476.db2.gz BPSDGJLPQQTOPL-MRXNPFEDSA-N 1 2 320.393 0.501 10 0 DCAELO CC(=O)NC[C@H]1CN(Cc2c[nH+]c3cc(C)ccn23)CCO1 ZINC000179711722 416192513 /nfs/dbraw/zinc/19/25/13/416192513.db2.gz LONMPJMLLZNTNT-HNNXBMFYSA-N 1 2 302.378 0.980 10 0 DCAELO Cc1cnn(C[C@@H]2CN([C@@H](C)C[NH+]3CCOCC3)CCO2)c1 ZINC000180478671 416197016 /nfs/dbraw/zinc/19/70/16/416197016.db2.gz APHLYPZJHIQQIM-HOTGVXAUSA-N 1 2 308.426 0.613 10 0 DCAELO COC(=O)[C@H]1C[C@@H](OC)C[N@@H+]1CCCNC(=O)C(F)(F)F ZINC000180648177 416199259 /nfs/dbraw/zinc/19/92/59/416199259.db2.gz QNXHDKFZKIOSRN-RKDXNWHRSA-N 1 2 312.288 0.317 10 0 DCAELO CC(C)COC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000181425674 416207662 /nfs/dbraw/zinc/20/76/62/416207662.db2.gz FBMYROXOFXIYGN-CQSZACIVSA-N 1 2 312.410 0.756 10 0 DCAELO CC(C)COC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000181425674 416207667 /nfs/dbraw/zinc/20/76/67/416207667.db2.gz FBMYROXOFXIYGN-CQSZACIVSA-N 1 2 312.410 0.756 10 0 DCAELO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)c2ccc3[nH]nnc3c2)cn1 ZINC000181442240 416207685 /nfs/dbraw/zinc/20/76/85/416207685.db2.gz LOHRCUKVEPHEOI-AWEZNQCLSA-N 1 2 311.349 0.478 10 0 DCAELO COc1cc(C(=O)N2CCCC[C@H]([NH+]3CCN(C)CC3)C2)on1 ZINC000182141350 416213064 /nfs/dbraw/zinc/21/30/64/416213064.db2.gz RRMIEERTYMRCHW-ZDUSSCGKSA-N 1 2 322.409 0.925 10 0 DCAELO C[C@@]1(C(N)=O)CCCC[N@@H+]1CC(=O)NC(=O)NC1CCCCC1 ZINC000185949658 416254763 /nfs/dbraw/zinc/25/47/63/416254763.db2.gz NOHFVFDMKWQBMP-INIZCTEOSA-N 1 2 324.425 0.875 10 0 DCAELO C[C@@]1(C(N)=O)CCCC[N@H+]1CC(=O)NC(=O)NC1CCCCC1 ZINC000185949658 416254769 /nfs/dbraw/zinc/25/47/69/416254769.db2.gz NOHFVFDMKWQBMP-INIZCTEOSA-N 1 2 324.425 0.875 10 0 DCAELO NC(=O)NC(=O)C[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000192474154 416305734 /nfs/dbraw/zinc/30/57/34/416305734.db2.gz MYSBMRXYJBGVFJ-UHFFFAOYSA-N 1 2 307.325 0.915 10 0 DCAELO CC(=O)c1cc(C(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)n(C)c1 ZINC000416288287 416363428 /nfs/dbraw/zinc/36/34/28/416363428.db2.gz DAVHAMBWRJQZKF-VXGBXAGGSA-N 1 2 307.394 0.755 10 0 DCAELO CC(=O)c1cc(C(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)n(C)c1 ZINC000416288287 416363430 /nfs/dbraw/zinc/36/34/30/416363430.db2.gz DAVHAMBWRJQZKF-VXGBXAGGSA-N 1 2 307.394 0.755 10 0 DCAELO Cc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000583617471 416477592 /nfs/dbraw/zinc/47/75/92/416477592.db2.gz WOZHMDBHLRJDJU-ZDUSSCGKSA-N 1 2 310.789 0.984 10 0 DCAELO Cc1nn(C)c(Cl)c1C[N@H+]1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000583617471 416477596 /nfs/dbraw/zinc/47/75/96/416477596.db2.gz WOZHMDBHLRJDJU-ZDUSSCGKSA-N 1 2 310.789 0.984 10 0 DCAELO Cc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@@](O)(c2c[nH]nn2)C1 ZINC000583617471 416477599 /nfs/dbraw/zinc/47/75/99/416477599.db2.gz WOZHMDBHLRJDJU-ZDUSSCGKSA-N 1 2 310.789 0.984 10 0 DCAELO Cc1nn(C)c(Cl)c1C[N@H+]1CCC[C@@](O)(c2c[nH]nn2)C1 ZINC000583617471 416477602 /nfs/dbraw/zinc/47/76/02/416477602.db2.gz WOZHMDBHLRJDJU-ZDUSSCGKSA-N 1 2 310.789 0.984 10 0 DCAELO CC(C)(C)n1ncnc1C[N@@H+]1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000583617993 416479021 /nfs/dbraw/zinc/47/90/21/416479021.db2.gz QXBIFXLVVFXRMR-AWEZNQCLSA-N 1 2 305.386 0.635 10 0 DCAELO CC(C)(C)n1ncnc1C[N@H+]1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000583617993 416479025 /nfs/dbraw/zinc/47/90/25/416479025.db2.gz QXBIFXLVVFXRMR-AWEZNQCLSA-N 1 2 305.386 0.635 10 0 DCAELO COC(=O)[C@](C)([NH2+]C[C@@H](O)COC[C@H]1CCCO1)C1CC1 ZINC000536605960 416547011 /nfs/dbraw/zinc/54/70/11/416547011.db2.gz VDSOXJQLJXQAQN-UMVBOHGHSA-N 1 2 301.383 0.474 10 0 DCAELO O=S(=O)(c1ccccc1)N1CC[NH2+]C[C@@H]1c1ncccn1 ZINC000616640080 417088611 /nfs/dbraw/zinc/08/86/11/417088611.db2.gz VRUQEJFKKHCQKT-CYBMUJFWSA-N 1 2 304.375 0.812 10 0 DCAELO Nc1cc([C@H]2CN(S(=O)(=O)c3ccccc3)CC[NH2+]2)ccn1 ZINC000616654197 417090141 /nfs/dbraw/zinc/09/01/41/417090141.db2.gz NWWSYDJMOWTGGC-CQSZACIVSA-N 1 2 318.402 0.999 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCO[C@@H](C(N)=O)C1)C2 ZINC000527240620 417225569 /nfs/dbraw/zinc/22/55/69/417225569.db2.gz QELWEMLRTLYGJP-ZWNOBZJWSA-N 1 2 320.393 0.351 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCO[C@@H](C(N)=O)C1)CC2 ZINC000527240620 417225575 /nfs/dbraw/zinc/22/55/75/417225575.db2.gz QELWEMLRTLYGJP-ZWNOBZJWSA-N 1 2 320.393 0.351 10 0 DCAELO C[C@H]1CN(C(=O)C(=O)NC[C@H]2CCCn3cc[nH+]c32)CCCO1 ZINC000569762424 417294455 /nfs/dbraw/zinc/29/44/55/417294455.db2.gz ODNXKEUFJMEHEL-QWHCGFSZSA-N 1 2 320.393 0.514 10 0 DCAELO C[C@H](O)CC[N@@H+]1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000450581310 417238913 /nfs/dbraw/zinc/23/89/13/417238913.db2.gz DXBCICWFFKFBNP-QWHCGFSZSA-N 1 2 318.373 0.754 10 0 DCAELO C[C@H](O)CC[N@H+]1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000450581310 417238920 /nfs/dbraw/zinc/23/89/20/417238920.db2.gz DXBCICWFFKFBNP-QWHCGFSZSA-N 1 2 318.373 0.754 10 0 DCAELO Cc1ccc2nnc(CNc3ncnc4c3C[N@H+](C)CC4)n2c1 ZINC000643611392 417256306 /nfs/dbraw/zinc/25/63/06/417256306.db2.gz NECAXQDQSQREQL-UHFFFAOYSA-N 1 2 309.377 1.428 10 0 DCAELO Cc1ccc2nnc(CNc3ncnc4c3C[N@@H+](C)CC4)n2c1 ZINC000643611392 417256308 /nfs/dbraw/zinc/25/63/08/417256308.db2.gz NECAXQDQSQREQL-UHFFFAOYSA-N 1 2 309.377 1.428 10 0 DCAELO CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(S(=O)(=O)c2cn(C)cn2)C1 ZINC000643718784 417317076 /nfs/dbraw/zinc/31/70/76/417317076.db2.gz HFDPNCFGJSHRSY-ZJUUUORDSA-N 1 2 311.367 0.294 10 0 DCAELO O[C@@H]1C[N@H+](Cc2ccc(Br)cn2)C[C@H]1n1ccnn1 ZINC000628504827 417628632 /nfs/dbraw/zinc/62/86/32/417628632.db2.gz PJCBLLNWRASLQR-VXGBXAGGSA-N 1 2 324.182 0.853 10 0 DCAELO O[C@@H]1C[N@@H+](Cc2ccc(Br)cn2)C[C@H]1n1ccnn1 ZINC000628504827 417628639 /nfs/dbraw/zinc/62/86/39/417628639.db2.gz PJCBLLNWRASLQR-VXGBXAGGSA-N 1 2 324.182 0.853 10 0 DCAELO Cc1cc(NC(=O)C[N@@H+]2CC[C@H](N3CCOCC3)C2)n(C)n1 ZINC000173934931 545884245 /nfs/dbraw/zinc/88/42/45/545884245.db2.gz WCZKLIUBCRZDHD-ZDUSSCGKSA-N 1 2 307.398 0.074 10 0 DCAELO Cc1cc(NC(=O)C[N@H+]2CC[C@H](N3CCOCC3)C2)n(C)n1 ZINC000173934931 545884253 /nfs/dbraw/zinc/88/42/53/545884253.db2.gz WCZKLIUBCRZDHD-ZDUSSCGKSA-N 1 2 307.398 0.074 10 0 DCAELO Cc1cc(NC(=O)CN2CC[C@H]([NH+]3CCOCC3)C2)n(C)n1 ZINC000173934931 545884257 /nfs/dbraw/zinc/88/42/57/545884257.db2.gz WCZKLIUBCRZDHD-ZDUSSCGKSA-N 1 2 307.398 0.074 10 0 DCAELO CC(=O)c1ccc(NC(=O)N[C@H](CO)C[NH+]2CCOCC2)cc1 ZINC000631473354 417887136 /nfs/dbraw/zinc/88/71/36/417887136.db2.gz XDTCSEDWCPEXKY-HNNXBMFYSA-N 1 2 321.377 0.704 10 0 DCAELO CCOc1ncccc1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000194577626 261146445 /nfs/dbraw/zinc/14/64/45/261146445.db2.gz URJUAZBFAVTBKV-UHFFFAOYSA-N 1 2 318.377 0.725 10 0 DCAELO COc1cccc(CNC(=O)N[C@H](C)C[NH+]2CCOCC2)n1 ZINC000194649296 261147970 /nfs/dbraw/zinc/14/79/70/261147970.db2.gz KSVIYPPKAPVCHJ-GFCCVEGCSA-N 1 2 308.382 0.610 10 0 DCAELO COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)N1CC[NH+](C2CC2)CC1 ZINC000234609565 261155114 /nfs/dbraw/zinc/15/51/14/261155114.db2.gz RWINOWUCXIYQMB-QWHCGFSZSA-N 1 2 316.423 0.438 10 0 DCAELO CCc1ncc(S(=O)(=O)N2CCC[N@H+](CCO)CC2)s1 ZINC000359232830 271109105 /nfs/dbraw/zinc/10/91/05/271109105.db2.gz PVKUUQFAIHIIJZ-UHFFFAOYSA-N 1 2 319.452 0.394 10 0 DCAELO CCc1ncc(S(=O)(=O)N2CCC[N@@H+](CCO)CC2)s1 ZINC000359232830 271109111 /nfs/dbraw/zinc/10/91/11/271109111.db2.gz PVKUUQFAIHIIJZ-UHFFFAOYSA-N 1 2 319.452 0.394 10 0 DCAELO Cc1cc(C[C@H](C)NC(=O)NCC[N@@H+]2CCOC[C@@H]2C)[nH]n1 ZINC000487548336 272041509 /nfs/dbraw/zinc/04/15/09/272041509.db2.gz KFLPWGKKRPHSOO-AAEUAGOBSA-N 1 2 309.414 0.669 10 0 DCAELO Cc1cc(C[C@H](C)NC(=O)NCC[N@H+]2CCOC[C@@H]2C)[nH]n1 ZINC000487548336 272041510 /nfs/dbraw/zinc/04/15/10/272041510.db2.gz KFLPWGKKRPHSOO-AAEUAGOBSA-N 1 2 309.414 0.669 10 0 DCAELO COC(=O)C(C)(C)N1CC[NH+](CC(=O)N[C@@H](C)C(C)C)CC1 ZINC000494418298 272221635 /nfs/dbraw/zinc/22/16/35/272221635.db2.gz ZDIMDGBUVALOCQ-ZDUSSCGKSA-N 1 2 313.442 0.716 10 0 DCAELO CCCCNC(=O)[C@@H](C)[NH+]1CCN(C(C)(C)C(=O)OC)CC1 ZINC000494415804 272221726 /nfs/dbraw/zinc/22/17/26/272221726.db2.gz RZGYBEDVNJNANV-CYBMUJFWSA-N 1 2 313.442 0.860 10 0 DCAELO CC(C)[C@@H]1N(C(=O)NCC[NH+]2CCOCC2)C[C@]12CCCO2 ZINC000333685908 277828746 /nfs/dbraw/zinc/82/87/46/277828746.db2.gz BWYURVUKTITXMO-GOEBONIOSA-N 1 2 311.426 0.918 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)N2CCC(C)CC2)C[C@H]1C ZINC000408433140 278295449 /nfs/dbraw/zinc/29/54/49/278295449.db2.gz KSBGUAZYKAPADZ-KGLIPLIRSA-N 1 2 319.471 0.350 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)N2CCC(C)CC2)C[C@H]1C ZINC000408433140 278295450 /nfs/dbraw/zinc/29/54/50/278295450.db2.gz KSBGUAZYKAPADZ-KGLIPLIRSA-N 1 2 319.471 0.350 10 0 DCAELO CCC(=O)N[C@H]1CCCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000547674982 288067367 /nfs/dbraw/zinc/06/73/67/288067367.db2.gz LYTGNPZMORDIKN-OLZOCXBDSA-N 1 2 319.409 0.898 10 0 DCAELO CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172756175 278682946 /nfs/dbraw/zinc/68/29/46/278682946.db2.gz WBVYVHUTXGWPCW-LSDHHAIUSA-N 1 2 323.437 0.567 10 0 DCAELO CC(C)Nc1nc(N2C[C@@H]3CCCC[C@H]3C2)nc(NCCO)[nH+]1 ZINC000550388164 288215638 /nfs/dbraw/zinc/21/56/38/288215638.db2.gz VURGTEBGELKMMD-STQMWFEESA-N 1 2 320.441 0.566 10 0 DCAELO CC(C)Nc1nc(NCCO)[nH+]c(N2C[C@@H]3CCCC[C@H]3C2)n1 ZINC000550388164 288215642 /nfs/dbraw/zinc/21/56/42/288215642.db2.gz VURGTEBGELKMMD-STQMWFEESA-N 1 2 320.441 0.566 10 0 DCAELO CC(C)Nc1nc(NCCO)nc(N2C[C@@H]3CCCC[C@H]3C2)[nH+]1 ZINC000550388164 288215645 /nfs/dbraw/zinc/21/56/45/288215645.db2.gz VURGTEBGELKMMD-STQMWFEESA-N 1 2 320.441 0.566 10 0 DCAELO COCCOC[C@@H](C)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000553081390 288286087 /nfs/dbraw/zinc/28/60/87/288286087.db2.gz OQOIBOYATICFIK-LLVKDONJSA-N 1 2 320.349 0.441 10 0 DCAELO CC1(C)CN(C(=O)c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)CC[C@H]1[NH3+] ZINC000261982615 281226303 /nfs/dbraw/zinc/22/63/03/281226303.db2.gz MFSKMLVWVXHKJK-SNVBAGLBSA-N 1 2 317.349 0.635 10 0 DCAELO CC1(C)CN(C(=O)c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)CC[C@@H]1[NH3+] ZINC000261982612 281226311 /nfs/dbraw/zinc/22/63/11/281226311.db2.gz MFSKMLVWVXHKJK-JTQLQIEISA-N 1 2 317.349 0.635 10 0 DCAELO CCc1noc(NC(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)n1 ZINC000333631120 281486309 /nfs/dbraw/zinc/48/63/09/281486309.db2.gz HOYKRFQWIKQAAN-GHMZBOCLSA-N 1 2 309.370 0.381 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH]nc4C3)C[C@@H]21 ZINC000284838821 290084245 /nfs/dbraw/zinc/08/42/45/290084245.db2.gz ZDOXBXZORXBCMJ-TUKIKUTGSA-N 1 2 304.394 0.446 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH]nc4C3)C[C@@H]21 ZINC000284838821 290084246 /nfs/dbraw/zinc/08/42/46/290084246.db2.gz ZDOXBXZORXBCMJ-TUKIKUTGSA-N 1 2 304.394 0.446 10 0 DCAELO COc1ccc(F)c(C(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c1OC ZINC000299749961 295147642 /nfs/dbraw/zinc/14/76/42/295147642.db2.gz MGADLMQDHGZNIF-WCQYABFASA-N 1 2 324.352 0.998 10 0 DCAELO COc1ccc(F)c(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c1OC ZINC000299749961 295147646 /nfs/dbraw/zinc/14/76/46/295147646.db2.gz MGADLMQDHGZNIF-WCQYABFASA-N 1 2 324.352 0.998 10 0 DCAELO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1S(=O)(=O)[C@@H]1CCCOC1 ZINC000329054964 297414709 /nfs/dbraw/zinc/41/47/09/297414709.db2.gz HXAHPFQZZJLBLA-HZSPNIEDSA-N 1 2 318.439 0.290 10 0 DCAELO C[C@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CCS1(=O)=O ZINC000172375187 300173434 /nfs/dbraw/zinc/17/34/34/300173434.db2.gz RTFJXIBIVRNRNP-JSGCOSHPSA-N 1 2 310.419 0.935 10 0 DCAELO C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1CCCc2nn(C)cc21 ZINC000583643005 336011124 /nfs/dbraw/zinc/01/11/24/336011124.db2.gz DUERDIZWBYOAHY-JSGCOSHPSA-N 1 2 321.425 0.817 10 0 DCAELO C[C@H]1COCC[N@H+]1CCNC(=O)N[C@H]1CCCc2nn(C)cc21 ZINC000583643005 336011125 /nfs/dbraw/zinc/01/11/25/336011125.db2.gz DUERDIZWBYOAHY-JSGCOSHPSA-N 1 2 321.425 0.817 10 0 DCAELO OC[C@H]1CCCN(c2cc(NCCn3ccnn3)[nH+]cn2)C1 ZINC000302192522 534399183 /nfs/dbraw/zinc/39/91/83/534399183.db2.gz RKFHNXOSVKJOQW-LBPRGKRZSA-N 1 2 303.370 0.389 10 0 DCAELO OC[C@H]1CCCN(c2cc(NCCn3ccnn3)nc[nH+]2)C1 ZINC000302192522 534399192 /nfs/dbraw/zinc/39/91/92/534399192.db2.gz RKFHNXOSVKJOQW-LBPRGKRZSA-N 1 2 303.370 0.389 10 0 DCAELO CC(C)CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247067739 519660682 /nfs/dbraw/zinc/66/06/82/519660682.db2.gz KPRFRQJIEYVZMM-NWDGAFQWSA-N 1 2 305.444 0.161 10 0 DCAELO CC(C)CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247067739 519660684 /nfs/dbraw/zinc/66/06/84/519660684.db2.gz KPRFRQJIEYVZMM-NWDGAFQWSA-N 1 2 305.444 0.161 10 0 DCAELO COc1cc(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)ccc1F ZINC000132272789 522115906 /nfs/dbraw/zinc/11/59/06/522115906.db2.gz JPQYHPNCKORPSO-GFCCVEGCSA-N 1 2 312.341 0.257 10 0 DCAELO CN(CC1(CO)CC1)c1cc(N(C)CC2(CO)CC2)[nH+]cn1 ZINC000188465053 522598581 /nfs/dbraw/zinc/59/85/81/522598581.db2.gz GXIANEOGBKLLBG-UHFFFAOYSA-N 1 2 306.410 0.894 10 0 DCAELO CO[C@H]1C[C@H](c2nc(C)no2)N(CC[N@@H+]2CCO[C@@H](C)C2)C1 ZINC000249456384 524022180 /nfs/dbraw/zinc/02/21/80/524022180.db2.gz XZVSATZFSFBJJN-FPMFFAJLSA-N 1 2 310.398 0.861 10 0 DCAELO CO[C@H]1C[C@H](c2nc(C)no2)N(CC[N@H+]2CCO[C@@H](C)C2)C1 ZINC000249456384 524022183 /nfs/dbraw/zinc/02/21/83/524022183.db2.gz XZVSATZFSFBJJN-FPMFFAJLSA-N 1 2 310.398 0.861 10 0 DCAELO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](CCN2CCO[C@@H](C)C2)C1 ZINC000249456384 524022185 /nfs/dbraw/zinc/02/21/85/524022185.db2.gz XZVSATZFSFBJJN-FPMFFAJLSA-N 1 2 310.398 0.861 10 0 DCAELO CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](CCN2CCO[C@@H](C)C2)C1 ZINC000249456384 524022189 /nfs/dbraw/zinc/02/21/89/524022189.db2.gz XZVSATZFSFBJJN-FPMFFAJLSA-N 1 2 310.398 0.861 10 0 DCAELO Cc1cccc(C[C@@H](CO)NC(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000188045454 524466086 /nfs/dbraw/zinc/46/60/86/524466086.db2.gz GJTNGNPOYDNPQI-HOTGVXAUSA-N 1 2 321.421 0.528 10 0 DCAELO Cc1cccc(C[C@@H](CO)NC(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000188045454 524466093 /nfs/dbraw/zinc/46/60/93/524466093.db2.gz GJTNGNPOYDNPQI-HOTGVXAUSA-N 1 2 321.421 0.528 10 0 DCAELO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000246248027 525955278 /nfs/dbraw/zinc/95/52/78/525955278.db2.gz VXUNHZHWXBDHOH-HIFRSBDPSA-N 1 2 322.453 0.269 10 0 DCAELO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCN2CCCC[C@H]2C1 ZINC000246248027 525955286 /nfs/dbraw/zinc/95/52/86/525955286.db2.gz VXUNHZHWXBDHOH-HIFRSBDPSA-N 1 2 322.453 0.269 10 0 DCAELO O=C(CCCCc1c[nH]nn1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000157931386 526428390 /nfs/dbraw/zinc/42/83/90/526428390.db2.gz UAHLYIAAADLCJF-AWEZNQCLSA-N 1 2 307.398 0.497 10 0 DCAELO O=C(CCCCc1c[nH]nn1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000157931386 526428395 /nfs/dbraw/zinc/42/83/95/526428395.db2.gz UAHLYIAAADLCJF-AWEZNQCLSA-N 1 2 307.398 0.497 10 0 DCAELO O=C(CCCCc1cn[nH]n1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000157931386 526428398 /nfs/dbraw/zinc/42/83/98/526428398.db2.gz UAHLYIAAADLCJF-AWEZNQCLSA-N 1 2 307.398 0.497 10 0 DCAELO O=C(CCCCc1cn[nH]n1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000157931386 526428403 /nfs/dbraw/zinc/42/84/03/526428403.db2.gz UAHLYIAAADLCJF-AWEZNQCLSA-N 1 2 307.398 0.497 10 0 DCAELO Cn1nccc1CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000163529766 527609519 /nfs/dbraw/zinc/60/95/19/527609519.db2.gz GAUGGIBQWUATLP-LBPRGKRZSA-N 1 2 300.366 0.893 10 0 DCAELO CN(C[C@@H]1C[N@H+](C)CCO1)S(=O)(=O)c1ccc(F)cc1 ZINC000074774914 545671075 /nfs/dbraw/zinc/67/10/75/545671075.db2.gz HKAPEPRPDXUHDB-LBPRGKRZSA-N 1 2 302.371 0.777 10 0 DCAELO CN(C[C@@H]1C[N@@H+](C)CCO1)S(=O)(=O)c1ccc(F)cc1 ZINC000074774914 545671079 /nfs/dbraw/zinc/67/10/79/545671079.db2.gz HKAPEPRPDXUHDB-LBPRGKRZSA-N 1 2 302.371 0.777 10 0 DCAELO CN(C(=O)NC[C@@H]1C[N@H+](C)CCO1)[C@@H]1CCCc2c1cnn2C ZINC000158465059 545856431 /nfs/dbraw/zinc/85/64/31/545856431.db2.gz ULZUABBPGIJWTD-TZMCWYRMSA-N 1 2 321.425 0.770 10 0 DCAELO CN(C(=O)NC[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CCCc2c1cnn2C ZINC000158465059 545856434 /nfs/dbraw/zinc/85/64/34/545856434.db2.gz ULZUABBPGIJWTD-TZMCWYRMSA-N 1 2 321.425 0.770 10 0 DCAELO O=C(NCCc1nccs1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173797531 545883856 /nfs/dbraw/zinc/88/38/56/545883856.db2.gz ZSRJUGBEDABLFW-LBPRGKRZSA-N 1 2 310.423 0.802 10 0 DCAELO COc1c2cnn(C)c2ncc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000182302295 545905764 /nfs/dbraw/zinc/90/57/64/545905764.db2.gz UBAMBHCXMOSZRW-UHFFFAOYSA-N 1 2 315.377 0.897 10 0 DCAELO O=S(=O)(CC[C@H]1CCCO1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000246045353 545962920 /nfs/dbraw/zinc/96/29/20/545962920.db2.gz SQMCZHDYFLIDJW-ZIAGYGMSSA-N 1 2 318.439 0.292 10 0 DCAELO C[C@H](NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1)[C@@H]1CCCOC1 ZINC000332763927 546059552 /nfs/dbraw/zinc/05/95/52/546059552.db2.gz ZKWNLQFYHSFPFQ-XGUBFFRZSA-N 1 2 311.426 0.916 10 0 DCAELO C[C@H](NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1)[C@@H]1CCCOC1 ZINC000332763927 546059553 /nfs/dbraw/zinc/05/95/53/546059553.db2.gz ZKWNLQFYHSFPFQ-XGUBFFRZSA-N 1 2 311.426 0.916 10 0 DCAELO COC(=O)[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@H](n3cc(C)cn3)C2)C1 ZINC000181376789 665562331 /nfs/dbraw/zinc/56/23/31/665562331.db2.gz XRUAOOTVPUZHKG-KGLIPLIRSA-N 1 2 320.393 0.807 10 0 DCAELO COC(=O)[C@@H]1CC(=O)N(C[N@H+]2CCC[C@H](n3cc(C)cn3)C2)C1 ZINC000181376789 665562334 /nfs/dbraw/zinc/56/23/34/665562334.db2.gz XRUAOOTVPUZHKG-KGLIPLIRSA-N 1 2 320.393 0.807 10 0 DCAELO O=C(Cc1[nH]nc2c1CCCC2)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000188397772 659335906 /nfs/dbraw/zinc/33/59/06/659335906.db2.gz ILJQSAJVBDRSEM-CYBMUJFWSA-N 1 2 318.421 0.764 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)[C@@]2(c3ccccc3)C[C@@H](O)C2)C1 ZINC000900439014 663244286 /nfs/dbraw/zinc/24/42/86/663244286.db2.gz NXVVGYVEOYZSBG-YQQAZPJKSA-N 1 2 304.390 0.526 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)[C@@]2(c3ccccc3)C[C@@H](O)C2)C1 ZINC000900439014 663244288 /nfs/dbraw/zinc/24/42/88/663244288.db2.gz NXVVGYVEOYZSBG-YQQAZPJKSA-N 1 2 304.390 0.526 10 0 DCAELO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC(=O)N3CCO[C@@H](C)C3)[C@H]2C1 ZINC000179499332 665361745 /nfs/dbraw/zinc/36/17/45/665361745.db2.gz BCEZDGWEPAHNDB-XGUBFFRZSA-N 1 2 312.410 0.502 10 0 DCAELO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC(=O)N3CCO[C@@H](C)C3)[C@H]2C1 ZINC000179499332 665361748 /nfs/dbraw/zinc/36/17/48/665361748.db2.gz BCEZDGWEPAHNDB-XGUBFFRZSA-N 1 2 312.410 0.502 10 0 DCAELO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC(=O)N3CCO[C@H](C)C3)[C@H]2C1 ZINC000179499318 665361805 /nfs/dbraw/zinc/36/18/05/665361805.db2.gz BCEZDGWEPAHNDB-KBXIAJHMSA-N 1 2 312.410 0.502 10 0 DCAELO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC(=O)N3CCO[C@H](C)C3)[C@H]2C1 ZINC000179499318 665361807 /nfs/dbraw/zinc/36/18/07/665361807.db2.gz BCEZDGWEPAHNDB-KBXIAJHMSA-N 1 2 312.410 0.502 10 0 DCAELO Cc1nc(C(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)no1 ZINC000179623371 665390083 /nfs/dbraw/zinc/39/00/83/665390083.db2.gz WAQJJJVRJNUYRE-AWEZNQCLSA-N 1 2 316.361 0.869 10 0 DCAELO 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ZINC000170240903 283175719 /nfs/dbraw/zinc/17/57/19/283175719.db2.gz JRCUHXRBSWPVSX-MRVPVSSYSA-N 1 2 318.406 0.993 10 0 DCAELO C[N@H+]1CCc2nc(NC(=O)[C@@H]3CCc4n[nH]nc4C3)sc2C1 ZINC000170240903 283175720 /nfs/dbraw/zinc/17/57/20/283175720.db2.gz JRCUHXRBSWPVSX-MRVPVSSYSA-N 1 2 318.406 0.993 10 0 DCAELO Cc1cc(C)n(C[C@H]2CN(CCC[NH+]3CCOCC3)CCO2)n1 ZINC000173696232 237164964 /nfs/dbraw/zinc/16/49/64/237164964.db2.gz PZOZNZQMSGEMLS-QGZVFWFLSA-N 1 2 322.453 0.923 10 0 DCAELO CC(=O)Nc1ccc(F)c(C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1 ZINC000187284090 200088115 /nfs/dbraw/zinc/08/81/15/200088115.db2.gz ABBAKUQMUZLRHG-NSHDSACASA-N 1 2 323.368 0.923 10 0 DCAELO CC(=O)Nc1ccc(F)c(C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1 ZINC000187284090 200088116 /nfs/dbraw/zinc/08/81/16/200088116.db2.gz ABBAKUQMUZLRHG-NSHDSACASA-N 1 2 323.368 0.923 10 0 DCAELO C[C@H]1CN(S(=O)(=O)CC2CCCCC2)CC[N@@H+]1CCO ZINC000188731620 237378530 /nfs/dbraw/zinc/37/85/30/237378530.db2.gz OBYSGDGKGRARTK-ZDUSSCGKSA-N 1 2 304.456 0.895 10 0 DCAELO C[C@H]1CN(S(=O)(=O)CC2CCCCC2)CC[N@H+]1CCO ZINC000188731620 237378535 /nfs/dbraw/zinc/37/85/35/237378535.db2.gz OBYSGDGKGRARTK-ZDUSSCGKSA-N 1 2 304.456 0.895 10 0 DCAELO CC[C@H]1C[N@H+](CC(=O)NCCC(=O)OC)CCN1CC(F)F ZINC000153708973 291207978 /nfs/dbraw/zinc/20/79/78/291207978.db2.gz OYWBCOFUAIJGQS-NSHDSACASA-N 1 2 321.368 0.327 10 0 DCAELO CC[C@H]1C[N@@H+](CC(=O)NCCC(=O)OC)CCN1CC(F)F ZINC000153708973 291207981 /nfs/dbraw/zinc/20/79/81/291207981.db2.gz OYWBCOFUAIJGQS-NSHDSACASA-N 1 2 321.368 0.327 10 0 DCAELO CCNC(=O)c1cccc(OC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000154723069 291215151 /nfs/dbraw/zinc/21/51/51/291215151.db2.gz OZPCALIUGDRHSU-AWEZNQCLSA-N 1 2 308.378 0.508 10 0 DCAELO Cn1cc[nH+]c1[C@@H]1CN(C(=O)[C@@H](O)c2ccccc2)CCN1C ZINC000276783943 238323603 /nfs/dbraw/zinc/32/36/03/238323603.db2.gz VAVFWKHGFVLJJP-GJZGRUSLSA-N 1 2 314.389 0.969 10 0 DCAELO O=C([C@@H]1CCCn2ccnc21)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000176459416 296035133 /nfs/dbraw/zinc/03/51/33/296035133.db2.gz SLGQMWDZEFLNGB-UONOGXRCSA-N 1 2 304.394 0.694 10 0 DCAELO C[C@H](c1ccccn1)[N@H+](C)CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000091702351 193094364 /nfs/dbraw/zinc/09/43/64/193094364.db2.gz YQMJGBKOCAGVDO-OLZOCXBDSA-N 1 2 304.394 0.798 10 0 DCAELO C[C@H](c1ccccn1)[N@@H+](C)CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000091702351 193094366 /nfs/dbraw/zinc/09/43/66/193094366.db2.gz YQMJGBKOCAGVDO-OLZOCXBDSA-N 1 2 304.394 0.798 10 0 DCAELO COC(=O)[C@@H]1CCC[C@H](C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)C1 ZINC000408022185 291386679 /nfs/dbraw/zinc/38/66/79/291386679.db2.gz RQEOFMHXKBDCDF-YJNKXOJESA-N 1 2 324.421 0.897 10 0 DCAELO COC(=O)[C@@H]1CCC[C@H](C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)C1 ZINC000408022185 291386681 /nfs/dbraw/zinc/38/66/81/291386681.db2.gz RQEOFMHXKBDCDF-YJNKXOJESA-N 1 2 324.421 0.897 10 0 DCAELO COc1ccc(C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)c(OC)c1 ZINC000093530707 193265821 /nfs/dbraw/zinc/26/58/21/193265821.db2.gz TXRNOPVEFZUSIG-GFCCVEGCSA-N 1 2 314.407 0.827 10 0 DCAELO COc1ccc(C[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)c(OC)c1 ZINC000093530707 193265823 /nfs/dbraw/zinc/26/58/23/193265823.db2.gz TXRNOPVEFZUSIG-GFCCVEGCSA-N 1 2 314.407 0.827 10 0 DCAELO O=C([C@@H]1C[C@H]2[C@H](CCN2c2cccc[nH+]2)O1)N1CCOCC1 ZINC000096064746 193516657 /nfs/dbraw/zinc/51/66/57/193516657.db2.gz PRSCSLPIGMKBQA-IHRRRGAJSA-N 1 2 303.362 0.677 10 0 DCAELO O=C(CN1CCCS1(=O)=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000101862337 193844864 /nfs/dbraw/zinc/84/48/64/193844864.db2.gz TUUVFRGPGDSDRB-UHFFFAOYSA-N 1 2 312.395 0.082 10 0 DCAELO COCc1ccccc1CNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000104781291 194039023 /nfs/dbraw/zinc/03/90/23/194039023.db2.gz INYLCFMHDOCFSE-HNNXBMFYSA-N 1 2 307.394 0.963 10 0 DCAELO COCc1ccccc1CNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000104781291 194039025 /nfs/dbraw/zinc/03/90/25/194039025.db2.gz INYLCFMHDOCFSE-HNNXBMFYSA-N 1 2 307.394 0.963 10 0 DCAELO CCN(CC)c1ccc(CNC(=O)N2CCNC(=O)CC2)c[nH+]1 ZINC000105115315 194074882 /nfs/dbraw/zinc/07/48/82/194074882.db2.gz ZCLJVGAGZNROOT-UHFFFAOYSA-N 1 2 319.409 0.959 10 0 DCAELO C[C@@H](Cc1ccc(O)cc1)NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000105181394 194082796 /nfs/dbraw/zinc/08/27/96/194082796.db2.gz BVSRQUTWLCRAPN-SWLSCSKDSA-N 1 2 307.394 0.953 10 0 DCAELO C[C@@H](Cc1ccc(O)cc1)NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000105181394 194082799 /nfs/dbraw/zinc/08/27/99/194082799.db2.gz BVSRQUTWLCRAPN-SWLSCSKDSA-N 1 2 307.394 0.953 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)N(CCO)Cc2ccccc2)C1 ZINC000105282954 194092500 /nfs/dbraw/zinc/09/25/00/194092500.db2.gz FZGOCGRWFODNLG-HNNXBMFYSA-N 1 2 307.394 0.521 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)N(CCO)Cc2ccccc2)C1 ZINC000105282954 194092503 /nfs/dbraw/zinc/09/25/03/194092503.db2.gz FZGOCGRWFODNLG-HNNXBMFYSA-N 1 2 307.394 0.521 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)NCCc3ccccn3)C[C@@H]21 ZINC000283936180 131034837 /nfs/dbraw/zinc/03/48/37/131034837.db2.gz JLNQLGJKBJEDKX-GJZGRUSLSA-N 1 2 304.394 0.739 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)NCCc3ccccn3)C[C@@H]21 ZINC000283936180 131034838 /nfs/dbraw/zinc/03/48/38/131034838.db2.gz JLNQLGJKBJEDKX-GJZGRUSLSA-N 1 2 304.394 0.739 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)NCCc3cccnc3)C[C@@H]21 ZINC000284214087 131060585 /nfs/dbraw/zinc/06/05/85/131060585.db2.gz ZRLKFGGLBZBCLI-GJZGRUSLSA-N 1 2 304.394 0.739 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)NCCc3cccnc3)C[C@@H]21 ZINC000284214087 131060587 /nfs/dbraw/zinc/06/05/87/131060587.db2.gz ZRLKFGGLBZBCLI-GJZGRUSLSA-N 1 2 304.394 0.739 10 0 DCAELO CCc1nn(C)cc1NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000284851161 131115693 /nfs/dbraw/zinc/11/56/93/131115693.db2.gz QJBQGEMJNUCEOV-KBPBESRZSA-N 1 2 307.398 0.919 10 0 DCAELO CCc1nn(C)cc1NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000284851161 131115695 /nfs/dbraw/zinc/11/56/95/131115695.db2.gz QJBQGEMJNUCEOV-KBPBESRZSA-N 1 2 307.398 0.919 10 0 DCAELO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1nnc2n1CCCC2 ZINC000173626238 285544590 /nfs/dbraw/zinc/54/45/90/285544590.db2.gz LOIMWNOVQMQAHR-NXEZZACHSA-N 1 2 308.386 0.499 10 0 DCAELO COc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000028659346 395696211 /nfs/dbraw/zinc/69/62/11/395696211.db2.gz DQSKYZPNIMLMCD-OAHLLOKOSA-N 1 2 319.405 0.864 10 0 DCAELO COc1cccc(CNC(=O)C[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000028659346 395696212 /nfs/dbraw/zinc/69/62/12/395696212.db2.gz DQSKYZPNIMLMCD-OAHLLOKOSA-N 1 2 319.405 0.864 10 0 DCAELO C[C@H](CNC(=O)C(=O)Nc1cccc(F)c1)[NH+]1CCOCC1 ZINC000041600598 395738350 /nfs/dbraw/zinc/73/83/50/395738350.db2.gz GDISKCKCBXBWJH-LLVKDONJSA-N 1 2 309.341 0.601 10 0 DCAELO Cc1ccc(CCNC(=O)NC[C@@H](C)[NH+]2CCOCC2)cn1 ZINC000111452926 395808953 /nfs/dbraw/zinc/80/89/53/395808953.db2.gz FPDGBNQPZOBYFV-CQSZACIVSA-N 1 2 306.410 0.952 10 0 DCAELO COc1cccc2c1OCC(C(=O)NC[C@@H]1C[N@H+](C)CCO1)=C2 ZINC000194844801 395809416 /nfs/dbraw/zinc/80/94/16/395809416.db2.gz PIEJZAWQNPGMJR-CQSZACIVSA-N 1 2 318.373 0.918 10 0 DCAELO COc1cccc2c1OCC(C(=O)NC[C@@H]1C[N@@H+](C)CCO1)=C2 ZINC000194844801 395809420 /nfs/dbraw/zinc/80/94/20/395809420.db2.gz PIEJZAWQNPGMJR-CQSZACIVSA-N 1 2 318.373 0.918 10 0 DCAELO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cccc(-n2cncn2)c1 ZINC000115334106 395839226 /nfs/dbraw/zinc/83/92/26/395839226.db2.gz YEXXHPWKMHPSGK-ZDUSSCGKSA-N 1 2 315.377 0.718 10 0 DCAELO Cc1nn(C)c(C)c1CC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000225464169 395860894 /nfs/dbraw/zinc/86/08/94/395860894.db2.gz JMKRRZVGNIKMSM-GJZGRUSLSA-N 1 2 306.410 0.511 10 0 DCAELO Cc1nn(C)c(C)c1CC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000225464169 395860897 /nfs/dbraw/zinc/86/08/97/395860897.db2.gz JMKRRZVGNIKMSM-GJZGRUSLSA-N 1 2 306.410 0.511 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2cc3c([nH]c2=O)CCCC3)C1 ZINC000109264610 395797061 /nfs/dbraw/zinc/79/70/61/395797061.db2.gz HRNKCCDBHWVFTR-LBPRGKRZSA-N 1 2 305.378 0.314 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)c2cc3c([nH]c2=O)CCCC3)C1 ZINC000109264610 395797064 /nfs/dbraw/zinc/79/70/64/395797064.db2.gz HRNKCCDBHWVFTR-LBPRGKRZSA-N 1 2 305.378 0.314 10 0 DCAELO C[C@@H](CNC(=O)N[C@H](CO)Cc1ccccc1)[NH+]1CCOCC1 ZINC000123155571 395892013 /nfs/dbraw/zinc/89/20/13/395892013.db2.gz AWGYCJMVHJXXLP-HOCLYGCPSA-N 1 2 321.421 0.610 10 0 DCAELO Cc1cccc([C@@H](O)CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000119624388 395873088 /nfs/dbraw/zinc/87/30/88/395873088.db2.gz OCGULNUQYFDWGA-CABCVRRESA-N 1 2 307.394 0.658 10 0 DCAELO Cc1cccc([C@@H](O)CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000119624388 395873091 /nfs/dbraw/zinc/87/30/91/395873091.db2.gz OCGULNUQYFDWGA-CABCVRRESA-N 1 2 307.394 0.658 10 0 DCAELO C[C@@H]1OCC[C@H]1S(=O)(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000135510790 395940297 /nfs/dbraw/zinc/94/02/97/395940297.db2.gz QWAOACZWWYYPIS-WCQYABFASA-N 1 2 322.390 0.864 10 0 DCAELO O=S(=O)(CC1CCOCC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000246079090 395941059 /nfs/dbraw/zinc/94/10/59/395941059.db2.gz FRZXKFFFDFXARN-CQSZACIVSA-N 1 2 302.440 0.913 10 0 DCAELO O=S(=O)(CC1CCOCC1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000246079090 395941061 /nfs/dbraw/zinc/94/10/61/395941061.db2.gz FRZXKFFFDFXARN-CQSZACIVSA-N 1 2 302.440 0.913 10 0 DCAELO COCCCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000136093733 395944452 /nfs/dbraw/zinc/94/44/52/395944452.db2.gz VPNNKHJTTFQWBY-UHFFFAOYSA-N 1 2 313.423 0.960 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)C1 ZINC000246844878 395959636 /nfs/dbraw/zinc/95/96/36/395959636.db2.gz BCNBCQFPWLSHGN-FMKPAKJESA-N 1 2 311.426 0.654 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)C1 ZINC000246844878 395959640 /nfs/dbraw/zinc/95/96/40/395959640.db2.gz BCNBCQFPWLSHGN-FMKPAKJESA-N 1 2 311.426 0.654 10 0 DCAELO CCOCC[N@@H+]1CCN(S(=O)(=O)CCCOC)C[C@H]1C ZINC000247208424 395968837 /nfs/dbraw/zinc/96/88/37/395968837.db2.gz UJGIEDYPIBRVCO-CYBMUJFWSA-N 1 2 308.444 0.395 10 0 DCAELO CCOCC[N@H+]1CCN(S(=O)(=O)CCCOC)C[C@H]1C ZINC000247208424 395968839 /nfs/dbraw/zinc/96/88/39/395968839.db2.gz UJGIEDYPIBRVCO-CYBMUJFWSA-N 1 2 308.444 0.395 10 0 DCAELO C[C@@H](CS(C)(=O)=O)NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000247224434 395970023 /nfs/dbraw/zinc/97/00/23/395970023.db2.gz MLCDBQLEVQKBGI-RYUDHWBXSA-N 1 2 303.428 0.299 10 0 DCAELO C[C@@H](CS(C)(=O)=O)NC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000247224434 395970025 /nfs/dbraw/zinc/97/00/25/395970025.db2.gz MLCDBQLEVQKBGI-RYUDHWBXSA-N 1 2 303.428 0.299 10 0 DCAELO C[C@H](C[C@@H](O)c1ccco1)NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000247338965 395971461 /nfs/dbraw/zinc/97/14/61/395971461.db2.gz GQDBZTHVBCDNSH-FRRDWIJNSA-N 1 2 311.382 0.721 10 0 DCAELO C[C@H](C[C@@H](O)c1ccco1)NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000247338965 395971464 /nfs/dbraw/zinc/97/14/64/395971464.db2.gz GQDBZTHVBCDNSH-FRRDWIJNSA-N 1 2 311.382 0.721 10 0 DCAELO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)C[C@@H](O)CN1CCCC1=O ZINC000247346092 395972258 /nfs/dbraw/zinc/97/22/58/395972258.db2.gz OLDQBWBLKUUDQD-NWDGAFQWSA-N 1 2 300.399 0.632 10 0 DCAELO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)C[C@@H](O)CN1CCCC1=O ZINC000247346092 395972260 /nfs/dbraw/zinc/97/22/60/395972260.db2.gz OLDQBWBLKUUDQD-NWDGAFQWSA-N 1 2 300.399 0.632 10 0 DCAELO C[C@H](C[S@](C)=O)NC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000248508949 395988615 /nfs/dbraw/zinc/98/86/15/395988615.db2.gz YMWLLWLHYYHZNX-KDRJOKAESA-N 1 2 317.455 0.116 10 0 DCAELO C[C@H](C[S@](C)=O)NC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000248508951 395989072 /nfs/dbraw/zinc/98/90/72/395989072.db2.gz YMWLLWLHYYHZNX-PSAMWYLNSA-N 1 2 317.455 0.116 10 0 DCAELO CCC[C@@H]1C[C@@H](C(=O)NC[C@@H](O)C[NH+]2CCOCC2)CCO1 ZINC000248554495 395989513 /nfs/dbraw/zinc/98/95/13/395989513.db2.gz LGPGQDHOVPOUSB-RRFJBIMHSA-N 1 2 314.426 0.391 10 0 DCAELO Cc1cc(=O)[nH]c(CNc2nc(N3CCC[C@@H](O)C3)cc[nH+]2)n1 ZINC000065382985 395992970 /nfs/dbraw/zinc/99/29/70/395992970.db2.gz YCAGVXICOWAQID-LLVKDONJSA-N 1 2 316.365 0.442 10 0 DCAELO CN1CCC[N@H+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)CC1=O ZINC000248792098 395996900 /nfs/dbraw/zinc/99/69/00/395996900.db2.gz DNVWONTXZZGWEL-KGLIPLIRSA-N 1 2 309.410 0.321 10 0 DCAELO CN1CCC[N@@H+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)CC1=O ZINC000248792098 395996906 /nfs/dbraw/zinc/99/69/06/395996906.db2.gz DNVWONTXZZGWEL-KGLIPLIRSA-N 1 2 309.410 0.321 10 0 DCAELO Cc1ccc(O[C@@H](C)C(=O)NC[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000154158483 396032869 /nfs/dbraw/zinc/03/28/69/396032869.db2.gz VIYKMCPAYJWOKZ-GJZGRUSLSA-N 1 2 322.405 0.572 10 0 DCAELO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000068475603 396057291 /nfs/dbraw/zinc/05/72/91/396057291.db2.gz BCOPCIZQNXJUHG-NEPJUHHUSA-N 1 2 311.426 0.611 10 0 DCAELO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000068475603 396057294 /nfs/dbraw/zinc/05/72/94/396057294.db2.gz BCOPCIZQNXJUHG-NEPJUHHUSA-N 1 2 311.426 0.611 10 0 DCAELO CNC(=O)[C@H]1CCCN1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000155831644 396058636 /nfs/dbraw/zinc/05/86/36/396058636.db2.gz MNVUKCOZKUMXSW-GFCCVEGCSA-N 1 2 305.382 0.568 10 0 DCAELO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000249299862 396005190 /nfs/dbraw/zinc/00/51/90/396005190.db2.gz NVOCEZBYHNRORX-IEBDPFPHSA-N 1 2 300.305 0.719 10 0 DCAELO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000249299862 396005193 /nfs/dbraw/zinc/00/51/93/396005193.db2.gz NVOCEZBYHNRORX-IEBDPFPHSA-N 1 2 300.305 0.719 10 0 DCAELO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000250036841 396013882 /nfs/dbraw/zinc/01/38/82/396013882.db2.gz BCOPCIZQNXJUHG-NWDGAFQWSA-N 1 2 311.426 0.611 10 0 DCAELO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000250036841 396013883 /nfs/dbraw/zinc/01/38/83/396013883.db2.gz BCOPCIZQNXJUHG-NWDGAFQWSA-N 1 2 311.426 0.611 10 0 DCAELO CC[NH+]1CCN(C(=O)Cn2ncc(=O)c3ccccc32)CC1 ZINC000069902951 396094345 /nfs/dbraw/zinc/09/43/45/396094345.db2.gz OTIQPLGGVZZDDU-UHFFFAOYSA-N 1 2 300.362 0.561 10 0 DCAELO CC(=O)Nc1cc(C(=O)NC[C@H]2C[N@H+](C)CCO2)ccc1F ZINC000171286321 396112743 /nfs/dbraw/zinc/11/27/43/396112743.db2.gz ZRTWGODXDSYTKE-LBPRGKRZSA-N 1 2 309.341 0.845 10 0 DCAELO CC(=O)Nc1cc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)ccc1F ZINC000171286321 396112747 /nfs/dbraw/zinc/11/27/47/396112747.db2.gz ZRTWGODXDSYTKE-LBPRGKRZSA-N 1 2 309.341 0.845 10 0 DCAELO COC(=O)[C@@H]1C[C@@H]1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000171367603 396115416 /nfs/dbraw/zinc/11/54/16/396115416.db2.gz SRKJQWRTSMIUCR-NWDGAFQWSA-N 1 2 300.318 0.693 10 0 DCAELO CN(CC[NH+]1CCOCC1)C(=O)Cn1c2ccccc2[nH]c1=O ZINC000171416930 396116817 /nfs/dbraw/zinc/11/68/17/396116817.db2.gz BNCZFYMOGKVEOI-UHFFFAOYSA-N 1 2 318.377 0.120 10 0 DCAELO CCOC(=O)[C@H]1CCCN(c2nc3c(cnn3C)c(N)[nH+]2)C1 ZINC000278362288 396121130 /nfs/dbraw/zinc/12/11/30/396121130.db2.gz KIEAOECMLISNMI-VIFPVBQESA-N 1 2 304.354 0.725 10 0 DCAELO C[C@@H](O)c1ccc(CNC(=O)NC[C@H]2C[N@H+](C)CCO2)cc1 ZINC000171672917 396122780 /nfs/dbraw/zinc/12/27/80/396122780.db2.gz DLVHYVULJGWUQA-DOMZBBRYSA-N 1 2 307.394 0.870 10 0 DCAELO C[C@@H](O)c1ccc(CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000171672917 396122784 /nfs/dbraw/zinc/12/27/84/396122784.db2.gz DLVHYVULJGWUQA-DOMZBBRYSA-N 1 2 307.394 0.870 10 0 DCAELO C[C@@H]1CN(C(=O)NCCn2ccnc2)C[C@@H]1[NH+]1CCOCC1 ZINC000177298119 396171366 /nfs/dbraw/zinc/17/13/66/396171366.db2.gz GDWCVBQZKYKCBH-KGLIPLIRSA-N 1 2 307.398 0.245 10 0 DCAELO Cn1cc(N2CC[N@H+](C[C@@](C)(O)c3ccccc3)CC2=O)cn1 ZINC000177444656 396175714 /nfs/dbraw/zinc/17/57/14/396175714.db2.gz UHLFCAKPQOVFAJ-QGZVFWFLSA-N 1 2 314.389 0.976 10 0 DCAELO Cn1cc(N2CC[N@@H+](C[C@@](C)(O)c3ccccc3)CC2=O)cn1 ZINC000177444656 396175718 /nfs/dbraw/zinc/17/57/18/396175718.db2.gz UHLFCAKPQOVFAJ-QGZVFWFLSA-N 1 2 314.389 0.976 10 0 DCAELO Cc1nnc([C@H]2CN(C(=O)[C@@H]3CC(F)(F)C[NH2+]3)CCO2)[nH]1 ZINC000262960294 396194704 /nfs/dbraw/zinc/19/47/04/396194704.db2.gz KRVBEFZGXZXGRE-DTWKUNHWSA-N 1 2 301.297 0.010 10 0 DCAELO Cc1nc([C@H]2CN(C(=O)[C@@H]3CC(F)(F)C[NH2+]3)CCO2)n[nH]1 ZINC000262960294 396194707 /nfs/dbraw/zinc/19/47/07/396194707.db2.gz KRVBEFZGXZXGRE-DTWKUNHWSA-N 1 2 301.297 0.010 10 0 DCAELO O=C(NCc1ccc(-n2cncn2)cc1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262958646 396195002 /nfs/dbraw/zinc/19/50/02/396195002.db2.gz KKZSLYCLNFIEMA-GFCCVEGCSA-N 1 2 307.304 0.881 10 0 DCAELO Cc1cc(CN2CCN(C(=O)[C@@H]3CC(F)(F)C[NH2+]3)CC2)on1 ZINC000263104085 396201490 /nfs/dbraw/zinc/20/14/90/396201490.db2.gz ZSZBNSUQQFSLCU-LBPRGKRZSA-N 1 2 314.336 0.624 10 0 DCAELO C[C@H](NC(=O)NCCCn1ccnn1)[C@H](C)[NH+]1CCOCC1 ZINC000182726990 396253685 /nfs/dbraw/zinc/25/36/85/396253685.db2.gz RJWULWUDCDBDNG-STQMWFEESA-N 1 2 310.402 0.077 10 0 DCAELO O=C(NC[C@@H]1CCCN1c1cccnn1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263313963 396213754 /nfs/dbraw/zinc/21/37/54/396213754.db2.gz ZEKGYPMVBALXOP-WDEREUQCSA-N 1 2 311.336 0.559 10 0 DCAELO CCOC(=O)c1coc(N2CC[NH+](CCn3cncn3)CC2)n1 ZINC000077521458 396224739 /nfs/dbraw/zinc/22/47/39/396224739.db2.gz JDNCHXCQKFFFDM-UHFFFAOYSA-N 1 2 320.353 0.265 10 0 DCAELO O=C(NCc1cn2c([nH+]1)CCCC2)N[C@H]1CCCCNC1=O ZINC000263750576 396228932 /nfs/dbraw/zinc/22/89/32/396228932.db2.gz GJROJXBAHDNOES-LBPRGKRZSA-N 1 2 305.382 0.687 10 0 DCAELO OC[C@H]1C[C@@H](O)C[N@@H+]1Cc1nc(COc2ccc(F)cc2)no1 ZINC000185147474 396319723 /nfs/dbraw/zinc/31/97/23/396319723.db2.gz OPIYWITVKVBBRX-VXGBXAGGSA-N 1 2 323.324 0.715 10 0 DCAELO OC[C@H]1C[C@@H](O)C[N@H+]1Cc1nc(COc2ccc(F)cc2)no1 ZINC000185147474 396319726 /nfs/dbraw/zinc/31/97/26/396319726.db2.gz OPIYWITVKVBBRX-VXGBXAGGSA-N 1 2 323.324 0.715 10 0 DCAELO COC[C@H]([NH2+][C@@H](C)C(=O)N(C)CC(=O)NC1CC1)c1ccco1 ZINC000184546765 396298490 /nfs/dbraw/zinc/29/84/90/396298490.db2.gz OIVZFVCNXXKQOZ-AAEUAGOBSA-N 1 2 323.393 0.682 10 0 DCAELO O[C@@H](COc1cccc(-n2ccnn2)c1)C[NH+]1CCOCC1 ZINC000184754999 396304447 /nfs/dbraw/zinc/30/44/47/396304447.db2.gz ADAHCERJNIZNFK-CQSZACIVSA-N 1 2 304.350 0.339 10 0 DCAELO CCn1cc(S(=O)(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cn1 ZINC000266115126 396350739 /nfs/dbraw/zinc/35/07/39/396350739.db2.gz NPOGOHWKXLKSOT-GFCCVEGCSA-N 1 2 309.395 0.953 10 0 DCAELO CC(C)C[C@H](CO)N(C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000188365483 396381851 /nfs/dbraw/zinc/38/18/51/396381851.db2.gz IPLVQHJPXXGXGD-UONOGXRCSA-N 1 2 301.431 0.756 10 0 DCAELO C[C@@H]1CN(C(=O)c2cc(-c3cccnc3)on2)CC[N@@H+]1CCO ZINC000188772540 396385788 /nfs/dbraw/zinc/38/57/88/396385788.db2.gz OJYQUQWFBMQBBU-GFCCVEGCSA-N 1 2 316.361 0.875 10 0 DCAELO C[C@@H]1CN(C(=O)c2cc(-c3cccnc3)on2)CC[N@H+]1CCO ZINC000188772540 396385790 /nfs/dbraw/zinc/38/57/90/396385790.db2.gz OJYQUQWFBMQBBU-GFCCVEGCSA-N 1 2 316.361 0.875 10 0 DCAELO COCCN1CCCN(C(=O)[C@H]2CCCn3cc[nH+]c32)CC1=O ZINC000189059385 396390761 /nfs/dbraw/zinc/39/07/61/396390761.db2.gz BJJHYFXNPDPURY-ZDUSSCGKSA-N 1 2 320.393 0.468 10 0 DCAELO C[C@H]1C(=O)NCCC[N@H+]1CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000189293628 396392560 /nfs/dbraw/zinc/39/25/60/396392560.db2.gz AEUHHKLLAQAXEW-QWRGUYRKSA-N 1 2 321.343 0.998 10 0 DCAELO C[C@H]1C(=O)NCCC[N@@H+]1CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000189293628 396392563 /nfs/dbraw/zinc/39/25/63/396392563.db2.gz AEUHHKLLAQAXEW-QWRGUYRKSA-N 1 2 321.343 0.998 10 0 DCAELO C[C@@H]1C(=O)NCCC[N@H+]1CCn1cnc2ccccc2c1=O ZINC000189304005 396392995 /nfs/dbraw/zinc/39/29/95/396392995.db2.gz ZOPCMPQFDZEPLV-GFCCVEGCSA-N 1 2 300.362 0.607 10 0 DCAELO C[C@@H]1C(=O)NCCC[N@@H+]1CCn1cnc2ccccc2c1=O ZINC000189304005 396392996 /nfs/dbraw/zinc/39/29/96/396392996.db2.gz ZOPCMPQFDZEPLV-GFCCVEGCSA-N 1 2 300.362 0.607 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(CO)c(F)c3)C[C@@H]21 ZINC000286405552 396393157 /nfs/dbraw/zinc/39/31/57/396393157.db2.gz OATLFUKHLJFDGS-LSDHHAIUSA-N 1 2 308.353 0.863 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(CO)c(F)c3)C[C@@H]21 ZINC000286405552 396393159 /nfs/dbraw/zinc/39/31/59/396393159.db2.gz OATLFUKHLJFDGS-LSDHHAIUSA-N 1 2 308.353 0.863 10 0 DCAELO COc1ccc(CNC(=O)C[N@@H+]2CCCNC(=O)[C@H]2C)cc1 ZINC000189322157 396393481 /nfs/dbraw/zinc/39/34/81/396393481.db2.gz GYBCXGAGUALKKD-GFCCVEGCSA-N 1 2 305.378 0.522 10 0 DCAELO COc1ccc(CNC(=O)C[N@H+]2CCCNC(=O)[C@H]2C)cc1 ZINC000189322157 396393483 /nfs/dbraw/zinc/39/34/83/396393483.db2.gz GYBCXGAGUALKKD-GFCCVEGCSA-N 1 2 305.378 0.522 10 0 DCAELO CCn1cc([C@H]2CN(C(=O)NCCn3cc[nH+]c3)CCO2)cn1 ZINC000190492900 396407304 /nfs/dbraw/zinc/40/73/04/396407304.db2.gz DQQMSYADLPALKB-CQSZACIVSA-N 1 2 318.381 0.883 10 0 DCAELO COCCN1CCC[N@H+](Cc2ccc(C(=O)OC)o2)CC1=O ZINC000190789415 396411985 /nfs/dbraw/zinc/41/19/85/396411985.db2.gz KKKJQQGWTRCMNC-UHFFFAOYSA-N 1 2 310.350 0.747 10 0 DCAELO COCCN1CCC[N@@H+](Cc2ccc(C(=O)OC)o2)CC1=O ZINC000190789415 396411987 /nfs/dbraw/zinc/41/19/87/396411987.db2.gz KKKJQQGWTRCMNC-UHFFFAOYSA-N 1 2 310.350 0.747 10 0 DCAELO COCc1cccc(CNC(=O)C[N@@H+]2CCCN(C)C(=O)C2)c1 ZINC000191093854 396415244 /nfs/dbraw/zinc/41/52/44/396415244.db2.gz YUGIYQYHVJKQKP-UHFFFAOYSA-N 1 2 319.405 0.613 10 0 DCAELO COCc1cccc(CNC(=O)C[N@H+]2CCCN(C)C(=O)C2)c1 ZINC000191093854 396415245 /nfs/dbraw/zinc/41/52/45/396415245.db2.gz YUGIYQYHVJKQKP-UHFFFAOYSA-N 1 2 319.405 0.613 10 0 DCAELO C[C@H]1C(=O)NCCCN1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000191199000 396416593 /nfs/dbraw/zinc/41/65/93/396416593.db2.gz XRALUOGCULXXAS-NSHDSACASA-N 1 2 305.382 0.568 10 0 DCAELO O=C(NCCOCC(F)F)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000191634325 396422894 /nfs/dbraw/zinc/42/28/94/396422894.db2.gz XZJHALZVXDYYGX-LLVKDONJSA-N 1 2 307.341 0.384 10 0 DCAELO CNC(=O)[C@@H]1C[N@H+](Cc2ccc3c(c2)sc(=O)n3C)CCO1 ZINC000192638103 396434362 /nfs/dbraw/zinc/43/43/62/396434362.db2.gz WBKKJKRVCIEWPL-LBPRGKRZSA-N 1 2 321.402 0.547 10 0 DCAELO CNC(=O)[C@@H]1C[N@@H+](Cc2ccc3c(c2)sc(=O)n3C)CCO1 ZINC000192638103 396434366 /nfs/dbraw/zinc/43/43/66/396434366.db2.gz WBKKJKRVCIEWPL-LBPRGKRZSA-N 1 2 321.402 0.547 10 0 DCAELO Cc1ccc(N2CCC[N@@H+](Cc3nc(N(C)C)no3)CC2)nn1 ZINC000192711491 396435767 /nfs/dbraw/zinc/43/57/67/396435767.db2.gz VJLWCJZDTJOLDL-UHFFFAOYSA-N 1 2 317.397 0.946 10 0 DCAELO Cc1ccc(N2CCC[N@H+](Cc3nc(N(C)C)no3)CC2)nn1 ZINC000192711491 396435769 /nfs/dbraw/zinc/43/57/69/396435769.db2.gz VJLWCJZDTJOLDL-UHFFFAOYSA-N 1 2 317.397 0.946 10 0 DCAELO Cn1cc(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)c(C2CC2)n1 ZINC000291898972 396518631 /nfs/dbraw/zinc/51/86/31/396518631.db2.gz MIBMDEKJEDIALK-ZIAGYGMSSA-N 1 2 304.394 0.843 10 0 DCAELO Cn1cc(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)c(C2CC2)n1 ZINC000291898972 396518633 /nfs/dbraw/zinc/51/86/33/396518633.db2.gz MIBMDEKJEDIALK-ZIAGYGMSSA-N 1 2 304.394 0.843 10 0 DCAELO O=C1NCC[C@H]1[NH2+]Cc1ncc(I)s1 ZINC000594967592 396542142 /nfs/dbraw/zinc/54/21/42/396542142.db2.gz UHGRMXZCYINUDY-RXMQYKEDSA-N 1 2 323.159 0.726 10 0 DCAELO NC(=O)[C@]1(O)CCC[N@H+](Cc2cccc(Br)n2)C1 ZINC000292667396 396562126 /nfs/dbraw/zinc/56/21/26/396562126.db2.gz CCPUXNPNWKNARB-LBPRGKRZSA-N 1 2 314.183 0.656 10 0 DCAELO NC(=O)[C@]1(O)CCC[N@@H+](Cc2cccc(Br)n2)C1 ZINC000292667396 396562127 /nfs/dbraw/zinc/56/21/27/396562127.db2.gz CCPUXNPNWKNARB-LBPRGKRZSA-N 1 2 314.183 0.656 10 0 DCAELO C[C@@H]1C[C@H](CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CCO1 ZINC000374285068 396652958 /nfs/dbraw/zinc/65/29/58/396652958.db2.gz RQJWKYKERSBWPR-KFWWJZLASA-N 1 2 311.426 0.918 10 0 DCAELO C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000375109618 396712040 /nfs/dbraw/zinc/71/20/40/396712040.db2.gz FNWWBNKDQMABCF-NHYWBVRUSA-N 1 2 313.398 0.491 10 0 DCAELO C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000375109618 396712044 /nfs/dbraw/zinc/71/20/44/396712044.db2.gz FNWWBNKDQMABCF-NHYWBVRUSA-N 1 2 313.398 0.491 10 0 DCAELO COC(=O)C1CCN(C(=O)[C@H](C)[N@@H+]2CCO[C@@H](C3CC3)C2)CC1 ZINC000375346069 396730712 /nfs/dbraw/zinc/73/07/12/396730712.db2.gz XFIVANVYIHHFKB-SWLSCSKDSA-N 1 2 324.421 0.897 10 0 DCAELO COC(=O)C1CCN(C(=O)[C@H](C)[N@H+]2CCO[C@@H](C3CC3)C2)CC1 ZINC000375346069 396730715 /nfs/dbraw/zinc/73/07/15/396730715.db2.gz XFIVANVYIHHFKB-SWLSCSKDSA-N 1 2 324.421 0.897 10 0 DCAELO CN1CCN(C(=O)Nc2ccncc2F)C[C@@H]1c1[nH]cc[nH+]1 ZINC000328626952 396825044 /nfs/dbraw/zinc/82/50/44/396825044.db2.gz MGBIHUCRDHEQFC-GFCCVEGCSA-N 1 2 304.329 0.886 10 0 DCAELO O=C(C[N@H+]1CCSC[C@@H]1CO)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000329672735 396848086 /nfs/dbraw/zinc/84/80/86/396848086.db2.gz URTYUYGFKOXIPM-MELADBBJSA-N 1 2 314.451 0.566 10 0 DCAELO O=C(C[N@@H+]1CCSC[C@@H]1CO)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000329672735 396848090 /nfs/dbraw/zinc/84/80/90/396848090.db2.gz URTYUYGFKOXIPM-MELADBBJSA-N 1 2 314.451 0.566 10 0 DCAELO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1C[C@H](C)O[C@H](C(N)=O)C1 ZINC000625737338 396990863 /nfs/dbraw/zinc/99/08/63/396990863.db2.gz ZTAVCLVCLPIMAN-NDKCEZKHSA-N 1 2 311.426 0.454 10 0 DCAELO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1C[C@H](C)O[C@H](C(N)=O)C1 ZINC000625737338 396990869 /nfs/dbraw/zinc/99/08/69/396990869.db2.gz ZTAVCLVCLPIMAN-NDKCEZKHSA-N 1 2 311.426 0.454 10 0 DCAELO O=S(=O)(c1ccccc1)N1CC[NH+](CC2(O)CCC2)CC1 ZINC000407950470 397333500 /nfs/dbraw/zinc/33/35/00/397333500.db2.gz HLRFHZAEKLIMDT-UHFFFAOYSA-N 1 2 310.419 0.908 10 0 DCAELO Cc1[nH]ccc1C(=O)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000370189078 397453920 /nfs/dbraw/zinc/45/39/20/397453920.db2.gz NAJUEJZAVVBUES-AWEZNQCLSA-N 1 2 304.394 0.750 10 0 DCAELO Cn1cc[nH+]c1[C@@H]1CCCN1C(=O)C1=NN(CCO)C(=O)CC1 ZINC000370357827 397475507 /nfs/dbraw/zinc/47/55/07/397475507.db2.gz MMRYBGNRBYNRRK-LBPRGKRZSA-N 1 2 319.365 0.054 10 0 DCAELO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CCNC(=O)CC1 ZINC000054257833 158020115 /nfs/dbraw/zinc/02/01/15/158020115.db2.gz QPOXNVZADXVMMX-LLVKDONJSA-N 1 2 310.398 0.355 10 0 DCAELO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CCNC(=O)CC1 ZINC000054257833 158020116 /nfs/dbraw/zinc/02/01/16/158020116.db2.gz QPOXNVZADXVMMX-LLVKDONJSA-N 1 2 310.398 0.355 10 0 DCAELO Cc1nnc([C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)c2ccccc2)[nH]1 ZINC000081031976 158083197 /nfs/dbraw/zinc/08/31/97/158083197.db2.gz OJQJATRBNKIDNB-UONOGXRCSA-N 1 2 315.377 0.649 10 0 DCAELO Cc1nnc([C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)c2ccccc2)[nH]1 ZINC000081031976 158083198 /nfs/dbraw/zinc/08/31/98/158083198.db2.gz OJQJATRBNKIDNB-UONOGXRCSA-N 1 2 315.377 0.649 10 0 DCAELO Cc1nc([C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)c2ccccc2)n[nH]1 ZINC000081031976 158083202 /nfs/dbraw/zinc/08/32/02/158083202.db2.gz OJQJATRBNKIDNB-UONOGXRCSA-N 1 2 315.377 0.649 10 0 DCAELO Cc1nc([C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)c2ccccc2)n[nH]1 ZINC000081031976 158083205 /nfs/dbraw/zinc/08/32/05/158083205.db2.gz OJQJATRBNKIDNB-UONOGXRCSA-N 1 2 315.377 0.649 10 0 DCAELO COc1cc(F)ccc1N1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC000115550749 158163381 /nfs/dbraw/zinc/16/33/81/158163381.db2.gz WCHJLZVYFYVPQZ-UHFFFAOYSA-N 1 2 310.329 0.151 10 0 DCAELO COCC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(C)on2)C[C@@H]1C ZINC000117285847 158169606 /nfs/dbraw/zinc/16/96/06/158169606.db2.gz WBBKAFLFZCJXPJ-JTQLQIEISA-N 1 2 310.354 0.101 10 0 DCAELO COCC[N@H+]1CCN(C(=O)C(=O)Nc2cc(C)on2)C[C@@H]1C ZINC000117285847 158169608 /nfs/dbraw/zinc/16/96/08/158169608.db2.gz WBBKAFLFZCJXPJ-JTQLQIEISA-N 1 2 310.354 0.101 10 0 DCAELO CC[C@@H]1CN(S(=O)(=O)N2CCCCC2)CC[N@@H+]1CCOC ZINC000117372063 158171337 /nfs/dbraw/zinc/17/13/37/158171337.db2.gz OKZJKDQWRWLUKJ-CQSZACIVSA-N 1 2 319.471 0.760 10 0 DCAELO CC[C@@H]1CN(S(=O)(=O)N2CCCCC2)CC[N@H+]1CCOC ZINC000117372063 158171341 /nfs/dbraw/zinc/17/13/41/158171341.db2.gz OKZJKDQWRWLUKJ-CQSZACIVSA-N 1 2 319.471 0.760 10 0 DCAELO Cc1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCO2)c(F)c1 ZINC000118115854 158176078 /nfs/dbraw/zinc/17/60/78/158176078.db2.gz SVXPTLUOGLPKHK-NSHDSACASA-N 1 2 309.341 0.519 10 0 DCAELO Cc1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCO2)c(F)c1 ZINC000118115854 158176079 /nfs/dbraw/zinc/17/60/79/158176079.db2.gz SVXPTLUOGLPKHK-NSHDSACASA-N 1 2 309.341 0.519 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)N(C)Cc2[nH+]ccn2C)C[C@H](C)O1 ZINC000119309316 158186014 /nfs/dbraw/zinc/18/60/14/158186014.db2.gz OGINISCMZTTWLS-PHIMTYICSA-N 1 2 302.400 0.206 10 0 DCAELO CNS(=O)(=O)c1cc(NC(=O)Cn2cc[nH+]c2)ccc1C ZINC000122523668 158221850 /nfs/dbraw/zinc/22/18/50/158221850.db2.gz VZUHYDXOKWZQSS-UHFFFAOYSA-N 1 2 308.363 0.738 10 0 DCAELO CCCCN(C)S(=O)(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000123610799 158231560 /nfs/dbraw/zinc/23/15/60/158231560.db2.gz 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O=C([C@H]1COCC[N@@H+]1CC1CCC1)N1C[C@@H]2COC[C@H](C1)O2 ZINC000328669656 159019374 /nfs/dbraw/zinc/01/93/74/159019374.db2.gz FXBXFISAOZIYHU-QLFBSQMISA-N 1 2 310.394 0.114 10 0 DCAELO O=C([C@H]1COCC[N@H+]1CC1CCC1)N1C[C@@H]2COC[C@H](C1)O2 ZINC000328669656 159019375 /nfs/dbraw/zinc/01/93/75/159019375.db2.gz FXBXFISAOZIYHU-QLFBSQMISA-N 1 2 310.394 0.114 10 0 DCAELO O=C(C[C@@H]1NC(=O)NC1=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000328735715 159025599 /nfs/dbraw/zinc/02/55/99/159025599.db2.gz ZEVTUSWWOVKQNW-RYUDHWBXSA-N 1 2 320.324 0.941 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)s3)C[C@@H]21 ZINC000328867532 159036023 /nfs/dbraw/zinc/03/60/23/159036023.db2.gz GZTKFQUBCQOUNA-VHSXEESVSA-N 1 2 309.391 0.392 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)s3)C[C@@H]21 ZINC000328867532 159036025 /nfs/dbraw/zinc/03/60/25/159036025.db2.gz GZTKFQUBCQOUNA-VHSXEESVSA-N 1 2 309.391 0.392 10 0 DCAELO CC(=O)N1CCC[C@H](C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)C1 ZINC000328903373 159039269 /nfs/dbraw/zinc/03/92/69/159039269.db2.gz HUQUFXKFMJYFNE-RRFJBIMHSA-N 1 2 309.410 0.176 10 0 DCAELO CC(=O)N1CCC[C@H](C(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)C1 ZINC000328903373 159039270 /nfs/dbraw/zinc/03/92/70/159039270.db2.gz HUQUFXKFMJYFNE-RRFJBIMHSA-N 1 2 309.410 0.176 10 0 DCAELO Cc1nccc(CCC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000329210662 159073338 /nfs/dbraw/zinc/07/33/38/159073338.db2.gz ZSEVQPHQKALVTL-LSDHHAIUSA-N 1 2 304.394 0.649 10 0 DCAELO Cc1nccc(CCC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC000329210662 159073341 /nfs/dbraw/zinc/07/33/41/159073341.db2.gz ZSEVQPHQKALVTL-LSDHHAIUSA-N 1 2 304.394 0.649 10 0 DCAELO O=C(N1CCc2cncnc2C1)C1([NH+]2CCOCC2)CCC1 ZINC000329321093 159082461 /nfs/dbraw/zinc/08/24/61/159082461.db2.gz GNOIXRWNGRZLCQ-UHFFFAOYSA-N 1 2 302.378 0.616 10 0 DCAELO O=C(CN1CCn2cc[nH+]c2C1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000329350871 159084890 /nfs/dbraw/zinc/08/48/90/159084890.db2.gz TXXFBBVHXSROIK-KBPBESRZSA-N 1 2 304.394 0.869 10 0 DCAELO CCN1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1=O ZINC000329405393 159089760 /nfs/dbraw/zinc/08/97/60/159089760.db2.gz ZDROCPXNSFQFNH-AWEZNQCLSA-N 1 2 309.410 0.178 10 0 DCAELO CCN1CCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1=O ZINC000329405393 159089761 /nfs/dbraw/zinc/08/97/61/159089761.db2.gz ZDROCPXNSFQFNH-AWEZNQCLSA-N 1 2 309.410 0.178 10 0 DCAELO C[C@H](C(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1)[NH+]1CCOCC1 ZINC000329510056 159097676 /nfs/dbraw/zinc/09/76/76/159097676.db2.gz XIQUHOQBSYMTTK-HUUCEWRRSA-N 1 2 323.437 0.568 10 0 DCAELO O=S(=O)(NCC[N@H+]1C[C@@H](F)C[C@H]1CO)c1ccccc1 ZINC000330576810 159196516 /nfs/dbraw/zinc/19/65/16/159196516.db2.gz RHQIWYSOCYTXPY-RYUDHWBXSA-N 1 2 302.371 0.370 10 0 DCAELO O=S(=O)(NCC[N@@H+]1C[C@@H](F)C[C@H]1CO)c1ccccc1 ZINC000330576810 159196519 /nfs/dbraw/zinc/19/65/19/159196519.db2.gz RHQIWYSOCYTXPY-RYUDHWBXSA-N 1 2 302.371 0.370 10 0 DCAELO CCS(=O)(=O)NCC[N@@H+]1CCCC[C@H]1c1ccnn1C ZINC000366864983 159293649 /nfs/dbraw/zinc/29/36/49/159293649.db2.gz BGEJPIUGHOAFSI-ZDUSSCGKSA-N 1 2 300.428 0.886 10 0 DCAELO CCS(=O)(=O)NCC[N@H+]1CCCC[C@H]1c1ccnn1C ZINC000366864983 159293652 /nfs/dbraw/zinc/29/36/52/159293652.db2.gz BGEJPIUGHOAFSI-ZDUSSCGKSA-N 1 2 300.428 0.886 10 0 DCAELO CC(=O)N1CCC[C@](O)(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000408052340 160023391 /nfs/dbraw/zinc/02/33/91/160023391.db2.gz UEFXDRKQNZPHSD-CZUORRHYSA-N 1 2 320.393 0.489 10 0 DCAELO COC(=O)c1cc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)c[nH]1 ZINC000408075544 160029966 /nfs/dbraw/zinc/02/99/66/160029966.db2.gz YOXXZDUAZJOQDD-STQMWFEESA-N 1 2 307.350 0.346 10 0 DCAELO COC(=O)c1cc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)c[nH]1 ZINC000408075544 160029968 /nfs/dbraw/zinc/02/99/68/160029968.db2.gz YOXXZDUAZJOQDD-STQMWFEESA-N 1 2 307.350 0.346 10 0 DCAELO C[C@H]1CC(C(=O)N2CC[NH+](CCn3cncn3)CC2)C[C@H](C)O1 ZINC000408077608 160030715 /nfs/dbraw/zinc/03/07/15/160030715.db2.gz ZUIJXQACVAIKOC-KBPBESRZSA-N 1 2 321.425 0.626 10 0 DCAELO C[C@@H]1C[N@H+](C)CCN1C(=O)CCS(=O)(=O)C1CCCC1 ZINC000408113166 160038695 /nfs/dbraw/zinc/03/86/95/160038695.db2.gz QNVBLXCAYDOMKW-GFCCVEGCSA-N 1 2 302.440 0.896 10 0 DCAELO C[C@@H]1C[N@@H+](C)CCN1C(=O)CCS(=O)(=O)C1CCCC1 ZINC000408113166 160038698 /nfs/dbraw/zinc/03/86/98/160038698.db2.gz QNVBLXCAYDOMKW-GFCCVEGCSA-N 1 2 302.440 0.896 10 0 DCAELO CC(C)CN(C)S(=O)(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000408132089 160044073 /nfs/dbraw/zinc/04/40/73/160044073.db2.gz JGOMYVYBSNKTGP-UONOGXRCSA-N 1 2 319.471 0.472 10 0 DCAELO CC[C@H]1CN(S(=O)(=O)N2CC[C@@H](C)C2)CC[N@@H+]1CCOC ZINC000408132785 160044417 /nfs/dbraw/zinc/04/44/17/160044417.db2.gz LNFLFGNGBBUSNX-KGLIPLIRSA-N 1 2 319.471 0.616 10 0 DCAELO CC[C@H]1CN(S(=O)(=O)N2CC[C@@H](C)C2)CC[N@H+]1CCOC ZINC000408132785 160044418 /nfs/dbraw/zinc/04/44/18/160044418.db2.gz LNFLFGNGBBUSNX-KGLIPLIRSA-N 1 2 319.471 0.616 10 0 DCAELO CS(=O)(=O)CCCNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000408146190 160047844 /nfs/dbraw/zinc/04/78/44/160047844.db2.gz YHVCIXOYTJOPFP-GFCCVEGCSA-N 1 2 303.428 0.301 10 0 DCAELO CS(=O)(=O)CCCNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000408146190 160047845 /nfs/dbraw/zinc/04/78/45/160047845.db2.gz YHVCIXOYTJOPFP-GFCCVEGCSA-N 1 2 303.428 0.301 10 0 DCAELO O=C([C@H]1CC(=O)N(CC(F)(F)F)C1)N1CCn2cc[nH+]c2C1 ZINC000408163135 160050463 /nfs/dbraw/zinc/05/04/63/160050463.db2.gz BPJCVDHVCOZIBQ-VIFPVBQESA-N 1 2 316.283 0.636 10 0 DCAELO CN(C)S(=O)(=O)CC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000408186732 160055039 /nfs/dbraw/zinc/05/50/39/160055039.db2.gz WONGOOJNERLDJN-JTQLQIEISA-N 1 2 300.384 0.355 10 0 DCAELO C[C@H]1CCCN(C(=O)C[N@H+](C)C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000408215839 160061769 /nfs/dbraw/zinc/06/17/69/160061769.db2.gz ANXUIJGQRMBPAX-STQMWFEESA-N 1 2 302.440 0.611 10 0 DCAELO C[C@H]1CCCN(C(=O)C[N@@H+](C)C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000408215839 160061770 /nfs/dbraw/zinc/06/17/70/160061770.db2.gz ANXUIJGQRMBPAX-STQMWFEESA-N 1 2 302.440 0.611 10 0 DCAELO C[C@H](O)C1CCN(S(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000408241184 160067207 /nfs/dbraw/zinc/06/72/07/160067207.db2.gz IATYBJJLYUNCHW-ZDUSSCGKSA-N 1 2 320.455 0.131 10 0 DCAELO CC(=O)N1CC[C@H](NC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000408293164 160078317 /nfs/dbraw/zinc/07/83/17/160078317.db2.gz WZANFKDOVIYDQC-AWEZNQCLSA-N 1 2 320.393 0.728 10 0 DCAELO CC(=O)N1CC[C@H](NC(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000408303933 160080596 /nfs/dbraw/zinc/08/05/96/160080596.db2.gz USJDNUDEYFVWMA-ZDUSSCGKSA-N 1 2 305.382 0.850 10 0 DCAELO CSc1c(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)cnn1C ZINC000408330756 160086245 /nfs/dbraw/zinc/08/62/45/160086245.db2.gz TWDKPGWFSCTABD-WCQYABFASA-N 1 2 324.450 0.935 10 0 DCAELO CCOC[C@H](C)CS(=O)(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000408460816 160113523 /nfs/dbraw/zinc/11/35/23/160113523.db2.gz RLPAOEAOBYYBCW-IHRRRGAJSA-N 1 2 320.455 0.394 10 0 DCAELO CCOC[C@H](C)CS(=O)(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000408460816 160113525 /nfs/dbraw/zinc/11/35/25/160113525.db2.gz RLPAOEAOBYYBCW-IHRRRGAJSA-N 1 2 320.455 0.394 10 0 DCAELO NS(=O)(=O)N1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000078682921 286922569 /nfs/dbraw/zinc/92/25/69/286922569.db2.gz GLHZACJKBFTOPW-UHFFFAOYSA-N 1 2 306.391 0.556 10 0 DCAELO COc1cc[nH+]cc1NC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000131436944 287000372 /nfs/dbraw/zinc/00/03/72/287000372.db2.gz XXIZGAXSKQYPTH-UHFFFAOYSA-N 1 2 314.305 0.172 10 0 DCAELO C[C@H](C(=O)NC(=O)Nc1ccccc1)[N@@H+]1CCNC(=O)CC1 ZINC000192568488 287059127 /nfs/dbraw/zinc/05/91/27/287059127.db2.gz KZWGAIBTYNAXIP-LLVKDONJSA-N 1 2 304.350 0.545 10 0 DCAELO C[C@H](C(=O)NC(=O)Nc1ccccc1)[N@H+]1CCNC(=O)CC1 ZINC000192568488 287059129 /nfs/dbraw/zinc/05/91/29/287059129.db2.gz KZWGAIBTYNAXIP-LLVKDONJSA-N 1 2 304.350 0.545 10 0 DCAELO Cc1cc(S(=O)(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c(C)o1 ZINC000249495938 287112069 /nfs/dbraw/zinc/11/20/69/287112069.db2.gz ZWFMLZVWHGFGFZ-JTQLQIEISA-N 1 2 302.396 0.584 10 0 DCAELO Cc1cc(S(=O)(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c(C)o1 ZINC000249495938 287112072 /nfs/dbraw/zinc/11/20/72/287112072.db2.gz ZWFMLZVWHGFGFZ-JTQLQIEISA-N 1 2 302.396 0.584 10 0 DCAELO C[C@@H]1C(=O)NCCC[N@H+]1CC(=O)N1CCc2sccc2C1 ZINC000189281128 287179711 /nfs/dbraw/zinc/17/97/11/287179711.db2.gz VZDYJUNPQKIITH-LLVKDONJSA-N 1 2 307.419 0.843 10 0 DCAELO C[C@@H]1C(=O)NCCC[N@@H+]1CC(=O)N1CCc2sccc2C1 ZINC000189281128 287179713 /nfs/dbraw/zinc/17/97/13/287179713.db2.gz VZDYJUNPQKIITH-LLVKDONJSA-N 1 2 307.419 0.843 10 0 DCAELO COCCOCC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000111663563 292570460 /nfs/dbraw/zinc/57/04/60/292570460.db2.gz MIWZSVZXAUBIMM-CQSZACIVSA-N 1 2 300.399 0.363 10 0 DCAELO CC[N@H+](Cc1nnc(C)o1)[C@@H]1CN(C(=O)[C@H]2CC2(C)C)C[C@H]1O ZINC000333319979 415610973 /nfs/dbraw/zinc/61/09/73/415610973.db2.gz WTOWXURXBXTLKD-JHJVBQTASA-N 1 2 322.409 0.818 10 0 DCAELO CC[N@@H+](Cc1nnc(C)o1)[C@@H]1CN(C(=O)[C@H]2CC2(C)C)C[C@H]1O ZINC000333319979 415610976 /nfs/dbraw/zinc/61/09/76/415610976.db2.gz WTOWXURXBXTLKD-JHJVBQTASA-N 1 2 322.409 0.818 10 0 DCAELO Cc1noc(C)c1CNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000285405349 415616279 /nfs/dbraw/zinc/61/62/79/415616279.db2.gz MJZDCYNHNQNBRQ-KGLIPLIRSA-N 1 2 308.382 0.906 10 0 DCAELO Cc1noc(C)c1CNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000285405349 415616285 /nfs/dbraw/zinc/61/62/85/415616285.db2.gz MJZDCYNHNQNBRQ-KGLIPLIRSA-N 1 2 308.382 0.906 10 0 DCAELO CC[N@H+](CC(=O)N1CCO[C@@H]2CCCC[C@H]21)[C@@H]1CCNC1=O ZINC000333359977 415621454 /nfs/dbraw/zinc/62/14/54/415621454.db2.gz XFTCZAHZXBQHFP-MGPQQGTHSA-N 1 2 309.410 0.367 10 0 DCAELO CC[N@@H+](CC(=O)N1CCO[C@@H]2CCCC[C@H]21)[C@@H]1CCNC1=O ZINC000333359977 415621461 /nfs/dbraw/zinc/62/14/61/415621461.db2.gz XFTCZAHZXBQHFP-MGPQQGTHSA-N 1 2 309.410 0.367 10 0 DCAELO CC[N@H+](CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)[C@@H]1CCNC1=O ZINC000333359974 415622629 /nfs/dbraw/zinc/62/26/29/415622629.db2.gz XFTCZAHZXBQHFP-BFHYXJOUSA-N 1 2 309.410 0.367 10 0 DCAELO CC[N@@H+](CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)[C@@H]1CCNC1=O ZINC000333359974 415622634 /nfs/dbraw/zinc/62/26/34/415622634.db2.gz XFTCZAHZXBQHFP-BFHYXJOUSA-N 1 2 309.410 0.367 10 0 DCAELO CO[C@H](C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1cnn(C)c1 ZINC000282868304 415584064 /nfs/dbraw/zinc/58/40/64/415584064.db2.gz UVIBYUIXCRQFQR-KGLIPLIRSA-N 1 2 303.366 0.995 10 0 DCAELO Cc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000333273383 415598755 /nfs/dbraw/zinc/59/87/55/415598755.db2.gz NZTVBALKXNXGIT-VXGBXAGGSA-N 1 2 308.386 0.051 10 0 DCAELO Cc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000333273383 415598762 /nfs/dbraw/zinc/59/87/62/415598762.db2.gz NZTVBALKXNXGIT-VXGBXAGGSA-N 1 2 308.386 0.051 10 0 DCAELO C[C@H](C[NH+]1CCN(C)CC1)n1c(=O)[nH]c2ccccc2c1=O ZINC000106929532 415655561 /nfs/dbraw/zinc/65/55/61/415655561.db2.gz BMNBWZBWUNJPKC-GFCCVEGCSA-N 1 2 302.378 0.498 10 0 DCAELO Cc1noc(CCNc2cc(N3CCC[C@@H]3CO)nc[nH+]2)n1 ZINC000112077864 415704256 /nfs/dbraw/zinc/70/42/56/415704256.db2.gz VRBXKKXOFXZLEA-LLVKDONJSA-N 1 2 304.354 0.784 10 0 DCAELO Cc1noc(CCNc2cc(N3CCC[C@@H]3CO)[nH+]cn2)n1 ZINC000112077864 415704264 /nfs/dbraw/zinc/70/42/64/415704264.db2.gz VRBXKKXOFXZLEA-LLVKDONJSA-N 1 2 304.354 0.784 10 0 DCAELO COCC[N@H+](C)CCNC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000123027290 415838220 /nfs/dbraw/zinc/83/82/20/415838220.db2.gz XAWAOYHKMNAWEB-UHFFFAOYSA-N 1 2 320.436 0.460 10 0 DCAELO COCC[N@@H+](C)CCNC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000123027290 415838225 /nfs/dbraw/zinc/83/82/25/415838225.db2.gz XAWAOYHKMNAWEB-UHFFFAOYSA-N 1 2 320.436 0.460 10 0 DCAELO COc1c(C[N@@H+]2CCO[C@H](Cn3cccn3)C2)c(C)nn1C ZINC000122261851 415828382 /nfs/dbraw/zinc/82/83/82/415828382.db2.gz WHRMCQHYZKAWJC-ZDUSSCGKSA-N 1 2 305.382 0.835 10 0 DCAELO COc1c(C[N@H+]2CCO[C@H](Cn3cccn3)C2)c(C)nn1C ZINC000122261851 415828389 /nfs/dbraw/zinc/82/83/89/415828389.db2.gz WHRMCQHYZKAWJC-ZDUSSCGKSA-N 1 2 305.382 0.835 10 0 DCAELO CCOC(=O)CN(C[C@@H](O)C[NH+]1CCOCC1)C(C)(C)C ZINC000130791281 415924764 /nfs/dbraw/zinc/92/47/64/415924764.db2.gz UDAWYCCJCYIKQZ-ZDUSSCGKSA-N 1 2 302.415 0.343 10 0 DCAELO CCNC(=O)C[N@H+](CC)[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000133500558 415946078 /nfs/dbraw/zinc/94/60/78/415946078.db2.gz GFLZDEGCPWILAM-LBPRGKRZSA-N 1 2 307.398 0.292 10 0 DCAELO CCNC(=O)C[N@@H+](CC)[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000133500558 415946083 /nfs/dbraw/zinc/94/60/83/415946083.db2.gz GFLZDEGCPWILAM-LBPRGKRZSA-N 1 2 307.398 0.292 10 0 DCAELO C[C@@H]1OCCN(Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]1C(N)=O ZINC000344864970 415999061 /nfs/dbraw/zinc/99/90/61/415999061.db2.gz MLZXQTSGDOTDNC-SWLSCSKDSA-N 1 2 300.362 0.947 10 0 DCAELO CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(Cc2ccon2)CC1 ZINC000173629065 416061970 /nfs/dbraw/zinc/06/19/70/416061970.db2.gz VPLLNYWGJJKBBA-LLVKDONJSA-N 1 2 309.370 0.026 10 0 DCAELO Cc1nn(C)cc1[C@@H](C)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173801547 416065473 /nfs/dbraw/zinc/06/54/73/416065473.db2.gz HUFSNSPJLYNSRS-TZMCWYRMSA-N 1 2 321.425 0.906 10 0 DCAELO NC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CCOC3(CCCCC3)C2)C1 ZINC000173845701 416065672 /nfs/dbraw/zinc/06/56/72/416065672.db2.gz WZWWLDBCGNZYAL-CQSZACIVSA-N 1 2 323.437 0.745 10 0 DCAELO NC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CCOC3(CCCCC3)C2)C1 ZINC000173845701 416065675 /nfs/dbraw/zinc/06/56/75/416065675.db2.gz WZWWLDBCGNZYAL-CQSZACIVSA-N 1 2 323.437 0.745 10 0 DCAELO CCc1nc(C2([NH2+]C[C@H](O)CN3CCCC3=O)CCCC2)no1 ZINC000174236578 416076498 /nfs/dbraw/zinc/07/64/98/416076498.db2.gz UHMYDPWUNQRVKA-LBPRGKRZSA-N 1 2 322.409 0.974 10 0 DCAELO CCS(=O)(=O)C[C@@H](C)NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174907478 416091023 /nfs/dbraw/zinc/09/10/23/416091023.db2.gz LUKAXOUMXHEXCQ-OLZOCXBDSA-N 1 2 315.439 0.465 10 0 DCAELO Cc1cc(CN2CC[NH+](C[C@H](C)CS(C)(=O)=O)CC2)no1 ZINC000176954559 416138392 /nfs/dbraw/zinc/13/83/92/416138392.db2.gz QLZPCWMUCLGMBL-LBPRGKRZSA-N 1 2 315.439 0.781 10 0 DCAELO O=C(CNC(=O)c1ccccn1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177754211 416151542 /nfs/dbraw/zinc/15/15/42/416151542.db2.gz UNTHWJULXXLHQP-CYBMUJFWSA-N 1 2 313.361 0.699 10 0 DCAELO CNC(=O)[C@H](NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C(C)C ZINC000178810024 416174672 /nfs/dbraw/zinc/17/46/72/416174672.db2.gz TZHRLTZCNRJIST-GXTWGEPZSA-N 1 2 319.409 0.730 10 0 DCAELO Cc1ccc(NC(=O)C(=O)NC[C@H]2C[NH+]3CCN2CC3)c(F)c1 ZINC000178957478 416179212 /nfs/dbraw/zinc/17/92/12/416179212.db2.gz XAXATSDEHGGEGJ-LBPRGKRZSA-N 1 2 320.368 0.189 10 0 DCAELO C[C@H](Oc1cccc(CO)c1)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000179185053 416184841 /nfs/dbraw/zinc/18/48/41/416184841.db2.gz MRTUJTFFUZCIIM-DZGCQCFKSA-N 1 2 319.405 0.062 10 0 DCAELO COc1n[nH]c(NC(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@H](C)C2)n1 ZINC000179362623 416186782 /nfs/dbraw/zinc/18/67/82/416186782.db2.gz IPDRBHBYQWWGBM-MXWKQRLJSA-N 1 2 311.386 0.886 10 0 DCAELO COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1CCCNC(=O)C(F)(F)F ZINC000180648241 416199488 /nfs/dbraw/zinc/19/94/88/416199488.db2.gz QNXHDKFZKIOSRN-IUCAKERBSA-N 1 2 312.288 0.317 10 0 DCAELO CC1=CC[N@H+](CCNC(=O)N(C)[C@@H](C)CS(C)(=O)=O)CC1 ZINC000358194149 416208709 /nfs/dbraw/zinc/20/87/09/416208709.db2.gz RORUOXHPIGSAGH-ZDUSSCGKSA-N 1 2 317.455 0.713 10 0 DCAELO CC1=CC[N@@H+](CCNC(=O)N(C)[C@@H](C)CS(C)(=O)=O)CC1 ZINC000358194149 416208712 /nfs/dbraw/zinc/20/87/12/416208712.db2.gz RORUOXHPIGSAGH-ZDUSSCGKSA-N 1 2 317.455 0.713 10 0 DCAELO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC000178283763 416160669 /nfs/dbraw/zinc/16/06/69/416160669.db2.gz UCUPHSAVISZIIU-LLVKDONJSA-N 1 2 318.377 0.254 10 0 DCAELO CCc1ccccc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000190039489 416273234 /nfs/dbraw/zinc/27/32/34/416273234.db2.gz VSENHICBJAASDA-CYBMUJFWSA-N 1 2 319.405 0.713 10 0 DCAELO CCc1ccccc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000190039489 416273235 /nfs/dbraw/zinc/27/32/35/416273235.db2.gz VSENHICBJAASDA-CYBMUJFWSA-N 1 2 319.405 0.713 10 0 DCAELO Cc1c(F)cccc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000190037489 416274012 /nfs/dbraw/zinc/27/40/12/416274012.db2.gz SZBGHHBFKCGQPK-NSHDSACASA-N 1 2 323.368 0.598 10 0 DCAELO Cc1c(F)cccc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000190037489 416274015 /nfs/dbraw/zinc/27/40/15/416274015.db2.gz SZBGHHBFKCGQPK-NSHDSACASA-N 1 2 323.368 0.598 10 0 DCAELO O=S(=O)(CC[NH2+]Cc1cocn1)NC[C@H]1CCCCO1 ZINC000192311710 416303669 /nfs/dbraw/zinc/30/36/69/416303669.db2.gz FHFUHGARFIIJHR-GFCCVEGCSA-N 1 2 303.384 0.253 10 0 DCAELO CC(C)Cn1cc[nH+]c1CNC(=O)N(C[C@@H](C)O)[C@@H](C)CO ZINC000190598060 416281859 /nfs/dbraw/zinc/28/18/59/416281859.db2.gz YBBVONJONKWQTB-QWHCGFSZSA-N 1 2 312.414 0.812 10 0 DCAELO COCC[C@H](C)NC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000358856733 416285691 /nfs/dbraw/zinc/28/56/91/416285691.db2.gz FLZXYAAPVHIDPX-NSHDSACASA-N 1 2 308.382 0.657 10 0 DCAELO O=C(NCc1ccccc1OCCO)N1CCn2c[nH+]cc2C1 ZINC000358943654 416295179 /nfs/dbraw/zinc/29/51/79/416295179.db2.gz NDTRVKARHCPAQU-UHFFFAOYSA-N 1 2 316.361 0.980 10 0 DCAELO COC(=O)[C@@H](C1CC1)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000359587688 416352020 /nfs/dbraw/zinc/35/20/20/416352020.db2.gz FUZCROLFFWTEHF-SMDDNHRTSA-N 1 2 309.410 0.223 10 0 DCAELO Cc1cc(NC(=O)CN2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)on1 ZINC000246404477 416331854 /nfs/dbraw/zinc/33/18/54/416331854.db2.gz JSACFHDYYHAXPK-AAEUAGOBSA-N 1 2 308.382 0.574 10 0 DCAELO Cc1cc(NC(=O)C[N@@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)on1 ZINC000246404477 416331855 /nfs/dbraw/zinc/33/18/55/416331855.db2.gz JSACFHDYYHAXPK-AAEUAGOBSA-N 1 2 308.382 0.574 10 0 DCAELO Cc1cc(NC(=O)C[N@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)on1 ZINC000246404477 416331856 /nfs/dbraw/zinc/33/18/56/416331856.db2.gz JSACFHDYYHAXPK-AAEUAGOBSA-N 1 2 308.382 0.574 10 0 DCAELO CCN1C[C@H](C(=O)N2CCN(C)[C@H](c3[nH]cc[nH+]3)C2)CC1=O ZINC000583621038 416480208 /nfs/dbraw/zinc/48/02/08/416480208.db2.gz OWRVDDFLDDSDCE-NEPJUHHUSA-N 1 2 305.382 0.093 10 0 DCAELO Cc1cnc(CN2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)nc1 ZINC000534809033 416508189 /nfs/dbraw/zinc/50/81/89/416508189.db2.gz OBFDHVVAUIZKRF-ZDUSSCGKSA-N 1 2 303.410 0.570 10 0 DCAELO CN1CCOC[C@H]1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000538829486 416573298 /nfs/dbraw/zinc/57/32/98/416573298.db2.gz SSVIAFFPUAQINC-INIZCTEOSA-N 1 2 314.389 0.878 10 0 DCAELO C[N@@H+]1CCO[C@H](CS(=O)(=O)N2CCC[C@@H]2C2CCC2)C1 ZINC000631897292 416782772 /nfs/dbraw/zinc/78/27/72/416782772.db2.gz SNPQXMYZTZGHLW-UONOGXRCSA-N 1 2 302.440 0.911 10 0 DCAELO C[N@H+]1CCO[C@H](CS(=O)(=O)N2CCC[C@@H]2C2CCC2)C1 ZINC000631897292 416782779 /nfs/dbraw/zinc/78/27/79/416782779.db2.gz SNPQXMYZTZGHLW-UONOGXRCSA-N 1 2 302.440 0.911 10 0 DCAELO CC1(C)C[N@H+](CC(=O)NC2CCOCC2)C[C@@]2(CCOC2)O1 ZINC000369868855 416842151 /nfs/dbraw/zinc/84/21/51/416842151.db2.gz VLXDPNUXNUZYGM-MRXNPFEDSA-N 1 2 312.410 0.552 10 0 DCAELO CC1(C)C[N@@H+](CC(=O)NC2CCOCC2)C[C@@]2(CCOC2)O1 ZINC000369868855 416842158 /nfs/dbraw/zinc/84/21/58/416842158.db2.gz VLXDPNUXNUZYGM-MRXNPFEDSA-N 1 2 312.410 0.552 10 0 DCAELO Cn1cc(O[C@@H]2CN(c3cc[nH+]c(C4CC4)n3)C[C@H]2O)cn1 ZINC000624423035 417036070 /nfs/dbraw/zinc/03/60/70/417036070.db2.gz QQUAQOATMQJLKC-CHWSQXEVSA-N 1 2 301.350 0.716 10 0 DCAELO CC(C)(C)OC(=O)NCC[N@@H+]1CCCO[C@H](c2nn[nH]n2)C1 ZINC000616680106 417092425 /nfs/dbraw/zinc/09/24/25/417092425.db2.gz NCMNCQUIUGQMMN-JTQLQIEISA-N 1 2 312.374 0.488 10 0 DCAELO CC(C)(C)OC(=O)NCC[N@H+]1CCCO[C@H](c2nn[nH]n2)C1 ZINC000616680106 417092433 /nfs/dbraw/zinc/09/24/33/417092433.db2.gz NCMNCQUIUGQMMN-JTQLQIEISA-N 1 2 312.374 0.488 10 0 DCAELO Nc1cc([C@H]2CN(S(N)(=O)=O)c3ccccc3N2)cc[nH+]1 ZINC000616690152 417094655 /nfs/dbraw/zinc/09/46/55/417094655.db2.gz CNGKFWFYCMRDQY-LLVKDONJSA-N 1 2 305.363 0.841 10 0 DCAELO Cc1cc(N)nc(SC[C@@H]2CCN(S(C)(=O)=O)C2)[nH+]1 ZINC000408145293 417142435 /nfs/dbraw/zinc/14/24/35/417142435.db2.gz GWNJPQKLIDXTQV-SECBINFHSA-N 1 2 302.425 0.741 10 0 DCAELO COCCOCCS(=O)(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000443758207 287415992 /nfs/dbraw/zinc/41/59/92/287415992.db2.gz DBZQUSFRNSHLJC-UHFFFAOYSA-N 1 2 317.411 0.582 10 0 DCAELO c1cn(C[C@H]2CN(c3cc(-n4cc[nH+]c4)ncn3)CCO2)nn1 ZINC000631376833 417866596 /nfs/dbraw/zinc/86/65/96/417866596.db2.gz FMHLLUPLRFLSMJ-GFCCVEGCSA-N 1 2 312.337 0.159 10 0 DCAELO O=S1(=O)CCN(CCCNc2cc[nH+]c(C3CC3)n2)CC1 ZINC000302014662 230034478 /nfs/dbraw/zinc/03/44/78/230034478.db2.gz LFFMTPBXTKESCT-UHFFFAOYSA-N 1 2 310.423 0.886 10 0 DCAELO COc1cccc([C@@H](C)C(=O)NC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000193498155 261142584 /nfs/dbraw/zinc/14/25/84/261142584.db2.gz YYQUSHFGMKTIKL-UKRRQHHQSA-N 1 2 322.405 0.608 10 0 DCAELO C[C@H](CC(=O)NC[C@H]1C[N@H+](C)CCO1)NC(=O)c1ccccc1 ZINC000194616090 261146364 /nfs/dbraw/zinc/14/63/64/261146364.db2.gz XKVOLOCHUAKILZ-HIFRSBDPSA-N 1 2 319.405 0.642 10 0 DCAELO C[C@H](CC(=O)NC[C@H]1C[N@@H+](C)CCO1)NC(=O)c1ccccc1 ZINC000194616090 261146366 /nfs/dbraw/zinc/14/63/66/261146366.db2.gz XKVOLOCHUAKILZ-HIFRSBDPSA-N 1 2 319.405 0.642 10 0 DCAELO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000362860898 262082278 /nfs/dbraw/zinc/08/22/78/262082278.db2.gz WWGFKJZTIPMWPR-OLZOCXBDSA-N 1 2 322.413 0.414 10 0 DCAELO COCc1nc(C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)no1 ZINC000359215048 271104887 /nfs/dbraw/zinc/10/48/87/271104887.db2.gz PUKKMXIMYIVUFO-UHFFFAOYSA-N 1 2 318.337 0.277 10 0 DCAELO CC[C@@H](C)NC(=O)C[NH+]1CCN([C@@H](C(=O)OC)C2CC2)CC1 ZINC000359611382 271132214 /nfs/dbraw/zinc/13/22/14/271132214.db2.gz PFMGRJOSIJMRDT-IUODEOHRSA-N 1 2 311.426 0.470 10 0 DCAELO CC[C@@H](C)NC(=O)C[NH+]1CCN([C@H](C(=O)OC)C2CC2)CC1 ZINC000359611381 271132720 /nfs/dbraw/zinc/13/27/20/271132720.db2.gz PFMGRJOSIJMRDT-DOMZBBRYSA-N 1 2 311.426 0.470 10 0 DCAELO OC[C@@H]1C[NH+](Cc2ccc(Br)cn2)C[C@H]1CO ZINC000528601846 287722304 /nfs/dbraw/zinc/72/23/04/287722304.db2.gz DEZDADXSMRCMEW-UWVGGRQHSA-N 1 2 301.184 0.877 10 0 DCAELO CCC(=O)N1CCC[C@H](C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000172743696 276202212 /nfs/dbraw/zinc/20/22/12/276202212.db2.gz GWIGBKLCYSSDBH-LSDHHAIUSA-N 1 2 323.437 0.568 10 0 DCAELO CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000081067409 277169992 /nfs/dbraw/zinc/16/99/92/277169992.db2.gz RBWAPVSARJVMDD-NSHDSACASA-N 1 2 311.304 0.610 10 0 DCAELO CC(C)(C)NC(=O)NC(=O)C[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000081067409 277169994 /nfs/dbraw/zinc/16/99/94/277169994.db2.gz RBWAPVSARJVMDD-NSHDSACASA-N 1 2 311.304 0.610 10 0 DCAELO C[C@@H](C(N)=O)[NH+]1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000105865568 278217675 /nfs/dbraw/zinc/21/76/75/278217675.db2.gz UUVXVHSOVHZZKK-AWEZNQCLSA-N 1 2 313.405 0.864 10 0 DCAELO C[C@@H](C(N)=O)N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000105865568 278217677 /nfs/dbraw/zinc/21/76/77/278217677.db2.gz UUVXVHSOVHZZKK-AWEZNQCLSA-N 1 2 313.405 0.864 10 0 DCAELO O=C(N[C@H]1CCn2cc[nH+]c2C1)N1CCSC[C@H]1CCO ZINC000547680007 288068005 /nfs/dbraw/zinc/06/80/05/288068005.db2.gz UNUSYCPVBJKDEW-NWDGAFQWSA-N 1 2 310.423 0.707 10 0 DCAELO Cn1nc2c(cc1=O)C[N@@H+](Cc1nnnn1C(C)(C)C)CC2 ZINC000408247702 279399724 /nfs/dbraw/zinc/39/97/24/279399724.db2.gz PTPVLJJZLAPIRG-UHFFFAOYSA-N 1 2 303.370 0.080 10 0 DCAELO Cn1nc2c(cc1=O)C[N@H+](Cc1nnnn1C(C)(C)C)CC2 ZINC000408247702 279399725 /nfs/dbraw/zinc/39/97/25/279399725.db2.gz PTPVLJJZLAPIRG-UHFFFAOYSA-N 1 2 303.370 0.080 10 0 DCAELO COCCOC[C@H](C)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000553081391 288286256 /nfs/dbraw/zinc/28/62/56/288286256.db2.gz OQOIBOYATICFIK-NSHDSACASA-N 1 2 320.349 0.441 10 0 DCAELO COC(=O)C1([NH2+]C[C@H](O)COC[C@H]2CCCO2)CCCC1 ZINC000556759145 288391632 /nfs/dbraw/zinc/39/16/32/288391632.db2.gz GHIBIRLOAWIQCI-QWHCGFSZSA-N 1 2 301.383 0.618 10 0 DCAELO CC(C)(C)[C@H](CO)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000562454740 288577537 /nfs/dbraw/zinc/57/75/37/288577537.db2.gz PRGQGAOZEIVLTC-NSHDSACASA-N 1 2 304.350 0.796 10 0 DCAELO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC000329588814 289047320 /nfs/dbraw/zinc/04/73/20/289047320.db2.gz SKGOMNIVKXOCPK-XJKCOSOUSA-N 1 2 318.421 0.836 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3nccn4ccnc34)C[C@@H]21 ZINC000284528820 290114005 /nfs/dbraw/zinc/11/40/05/290114005.db2.gz CIIBXGQHPYMAHN-RYUDHWBXSA-N 1 2 301.350 0.274 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)c3nccn4ccnc34)C[C@@H]21 ZINC000284528820 290114007 /nfs/dbraw/zinc/11/40/07/290114007.db2.gz CIIBXGQHPYMAHN-RYUDHWBXSA-N 1 2 301.350 0.274 10 0 DCAELO CO[C@H](C)CS(=O)(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000249439061 294285499 /nfs/dbraw/zinc/28/54/99/294285499.db2.gz FJVMENNLHMFYEB-KGLIPLIRSA-N 1 2 320.455 0.538 10 0 DCAELO C[C@H]1C[N@H+](CC(=O)NCC(C)(C)N2CCOCC2)CCS1 ZINC000171687376 300240327 /nfs/dbraw/zinc/24/03/27/300240327.db2.gz VBNAQBFFVNIYHZ-ZDUSSCGKSA-N 1 2 315.483 0.651 10 0 DCAELO C[C@H]1C[N@@H+](CC(=O)NCC(C)(C)N2CCOCC2)CCS1 ZINC000171687376 300240330 /nfs/dbraw/zinc/24/03/30/300240330.db2.gz VBNAQBFFVNIYHZ-ZDUSSCGKSA-N 1 2 315.483 0.651 10 0 DCAELO Cn1cc[nH+]c1[C@H]1CN(C(=O)C2(O)CCSCC2)CCN1C ZINC000372520381 303006695 /nfs/dbraw/zinc/00/66/95/303006695.db2.gz GDFXQRNHYAIGFD-GFCCVEGCSA-N 1 2 324.450 0.493 10 0 DCAELO COC(=O)c1ccc(N2CC[NH+]([C@@H](C)C(N)=O)CC2)nc1C ZINC000301972695 534189724 /nfs/dbraw/zinc/18/97/24/534189724.db2.gz UHAFJWOZGGTKKL-NSHDSACASA-N 1 2 306.366 0.172 10 0 DCAELO Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@@H]2CNC(=O)C2)CC1 ZINC000299447169 534353810 /nfs/dbraw/zinc/35/38/10/534353810.db2.gz RCBROBODIYVNNN-LBPRGKRZSA-N 1 2 306.366 0.072 10 0 DCAELO CNC(=O)c1ccc(N2CC[NH+](Cc3ccco3)CC2)nn1 ZINC000266839292 521831737 /nfs/dbraw/zinc/83/17/37/521831737.db2.gz LHOHYEWOMSRAAJ-UHFFFAOYSA-N 1 2 301.350 0.751 10 0 DCAELO Cc1ccc(C)c(CC(=O)NC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000128029108 524091319 /nfs/dbraw/zinc/09/13/19/524091319.db2.gz ZEMGKIUSEOFLKV-MRXNPFEDSA-N 1 2 306.406 0.655 10 0 DCAELO O=C(c1cc(N2CCOCC2)ccn1)N1CC[NH+](C2CC2)CC1 ZINC000189318953 526625124 /nfs/dbraw/zinc/62/51/24/526625124.db2.gz ILRUVXSLIGYEBD-UHFFFAOYSA-N 1 2 316.405 0.838 10 0 DCAELO O=C(/C=C/c1cccc(O)c1)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000127420084 527627080 /nfs/dbraw/zinc/62/70/80/527627080.db2.gz HSTXAXODCBVLIX-MBVDDHJVSA-N 1 2 306.362 0.215 10 0 DCAELO CCOc1cnc(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)cn1 ZINC000189935903 545922481 /nfs/dbraw/zinc/92/24/81/545922481.db2.gz YCMVAHDMQIHOGB-OCCSQVGLSA-N 1 2 320.393 0.668 10 0 DCAELO Cc1nc(N2CC[C@](O)(Cn3ccnn3)C2)c2c([nH+]1)CCCC2 ZINC000671466644 547219032 /nfs/dbraw/zinc/21/90/32/547219032.db2.gz OHAXIOYEYMZYMN-MRXNPFEDSA-N 1 2 314.393 0.897 10 0 DCAELO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCCCN1CCCC1=O)C2 ZINC000220587952 658271219 /nfs/dbraw/zinc/27/12/19/658271219.db2.gz YJSZZCKSQMDPBW-GFCCVEGCSA-N 1 2 304.394 0.952 10 0 DCAELO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NCCCN1CCCC1=O)CC2 ZINC000220587952 658271225 /nfs/dbraw/zinc/27/12/25/658271225.db2.gz YJSZZCKSQMDPBW-GFCCVEGCSA-N 1 2 304.394 0.952 10 0 DCAELO CC(=O)N[C@@H]1CCC[N@H+](CN2CC3(CC2=O)CCOCC3)C1 ZINC000176719455 658563047 /nfs/dbraw/zinc/56/30/47/658563047.db2.gz QQMDNGMLHNGQPX-CQSZACIVSA-N 1 2 309.410 0.574 10 0 DCAELO CC(=O)N[C@@H]1CCC[N@@H+](CN2CC3(CC2=O)CCOCC3)C1 ZINC000176719455 658563050 /nfs/dbraw/zinc/56/30/50/658563050.db2.gz QQMDNGMLHNGQPX-CQSZACIVSA-N 1 2 309.410 0.574 10 0 DCAELO O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262927473 662599966 /nfs/dbraw/zinc/59/99/66/662599966.db2.gz HOIBBPQTKXUAIO-PWSUYJOCSA-N 1 2 309.316 0.905 10 0 DCAELO Cn1nnc(C[NH2+]CC23CC(C2)CN3C(=O)OC(C)(C)C)n1 ZINC000701856898 666886667 /nfs/dbraw/zinc/88/66/67/666886667.db2.gz ZEGCRWRYWORRJP-UHFFFAOYSA-N 1 2 308.386 0.699 10 0 DCAELO COc1ccccc1C[NH+]1CCN([C@@]2(C(N)=O)CCOC2)CC1 ZINC000886026745 667725354 /nfs/dbraw/zinc/72/53/54/667725354.db2.gz TWQBEPFWUMMPRW-KRWDZBQOSA-N 1 2 319.405 0.457 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2c[nH]nc2C2CCOCC2)C1 ZINC000886082237 667730088 /nfs/dbraw/zinc/73/00/88/667730088.db2.gz NZRXVJHKQQIRIP-LBPRGKRZSA-N 1 2 308.382 0.364 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)c2c[nH]nc2C2CCOCC2)C1 ZINC000886082237 667730092 /nfs/dbraw/zinc/73/00/92/667730092.db2.gz NZRXVJHKQQIRIP-LBPRGKRZSA-N 1 2 308.382 0.364 10 0 DCAELO O=S(=O)(N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)c1c[nH]cn1 ZINC000720485125 685313796 /nfs/dbraw/zinc/31/37/96/685313796.db2.gz TVZSNRSOFIYQGP-UWVGGRQHSA-N 1 2 302.425 0.268 10 0 DCAELO O=S(=O)(N[C@H]1CCC[N@H+]2CCSC[C@@H]12)c1c[nH]cn1 ZINC000720485125 685313801 /nfs/dbraw/zinc/31/38/01/685313801.db2.gz TVZSNRSOFIYQGP-UWVGGRQHSA-N 1 2 302.425 0.268 10 0 DCAELO CC(C)n1ncnc1C[NH2+]CCS(=O)(=O)N1CCCC1 ZINC000721892505 685319035 /nfs/dbraw/zinc/31/90/35/685319035.db2.gz UXICSCWXETVAFO-UHFFFAOYSA-N 1 2 301.416 0.374 10 0 DCAELO O=C(N[C@@H]1CC(=O)N(C2CC2)C1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000177597526 685148304 /nfs/dbraw/zinc/14/83/04/685148304.db2.gz LNIGFRKXZIEODC-OCCSQVGLSA-N 1 2 317.393 0.820 10 0 DCAELO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@@H+]1CCO ZINC000189996228 685152677 /nfs/dbraw/zinc/15/26/77/685152677.db2.gz VIKQIZYDSLXIQI-SNVBAGLBSA-N 1 2 308.338 0.316 10 0 DCAELO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@H+]1CCO ZINC000189996228 685152681 /nfs/dbraw/zinc/15/26/81/685152681.db2.gz VIKQIZYDSLXIQI-SNVBAGLBSA-N 1 2 308.338 0.316 10 0 DCAELO COCCO[C@@H]1CC[N@H+](CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 ZINC000249139539 685178502 /nfs/dbraw/zinc/17/85/02/685178502.db2.gz VLNXRGMSJKJKSG-RDBSUJKOSA-N 1 2 308.378 0.632 10 0 DCAELO COCCO[C@@H]1CC[N@@H+](CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 ZINC000249139539 685178508 /nfs/dbraw/zinc/17/85/08/685178508.db2.gz VLNXRGMSJKJKSG-RDBSUJKOSA-N 1 2 308.378 0.632 10 0 DCAELO C[N@@H+]1CCC[C@H]1CNC(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000249890986 685184400 /nfs/dbraw/zinc/18/44/00/685184400.db2.gz SXDKQXRHNIPBFF-QWRGUYRKSA-N 1 2 306.453 0.117 10 0 DCAELO C[N@H+]1CCC[C@H]1CNC(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000249890986 685184403 /nfs/dbraw/zinc/18/44/03/685184403.db2.gz SXDKQXRHNIPBFF-QWRGUYRKSA-N 1 2 306.453 0.117 10 0 DCAELO CC(C)NC(=O)NCC[NH+]1CCN(Cc2ccnn2C)CC1 ZINC000124340623 1177123244 /nfs/dbraw/zinc/12/32/44/1177123244.db2.gz FKVXAOJPKYMWNT-UHFFFAOYSA-N 1 2 308.430 0.245 10 0 DCAELO C[N@H+](CC(=O)N1CCC(C(N)=O)CC1)Cc1ccc(Cl)nc1 ZINC000177626560 773899939 /nfs/dbraw/zinc/89/99/39/773899939.db2.gz KTCIXTQLNXFOSQ-UHFFFAOYSA-N 1 2 324.812 0.891 10 0 DCAELO C[N@@H+](CC(=O)N1CCC(C(N)=O)CC1)Cc1ccc(Cl)nc1 ZINC000177626560 773899945 /nfs/dbraw/zinc/89/99/45/773899945.db2.gz KTCIXTQLNXFOSQ-UHFFFAOYSA-N 1 2 324.812 0.891 10 0 DCAELO CNC(=O)[C@@H]1CCCN1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000179272009 529902403 /nfs/dbraw/zinc/90/24/03/529902403.db2.gz CVYXXNYAOGJDCU-LBPRGKRZSA-N 1 2 312.414 0.017 10 0 DCAELO CNC(=O)[C@@H]1CCCN1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000179272009 529902405 /nfs/dbraw/zinc/90/24/05/529902405.db2.gz CVYXXNYAOGJDCU-LBPRGKRZSA-N 1 2 312.414 0.017 10 0 DCAELO CN(C[C@H]1C[N@H+](C)CCO1)S(=O)(=O)CCc1ccccc1 ZINC000074775065 545671709 /nfs/dbraw/zinc/67/17/09/545671709.db2.gz NMMMKJCCSSOUQF-OAHLLOKOSA-N 1 2 312.435 0.821 10 0 DCAELO CN(C[C@H]1C[N@@H+](C)CCO1)S(=O)(=O)CCc1ccccc1 ZINC000074775065 545671713 /nfs/dbraw/zinc/67/17/13/545671713.db2.gz NMMMKJCCSSOUQF-OAHLLOKOSA-N 1 2 312.435 0.821 10 0 DCAELO CCn1nc(C)c(C(=O)NC[C@H]2C[N@H+](C)CCO2)c1Cl ZINC000173338339 186178108 /nfs/dbraw/zinc/17/81/08/186178108.db2.gz QNUCZCAKMHJNPA-JTQLQIEISA-N 1 2 300.790 0.925 10 0 DCAELO CCn1nc(C)c(C(=O)NC[C@H]2C[N@@H+](C)CCO2)c1Cl ZINC000173338339 186178110 /nfs/dbraw/zinc/17/81/10/186178110.db2.gz QNUCZCAKMHJNPA-JTQLQIEISA-N 1 2 300.790 0.925 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2cccnc2Cl)C1 ZINC000179728974 186211311 /nfs/dbraw/zinc/21/13/11/186211311.db2.gz CNDDHIKAIHFMFC-VIFPVBQESA-N 1 2 312.757 0.120 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2cccnc2Cl)C1 ZINC000179728974 186211312 /nfs/dbraw/zinc/21/13/12/186211312.db2.gz CNDDHIKAIHFMFC-VIFPVBQESA-N 1 2 312.757 0.120 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H](CCO)c2ccccc2)C1 ZINC000172700885 198138403 /nfs/dbraw/zinc/13/84/03/198138403.db2.gz HDNNRNMAKFMLIK-HZPDHXFCSA-N 1 2 321.421 0.782 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)NC[C@@H](CCO)c2ccccc2)C1 ZINC000172700885 198138405 /nfs/dbraw/zinc/13/84/05/198138405.db2.gz HDNNRNMAKFMLIK-HZPDHXFCSA-N 1 2 321.421 0.782 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2csnn2)nc[nH+]1 ZINC000173415961 198212092 /nfs/dbraw/zinc/21/20/92/198212092.db2.gz FKTMZKWYWPSMIT-VIFPVBQESA-N 1 2 319.394 0.769 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2csnn2)[nH+]cn1 ZINC000173415961 198212094 /nfs/dbraw/zinc/21/20/94/198212094.db2.gz FKTMZKWYWPSMIT-VIFPVBQESA-N 1 2 319.394 0.769 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2c[nH]nc2C)nc[nH+]1 ZINC000173446163 198215747 /nfs/dbraw/zinc/21/57/47/198215747.db2.gz HCFZDLMMACNSQD-NSHDSACASA-N 1 2 315.381 0.949 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2c[nH]nc2C)[nH+]cn1 ZINC000173446163 198215749 /nfs/dbraw/zinc/21/57/49/198215749.db2.gz HCFZDLMMACNSQD-NSHDSACASA-N 1 2 315.381 0.949 10 0 DCAELO CCCNC(=O)CN(C)C(=O)C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000173399405 198210924 /nfs/dbraw/zinc/21/09/24/198210924.db2.gz MVBHELLNNWXDEP-CQSZACIVSA-N 1 2 321.425 0.921 10 0 DCAELO CCCNC(=O)CN(C)C(=O)C[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000173399405 198210926 /nfs/dbraw/zinc/21/09/26/198210926.db2.gz MVBHELLNNWXDEP-CQSZACIVSA-N 1 2 321.425 0.921 10 0 DCAELO Cc1nn(C)c(C)c1C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000173801373 198253807 /nfs/dbraw/zinc/25/38/07/198253807.db2.gz NEGRTSNXJCGMKB-SMDDNHRTSA-N 1 2 306.410 0.830 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNS(=O)(=O)C2CC2)nc[nH+]1 ZINC000173901325 198266231 /nfs/dbraw/zinc/26/62/31/198266231.db2.gz YOVBBRFIEXURRX-SNVBAGLBSA-N 1 2 311.411 0.569 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNS(=O)(=O)C2CC2)[nH+]cn1 ZINC000173901325 198266233 /nfs/dbraw/zinc/26/62/33/198266233.db2.gz YOVBBRFIEXURRX-SNVBAGLBSA-N 1 2 311.411 0.569 10 0 DCAELO C[C@H](CNC(=O)NC[C@@](C)(O)c1ccco1)[NH+]1CCOCC1 ZINC000175006893 198414765 /nfs/dbraw/zinc/41/47/65/198414765.db2.gz GVWRAAVLRWCEAZ-IUODEOHRSA-N 1 2 311.382 0.507 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)Nc3ccc(C(N)=O)nc3)C[C@H]21 ZINC000285778544 283026246 /nfs/dbraw/zinc/02/62/46/283026246.db2.gz MWPGMSYUFMZNMS-OLZOCXBDSA-N 1 2 319.365 0.117 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3ccc(C(N)=O)nc3)C[C@H]21 ZINC000285778544 283026247 /nfs/dbraw/zinc/02/62/47/283026247.db2.gz MWPGMSYUFMZNMS-OLZOCXBDSA-N 1 2 319.365 0.117 10 0 DCAELO C[C@H](CNC(=O)N(C)[C@@H](C)c1cnn(C)c1)[NH+]1CCOCC1 ZINC000180322939 199145452 /nfs/dbraw/zinc/14/54/52/199145452.db2.gz ZKPUVOYLXQFLPT-OLZOCXBDSA-N 1 2 309.414 0.843 10 0 DCAELO O=C(NCc1[nH+]ccn1CCc1ccccc1)[C@H]1CNC(=O)C1 ZINC000176496819 237197074 /nfs/dbraw/zinc/19/70/74/237197074.db2.gz HJQDFAQUKIUFID-CQSZACIVSA-N 1 2 312.373 0.878 10 0 DCAELO CC(C)[N@@H+](CC(=O)OC(C)(C)C)C[C@@H](O)CN1CCOCC1 ZINC000153972554 291209872 /nfs/dbraw/zinc/20/98/72/291209872.db2.gz HHHHGNXIZWOEAK-AWEZNQCLSA-N 1 2 316.442 0.732 10 0 DCAELO CC(C)[N@H+](CC(=O)OC(C)(C)C)C[C@@H](O)CN1CCOCC1 ZINC000153972554 291209876 /nfs/dbraw/zinc/20/98/76/291209876.db2.gz HHHHGNXIZWOEAK-AWEZNQCLSA-N 1 2 316.442 0.732 10 0 DCAELO CC(C)N(CC(=O)OC(C)(C)C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000153972554 291209880 /nfs/dbraw/zinc/20/98/80/291209880.db2.gz HHHHGNXIZWOEAK-AWEZNQCLSA-N 1 2 316.442 0.732 10 0 DCAELO COC[C@H]1NC(=O)N(Cc2ccc(Cn3cc[nH+]c3)cc2)C1=O ZINC000569426088 541323805 /nfs/dbraw/zinc/32/38/05/541323805.db2.gz RTZIWOOQCFWYSS-CQSZACIVSA-N 1 2 314.345 0.998 10 0 DCAELO O=C(NC[C@H]1CCCCO1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000568861537 291449757 /nfs/dbraw/zinc/44/97/57/291449757.db2.gz NFUDIUSFAVSVNH-GFCCVEGCSA-N 1 2 302.334 0.958 10 0 DCAELO Cc1ccc(Cl)cc1N1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC000016551294 182049268 /nfs/dbraw/zinc/04/92/68/182049268.db2.gz GAIURZUUAVKJQP-UHFFFAOYSA-N 1 2 310.785 0.965 10 0 DCAELO CNc1[nH+]cnc(NNS(=O)(=O)c2ccc(C)cc2)c1N ZINC000040707056 183121194 /nfs/dbraw/zinc/12/11/94/183121194.db2.gz KLUNASGIOXRUMD-UHFFFAOYSA-N 1 2 308.367 0.714 10 0 DCAELO O=C(CN1CC[NH+](Cc2ccccc2F)CC1)N1CCOCC1 ZINC000041106182 183166041 /nfs/dbraw/zinc/16/60/41/183166041.db2.gz OFWPHIKQCACBQG-UHFFFAOYSA-N 1 2 321.396 0.802 10 0 DCAELO O=C(C[NH+]1CCN(Cc2ccccc2F)CC1)N1CCOCC1 ZINC000041106182 183166043 /nfs/dbraw/zinc/16/60/43/183166043.db2.gz OFWPHIKQCACBQG-UHFFFAOYSA-N 1 2 321.396 0.802 10 0 DCAELO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1C[C@H](F)C[C@@H]1CO ZINC000364623821 296336429 /nfs/dbraw/zinc/33/64/29/296336429.db2.gz OKLJHYLMFMOFGN-LPWJVIDDSA-N 1 2 315.389 0.796 10 0 DCAELO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1C[C@H](F)C[C@@H]1CO ZINC000364623821 296336431 /nfs/dbraw/zinc/33/64/31/296336431.db2.gz OKLJHYLMFMOFGN-LPWJVIDDSA-N 1 2 315.389 0.796 10 0 DCAELO COCC[N@@H+]1CCN(S(=O)(=O)CC2CCOCC2)C[C@@H]1C ZINC000173167039 532969649 /nfs/dbraw/zinc/96/96/49/532969649.db2.gz JRGFWNZSQKKDLC-ZDUSSCGKSA-N 1 2 320.455 0.395 10 0 DCAELO COCC[N@H+]1CCN(S(=O)(=O)CC2CCOCC2)C[C@@H]1C ZINC000173167039 532969657 /nfs/dbraw/zinc/96/96/57/532969657.db2.gz JRGFWNZSQKKDLC-ZDUSSCGKSA-N 1 2 320.455 0.395 10 0 DCAELO COc1ccc(O)c(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000105569964 220438095 /nfs/dbraw/zinc/43/80/95/220438095.db2.gz BAKSPQPWTAHPQZ-GFCCVEGCSA-N 1 2 306.362 0.948 10 0 DCAELO CS(=O)(=O)N[C@@H]1C[N@H+](Cc2ccncc2)[C@H]2CCCO[C@@H]12 ZINC000247519557 257119532 /nfs/dbraw/zinc/11/95/32/257119532.db2.gz KXLDJMWZKUOORW-RDBSUJKOSA-N 1 2 311.407 0.363 10 0 DCAELO CS(=O)(=O)N[C@@H]1C[N@@H+](Cc2ccncc2)[C@H]2CCCO[C@@H]12 ZINC000247519557 257119534 /nfs/dbraw/zinc/11/95/34/257119534.db2.gz KXLDJMWZKUOORW-RDBSUJKOSA-N 1 2 311.407 0.363 10 0 DCAELO Cn1cc(CCNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)cn1 ZINC000284082900 131046688 /nfs/dbraw/zinc/04/66/88/131046688.db2.gz RFPNYBCJHCKZKM-UONOGXRCSA-N 1 2 307.398 0.077 10 0 DCAELO Cn1cc(CCNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)cn1 ZINC000284082900 131046689 /nfs/dbraw/zinc/04/66/89/131046689.db2.gz RFPNYBCJHCKZKM-UONOGXRCSA-N 1 2 307.398 0.077 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccc(NC(N)=O)c3)C[C@@H]21 ZINC000284230575 131061021 /nfs/dbraw/zinc/06/10/21/131061021.db2.gz VSMQUKGWIDYXHH-UONOGXRCSA-N 1 2 318.377 0.722 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccc(NC(N)=O)c3)C[C@@H]21 ZINC000284230575 131061022 /nfs/dbraw/zinc/06/10/22/131061022.db2.gz VSMQUKGWIDYXHH-UONOGXRCSA-N 1 2 318.377 0.722 10 0 DCAELO Cc1nn(C)cc1[C@H](C)NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000285313802 131157149 /nfs/dbraw/zinc/15/71/49/131157149.db2.gz HRVUGLBYLJBRTH-CQDKDKBSSA-N 1 2 321.425 0.904 10 0 DCAELO Cc1nn(C)cc1[C@H](C)NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000285313802 131157150 /nfs/dbraw/zinc/15/71/50/131157150.db2.gz HRVUGLBYLJBRTH-CQDKDKBSSA-N 1 2 321.425 0.904 10 0 DCAELO C[C@@H](C(=O)NCC1CCCCC1)[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000122351834 132163374 /nfs/dbraw/zinc/16/33/74/132163374.db2.gz CFGAZLAWSKUKJY-DYEKYZERSA-N 1 2 311.426 0.646 10 0 DCAELO C[C@@H](C(=O)NCC1CCCCC1)[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000122351834 132163375 /nfs/dbraw/zinc/16/33/75/132163375.db2.gz CFGAZLAWSKUKJY-DYEKYZERSA-N 1 2 311.426 0.646 10 0 DCAELO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1nnc2n1CCCC2 ZINC000173626213 285544034 /nfs/dbraw/zinc/54/40/34/285544034.db2.gz LOIMWNOVQMQAHR-VHSXEESVSA-N 1 2 308.386 0.499 10 0 DCAELO COCCNC(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(C)=O)CC1 ZINC000036251544 395722961 /nfs/dbraw/zinc/72/29/61/395722961.db2.gz ZLNDMBKVXDAJJZ-OAHLLOKOSA-N 1 2 311.426 0.472 10 0 DCAELO C[C@@H]1CC[C@@H](C)[N@H+](Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C1 ZINC000095975834 395740783 /nfs/dbraw/zinc/74/07/83/395740783.db2.gz BOFQJGOAJTUYSV-NXEZZACHSA-N 1 2 305.382 0.581 10 0 DCAELO C[C@@H]1CC[C@@H](C)[N@@H+](Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C1 ZINC000095975834 395740785 /nfs/dbraw/zinc/74/07/85/395740785.db2.gz BOFQJGOAJTUYSV-NXEZZACHSA-N 1 2 305.382 0.581 10 0 DCAELO C=Cn1cc(C[N@@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)cn1 ZINC000194076271 395787782 /nfs/dbraw/zinc/78/77/82/395787782.db2.gz DYEQDWQLLGSAMN-CQSZACIVSA-N 1 2 310.423 0.984 10 0 DCAELO C=Cn1cc(C[N@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)cn1 ZINC000194076271 395787786 /nfs/dbraw/zinc/78/77/86/395787786.db2.gz DYEQDWQLLGSAMN-CQSZACIVSA-N 1 2 310.423 0.984 10 0 DCAELO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2cc(C(N)=O)cn2C)C[C@H](C)O1 ZINC000194730983 395805431 /nfs/dbraw/zinc/80/54/31/395805431.db2.gz KZPQKHDNWCXIAE-TXEJJXNPSA-N 1 2 322.409 0.305 10 0 DCAELO C[C@@H]1C[N@H+](CCN(C)C(=O)c2cc(C(N)=O)cn2C)C[C@H](C)O1 ZINC000194730983 395805435 /nfs/dbraw/zinc/80/54/35/395805435.db2.gz KZPQKHDNWCXIAE-TXEJJXNPSA-N 1 2 322.409 0.305 10 0 DCAELO CC[C@H](C)NC(=O)C[NH+]1CCN(Cc2nnc(C)n2CC)CC1 ZINC000195058927 395815276 /nfs/dbraw/zinc/81/52/76/395815276.db2.gz ZWUYDOADZWIHKO-ZDUSSCGKSA-N 1 2 322.457 0.639 10 0 DCAELO CCCNC(=O)CN(C)C(=O)C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000195505701 395829561 /nfs/dbraw/zinc/82/95/61/395829561.db2.gz FZBFSTDAOWCPOA-UHFFFAOYSA-N 1 2 321.425 0.574 10 0 DCAELO C[C@@H](C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)n1cncn1 ZINC000113448297 395830472 /nfs/dbraw/zinc/83/04/72/395830472.db2.gz ONXWDTWKJLCLRT-KBPBESRZSA-N 1 2 307.398 0.552 10 0 DCAELO CCc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000118115579 395859965 /nfs/dbraw/zinc/85/99/65/395859965.db2.gz YRNVGTNVDCZDDY-CQSZACIVSA-N 1 2 305.378 0.634 10 0 DCAELO CCc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000118115579 395859968 /nfs/dbraw/zinc/85/99/68/395859968.db2.gz YRNVGTNVDCZDDY-CQSZACIVSA-N 1 2 305.378 0.634 10 0 DCAELO Cc1sc(=O)n(CCC(=O)NC[C@@H]2C[N@H+](C)CCO2)c1C ZINC000115351401 395839609 /nfs/dbraw/zinc/83/96/09/395839609.db2.gz YLBDSZHHMPSCFG-GFCCVEGCSA-N 1 2 313.423 0.364 10 0 DCAELO Cc1sc(=O)n(CCC(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1C ZINC000115351401 395839611 /nfs/dbraw/zinc/83/96/11/395839611.db2.gz YLBDSZHHMPSCFG-GFCCVEGCSA-N 1 2 313.423 0.364 10 0 DCAELO Cc1cc(C)cc(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000118115410 395860434 /nfs/dbraw/zinc/86/04/34/395860434.db2.gz ROBGTABVCLNIEV-AWEZNQCLSA-N 1 2 305.378 0.689 10 0 DCAELO Cc1cc(C)cc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000118115410 395860436 /nfs/dbraw/zinc/86/04/36/395860436.db2.gz ROBGTABVCLNIEV-AWEZNQCLSA-N 1 2 305.378 0.689 10 0 DCAELO Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1C ZINC000118115385 395860624 /nfs/dbraw/zinc/86/06/24/395860624.db2.gz WIQKPGKNUDGYRQ-CQSZACIVSA-N 1 2 305.378 0.689 10 0 DCAELO Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1C ZINC000118115385 395860628 /nfs/dbraw/zinc/86/06/28/395860628.db2.gz WIQKPGKNUDGYRQ-CQSZACIVSA-N 1 2 305.378 0.689 10 0 DCAELO COCC[N@@H+]1CCN(C(=O)C(=O)Nc2cccnc2)C[C@H]1C ZINC000117522747 395853168 /nfs/dbraw/zinc/85/31/68/395853168.db2.gz JNRPVUAQBRWYLD-GFCCVEGCSA-N 1 2 306.366 0.199 10 0 DCAELO COCC[N@H+]1CCN(C(=O)C(=O)Nc2cccnc2)C[C@H]1C ZINC000117522747 395853170 /nfs/dbraw/zinc/85/31/70/395853170.db2.gz JNRPVUAQBRWYLD-GFCCVEGCSA-N 1 2 306.366 0.199 10 0 DCAELO Cc1nsc(N2CCC[N@@H+]([C@H]3CC(=O)N(C)C3=O)CC2)n1 ZINC000246078948 395940790 /nfs/dbraw/zinc/94/07/90/395940790.db2.gz FQUJPHKBHKFKBH-JTQLQIEISA-N 1 2 309.395 0.116 10 0 DCAELO Cc1nsc(N2CCC[N@H+]([C@H]3CC(=O)N(C)C3=O)CC2)n1 ZINC000246078948 395940792 /nfs/dbraw/zinc/94/07/92/395940792.db2.gz FQUJPHKBHKFKBH-JTQLQIEISA-N 1 2 309.395 0.116 10 0 DCAELO CC[N@H+](C[C@@H](C)CS(C)(=O)=O)[C@H](C)CS(=O)(=O)CC ZINC000246557219 395952432 /nfs/dbraw/zinc/95/24/32/395952432.db2.gz NAOSIVJDTTZRIJ-VXGBXAGGSA-N 1 2 313.485 0.812 10 0 DCAELO CC[N@@H+](C[C@@H](C)CS(C)(=O)=O)[C@H](C)CS(=O)(=O)CC ZINC000246557219 395952434 /nfs/dbraw/zinc/95/24/34/395952434.db2.gz NAOSIVJDTTZRIJ-VXGBXAGGSA-N 1 2 313.485 0.812 10 0 DCAELO COCCCS(=O)(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000246612852 395954339 /nfs/dbraw/zinc/95/43/39/395954339.db2.gz XAKZSTTZSASUKE-QWHCGFSZSA-N 1 2 306.428 0.005 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)N2CCN(c3cccs3)CC2)C1 ZINC000150729957 395971606 /nfs/dbraw/zinc/97/16/06/395971606.db2.gz GFDIRUWECUSGCC-CYBMUJFWSA-N 1 2 324.450 0.910 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)N2CCN(c3cccs3)CC2)C1 ZINC000150729957 395971611 /nfs/dbraw/zinc/97/16/11/395971611.db2.gz GFDIRUWECUSGCC-CYBMUJFWSA-N 1 2 324.450 0.910 10 0 DCAELO Cn1ccnc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)[C@H]1CCOC1=O ZINC000276231084 395989408 /nfs/dbraw/zinc/98/94/08/395989408.db2.gz DZONTRYUZZNNQQ-AVGNSLFASA-N 1 2 310.373 0.580 10 0 DCAELO Cc1cc(C[N@@H+]2C[C@@H](CO)[C@H](NC(=O)C3CCC3)C2)n(C)n1 ZINC000253415073 396027767 /nfs/dbraw/zinc/02/77/67/396027767.db2.gz ZNJXFLHHUDPRCG-DZGCQCFKSA-N 1 2 306.410 0.438 10 0 DCAELO Cc1cc(C[N@H+]2C[C@@H](CO)[C@H](NC(=O)C3CCC3)C2)n(C)n1 ZINC000253415073 396027770 /nfs/dbraw/zinc/02/77/70/396027770.db2.gz ZNJXFLHHUDPRCG-DZGCQCFKSA-N 1 2 306.410 0.438 10 0 DCAELO COc1ccc(CC(=O)NC[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000154111642 396031163 /nfs/dbraw/zinc/03/11/63/396031163.db2.gz BROCBDHUENFUQB-CQSZACIVSA-N 1 2 308.378 0.047 10 0 DCAELO C[C@@H]1CN(C(=O)COc2ccccc2O)C[C@H]1[NH+]1CCOCC1 ZINC000152315498 396005858 /nfs/dbraw/zinc/00/58/58/396005858.db2.gz BCVKFGLQVPLCLW-ZIAGYGMSSA-N 1 2 320.389 0.950 10 0 DCAELO C[C@H](CNC(=O)NC[C@H](O)CC(C)(C)C)[NH+]1CCOCC1 ZINC000172282020 396130483 /nfs/dbraw/zinc/13/04/83/396130483.db2.gz AWYVRBGJVSMIPG-CHWSQXEVSA-N 1 2 301.431 0.803 10 0 DCAELO CC(C)[C@@H](C(=O)N[C@@H]1CCCNC1=O)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000069337650 396075455 /nfs/dbraw/zinc/07/54/55/396075455.db2.gz JRRUGLQYGKJMIJ-RQJABVFESA-N 1 2 311.426 0.515 10 0 DCAELO CC(C)[C@@H](C(=O)N[C@@H]1CCCNC1=O)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000069337650 396075457 /nfs/dbraw/zinc/07/54/57/396075457.db2.gz JRRUGLQYGKJMIJ-RQJABVFESA-N 1 2 311.426 0.515 10 0 DCAELO Cn1cc[nH+]c1CC1CCN(C(=O)CCc2nnc[nH]2)CC1 ZINC000162437896 396081318 /nfs/dbraw/zinc/08/13/18/396081318.db2.gz DTCZUNIWDHHROG-UHFFFAOYSA-N 1 2 302.382 0.952 10 0 DCAELO Cn1cc[nH+]c1CC1CCN(C(=O)CCc2nc[nH]n2)CC1 ZINC000162437896 396081321 /nfs/dbraw/zinc/08/13/21/396081321.db2.gz DTCZUNIWDHHROG-UHFFFAOYSA-N 1 2 302.382 0.952 10 0 DCAELO CN(C)C(=O)COc1cccc(NC(=O)[C@H]2COCC[NH2+]2)c1 ZINC000262599030 396160319 /nfs/dbraw/zinc/16/03/19/396160319.db2.gz AXBCORZFEQCQND-CYBMUJFWSA-N 1 2 307.350 0.081 10 0 DCAELO CCCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000262728922 396176648 /nfs/dbraw/zinc/17/66/48/396176648.db2.gz BGPXWEUFQVKBDE-GHMZBOCLSA-N 1 2 303.353 0.748 10 0 DCAELO O=C(NCc1ccnc(-n2cccn2)c1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263008158 396197945 /nfs/dbraw/zinc/19/79/45/396197945.db2.gz PKUIILOAFLFAMY-LLVKDONJSA-N 1 2 307.304 0.881 10 0 DCAELO O=C(NCC1CC1)[C@H]1CCCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263040978 396199274 /nfs/dbraw/zinc/19/92/74/396199274.db2.gz SUBBTJBDMVEKTM-RYUDHWBXSA-N 1 2 315.364 0.748 10 0 DCAELO C[C@H](CO)[C@H](C)NC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000077772733 396232598 /nfs/dbraw/zinc/23/25/98/396232598.db2.gz PKZCDKJRSUNBLY-OLZOCXBDSA-N 1 2 322.409 0.734 10 0 DCAELO CC[C@H]([NH2+]CC(=O)NCC(=O)N1CCCC1)c1nccs1 ZINC000185097698 396317492 /nfs/dbraw/zinc/31/74/92/396317492.db2.gz ZLTSAOLSMPKWMQ-NSHDSACASA-N 1 2 310.423 0.922 10 0 DCAELO Cc1cccc(F)c1S(=O)(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000184275272 396289340 /nfs/dbraw/zinc/28/93/40/396289340.db2.gz HTAYMNSKNYZAAY-LLVKDONJSA-N 1 2 302.371 0.743 10 0 DCAELO Cc1cccc(F)c1S(=O)(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000184275272 396289341 /nfs/dbraw/zinc/28/93/41/396289341.db2.gz HTAYMNSKNYZAAY-LLVKDONJSA-N 1 2 302.371 0.743 10 0 DCAELO O=C1[C@H]([N@H+]2C[C@H](O)C[C@@H]2CO)CCN1c1ccccc1Cl ZINC000184739722 396304698 /nfs/dbraw/zinc/30/46/98/396304698.db2.gz VOPRNSGCEHUWJU-JTNHKYCSSA-N 1 2 310.781 0.873 10 0 DCAELO O=C1[C@H]([N@@H+]2C[C@H](O)C[C@@H]2CO)CCN1c1ccccc1Cl ZINC000184739722 396304699 /nfs/dbraw/zinc/30/46/99/396304699.db2.gz VOPRNSGCEHUWJU-JTNHKYCSSA-N 1 2 310.781 0.873 10 0 DCAELO O=C(N1CC[NH+](C[C@H](O)c2ccccc2)CC1)C1(O)CCC1 ZINC000184756497 396305109 /nfs/dbraw/zinc/30/51/09/396305109.db2.gz COKJAVQOQAJCFU-HNNXBMFYSA-N 1 2 304.390 0.779 10 0 DCAELO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1CO)Nc1ccc(OC(F)F)cc1 ZINC000185186256 396321254 /nfs/dbraw/zinc/32/12/54/396321254.db2.gz HUNZYMRZXCCGMX-MNOVXSKESA-N 1 2 316.304 0.654 10 0 DCAELO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1CO)Nc1ccc(OC(F)F)cc1 ZINC000185186256 396321255 /nfs/dbraw/zinc/32/12/55/396321255.db2.gz HUNZYMRZXCCGMX-MNOVXSKESA-N 1 2 316.304 0.654 10 0 DCAELO COCCCNC(=O)CS(=O)(=O)Cc1ccc(C)[nH+]c1C ZINC000185238895 396322616 /nfs/dbraw/zinc/32/26/16/396322616.db2.gz WBKHSBIIIPHCLV-UHFFFAOYSA-N 1 2 314.407 0.766 10 0 DCAELO CCC[N@@H+](CC(=O)OC(C)(C)C)C[C@H](O)CN1CCOCC1 ZINC000186310594 396347450 /nfs/dbraw/zinc/34/74/50/396347450.db2.gz PUXFKLHFJGRTAG-CQSZACIVSA-N 1 2 316.442 0.733 10 0 DCAELO CCC[N@H+](CC(=O)OC(C)(C)C)C[C@H](O)CN1CCOCC1 ZINC000186310594 396347451 /nfs/dbraw/zinc/34/74/51/396347451.db2.gz PUXFKLHFJGRTAG-CQSZACIVSA-N 1 2 316.442 0.733 10 0 DCAELO CCCN(CC(=O)OC(C)(C)C)C[C@H](O)C[NH+]1CCOCC1 ZINC000186310594 396347453 /nfs/dbraw/zinc/34/74/53/396347453.db2.gz PUXFKLHFJGRTAG-CQSZACIVSA-N 1 2 316.442 0.733 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3ccc(C(N)=O)nc3)C[C@@H]21 ZINC000285778546 396353011 /nfs/dbraw/zinc/35/30/11/396353011.db2.gz MWPGMSYUFMZNMS-QWHCGFSZSA-N 1 2 319.365 0.117 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3ccc(C(N)=O)nc3)C[C@@H]21 ZINC000285778546 396353014 /nfs/dbraw/zinc/35/30/14/396353014.db2.gz MWPGMSYUFMZNMS-QWHCGFSZSA-N 1 2 319.365 0.117 10 0 DCAELO C[C@@H]1C(=O)NCCC[N@H+]1CC(=O)N(C)Cc1ccc(F)cc1 ZINC000189341670 396394225 /nfs/dbraw/zinc/39/42/25/396394225.db2.gz NLYNZCVAXFNJBZ-GFCCVEGCSA-N 1 2 307.369 0.995 10 0 DCAELO C[C@@H]1C(=O)NCCC[N@@H+]1CC(=O)N(C)Cc1ccc(F)cc1 ZINC000189341670 396394226 /nfs/dbraw/zinc/39/42/26/396394226.db2.gz NLYNZCVAXFNJBZ-GFCCVEGCSA-N 1 2 307.369 0.995 10 0 DCAELO CC(=O)NC1CN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000189829047 396400430 /nfs/dbraw/zinc/40/04/30/396400430.db2.gz BIUDEDXOGHSXHO-UHFFFAOYSA-N 1 2 317.393 0.580 10 0 DCAELO Cc1ccc(CNC(=O)C[N@H+]2CCCN(C)C(=O)C2)cc1F ZINC000191100725 396415752 /nfs/dbraw/zinc/41/57/52/396415752.db2.gz YDLPVJDLZYOOCP-UHFFFAOYSA-N 1 2 307.369 0.914 10 0 DCAELO Cc1ccc(CNC(=O)C[N@@H+]2CCCN(C)C(=O)C2)cc1F ZINC000191100725 396415754 /nfs/dbraw/zinc/41/57/54/396415754.db2.gz YDLPVJDLZYOOCP-UHFFFAOYSA-N 1 2 307.369 0.914 10 0 DCAELO CCS(=O)(=O)NCC[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)OC ZINC000191217155 396416588 /nfs/dbraw/zinc/41/65/88/396416588.db2.gz JMKAASVTHNFTBA-SDDRHHMPSA-N 1 2 304.412 0.199 10 0 DCAELO CCS(=O)(=O)NCC[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)OC ZINC000191217155 396416589 /nfs/dbraw/zinc/41/65/89/396416589.db2.gz JMKAASVTHNFTBA-SDDRHHMPSA-N 1 2 304.412 0.199 10 0 DCAELO COCC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(F)cn2)C[C@H]1C ZINC000193277112 396448031 /nfs/dbraw/zinc/44/80/31/396448031.db2.gz HYAHZAWLXZFWFG-LLVKDONJSA-N 1 2 324.356 0.338 10 0 DCAELO COCC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(F)cn2)C[C@H]1C ZINC000193277112 396448033 /nfs/dbraw/zinc/44/80/33/396448033.db2.gz HYAHZAWLXZFWFG-LLVKDONJSA-N 1 2 324.356 0.338 10 0 DCAELO COc1cc(C[NH+]2CC(N3CCNC3=O)C2)cc2c1OCCO2 ZINC000291402800 396488480 /nfs/dbraw/zinc/48/84/80/396488480.db2.gz FFUUGTOUTKGZLG-UHFFFAOYSA-N 1 2 319.361 0.676 10 0 DCAELO Cn1cc[nH+]c1[C@@H]1CN(c2ccnc(C(N)=O)c2)CCN1C ZINC000373669622 396606370 /nfs/dbraw/zinc/60/63/70/396606370.db2.gz CJJZWULGTVBYFH-ZDUSSCGKSA-N 1 2 300.366 0.407 10 0 DCAELO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H](CC)O[C@@]2(CCOC2)C1 ZINC000373807809 396615116 /nfs/dbraw/zinc/61/51/16/396615116.db2.gz WNXPNVDACYUETB-HUBLWGQQSA-N 1 2 313.398 0.491 10 0 DCAELO CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H](CC)O[C@@]2(CCOC2)C1 ZINC000373807809 396615118 /nfs/dbraw/zinc/61/51/18/396615118.db2.gz WNXPNVDACYUETB-HUBLWGQQSA-N 1 2 313.398 0.491 10 0 DCAELO COC(=O)[C@]1(C)CN(C(=O)NC[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC000374415300 396662841 /nfs/dbraw/zinc/66/28/41/396662841.db2.gz MAHIQBDKXMIAFI-TYNCELHUSA-N 1 2 313.398 0.158 10 0 DCAELO COC(=O)[C@]1(C)CN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC000374415300 396662842 /nfs/dbraw/zinc/66/28/42/396662842.db2.gz MAHIQBDKXMIAFI-TYNCELHUSA-N 1 2 313.398 0.158 10 0 DCAELO O=C(N[C@@H]1CCc2c[nH]nc2C1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000374567849 396673049 /nfs/dbraw/zinc/67/30/49/396673049.db2.gz GDSHPVMEGWSFEO-ZIAGYGMSSA-N 1 2 319.409 0.383 10 0 DCAELO C[C@H](O)CNc1cc(N2CCN(CC(F)F)CC2)nc[nH+]1 ZINC000294558085 396681331 /nfs/dbraw/zinc/68/13/31/396681331.db2.gz WYPOOLKICPDSTB-JTQLQIEISA-N 1 2 301.341 0.656 10 0 DCAELO CC(C)CCOCCNC(=O)C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000375242716 396720985 /nfs/dbraw/zinc/72/09/85/396720985.db2.gz PVSUBDKNXVTJKQ-OAHLLOKOSA-N 1 2 313.442 0.182 10 0 DCAELO CC(C)CCOCCNC(=O)C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000375242716 396720987 /nfs/dbraw/zinc/72/09/87/396720987.db2.gz PVSUBDKNXVTJKQ-OAHLLOKOSA-N 1 2 313.442 0.182 10 0 DCAELO CCOC(=O)C[C@@H](O)C[NH+]1CCC(CS(C)(=O)=O)CC1 ZINC000312709847 396766760 /nfs/dbraw/zinc/76/67/60/396766760.db2.gz PENXOEGDCWSLFB-GFCCVEGCSA-N 1 2 307.412 0.057 10 0 DCAELO CCCn1cc(C[NH+]2CC(N3CCn4c(C)nnc4C3)C2)cn1 ZINC000328631375 396827293 /nfs/dbraw/zinc/82/72/93/396827293.db2.gz KLWWOTSEPIJACJ-UHFFFAOYSA-N 1 2 315.425 0.893 10 0 DCAELO Cc1cc(C(=O)N2CCN(C)[C@H](c3[nH]cc[nH+]3)C2)nc(C)n1 ZINC000328637456 396828361 /nfs/dbraw/zinc/82/83/61/396828361.db2.gz VYZZVMQXOLAYCZ-ZDUSSCGKSA-N 1 2 300.366 0.945 10 0 DCAELO CN1CCN(C(=O)COC[C@H]2CCCO2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000328643839 396829448 /nfs/dbraw/zinc/82/94/48/396829448.db2.gz YZQXPHDRMLVUKV-CHWSQXEVSA-N 1 2 308.382 0.420 10 0 DCAELO O=C1[C@H]([N@@H+]2CC[C@@](O)(C(F)(F)F)C2)CCN1C1CCOCC1 ZINC000328678221 396831434 /nfs/dbraw/zinc/83/14/34/396831434.db2.gz SRDHGIDENMIUNP-YPMHNXCESA-N 1 2 322.327 0.765 10 0 DCAELO O=C1[C@H]([N@H+]2CC[C@@](O)(C(F)(F)F)C2)CCN1C1CCOCC1 ZINC000328678221 396831437 /nfs/dbraw/zinc/83/14/37/396831437.db2.gz SRDHGIDENMIUNP-YPMHNXCESA-N 1 2 322.327 0.765 10 0 DCAELO O=S1(=O)NC(CN2CC[NH+](C3CC3)CC2)=Nc2ccccc21 ZINC000328881424 396834031 /nfs/dbraw/zinc/83/40/31/396834031.db2.gz WMVQSDNJELWHPT-UHFFFAOYSA-N 1 2 320.418 0.789 10 0 DCAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000375938699 396846920 /nfs/dbraw/zinc/84/69/20/396846920.db2.gz UTIXAFFUWDVXGT-FMKPAKJESA-N 1 2 323.437 0.661 10 0 DCAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000375938699 396846928 /nfs/dbraw/zinc/84/69/28/396846928.db2.gz UTIXAFFUWDVXGT-FMKPAKJESA-N 1 2 323.437 0.661 10 0 DCAELO CO[C@]1(C)C[C@H](NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1(C)C ZINC000571362443 396943434 /nfs/dbraw/zinc/94/34/34/396943434.db2.gz QVFFNFHLKRPURD-SUMWQHHRSA-N 1 2 323.437 0.613 10 0 DCAELO CNC(=O)C1CN(C(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)C1 ZINC000376630302 396954242 /nfs/dbraw/zinc/95/42/42/396954242.db2.gz ZOAPHBFPHJZMNG-SNVBAGLBSA-N 1 2 304.394 0.842 10 0 DCAELO CNC(=O)C1CN(C(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)C1 ZINC000376630302 396954246 /nfs/dbraw/zinc/95/42/46/396954246.db2.gz ZOAPHBFPHJZMNG-SNVBAGLBSA-N 1 2 304.394 0.842 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCCC(=O)NC(N)=O)C2 ZINC000364540225 397216449 /nfs/dbraw/zinc/21/64/49/397216449.db2.gz IWVHPOXISSSJEL-VIFPVBQESA-N 1 2 321.381 0.339 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCCC(=O)NC(N)=O)CC2 ZINC000364540225 397216452 /nfs/dbraw/zinc/21/64/52/397216452.db2.gz IWVHPOXISSSJEL-VIFPVBQESA-N 1 2 321.381 0.339 10 0 DCAELO CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+]1CCOCC[C@@H]1C ZINC000378512079 397250676 /nfs/dbraw/zinc/25/06/76/397250676.db2.gz YQNCSDVKIMMKIG-NSHDSACASA-N 1 2 324.381 0.646 10 0 DCAELO CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+]1CCOCC[C@@H]1C ZINC000378512079 397250680 /nfs/dbraw/zinc/25/06/80/397250680.db2.gz YQNCSDVKIMMKIG-NSHDSACASA-N 1 2 324.381 0.646 10 0 DCAELO C[C@H](C(=O)N1CC[NH2+][C@@H](c2ccncc2)C1)N1CCOCC1 ZINC000407969479 397341523 /nfs/dbraw/zinc/34/15/23/397341523.db2.gz XEDOKIKVQNOAPZ-UKRRQHHQSA-N 1 2 304.394 0.275 10 0 DCAELO COc1cc(C[N@@H+]2C[C@H](O)C[C@@H]2CO)c(Br)cn1 ZINC000621271819 397361360 /nfs/dbraw/zinc/36/13/60/397361360.db2.gz UOEQRALSEXHEHI-NXEZZACHSA-N 1 2 317.183 0.780 10 0 DCAELO COc1cc(C[N@H+]2C[C@H](O)C[C@@H]2CO)c(Br)cn1 ZINC000621271819 397361365 /nfs/dbraw/zinc/36/13/65/397361365.db2.gz UOEQRALSEXHEHI-NXEZZACHSA-N 1 2 317.183 0.780 10 0 DCAELO Cc1nnc(CN2CC[NH+](Cc3cccc(C(N)=O)c3)CC2)[nH]1 ZINC000605422749 397664138 /nfs/dbraw/zinc/66/41/38/397664138.db2.gz RXJXITOCQQLIPA-UHFFFAOYSA-N 1 2 314.393 0.530 10 0 DCAELO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000329681548 297090864 /nfs/dbraw/zinc/09/08/64/297090864.db2.gz YJMJKFUBJUVCNZ-AGIUHOORSA-N 1 2 300.424 0.506 10 0 DCAELO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000329681548 297090865 /nfs/dbraw/zinc/09/08/65/297090865.db2.gz YJMJKFUBJUVCNZ-AGIUHOORSA-N 1 2 300.424 0.506 10 0 DCAELO COc1cc(N2CC[NH+]([C@@H]3CCCCNC3=O)CC2)ncn1 ZINC000184068558 286229719 /nfs/dbraw/zinc/22/97/19/286229719.db2.gz ZDSFLOCAJDYJHE-GFCCVEGCSA-N 1 2 305.382 0.276 10 0 DCAELO CC1CCC2(CC(=O)N(C[C@H](O)C[NH+]3CCOCC3)C2=O)CC1 ZINC000069167241 158045027 /nfs/dbraw/zinc/04/50/27/158045027.db2.gz LRLIHNVWEMXIAP-XOYHFGRZSA-N 1 2 324.421 0.635 10 0 DCAELO O=C(C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21)N1CCC2(CC1)OCCO2 ZINC000070693883 158047736 /nfs/dbraw/zinc/04/77/36/158047736.db2.gz GQGBOYHFENWZRO-LSDHHAIUSA-N 1 2 324.421 0.995 10 0 DCAELO O=C(C[N@H+]1CCO[C@@H]2CCCC[C@@H]21)N1CCC2(CC1)OCCO2 ZINC000070693883 158047738 /nfs/dbraw/zinc/04/77/38/158047738.db2.gz GQGBOYHFENWZRO-LSDHHAIUSA-N 1 2 324.421 0.995 10 0 DCAELO O=S(=O)(/C=C/c1ccccc1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000090699024 158104612 /nfs/dbraw/zinc/10/46/12/158104612.db2.gz DTPGSRPREMBMHC-VQCVXAJWSA-N 1 2 307.419 0.577 10 0 DCAELO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000106381965 158133879 /nfs/dbraw/zinc/13/38/79/158133879.db2.gz USWPAURNBLADGW-CQSZACIVSA-N 1 2 319.471 0.496 10 0 DCAELO Cc1nn(C)c(C)c1CC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000114857768 158157759 /nfs/dbraw/zinc/15/77/59/158157759.db2.gz MZZGBQKWWVAGLU-CQSZACIVSA-N 1 2 306.410 0.559 10 0 DCAELO Cc1nn(C)c(C)c1CC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000114857768 158157760 /nfs/dbraw/zinc/15/77/60/158157760.db2.gz MZZGBQKWWVAGLU-CQSZACIVSA-N 1 2 306.410 0.559 10 0 DCAELO NC(=O)c1cccc(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000114855191 158157892 /nfs/dbraw/zinc/15/78/92/158157892.db2.gz PNKNAVUNWMIJCZ-CQSZACIVSA-N 1 2 303.362 0.379 10 0 DCAELO NC(=O)c1cccc(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000114855191 158157894 /nfs/dbraw/zinc/15/78/94/158157894.db2.gz PNKNAVUNWMIJCZ-CQSZACIVSA-N 1 2 303.362 0.379 10 0 DCAELO C[C@H](C(=O)NC1CCCC1)[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116889258 158167398 /nfs/dbraw/zinc/16/73/98/158167398.db2.gz JHUJBAWSBUCSEY-PWSUYJOCSA-N 1 2 303.428 0.057 10 0 DCAELO C[C@H](C(=O)NC1CCCC1)[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116889258 158167400 /nfs/dbraw/zinc/16/74/00/158167400.db2.gz JHUJBAWSBUCSEY-PWSUYJOCSA-N 1 2 303.428 0.057 10 0 DCAELO CCOCC[N@@H+]1CCN(S(=O)(=O)[C@@H](C)COC)C[C@H]1CC ZINC000117925038 158174268 /nfs/dbraw/zinc/17/42/68/158174268.db2.gz HDWKYXUPWOTPTB-UONOGXRCSA-N 1 2 322.471 0.784 10 0 DCAELO CCOCC[N@H+]1CCN(S(=O)(=O)[C@@H](C)COC)C[C@H]1CC ZINC000117925038 158174270 /nfs/dbraw/zinc/17/42/70/158174270.db2.gz HDWKYXUPWOTPTB-UONOGXRCSA-N 1 2 322.471 0.784 10 0 DCAELO CN(C)c1ccccc1NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000118115464 158175792 /nfs/dbraw/zinc/17/57/92/158175792.db2.gz CDFMZPFWLSUJRM-GFCCVEGCSA-N 1 2 320.393 0.138 10 0 DCAELO CN(C)c1ccccc1NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000118115464 158175794 /nfs/dbraw/zinc/17/57/94/158175794.db2.gz CDFMZPFWLSUJRM-GFCCVEGCSA-N 1 2 320.393 0.138 10 0 DCAELO CCc1cnccc1C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000119109035 158182601 /nfs/dbraw/zinc/18/26/01/158182601.db2.gz VLHWSPNILDLCBS-CQSZACIVSA-N 1 2 307.394 0.409 10 0 DCAELO COC(=O)c1[nH]c(C)c(C(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c1C ZINC000121028610 158206830 /nfs/dbraw/zinc/20/68/30/158206830.db2.gz AXIJVVOTTRWWJR-VXGBXAGGSA-N 1 2 321.377 0.573 10 0 DCAELO COC(=O)c1[nH]c(C)c(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1C ZINC000121028610 158206831 /nfs/dbraw/zinc/20/68/31/158206831.db2.gz AXIJVVOTTRWWJR-VXGBXAGGSA-N 1 2 321.377 0.573 10 0 DCAELO CCCC[C@H](NC(=O)NCC)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000125217777 158251959 /nfs/dbraw/zinc/25/19/59/158251959.db2.gz DYRVWNWTWRZJSR-STQMWFEESA-N 1 2 314.430 0.311 10 0 DCAELO CCCC[C@H](NC(=O)NCC)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000125217777 158251961 /nfs/dbraw/zinc/25/19/61/158251961.db2.gz DYRVWNWTWRZJSR-STQMWFEESA-N 1 2 314.430 0.311 10 0 DCAELO COc1ccc(O)c(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000127205753 158271009 /nfs/dbraw/zinc/27/10/09/158271009.db2.gz RJIMNSCKTNHTEK-ZDUSSCGKSA-N 1 2 306.362 0.994 10 0 DCAELO CC(=O)Nc1nc(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cs1 ZINC000127531607 158274101 /nfs/dbraw/zinc/27/41/01/158274101.db2.gz GBWYRGMBTBGBIB-NSHDSACASA-N 1 2 324.406 0.695 10 0 DCAELO CC(=O)Nc1nc(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cs1 ZINC000127531607 158274103 /nfs/dbraw/zinc/27/41/03/158274103.db2.gz GBWYRGMBTBGBIB-NSHDSACASA-N 1 2 324.406 0.695 10 0 DCAELO C[C@@H](CNC(=O)N[C@H](CO)CC(C)(C)C)[NH+]1CCOCC1 ZINC000128304913 158279973 /nfs/dbraw/zinc/27/99/73/158279973.db2.gz NQGXJDQRQMPMCH-STQMWFEESA-N 1 2 301.431 0.803 10 0 DCAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1ccnc2ccccc21 ZINC000129074217 158285406 /nfs/dbraw/zinc/28/54/06/158285406.db2.gz UEOHPBPFZFMOBS-ZDUSSCGKSA-N 1 2 315.373 0.658 10 0 DCAELO C[C@@H]1CN(c2ccc(CNC(=O)N(C)CCO)c[nH+]2)C[C@@H](C)O1 ZINC000129575400 158289645 /nfs/dbraw/zinc/28/96/45/158289645.db2.gz WQZSSDAUKGYPBP-CHWSQXEVSA-N 1 2 322.409 0.829 10 0 DCAELO O=C(Nc1ccon1)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000129861196 158291964 /nfs/dbraw/zinc/29/19/64/158291964.db2.gz JCRMRLPLBFDMSY-LBPRGKRZSA-N 1 2 322.365 0.326 10 0 DCAELO CCCS(=O)(=O)CC(=O)NCc1[nH+]ccn1CC(C)C ZINC000131010325 158298594 /nfs/dbraw/zinc/29/85/94/158298594.db2.gz PGCACUYNONFKTR-UHFFFAOYSA-N 1 2 301.412 0.980 10 0 DCAELO C[C@H](CNC(=O)N1CC[C@@H]2OCCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000133171067 158317085 /nfs/dbraw/zinc/31/70/85/158317085.db2.gz KMBBRZKCBBOBTH-KFWWJZLASA-N 1 2 311.426 0.918 10 0 DCAELO Cc1nn(C)c(C)c1OCC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000133722880 158321575 /nfs/dbraw/zinc/32/15/75/158321575.db2.gz QTHVRIPBMZMFGE-AWEZNQCLSA-N 1 2 322.409 0.395 10 0 DCAELO Cc1nn(C)c(C)c1OCC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000133722880 158321579 /nfs/dbraw/zinc/32/15/79/158321579.db2.gz QTHVRIPBMZMFGE-AWEZNQCLSA-N 1 2 322.409 0.395 10 0 DCAELO CC(C)(O)C[NH+]1CCN(C(=O)[C@@H]2CCCc3[nH]ncc32)CC1 ZINC000135405088 158336703 /nfs/dbraw/zinc/33/67/03/158336703.db2.gz AAONHYKILWUEFO-GFCCVEGCSA-N 1 2 306.410 0.745 10 0 DCAELO CCN(CC)C(=O)C[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135716030 158340344 /nfs/dbraw/zinc/34/03/44/158340344.db2.gz VRSJYLPKPJVMLU-ZDUSSCGKSA-N 1 2 317.455 0.355 10 0 DCAELO CCN(CC)C(=O)C[N@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135716030 158340346 /nfs/dbraw/zinc/34/03/46/158340346.db2.gz VRSJYLPKPJVMLU-ZDUSSCGKSA-N 1 2 317.455 0.355 10 0 DCAELO Cn1c2ccc(NC(=O)NC[C@@H]3C[N@H+](C)CCO3)cc2oc1=O ZINC000150862198 158347846 /nfs/dbraw/zinc/34/78/46/158347846.db2.gz OJEAWBVPLMPSNO-LLVKDONJSA-N 1 2 320.349 0.584 10 0 DCAELO Cn1c2ccc(NC(=O)NC[C@@H]3C[N@@H+](C)CCO3)cc2oc1=O ZINC000150862198 158347847 /nfs/dbraw/zinc/34/78/47/158347847.db2.gz OJEAWBVPLMPSNO-LLVKDONJSA-N 1 2 320.349 0.584 10 0 DCAELO C[N@H+](CC(=O)NC(C)(C)C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000171913592 158388676 /nfs/dbraw/zinc/38/86/76/158388676.db2.gz ZTQPXTOBMRCRSH-SECBINFHSA-N 1 2 309.332 0.996 10 0 DCAELO C[N@@H+](CC(=O)NC(C)(C)C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000171913592 158388677 /nfs/dbraw/zinc/38/86/77/158388677.db2.gz ZTQPXTOBMRCRSH-SECBINFHSA-N 1 2 309.332 0.996 10 0 DCAELO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)[C@H]1Cc2ccccc2O1 ZINC000172354111 158394217 /nfs/dbraw/zinc/39/42/17/158394217.db2.gz OHRKPPYYSWTHMD-GOEBONIOSA-N 1 2 302.374 0.970 10 0 DCAELO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)[C@H]1Cc2ccccc2O1 ZINC000172354111 158394218 /nfs/dbraw/zinc/39/42/18/158394218.db2.gz OHRKPPYYSWTHMD-GOEBONIOSA-N 1 2 302.374 0.970 10 0 DCAELO CCN(CC)C(=O)C[NH+]1CCN(Cc2nc(N(C)C)no2)CC1 ZINC000185238496 158517516 /nfs/dbraw/zinc/51/75/16/158517516.db2.gz IMGRKPWONFMFQV-UHFFFAOYSA-N 1 2 324.429 0.122 10 0 DCAELO CN1CC[C@H](C(=O)N2CC[NH2+][C@H](c3cccnc3)C2)CC1=O ZINC000328636329 159017049 /nfs/dbraw/zinc/01/70/49/159017049.db2.gz AGEITGREZQRHJA-JSGCOSHPSA-N 1 2 302.378 0.423 10 0 DCAELO CN1C(=O)CC[C@H]1C(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000328665250 159018725 /nfs/dbraw/zinc/01/87/25/159018725.db2.gz ZASGKTALPMEJMR-KBPBESRZSA-N 1 2 305.353 0.919 10 0 DCAELO O=C(COC[C@H]1CCOC1)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000328662409 159018920 /nfs/dbraw/zinc/01/89/20/159018920.db2.gz XINHQMOCGUZEGG-ZFWWWQNUSA-N 1 2 305.378 0.608 10 0 DCAELO O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CCC[C@](F)(CO)C1 ZINC000329198095 159072332 /nfs/dbraw/zinc/07/23/32/159072332.db2.gz AGYBUGVYYYZSHS-GDBMZVCRSA-N 1 2 314.401 0.953 10 0 DCAELO O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CCC[C@](F)(CO)C1 ZINC000329198095 159072333 /nfs/dbraw/zinc/07/23/33/159072333.db2.gz AGYBUGVYYYZSHS-GDBMZVCRSA-N 1 2 314.401 0.953 10 0 DCAELO CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)O1 ZINC000329532869 159099637 /nfs/dbraw/zinc/09/96/37/159099637.db2.gz KCHBCVYOXNCIBV-MCIONIFRSA-N 1 2 320.393 0.510 10 0 DCAELO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC000329659521 159110050 /nfs/dbraw/zinc/11/00/50/159110050.db2.gz OCHBWIMLLMEKLW-RDBSUJKOSA-N 1 2 314.451 0.896 10 0 DCAELO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC000329659521 159110053 /nfs/dbraw/zinc/11/00/53/159110053.db2.gz OCHBWIMLLMEKLW-RDBSUJKOSA-N 1 2 314.451 0.896 10 0 DCAELO CCCC(=O)N1CCC[C@H]1C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000329753417 159117092 /nfs/dbraw/zinc/11/70/92/159117092.db2.gz WUJIDKYQHSBDEP-GJZGRUSLSA-N 1 2 323.437 0.711 10 0 DCAELO CO[C@H]1C[NH+](CC(=O)N2CCC(c3ccccc3)=N2)C[C@@H]1OC ZINC000330177550 159148307 /nfs/dbraw/zinc/14/83/07/159148307.db2.gz KVYXPWQCRGBQJI-HOTGVXAUSA-N 1 2 317.389 0.969 10 0 DCAELO CC(C)CN(C(=O)C[N@@H+]1CC[C@H]2OCC(=O)N[C@H]2C1)C1CC1 ZINC000366813759 159289286 /nfs/dbraw/zinc/28/92/86/159289286.db2.gz VNKJGLCFBJGYHK-UONOGXRCSA-N 1 2 309.410 0.223 10 0 DCAELO CC(C)CN(C(=O)C[N@H+]1CC[C@H]2OCC(=O)N[C@H]2C1)C1CC1 ZINC000366813759 159289289 /nfs/dbraw/zinc/28/92/89/159289289.db2.gz VNKJGLCFBJGYHK-UONOGXRCSA-N 1 2 309.410 0.223 10 0 DCAELO C[C@H]1CCCN(C(=O)C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000407988487 160004657 /nfs/dbraw/zinc/00/46/57/160004657.db2.gz HCQNXNXLWOMXOM-ZDUSSCGKSA-N 1 2 319.409 0.312 10 0 DCAELO CN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000408042738 160020363 /nfs/dbraw/zinc/02/03/63/160020363.db2.gz MNGDQEUQFPFCEV-BDAKNGLRSA-N 1 2 308.304 0.105 10 0 DCAELO CN(CC(F)(F)F)C(=O)C[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000408042738 160020365 /nfs/dbraw/zinc/02/03/65/160020365.db2.gz MNGDQEUQFPFCEV-BDAKNGLRSA-N 1 2 308.304 0.105 10 0 DCAELO O=S(=O)(NC1CCN(c2cccc[nH+]2)CC1)N1CCCC1 ZINC000408079990 160031720 /nfs/dbraw/zinc/03/17/20/160031720.db2.gz JEAKVSHREVPLOB-UHFFFAOYSA-N 1 2 310.423 0.981 10 0 DCAELO C[C@H](CNS(=O)(=O)CC(F)(F)F)N1CC[NH+](C)CC1 ZINC000408141302 160046187 /nfs/dbraw/zinc/04/61/87/160046187.db2.gz UFDFNLBAWDCEAU-SECBINFHSA-N 1 2 303.350 0.104 10 0 DCAELO CNC(=O)N[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)C1 ZINC000408258144 160070457 /nfs/dbraw/zinc/07/04/57/160070457.db2.gz VEJSPTJTZBLZGN-REWJHTLYSA-N 1 2 310.442 0.931 10 0 DCAELO CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)C1 ZINC000408258144 160070459 /nfs/dbraw/zinc/07/04/59/160070459.db2.gz VEJSPTJTZBLZGN-REWJHTLYSA-N 1 2 310.442 0.931 10 0 DCAELO CNC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000408257030 160070480 /nfs/dbraw/zinc/07/04/80/160070480.db2.gz NZSFUAYCAYHNQT-NXEZZACHSA-N 1 2 322.331 0.543 10 0 DCAELO CNC(=O)N[C@@H]1CC[N@H+]([C@@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000408257030 160070481 /nfs/dbraw/zinc/07/04/81/160070481.db2.gz NZSFUAYCAYHNQT-NXEZZACHSA-N 1 2 322.331 0.543 10 0 DCAELO Cn1ccnc1C[NH+]1CCC(C(=O)N2C[C@@H](O)C(C)(C)C2)CC1 ZINC000408267048 160072997 /nfs/dbraw/zinc/07/29/97/160072997.db2.gz WMLNUNRXINYRJY-CQSZACIVSA-N 1 2 320.437 0.861 10 0 DCAELO C[N@@H+]1CCO[C@H]2CN(C(=O)c3cccc(NC(N)=O)c3)C[C@H]21 ZINC000408292937 160077748 /nfs/dbraw/zinc/07/77/48/160077748.db2.gz FFPSYZVQQGFQPI-OLZOCXBDSA-N 1 2 304.350 0.332 10 0 DCAELO C[N@H+]1CCO[C@H]2CN(C(=O)c3cccc(NC(N)=O)c3)C[C@H]21 ZINC000408292937 160077751 /nfs/dbraw/zinc/07/77/51/160077751.db2.gz FFPSYZVQQGFQPI-OLZOCXBDSA-N 1 2 304.350 0.332 10 0 DCAELO Cn1c(=O)[nH]cc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1=O ZINC000408401829 160101094 /nfs/dbraw/zinc/10/10/94/160101094.db2.gz FMNWRMMXJUGVIS-VIFPVBQESA-N 1 2 303.322 0.229 10 0 DCAELO CN(C)c1noc(C[NH+]2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)n1 ZINC000408473482 160115658 /nfs/dbraw/zinc/11/56/58/160115658.db2.gz LPIVLGIXDMZEAH-WCQYABFASA-N 1 2 323.397 0.238 10 0 DCAELO COc1cc(C)cc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c1O ZINC000134390345 287016188 /nfs/dbraw/zinc/01/61/88/287016188.db2.gz RXLJRMCXZMBRKJ-OCCSQVGLSA-N 1 2 306.362 0.864 10 0 DCAELO COc1cc(C)cc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c1O ZINC000134390345 287016189 /nfs/dbraw/zinc/01/61/89/287016189.db2.gz RXLJRMCXZMBRKJ-OCCSQVGLSA-N 1 2 306.362 0.864 10 0 DCAELO C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247201228 287092061 /nfs/dbraw/zinc/09/20/61/287092061.db2.gz TUWSSFBFYVBXSG-DGCLKSJQSA-N 1 2 317.455 0.447 10 0 DCAELO C[C@H](C(=O)NC1CCCCC1)[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247201228 287092062 /nfs/dbraw/zinc/09/20/62/287092062.db2.gz TUWSSFBFYVBXSG-DGCLKSJQSA-N 1 2 317.455 0.447 10 0 DCAELO COc1ccc2c(c1)N(C[C@@H](O)C[NH+]1CCOCC1)C[C@H](C)O2 ZINC000247548977 287094529 /nfs/dbraw/zinc/09/45/29/287094529.db2.gz PSOPQKILPBQFGS-KBPBESRZSA-N 1 2 322.405 0.976 10 0 DCAELO CCOCC[N@@H+]1CCN(S(=O)(=O)[C@@H]2CCO[C@H]2C)C[C@H]1C ZINC000248926993 287103584 /nfs/dbraw/zinc/10/35/84/287103584.db2.gz LSCYELVEJSZPHS-HZSPNIEDSA-N 1 2 320.455 0.536 10 0 DCAELO CCOCC[N@H+]1CCN(S(=O)(=O)[C@@H]2CCO[C@H]2C)C[C@H]1C ZINC000248926993 287103587 /nfs/dbraw/zinc/10/35/87/287103587.db2.gz LSCYELVEJSZPHS-HZSPNIEDSA-N 1 2 320.455 0.536 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)N2CCC[C@H]2C)C[C@H]1C ZINC000248695603 287100288 /nfs/dbraw/zinc/10/02/88/287100288.db2.gz JPASBIDBDNCZTJ-UPJWGTAASA-N 1 2 305.444 0.102 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)N2CCC[C@H]2C)C[C@H]1C ZINC000248695603 287100290 /nfs/dbraw/zinc/10/02/90/287100290.db2.gz JPASBIDBDNCZTJ-UPJWGTAASA-N 1 2 305.444 0.102 10 0 DCAELO CCCC[N@H+](CC(N)=O)CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000249722381 287117757 /nfs/dbraw/zinc/11/77/57/287117757.db2.gz NMIFUYBPFLFFEP-KGLIPLIRSA-N 1 2 311.426 0.744 10 0 DCAELO CCCC[N@@H+](CC(N)=O)CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000249722381 287117758 /nfs/dbraw/zinc/11/77/58/287117758.db2.gz NMIFUYBPFLFFEP-KGLIPLIRSA-N 1 2 311.426 0.744 10 0 DCAELO COCCN1CC[N@H+](C[C@H](O)COc2ccc(C)cc2)CC1=O ZINC000091834664 415540738 /nfs/dbraw/zinc/54/07/38/415540738.db2.gz UWECKEVJWZAZPV-HNNXBMFYSA-N 1 2 322.405 0.525 10 0 DCAELO COCCN1CC[N@@H+](C[C@H](O)COc2ccc(C)cc2)CC1=O ZINC000091834664 415540751 /nfs/dbraw/zinc/54/07/51/415540751.db2.gz UWECKEVJWZAZPV-HNNXBMFYSA-N 1 2 322.405 0.525 10 0 DCAELO C[C@@H]1C[C@@H](NC(=O)N[C@H]2COC[C@H]2n2ccnn2)c2[nH+]ccn21 ZINC000333620809 415696986 /nfs/dbraw/zinc/69/69/86/415696986.db2.gz UEMDAQOKOFOIBP-WISYIIOYSA-N 1 2 317.353 0.420 10 0 DCAELO C[C@@H](C(=O)N[C@H]1CCc2ccccc2C1=O)N1CC[NH+](C)CC1 ZINC000333759285 415730262 /nfs/dbraw/zinc/73/02/62/415730262.db2.gz VHUFMMAPBZXPSI-BBRMVZONSA-N 1 2 315.417 0.936 10 0 DCAELO COC(=O)c1c(C)[nH]c(C(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c1C ZINC000124195767 415849235 /nfs/dbraw/zinc/84/92/35/415849235.db2.gz IOUFUZAOEVGIJU-VXGBXAGGSA-N 1 2 321.377 0.573 10 0 DCAELO COC(=O)c1c(C)[nH]c(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1C ZINC000124195767 415849240 /nfs/dbraw/zinc/84/92/40/415849240.db2.gz IOUFUZAOEVGIJU-VXGBXAGGSA-N 1 2 321.377 0.573 10 0 DCAELO CCN(CC)C(=O)CCC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000154926624 415991883 /nfs/dbraw/zinc/99/18/83/415991883.db2.gz PGQZMAIUKIHICV-AWEZNQCLSA-N 1 2 311.426 0.614 10 0 DCAELO CCN(CC)C(=O)CCC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000154926624 415991885 /nfs/dbraw/zinc/99/18/85/415991885.db2.gz PGQZMAIUKIHICV-AWEZNQCLSA-N 1 2 311.426 0.614 10 0 DCAELO CN(C)c1[nH+]cccc1CNC(=O)C(C)(C)NS(C)(=O)=O ZINC000173091545 416052836 /nfs/dbraw/zinc/05/28/36/416052836.db2.gz WBUUNBFEZOXWKA-UHFFFAOYSA-N 1 2 314.411 0.092 10 0 DCAELO CCOCCOCC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000173877916 416068720 /nfs/dbraw/zinc/06/87/20/416068720.db2.gz HKSVSBAAFXOQNP-KGLIPLIRSA-N 1 2 300.399 0.219 10 0 DCAELO CO[C@@H]1C[C@@H](CO)[N@H+](CC(=O)Nc2nc3c(s2)CCC3)C1 ZINC000344880793 416003124 /nfs/dbraw/zinc/00/31/24/416003124.db2.gz UVQOELIPDBJPAA-VHSXEESVSA-N 1 2 311.407 0.652 10 0 DCAELO CO[C@@H]1C[C@@H](CO)[N@@H+](CC(=O)Nc2nc3c(s2)CCC3)C1 ZINC000344880793 416003125 /nfs/dbraw/zinc/00/31/25/416003125.db2.gz UVQOELIPDBJPAA-VHSXEESVSA-N 1 2 311.407 0.652 10 0 DCAELO C[C@@H]1CN(C(=O)C[NH+]2CCN(c3cccnn3)CC2)C[C@H](C)O1 ZINC000170650022 416027659 /nfs/dbraw/zinc/02/76/59/416027659.db2.gz GOCOJRCXBYXKRY-OKILXGFUSA-N 1 2 319.409 0.234 10 0 DCAELO CCOCCCNC(=O)[C@H](C)[NH+]1CCN(c2cccnn2)CC1 ZINC000170649398 416027867 /nfs/dbraw/zinc/02/78/67/416027867.db2.gz HBIUPKRCBUOHDD-AWEZNQCLSA-N 1 2 321.425 0.530 10 0 DCAELO C[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000170821860 416033789 /nfs/dbraw/zinc/03/37/89/416033789.db2.gz KJDKOLFVSSQWNQ-SWLSCSKDSA-N 1 2 317.389 0.982 10 0 DCAELO Cc1cc(N2CC[C@H]([N@@H+](C)CC(=O)NC(C)C)C2=O)n(C)n1 ZINC000175499115 416107890 /nfs/dbraw/zinc/10/78/90/416107890.db2.gz RSGACLWBOJKICU-LBPRGKRZSA-N 1 2 307.398 0.290 10 0 DCAELO Cc1cc(N2CC[C@H]([N@H+](C)CC(=O)NC(C)C)C2=O)n(C)n1 ZINC000175499115 416107893 /nfs/dbraw/zinc/10/78/93/416107893.db2.gz RSGACLWBOJKICU-LBPRGKRZSA-N 1 2 307.398 0.290 10 0 DCAELO CCN1CCN(C(=O)Nc2ccn(C)n2)C[C@@H]1c1[nH+]ccn1C ZINC000328617678 416123639 /nfs/dbraw/zinc/12/36/39/416123639.db2.gz CZQNECUCYIBCOX-GFCCVEGCSA-N 1 2 317.397 1.064 10 0 DCAELO Cc1cc[nH]c(=O)c1C(=O)N1CCN(C)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000328616248 416123987 /nfs/dbraw/zinc/12/39/87/416123987.db2.gz BMUYWGSICOJVKM-LLVKDONJSA-N 1 2 301.350 0.948 10 0 DCAELO O=C(N[C@H]1CC(=O)N(C2CC2)C1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177597568 416148304 /nfs/dbraw/zinc/14/83/04/416148304.db2.gz LNIGFRKXZIEODC-GXTWGEPZSA-N 1 2 317.393 0.820 10 0 DCAELO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1cc2ccccc2c(=O)[nH]1 ZINC000178642038 416168084 /nfs/dbraw/zinc/16/80/84/416168084.db2.gz JCWARZUPHKVPTO-ZDUSSCGKSA-N 1 2 312.373 0.258 10 0 DCAELO O=C(C[N@H+]1C[C@H](O)C[C@@H]1CO)Nc1ccccc1OC(F)F ZINC000179170029 416183348 /nfs/dbraw/zinc/18/33/48/416183348.db2.gz UTWZOPAOIBTLTR-NXEZZACHSA-N 1 2 316.304 0.654 10 0 DCAELO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1CO)Nc1ccccc1OC(F)F ZINC000179170029 416183351 /nfs/dbraw/zinc/18/33/51/416183351.db2.gz UTWZOPAOIBTLTR-NXEZZACHSA-N 1 2 316.304 0.654 10 0 DCAELO CCc1nn(C)cc1C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000180325028 416195582 /nfs/dbraw/zinc/19/55/82/416195582.db2.gz UFVNBKNGAHSIQN-WFASDCNBSA-N 1 2 306.410 0.775 10 0 DCAELO Cc1cc(N2CC[NH+]([C@H](C)C(=O)NC[C@@H]3CCCO3)CC2)n[nH]1 ZINC000187192140 416261513 /nfs/dbraw/zinc/26/15/13/416261513.db2.gz UQCUVIXRKDWIBZ-KGLIPLIRSA-N 1 2 321.425 0.524 10 0 DCAELO CCc1noc(C)c1NC(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000189402262 416266106 /nfs/dbraw/zinc/26/61/06/416266106.db2.gz QIBLWLORTNFSPE-JTQLQIEISA-N 1 2 324.381 0.009 10 0 DCAELO CC(=O)N1CCN(C(=O)C[N@H+](CCO)Cc2ccc(C)o2)CC1 ZINC000331156542 416275284 /nfs/dbraw/zinc/27/52/84/416275284.db2.gz JJDJGGGTTWSGME-UHFFFAOYSA-N 1 2 323.393 0.073 10 0 DCAELO CC(=O)N1CCN(C(=O)C[N@@H+](CCO)Cc2ccc(C)o2)CC1 ZINC000331156542 416275286 /nfs/dbraw/zinc/27/52/86/416275286.db2.gz JJDJGGGTTWSGME-UHFFFAOYSA-N 1 2 323.393 0.073 10 0 DCAELO O=S(=O)(CC[NH2+]Cc1cocn1)NC[C@@H]1CCCCO1 ZINC000192311705 416302786 /nfs/dbraw/zinc/30/27/86/416302786.db2.gz FHFUHGARFIIJHR-LBPRGKRZSA-N 1 2 303.384 0.253 10 0 DCAELO O=C(Nc1ccc(F)cn1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000193368404 416315286 /nfs/dbraw/zinc/31/52/86/416315286.db2.gz NGLZEZOASYGCAD-GFCCVEGCSA-N 1 2 322.340 0.092 10 0 DCAELO CNC(=O)[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000193981344 416320880 /nfs/dbraw/zinc/32/08/80/416320880.db2.gz FZEFUBGLDLIFQF-QWRGUYRKSA-N 1 2 321.343 0.998 10 0 DCAELO CNC(=O)[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000193981344 416320882 /nfs/dbraw/zinc/32/08/82/416320882.db2.gz FZEFUBGLDLIFQF-QWRGUYRKSA-N 1 2 321.343 0.998 10 0 DCAELO COCCCCS(=O)(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194025170 416321883 /nfs/dbraw/zinc/32/18/83/416321883.db2.gz OZOUDACPEJGLRL-OKILXGFUSA-N 1 2 322.471 0.784 10 0 DCAELO COCCCCS(=O)(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194025170 416321886 /nfs/dbraw/zinc/32/18/86/416321886.db2.gz OZOUDACPEJGLRL-OKILXGFUSA-N 1 2 322.471 0.784 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)CCNC(=O)c2ccsc2)C1 ZINC000194629459 416323828 /nfs/dbraw/zinc/32/38/28/416323828.db2.gz IMDXOQPNMBGNDK-LBPRGKRZSA-N 1 2 311.407 0.315 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)CCNC(=O)c2ccsc2)C1 ZINC000194629459 416323829 /nfs/dbraw/zinc/32/38/29/416323829.db2.gz IMDXOQPNMBGNDK-LBPRGKRZSA-N 1 2 311.407 0.315 10 0 DCAELO CC(=O)c1cc(C(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)n(C)c1 ZINC000416288286 416363280 /nfs/dbraw/zinc/36/32/80/416363280.db2.gz DAVHAMBWRJQZKF-RYUDHWBXSA-N 1 2 307.394 0.755 10 0 DCAELO CC(=O)c1cc(C(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)n(C)c1 ZINC000416288286 416363281 /nfs/dbraw/zinc/36/32/81/416363281.db2.gz DAVHAMBWRJQZKF-RYUDHWBXSA-N 1 2 307.394 0.755 10 0 DCAELO COC1(CNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CCC1 ZINC000583340612 416462410 /nfs/dbraw/zinc/46/24/10/416462410.db2.gz JCEBFPWHJNYKQJ-UHFFFAOYSA-N 1 2 302.334 0.958 10 0 DCAELO C[N@@H+]1CCO[C@H]2CN(CCN3C(=O)c4ccccc4C3=O)C[C@H]21 ZINC000532878311 416463695 /nfs/dbraw/zinc/46/36/95/416463695.db2.gz BHCLOBJVBHGQPC-CABCVRRESA-N 1 2 315.373 0.297 10 0 DCAELO C[N@H+]1CCO[C@H]2CN(CCN3C(=O)c4ccccc4C3=O)C[C@H]21 ZINC000532878311 416463702 /nfs/dbraw/zinc/46/37/02/416463702.db2.gz BHCLOBJVBHGQPC-CABCVRRESA-N 1 2 315.373 0.297 10 0 DCAELO Cc1cc(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c(C)[nH]1 ZINC000596041563 416576357 /nfs/dbraw/zinc/57/63/57/416576357.db2.gz OBPFOGFNIFLSDW-UHFFFAOYSA-N 1 2 317.393 1.413 10 0 DCAELO CC(C)(C)n1cnc(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)n1 ZINC000547667469 416681821 /nfs/dbraw/zinc/68/18/21/416681821.db2.gz DRWIMPXMRDEAPC-SNVBAGLBSA-N 1 2 303.370 1.366 10 0 DCAELO C[C@H]1CN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC(=O)N1C ZINC000368521610 416664509 /nfs/dbraw/zinc/66/45/09/416664509.db2.gz HEKLVUJKSYMAPA-QWHCGFSZSA-N 1 2 317.393 0.532 10 0 DCAELO CC(=O)N1CCC(NC(=O)C[N@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)CC1 ZINC000446071092 416912077 /nfs/dbraw/zinc/91/20/77/416912077.db2.gz OJLNCAJVHJZTBD-RWMBFGLXSA-N 1 2 311.426 0.611 10 0 DCAELO CC(=O)N1CCC(NC(=O)C[N@@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)CC1 ZINC000446071092 416912085 /nfs/dbraw/zinc/91/20/85/416912085.db2.gz OJLNCAJVHJZTBD-RWMBFGLXSA-N 1 2 311.426 0.611 10 0 DCAELO CCOC(=O)c1ccc([C@H]2CN(S(N)(=O)=O)CC[NH2+]2)cc1 ZINC000616655199 417090785 /nfs/dbraw/zinc/09/07/85/417090785.db2.gz WWGPGANEUWRZRW-GFCCVEGCSA-N 1 2 313.379 0.013 10 0 DCAELO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCc1cncnc1N ZINC000408473994 417164422 /nfs/dbraw/zinc/16/44/22/417164422.db2.gz XKJWDNQYJUGMAN-DGCLKSJQSA-N 1 2 312.377 0.843 10 0 DCAELO CCOC(=O)[C@@H]1C[N@H+](Cc2cc(=O)c(OC)co2)CC12COC2 ZINC000451127350 417302113 /nfs/dbraw/zinc/30/21/13/417302113.db2.gz AHHSVGGEZAKYNG-LBPRGKRZSA-N 1 2 323.345 0.660 10 0 DCAELO CCOC(=O)[C@@H]1C[N@@H+](Cc2cc(=O)c(OC)co2)CC12COC2 ZINC000451127350 417302121 /nfs/dbraw/zinc/30/21/21/417302121.db2.gz AHHSVGGEZAKYNG-LBPRGKRZSA-N 1 2 323.345 0.660 10 0 DCAELO C[C@H]1C[N@H+](Cc2cccc3c2OCCCO3)C[C@@H](C(N)=O)O1 ZINC000628419873 417618467 /nfs/dbraw/zinc/61/84/67/417618467.db2.gz GAZWUDJDEBXMJQ-FZMZJTMJSA-N 1 2 306.362 0.923 10 0 DCAELO C[C@H]1C[N@@H+](Cc2cccc3c2OCCCO3)C[C@@H](C(N)=O)O1 ZINC000628419873 417618470 /nfs/dbraw/zinc/61/84/70/417618470.db2.gz GAZWUDJDEBXMJQ-FZMZJTMJSA-N 1 2 306.362 0.923 10 0 DCAELO COC(=O)c1cc(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c[nH]1 ZINC000456207710 417635312 /nfs/dbraw/zinc/63/53/12/417635312.db2.gz SUJIVQTVYSOXCR-TXEJJXNPSA-N 1 2 307.350 0.394 10 0 DCAELO COC(=O)c1cc(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c[nH]1 ZINC000456207710 417635314 /nfs/dbraw/zinc/63/53/14/417635314.db2.gz SUJIVQTVYSOXCR-TXEJJXNPSA-N 1 2 307.350 0.394 10 0 DCAELO CC[C@@H](NC(=O)NCCc1cn2ccccc2[nH+]1)C(=O)NC ZINC000454239457 287492823 /nfs/dbraw/zinc/49/28/23/287492823.db2.gz JSLPRBWATHXCJO-GFCCVEGCSA-N 1 2 303.366 0.701 10 0 DCAELO COCCc1nsc(N2CCN(Cc3[nH+]ccn3C)CC2)n1 ZINC000301495945 229700447 /nfs/dbraw/zinc/70/04/47/229700447.db2.gz BRVMLXUKPRDCND-UHFFFAOYSA-N 1 2 322.438 0.783 10 0 DCAELO CN(C)c1nc(N)nc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)n1 ZINC000106174195 261108001 /nfs/dbraw/zinc/10/80/01/261108001.db2.gz HQETURCUXRSSDM-NSHDSACASA-N 1 2 317.401 0.024 10 0 DCAELO CN(C)c1nc(N)nc(C[N@H+]2CCC[C@H](Cn3cncn3)C2)n1 ZINC000106174195 261108004 /nfs/dbraw/zinc/10/80/04/261108004.db2.gz HQETURCUXRSSDM-NSHDSACASA-N 1 2 317.401 0.024 10 0 DCAELO CCn1cc[nH+]c1CS(=O)(=O)c1nc2nc(C)cc(C)n2n1 ZINC000195089247 261150424 /nfs/dbraw/zinc/15/04/24/261150424.db2.gz NAYMFRAJUPZVBY-UHFFFAOYSA-N 1 2 320.378 0.931 10 0 DCAELO CC(=O)N1CCOC[C@H]1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000362709014 262064337 /nfs/dbraw/zinc/06/43/37/262064337.db2.gz YDTUTDXKUPYWGJ-ZDUSSCGKSA-N 1 2 302.334 0.198 10 0 DCAELO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](S(C)(=O)=O)C1 ZINC000359613162 271132147 /nfs/dbraw/zinc/13/21/47/271132147.db2.gz ZCJYLHIIVKSGCW-CHWSQXEVSA-N 1 2 302.440 0.896 10 0 DCAELO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](S(C)(=O)=O)C1 ZINC000359613162 271132153 /nfs/dbraw/zinc/13/21/53/271132153.db2.gz ZCJYLHIIVKSGCW-CHWSQXEVSA-N 1 2 302.440 0.896 10 0 DCAELO Cc1cc(C[C@@H](C)NC(=O)NCC[N@@H+]2CCOC[C@@H]2C)[nH]n1 ZINC000487548339 272041294 /nfs/dbraw/zinc/04/12/94/272041294.db2.gz KFLPWGKKRPHSOO-YPMHNXCESA-N 1 2 309.414 0.669 10 0 DCAELO Cc1cc(C[C@@H](C)NC(=O)NCC[N@H+]2CCOC[C@@H]2C)[nH]n1 ZINC000487548339 272041297 /nfs/dbraw/zinc/04/12/97/272041297.db2.gz KFLPWGKKRPHSOO-YPMHNXCESA-N 1 2 309.414 0.669 10 0 DCAELO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1cc[nH+]cc1C ZINC000488579337 272046604 /nfs/dbraw/zinc/04/66/04/272046604.db2.gz IHOGYZKUDHHLGM-MNOVXSKESA-N 1 2 322.365 0.390 10 0 DCAELO COC(=O)C(C)(C)N1CC[NH+]([C@H](C)C(=O)NC(C)(C)C)CC1 ZINC000494443361 272222854 /nfs/dbraw/zinc/22/28/54/272222854.db2.gz BBBUXOQGSFTCNU-GFCCVEGCSA-N 1 2 313.442 0.859 10 0 DCAELO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000494714646 272228739 /nfs/dbraw/zinc/22/87/39/272228739.db2.gz XTEYYSLOFHUBGC-HOTGVXAUSA-N 1 2 316.401 0.760 10 0 DCAELO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000494714646 272228741 /nfs/dbraw/zinc/22/87/41/272228741.db2.gz XTEYYSLOFHUBGC-HOTGVXAUSA-N 1 2 316.401 0.760 10 0 DCAELO CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCO[C@@H](C3CC3)C2)CC1 ZINC000330129718 278036305 /nfs/dbraw/zinc/03/63/05/278036305.db2.gz KDVMUPCVBLRMEV-IUODEOHRSA-N 1 2 309.410 0.176 10 0 DCAELO CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCO[C@@H](C3CC3)C2)CC1 ZINC000330129718 278036306 /nfs/dbraw/zinc/03/63/06/278036306.db2.gz KDVMUPCVBLRMEV-IUODEOHRSA-N 1 2 309.410 0.176 10 0 DCAELO O=C(NC1CC1)c1noc([C@@H]2CCCN2CCn2cc[nH+]c2)n1 ZINC000548025221 288103262 /nfs/dbraw/zinc/10/32/62/288103262.db2.gz ZFBJAKVTGYUTJX-LBPRGKRZSA-N 1 2 316.365 0.995 10 0 DCAELO C[C@@H]1CN(CC(=O)Nc2nncs2)C[C@H]1[NH+]1CCOCC1 ZINC000246625177 288143245 /nfs/dbraw/zinc/14/32/45/288143245.db2.gz ZAWKMDDCTZHXEI-GHMZBOCLSA-N 1 2 311.411 0.129 10 0 DCAELO COc1cnc(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)nc1 ZINC000551196911 288224918 /nfs/dbraw/zinc/22/49/18/288224918.db2.gz CTQFMFHABZLGRM-WCQYABFASA-N 1 2 306.366 0.278 10 0 DCAELO O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N1CCC(CCO)CC1 ZINC000553090616 288286413 /nfs/dbraw/zinc/28/64/13/288286413.db2.gz UXCSWAYJAVRLQU-UHFFFAOYSA-N 1 2 316.361 0.894 10 0 DCAELO CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000556762421 288392029 /nfs/dbraw/zinc/39/20/29/288392029.db2.gz KEPAAQFMWSDYDU-AWEZNQCLSA-N 1 2 302.382 0.939 10 0 DCAELO CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000556762421 288392031 /nfs/dbraw/zinc/39/20/31/288392031.db2.gz KEPAAQFMWSDYDU-AWEZNQCLSA-N 1 2 302.382 0.939 10 0 DCAELO CC[C@@H](CCO)CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000561016669 288523867 /nfs/dbraw/zinc/52/38/67/288523867.db2.gz MYXRBSIWZVEODB-NSHDSACASA-N 1 2 304.350 0.798 10 0 DCAELO C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@@H+]1CCNC(=O)CC1 ZINC000065955261 289376201 /nfs/dbraw/zinc/37/62/01/289376201.db2.gz CORYYGHLWJWSPE-OCCSQVGLSA-N 1 2 317.389 0.837 10 0 DCAELO C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@H+]1CCNC(=O)CC1 ZINC000065955261 289376204 /nfs/dbraw/zinc/37/62/04/289376204.db2.gz CORYYGHLWJWSPE-OCCSQVGLSA-N 1 2 317.389 0.837 10 0 DCAELO Cc1ccc(C)c(S(=O)(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1 ZINC000188726347 533703069 /nfs/dbraw/zinc/70/30/69/533703069.db2.gz POXATWMNPPSZKI-CQSZACIVSA-N 1 2 312.435 0.991 10 0 DCAELO Cc1ccc(C)c(S(=O)(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1 ZINC000188726347 533703077 /nfs/dbraw/zinc/70/30/77/533703077.db2.gz POXATWMNPPSZKI-CQSZACIVSA-N 1 2 312.435 0.991 10 0 DCAELO C/C=C\C[C@@H](CO)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000584444727 337326310 /nfs/dbraw/zinc/32/63/10/337326310.db2.gz QLTRCYIJCFNYSL-DLGQBQFBSA-N 1 2 302.334 0.716 10 0 DCAELO C[C@@H]1CN(C(=O)CSCC(F)(F)F)CC[N@@H+]1CCO ZINC000188798777 534306543 /nfs/dbraw/zinc/30/65/43/534306543.db2.gz RPDYKWNMSHXQPV-SECBINFHSA-N 1 2 300.346 0.807 10 0 DCAELO C[C@@H]1CN(C(=O)CSCC(F)(F)F)CC[N@H+]1CCO ZINC000188798777 534306544 /nfs/dbraw/zinc/30/65/44/534306544.db2.gz RPDYKWNMSHXQPV-SECBINFHSA-N 1 2 300.346 0.807 10 0 DCAELO CCN(C)C(=O)[C@@H](C)NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000187979323 520194604 /nfs/dbraw/zinc/19/46/04/520194604.db2.gz PZVGSHXNIFOBPC-CHWSQXEVSA-N 1 2 307.398 0.924 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2ccnnc2)nc[nH+]1 ZINC000132301251 522570227 /nfs/dbraw/zinc/57/02/27/522570227.db2.gz HIWNOPGSQVKMHX-LBPRGKRZSA-N 1 2 313.365 0.707 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2ccnnc2)[nH+]cn1 ZINC000132301251 522570236 /nfs/dbraw/zinc/57/02/36/522570236.db2.gz HIWNOPGSQVKMHX-LBPRGKRZSA-N 1 2 313.365 0.707 10 0 DCAELO COCCCn1c(C)cc(C(=O)C[N@@H+]2C[C@H](O)C[C@@H]2CO)c1C ZINC000184716753 523498518 /nfs/dbraw/zinc/49/85/18/523498518.db2.gz NZKUREJJJYLRBT-HUUCEWRRSA-N 1 2 324.421 0.752 10 0 DCAELO COCCCn1c(C)cc(C(=O)C[N@H+]2C[C@H](O)C[C@@H]2CO)c1C ZINC000184716753 523498535 /nfs/dbraw/zinc/49/85/35/523498535.db2.gz NZKUREJJJYLRBT-HUUCEWRRSA-N 1 2 324.421 0.752 10 0 DCAELO CC(=O)N1CSC[C@@H]1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000331804544 526677551 /nfs/dbraw/zinc/67/75/51/526677551.db2.gz MJUPEMHEBKGNRF-GFCCVEGCSA-N 1 2 304.375 0.872 10 0 DCAELO O=C1CCN(C[C@H](O)C[NH+]2CCOCC2)c2ccccc2N1 ZINC000121980159 545749455 /nfs/dbraw/zinc/74/94/55/545749455.db2.gz GNSPOYWWNVWDAZ-CYBMUJFWSA-N 1 2 305.378 0.528 10 0 DCAELO COCCC1(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)CCC1 ZINC000132901150 545794992 /nfs/dbraw/zinc/79/49/92/545794992.db2.gz OMSVIIOSXAUPHT-CYBMUJFWSA-N 1 2 300.399 0.003 10 0 DCAELO O=C(NCCc1nccs1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173797546 545883922 /nfs/dbraw/zinc/88/39/22/545883922.db2.gz ZSRJUGBEDABLFW-GFCCVEGCSA-N 1 2 310.423 0.802 10 0 DCAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)Nc1cnn(CC2CC2)c1 ZINC000179886351 545900300 /nfs/dbraw/zinc/90/03/00/545900300.db2.gz HVAVYRJOGYISKZ-CQSZACIVSA-N 1 2 323.397 0.108 10 0 DCAELO COc1cc(N2CC[NH+](CC(=O)N(C)C3CC3)CC2)ncn1 ZINC000184075532 545909278 /nfs/dbraw/zinc/90/92/78/545909278.db2.gz KMHJGENTGYFDPN-UHFFFAOYSA-N 1 2 305.382 0.228 10 0 DCAELO C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)[C@]2(O)CCSC2)C1 ZINC000275510627 545993803 /nfs/dbraw/zinc/99/38/03/545993803.db2.gz AXOCGFKKVHTHIK-WFASDCNBSA-N 1 2 322.434 0.377 10 0 DCAELO C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)[C@]2(O)CCSC2)C1 ZINC000275510627 545993807 /nfs/dbraw/zinc/99/38/07/545993807.db2.gz AXOCGFKKVHTHIK-WFASDCNBSA-N 1 2 322.434 0.377 10 0 DCAELO O=C1CC2(CN(c3ccc(C(F)(F)F)cn3)C2)[NH2+]CCN1 ZINC000606445124 546310632 /nfs/dbraw/zinc/31/06/32/546310632.db2.gz LDSQICULKHHUSU-UHFFFAOYSA-N 1 2 300.284 0.769 10 0 DCAELO COCC[N@@H+]1CC[C@@H](N[C@H]2CON(C(=O)OC(C)(C)C)C2)C1 ZINC000722503555 661283407 /nfs/dbraw/zinc/28/34/07/661283407.db2.gz WCUCOQZZPYHUIG-CHWSQXEVSA-N 1 2 315.414 0.848 10 0 DCAELO COCC[N@H+]1CC[C@@H](N[C@H]2CON(C(=O)OC(C)(C)C)C2)C1 ZINC000722503555 661283408 /nfs/dbraw/zinc/28/34/08/661283408.db2.gz WCUCOQZZPYHUIG-CHWSQXEVSA-N 1 2 315.414 0.848 10 0 DCAELO CCCCN(C(=O)C[C@@H]([NH3+])C(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000724722457 658930223 /nfs/dbraw/zinc/93/02/23/658930223.db2.gz VVJYUFNEVUEVSS-NXEZZACHSA-N 1 2 312.382 0.785 10 0 DCAELO CO[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@@H](Cc3noc(C)n3)C2)C1 ZINC000189124052 659356829 /nfs/dbraw/zinc/35/68/29/659356829.db2.gz HUJCXIJKXZJMMX-QWHCGFSZSA-N 1 2 308.382 0.837 10 0 DCAELO CO[C@@H]1CC(=O)N(C[N@H+]2CCC[C@@H](Cc3noc(C)n3)C2)C1 ZINC000189124052 659356841 /nfs/dbraw/zinc/35/68/41/659356841.db2.gz HUJCXIJKXZJMMX-QWHCGFSZSA-N 1 2 308.382 0.837 10 0 DCAELO C[C@H]1C[N@H+](CCNC(=O)NCCc2ccccc2O)CCO1 ZINC000729606646 662905055 /nfs/dbraw/zinc/90/50/55/662905055.db2.gz RPAWRZZIPPJZOX-ZDUSSCGKSA-N 1 2 307.394 0.955 10 0 DCAELO C[C@H]1C[N@@H+](CCNC(=O)NCCc2ccccc2O)CCO1 ZINC000729606646 662905056 /nfs/dbraw/zinc/90/50/56/662905056.db2.gz RPAWRZZIPPJZOX-ZDUSSCGKSA-N 1 2 307.394 0.955 10 0 DCAELO CCc1nn(C)c(Cl)c1C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000188707730 667456514 /nfs/dbraw/zinc/45/65/14/667456514.db2.gz XGXQARPRCVEQSL-SNVBAGLBSA-N 1 2 314.817 0.775 10 0 DCAELO CCc1nn(C)c(Cl)c1C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000188707730 667456515 /nfs/dbraw/zinc/45/65/15/667456515.db2.gz XGXQARPRCVEQSL-SNVBAGLBSA-N 1 2 314.817 0.775 10 0 DCAELO CCOCCOCC[N@H+](C)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000189234673 670103218 /nfs/dbraw/zinc/10/32/18/670103218.db2.gz WKVHYCDVSOSZGU-KBPBESRZSA-N 1 2 310.394 0.880 10 0 DCAELO CCOCCOCC[N@@H+](C)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000189234673 670103220 /nfs/dbraw/zinc/10/32/20/670103220.db2.gz WKVHYCDVSOSZGU-KBPBESRZSA-N 1 2 310.394 0.880 10 0 DCAELO COC[C@@]1(C)NC(=O)N(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)C1=O ZINC000247028073 685168979 /nfs/dbraw/zinc/16/89/79/685168979.db2.gz NFMUVMNKHZMPKX-IAQYHMDHSA-N 1 2 321.381 0.124 10 0 DCAELO COC[C@@]1(C)NC(=O)N(C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)C1=O ZINC000247028073 685168982 /nfs/dbraw/zinc/16/89/82/685168982.db2.gz NFMUVMNKHZMPKX-IAQYHMDHSA-N 1 2 321.381 0.124 10 0 DCAELO CCCS(=O)(=O)CCN1CC[N@H+](C[C@H](C)O)[C@@H](CC)C1 ZINC000247212939 685170674 /nfs/dbraw/zinc/17/06/74/685170674.db2.gz PYQKJXUATBQLIT-KBPBESRZSA-N 1 2 306.472 0.588 10 0 DCAELO CCCS(=O)(=O)CCN1CC[N@@H+](C[C@H](C)O)[C@@H](CC)C1 ZINC000247212939 685170678 /nfs/dbraw/zinc/17/06/78/685170678.db2.gz PYQKJXUATBQLIT-KBPBESRZSA-N 1 2 306.472 0.588 10 0 DCAELO C[C@@H]([NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1nncn1C ZINC000037293522 1171436686 /nfs/dbraw/zinc/43/66/86/1171436686.db2.gz FBMMRKSNFWVPIH-VHSXEESVSA-N 1 2 309.395 0.874 10 0 DCAELO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)N2CCC[C@@H]2C)CC1 ZINC000185031873 529387935 /nfs/dbraw/zinc/38/79/35/529387935.db2.gz FJXORPOTQICSDO-QWHCGFSZSA-N 1 2 305.444 0.104 10 0 DCAELO CC[C@@H]1CN(S(=O)(=O)N2CCC[C@@H]2C)CC[N@@H+]1CCOC ZINC000184998517 529399981 /nfs/dbraw/zinc/39/99/81/529399981.db2.gz MVXHOXXBOABIOH-UONOGXRCSA-N 1 2 319.471 0.758 10 0 DCAELO CC[C@@H]1CN(S(=O)(=O)N2CCC[C@@H]2C)CC[N@H+]1CCOC ZINC000184998517 529399982 /nfs/dbraw/zinc/39/99/82/529399982.db2.gz MVXHOXXBOABIOH-UONOGXRCSA-N 1 2 319.471 0.758 10 0 DCAELO Cn1cc[nH+]c1[C@H]1CN(C(=O)c2n[nH]c3c2CCC3)CCN1C ZINC000328636872 231272522 /nfs/dbraw/zinc/27/25/22/231272522.db2.gz VSTDQOCBHKJVTN-CYBMUJFWSA-N 1 2 314.393 0.761 10 0 DCAELO CNC(=O)[C@H](NC(=O)NCCCNc1cccc[nH+]1)C(C)C ZINC000178434482 529919648 /nfs/dbraw/zinc/91/96/48/529919648.db2.gz KQWYIXVJARKQRI-CYBMUJFWSA-N 1 2 307.398 0.953 10 0 DCAELO O=C(N[C@@H]1CCc2n[nH]cc2C1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000153912177 295789789 /nfs/dbraw/zinc/78/97/89/295789789.db2.gz HNXKKZUGVZTJOX-ZIAGYGMSSA-N 1 2 319.409 0.383 10 0 DCAELO CC(C)n1ccc(CN2CC[NH+](CC(=O)NC3CC3)CC2)n1 ZINC000172334229 198081489 /nfs/dbraw/zinc/08/14/89/198081489.db2.gz AGYCBIYWVMHBLB-UHFFFAOYSA-N 1 2 305.426 0.860 10 0 DCAELO COc1cc(C(=O)NC[C@H]2C[N@H+](C)CCO2)cc(OC)c1OC ZINC000074773266 191357433 /nfs/dbraw/zinc/35/74/33/191357433.db2.gz GAONINYKWPEGKT-LBPRGKRZSA-N 1 2 324.377 0.773 10 0 DCAELO COc1cc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)cc(OC)c1OC ZINC000074773266 191357435 /nfs/dbraw/zinc/35/74/35/191357435.db2.gz GAONINYKWPEGKT-LBPRGKRZSA-N 1 2 324.377 0.773 10 0 DCAELO C[C@](O)(CNC(=O)c1c(O)cccc1F)C[NH+]1CCOCC1 ZINC000187515361 200122625 /nfs/dbraw/zinc/12/26/25/200122625.db2.gz PJDAYLRRDWXVGC-HNNXBMFYSA-N 1 2 312.341 0.344 10 0 DCAELO COc1ccc(O)cc1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000187444215 200113015 /nfs/dbraw/zinc/11/30/15/200113015.db2.gz CSLSNLFLTTVHBC-GFCCVEGCSA-N 1 2 306.362 0.948 10 0 DCAELO O=C1CCCN1c1cccc(OC[C@H](O)C[NH+]2CCOCC2)c1 ZINC000153692832 291208002 /nfs/dbraw/zinc/20/80/02/291208002.db2.gz DNNWNQXFGVMGJF-OAHLLOKOSA-N 1 2 320.389 0.885 10 0 DCAELO NC(=O)c1ccc(Cl)cc1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000154625135 291214456 /nfs/dbraw/zinc/21/44/56/291214456.db2.gz JUWSODHSERSCJD-NSHDSACASA-N 1 2 314.769 0.511 10 0 DCAELO CN(C)c1ncc(NC(=O)N(C)CC[NH+]2CCOCC2)cn1 ZINC000154681659 291215043 /nfs/dbraw/zinc/21/50/43/291215043.db2.gz GJIATDSOWXVMFC-UHFFFAOYSA-N 1 2 308.386 0.339 10 0 DCAELO Cc1noc([C@H]2C[C@@H](O)C[N@@H+]2C[C@@H](O)COc2ccccc2)n1 ZINC000275267813 212235846 /nfs/dbraw/zinc/23/58/46/212235846.db2.gz IWHCRGMDSZQQPX-UMVBOHGHSA-N 1 2 319.361 0.926 10 0 DCAELO Cc1noc([C@H]2C[C@@H](O)C[N@H+]2C[C@@H](O)COc2ccccc2)n1 ZINC000275267813 212235848 /nfs/dbraw/zinc/23/58/48/212235848.db2.gz IWHCRGMDSZQQPX-UMVBOHGHSA-N 1 2 319.361 0.926 10 0 DCAELO COC(=O)[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCN(C)CC2)C[C@H]1C ZINC000408321901 284043999 /nfs/dbraw/zinc/04/39/99/284043999.db2.gz SDDTWSDYLDOIJJ-HZSPNIEDSA-N 1 2 311.426 0.280 10 0 DCAELO Cc1cc(C)n(-c2ncnc(NCC[NH+]3CCOCC3)c2N)n1 ZINC000040800612 183135553 /nfs/dbraw/zinc/13/55/53/183135553.db2.gz NYKQUSLACCQUIS-UHFFFAOYSA-N 1 2 317.397 0.605 10 0 DCAELO Cc1cccc(S(=O)(=O)N2CC[NH+](CC(N)=S)CC2)c1 ZINC000041566283 183203531 /nfs/dbraw/zinc/20/35/31/183203531.db2.gz MCHFGXYHCYAJOJ-UHFFFAOYSA-N 1 2 313.448 0.587 10 0 DCAELO O=C(N[C@H]1CCO[C@@H](C2CC2)C1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000574357591 291690083 /nfs/dbraw/zinc/69/00/83/291690083.db2.gz CQMGIIVBIZYUEO-DZGCQCFKSA-N 1 2 321.421 0.367 10 0 DCAELO Cc1csc(C2([NH2+]CC(=O)N3CCNC(=O)C3)CCC2)n1 ZINC000273934162 211188697 /nfs/dbraw/zinc/18/86/97/211188697.db2.gz CQFAXYXYZZERFX-UHFFFAOYSA-N 1 2 308.407 0.379 10 0 DCAELO O=C(NC1CC1)C(=O)N1CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000110226264 194316826 /nfs/dbraw/zinc/31/68/26/194316826.db2.gz JGPDLJPVXGGORS-UHFFFAOYSA-N 1 2 315.377 0.281 10 0 DCAELO C[C@@H]1CCCCN1S(=O)(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000328901578 296317195 /nfs/dbraw/zinc/31/71/95/296317195.db2.gz ZGLGKNNOVGEHPO-RDBSUJKOSA-N 1 2 317.455 0.511 10 0 DCAELO C[C@@H]1CCCCN1S(=O)(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000328901578 296317196 /nfs/dbraw/zinc/31/71/96/296317196.db2.gz ZGLGKNNOVGEHPO-RDBSUJKOSA-N 1 2 317.455 0.511 10 0 DCAELO CC[C@@H](C)NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000057413389 184037528 /nfs/dbraw/zinc/03/75/28/184037528.db2.gz BWLMNNABWLEGKP-CYBMUJFWSA-N 1 2 306.414 0.696 10 0 DCAELO CC(C)[N@@H+]1CCn2nc(C(=O)NC[C@@H]3COCCO3)cc2C1 ZINC000065427570 184343736 /nfs/dbraw/zinc/34/37/36/184343736.db2.gz ZNORWGPGWOEDFT-CYBMUJFWSA-N 1 2 308.382 0.252 10 0 DCAELO CC(C)[N@H+]1CCn2nc(C(=O)NC[C@@H]3COCCO3)cc2C1 ZINC000065427570 184343738 /nfs/dbraw/zinc/34/37/38/184343738.db2.gz ZNORWGPGWOEDFT-CYBMUJFWSA-N 1 2 308.382 0.252 10 0 DCAELO CN(C)C(=O)COC[C@H]1CCOC12C[NH+](Cc1ccco1)C2 ZINC000247999112 257112220 /nfs/dbraw/zinc/11/22/20/257112220.db2.gz NFSZDOYGTGMZJX-CYBMUJFWSA-N 1 2 308.378 0.975 10 0 DCAELO O=S(=O)(C1CC1)N1C[C@@H]2OC[C@@H](CNc3cccc[nH+]3)[C@@H]2C1 ZINC000247292795 257120248 /nfs/dbraw/zinc/12/02/48/257120248.db2.gz BKJYYMBSFGTPQE-XBFCOCLRSA-N 1 2 323.418 0.933 10 0 DCAELO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)c1ccn[nH]1 ZINC000275772127 130382169 /nfs/dbraw/zinc/38/21/69/130382169.db2.gz RJIVFNIYBAOPHU-QWRGUYRKSA-N 1 2 306.345 0.486 10 0 DCAELO CCc1nnc(C)cc1C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000283858320 131029856 /nfs/dbraw/zinc/02/98/56/131029856.db2.gz BOIZREOELCMICE-GJZGRUSLSA-N 1 2 304.394 0.893 10 0 DCAELO CCc1nnc(C)cc1C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000283858320 131029857 /nfs/dbraw/zinc/02/98/57/131029857.db2.gz BOIZREOELCMICE-GJZGRUSLSA-N 1 2 304.394 0.893 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)Cn3ncc4ccccc43)C[C@H]21 ZINC000283961391 131036433 /nfs/dbraw/zinc/03/64/33/131036433.db2.gz GNZHIOHRLILDON-CVEARBPZSA-N 1 2 314.389 0.968 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)Cn3ncc4ccccc43)C[C@H]21 ZINC000283961391 131036434 /nfs/dbraw/zinc/03/64/34/131036434.db2.gz GNZHIOHRLILDON-CVEARBPZSA-N 1 2 314.389 0.968 10 0 DCAELO Cn1cc(CCNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)cn1 ZINC000284082893 131046633 /nfs/dbraw/zinc/04/66/33/131046633.db2.gz RFPNYBCJHCKZKM-KGLIPLIRSA-N 1 2 307.398 0.077 10 0 DCAELO Cn1cc(CCNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)cn1 ZINC000284082893 131046634 /nfs/dbraw/zinc/04/66/34/131046634.db2.gz RFPNYBCJHCKZKM-KGLIPLIRSA-N 1 2 307.398 0.077 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3cn4ccccc4n3)C[C@@H]21 ZINC000284486002 131085774 /nfs/dbraw/zinc/08/57/74/131085774.db2.gz MRTJSUJOHUXWMK-LSDHHAIUSA-N 1 2 314.389 0.808 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3cn4ccccc4n3)C[C@@H]21 ZINC000284486002 131085775 /nfs/dbraw/zinc/08/57/75/131085775.db2.gz MRTJSUJOHUXWMK-LSDHHAIUSA-N 1 2 314.389 0.808 10 0 DCAELO Cc1nn(C)cc1[C@H](C)NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000285313813 131156927 /nfs/dbraw/zinc/15/69/27/131156927.db2.gz HRVUGLBYLJBRTH-NILFDRSVSA-N 1 2 321.425 0.904 10 0 DCAELO Cc1nn(C)cc1[C@H](C)NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000285313813 131156928 /nfs/dbraw/zinc/15/69/28/131156928.db2.gz HRVUGLBYLJBRTH-NILFDRSVSA-N 1 2 321.425 0.904 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3nc4ccccn4n3)C[C@@H]21 ZINC000285431654 131167852 /nfs/dbraw/zinc/16/78/52/131167852.db2.gz JFDJMMZPSCMJKR-NWDGAFQWSA-N 1 2 316.365 0.666 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3nc4ccccn4n3)C[C@@H]21 ZINC000285431654 131167853 /nfs/dbraw/zinc/16/78/53/131167853.db2.gz JFDJMMZPSCMJKR-NWDGAFQWSA-N 1 2 316.365 0.666 10 0 DCAELO COc1ccnc(C[N@@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)c1 ZINC000285503826 131175042 /nfs/dbraw/zinc/17/50/42/131175042.db2.gz FNFFUZLGVGFGRA-AWEZNQCLSA-N 1 2 313.423 0.946 10 0 DCAELO COc1ccnc(C[N@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)c1 ZINC000285503826 131175043 /nfs/dbraw/zinc/17/50/43/131175043.db2.gz FNFFUZLGVGFGRA-AWEZNQCLSA-N 1 2 313.423 0.946 10 0 DCAELO COc1cc[nH+]c(CN2CCC[C@H](S(=O)(=O)N(C)C)C2)c1 ZINC000285503826 131175045 /nfs/dbraw/zinc/17/50/45/131175045.db2.gz FNFFUZLGVGFGRA-AWEZNQCLSA-N 1 2 313.423 0.946 10 0 DCAELO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1nnc2n1CCCC2 ZINC000173626248 285556359 /nfs/dbraw/zinc/55/63/59/285556359.db2.gz LOIMWNOVQMQAHR-ZJUUUORDSA-N 1 2 308.386 0.499 10 0 DCAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1ccc(F)cc1F ZINC000032819130 395713761 /nfs/dbraw/zinc/71/37/61/395713761.db2.gz UQTRJNVCMFLIDB-NSHDSACASA-N 1 2 300.305 0.388 10 0 DCAELO Cc1ccc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCOCC2)c(F)c1 ZINC000041601083 395738323 /nfs/dbraw/zinc/73/83/23/395738323.db2.gz QJFIJIBQRVSUBD-LBPRGKRZSA-N 1 2 323.368 0.910 10 0 DCAELO COCCN(CC(F)F)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000103603215 395774727 /nfs/dbraw/zinc/77/47/27/395774727.db2.gz ZWZQKKDWPUQAHA-LLVKDONJSA-N 1 2 309.357 0.630 10 0 DCAELO CC[C@H](C)NC(=O)C[NH+]1CCN(Cc2nnnn2C(C)C)CC1 ZINC000195058968 395814977 /nfs/dbraw/zinc/81/49/77/395814977.db2.gz PDTWOIVKKVRUNL-ZDUSSCGKSA-N 1 2 323.445 0.286 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2cccc(Cl)c2)C1 ZINC000118115555 395860198 /nfs/dbraw/zinc/86/01/98/395860198.db2.gz PCELVQWZPABZOW-LBPRGKRZSA-N 1 2 311.769 0.725 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2cccc(Cl)c2)C1 ZINC000118115555 395860201 /nfs/dbraw/zinc/86/02/01/395860201.db2.gz PCELVQWZPABZOW-LBPRGKRZSA-N 1 2 311.769 0.725 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc(F)c(F)c2)C1 ZINC000118115840 395860284 /nfs/dbraw/zinc/86/02/84/395860284.db2.gz JNJDEAIAUVKJIN-SNVBAGLBSA-N 1 2 313.304 0.350 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc(F)c(F)c2)C1 ZINC000118115840 395860289 /nfs/dbraw/zinc/86/02/89/395860289.db2.gz JNJDEAIAUVKJIN-SNVBAGLBSA-N 1 2 313.304 0.350 10 0 DCAELO CCOC(=O)CCS(=O)(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000115955945 395841361 /nfs/dbraw/zinc/84/13/61/395841361.db2.gz IOUDHUSENHOARN-GFCCVEGCSA-N 1 2 304.412 0.440 10 0 DCAELO CCOC(=O)CCS(=O)(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000115955945 395841366 /nfs/dbraw/zinc/84/13/66/395841366.db2.gz IOUDHUSENHOARN-GFCCVEGCSA-N 1 2 304.412 0.440 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(F)cc3nccnc32)C1 ZINC000194604442 395801553 /nfs/dbraw/zinc/80/15/53/395801553.db2.gz VVZHEHRYZQKZRC-NSHDSACASA-N 1 2 304.325 0.829 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)c2cc(F)cc3nccnc32)C1 ZINC000194604442 395801558 /nfs/dbraw/zinc/80/15/58/395801558.db2.gz VVZHEHRYZQKZRC-NSHDSACASA-N 1 2 304.325 0.829 10 0 DCAELO CC(C)CC(=O)N[C@H](C(=O)NC[C@H]1C[N@H+](C)CCO1)C(C)C ZINC000194607379 395801668 /nfs/dbraw/zinc/80/16/68/395801668.db2.gz RLLDEDNEBXJXIP-ZFWWWQNUSA-N 1 2 313.442 0.620 10 0 DCAELO CC(C)CC(=O)N[C@H](C(=O)NC[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC000194607379 395801671 /nfs/dbraw/zinc/80/16/71/395801671.db2.gz RLLDEDNEBXJXIP-ZFWWWQNUSA-N 1 2 313.442 0.620 10 0 DCAELO CC[NH2+][C@H](C)c1ccc(S(=O)(=O)Nc2nnn(C)n2)cc1 ZINC000127384308 395915044 /nfs/dbraw/zinc/91/50/44/395915044.db2.gz MORLTPZCRAPYOK-SECBINFHSA-N 1 2 310.383 0.681 10 0 DCAELO CC[C@@H](C)NC(=O)CN1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000131904453 395926077 /nfs/dbraw/zinc/92/60/77/395926077.db2.gz ULMJTHLCQKUTBC-ZIAGYGMSSA-N 1 2 310.442 0.187 10 0 DCAELO C[C@@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000273625965 395934356 /nfs/dbraw/zinc/93/43/56/395934356.db2.gz RRKPTPJHWVBIRX-PWSUYJOCSA-N 1 2 307.350 0.171 10 0 DCAELO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CC(=O)NC[C@H]1CCCO1 ZINC000248863860 395998981 /nfs/dbraw/zinc/99/89/81/395998981.db2.gz SMTAAPVHILEONP-BHPKHCPMSA-N 1 2 310.394 0.555 10 0 DCAELO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CC(=O)NC[C@H]1CCCO1 ZINC000248863860 395998984 /nfs/dbraw/zinc/99/89/84/395998984.db2.gz SMTAAPVHILEONP-BHPKHCPMSA-N 1 2 310.394 0.555 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2cccc(Br)n2)C1 ZINC000136738493 395948471 /nfs/dbraw/zinc/94/84/71/395948471.db2.gz HQZUGLFBSXEPPU-VIFPVBQESA-N 1 2 314.183 0.905 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)c2cccc(Br)n2)C1 ZINC000136738493 395948473 /nfs/dbraw/zinc/94/84/73/395948473.db2.gz HQZUGLFBSXEPPU-VIFPVBQESA-N 1 2 314.183 0.905 10 0 DCAELO CC(=O)N1CC[NH+](CCNC(=O)[C@H](C)n2nc(C)cc2C)CC1 ZINC000138530400 395952067 /nfs/dbraw/zinc/95/20/67/395952067.db2.gz ZBZYTZOVIHVQDI-AWEZNQCLSA-N 1 2 321.425 0.341 10 0 DCAELO CCC(=O)N1CC[C@H](C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)C1 ZINC000246563650 395952594 /nfs/dbraw/zinc/95/25/94/395952594.db2.gz XZUFTIMQQRKGCC-KKUMJFAQSA-N 1 2 323.437 0.424 10 0 DCAELO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC(=O)NCc3cccnc3)[C@H]2C1 ZINC000246956623 395962157 /nfs/dbraw/zinc/96/21/57/395962157.db2.gz SMWFNOFHARFZIO-PMPSAXMXSA-N 1 2 319.405 0.966 10 0 DCAELO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC(=O)NCc3cccnc3)[C@H]2C1 ZINC000246956623 395962162 /nfs/dbraw/zinc/96/21/62/395962162.db2.gz SMWFNOFHARFZIO-PMPSAXMXSA-N 1 2 319.405 0.966 10 0 DCAELO CS(=O)(=O)N[C@H]1CC[N@H+](C[C@@H](O)c2c(F)cccc2F)C1 ZINC000247067363 395965386 /nfs/dbraw/zinc/96/53/86/395965386.db2.gz KNHOECWSGOSFKO-JOYOIKCWSA-N 1 2 320.361 0.622 10 0 DCAELO CS(=O)(=O)N[C@H]1CC[N@@H+](C[C@@H](O)c2c(F)cccc2F)C1 ZINC000247067363 395965390 /nfs/dbraw/zinc/96/53/90/395965390.db2.gz KNHOECWSGOSFKO-JOYOIKCWSA-N 1 2 320.361 0.622 10 0 DCAELO C[C@H](OC[C@H]1CCCO1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000247190919 395968524 /nfs/dbraw/zinc/96/85/24/395968524.db2.gz SSUVADASCRUXEZ-RRFJBIMHSA-N 1 2 312.410 0.504 10 0 DCAELO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)[C@H]1CSCCS1 ZINC000247264122 395970342 /nfs/dbraw/zinc/97/03/42/395970342.db2.gz VORLECSLBXAIBF-VXGBXAGGSA-N 1 2 302.465 0.814 10 0 DCAELO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)[C@H]1CSCCS1 ZINC000247264122 395970346 /nfs/dbraw/zinc/97/03/46/395970346.db2.gz VORLECSLBXAIBF-VXGBXAGGSA-N 1 2 302.465 0.814 10 0 DCAELO Cc1ccc(C(N)=O)cc1NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000150781960 395972828 /nfs/dbraw/zinc/97/28/28/395972828.db2.gz FWSDHLAEAHSNOX-LBPRGKRZSA-N 1 2 306.366 0.546 10 0 DCAELO Cc1ccc(C(N)=O)cc1NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000150781960 395972832 /nfs/dbraw/zinc/97/28/32/395972832.db2.gz FWSDHLAEAHSNOX-LBPRGKRZSA-N 1 2 306.366 0.546 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)Nc2cccnc2-n2cncn2)C1 ZINC000150801214 395973407 /nfs/dbraw/zinc/97/34/07/395973407.db2.gz QWVKSCUHQUXWGD-LLVKDONJSA-N 1 2 317.353 0.114 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)Nc2cccnc2-n2cncn2)C1 ZINC000150801214 395973409 /nfs/dbraw/zinc/97/34/09/395973409.db2.gz QWVKSCUHQUXWGD-LLVKDONJSA-N 1 2 317.353 0.114 10 0 DCAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@@]1(O)CCSC1 ZINC000248634199 395992559 /nfs/dbraw/zinc/99/25/59/395992559.db2.gz JMWKNIQXGXUMSW-OCCSQVGLSA-N 1 2 302.440 0.472 10 0 DCAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@@]1(O)CCSC1 ZINC000248634199 395992562 /nfs/dbraw/zinc/99/25/62/395992562.db2.gz JMWKNIQXGXUMSW-OCCSQVGLSA-N 1 2 302.440 0.472 10 0 DCAELO CCS(=O)(=O)NCC[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(=O)OC ZINC000248822153 395997810 /nfs/dbraw/zinc/99/78/10/395997810.db2.gz JMKAASVTHNFTBA-TUAOUCFPSA-N 1 2 304.412 0.199 10 0 DCAELO CCS(=O)(=O)NCC[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(=O)OC ZINC000248822153 395997813 /nfs/dbraw/zinc/99/78/13/395997813.db2.gz JMKAASVTHNFTBA-TUAOUCFPSA-N 1 2 304.412 0.199 10 0 DCAELO COc1ccc(CCC(=O)NC[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000154134330 396031959 /nfs/dbraw/zinc/03/19/59/396031959.db2.gz OHWLYDBZMXWNCE-OAHLLOKOSA-N 1 2 322.405 0.437 10 0 DCAELO Cc1ccc(OCC(=O)NC[C@H](O)C[NH+]2CCOCC2)c(C)c1 ZINC000154139223 396031977 /nfs/dbraw/zinc/03/19/77/396031977.db2.gz IQUPSKSBWCIHQH-HNNXBMFYSA-N 1 2 322.405 0.492 10 0 DCAELO CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000068629819 396060708 /nfs/dbraw/zinc/06/07/08/396060708.db2.gz NQFBMVRSQFKCJM-YNEHKIRRSA-N 1 2 314.430 0.310 10 0 DCAELO CC[C@H](NS(N)(=O)=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000152310298 396005792 /nfs/dbraw/zinc/00/57/92/396005792.db2.gz WGYKKOAYVBCOFQ-UONOGXRCSA-N 1 2 313.423 0.459 10 0 DCAELO CC[C@H](NS(N)(=O)=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000152310298 396005799 /nfs/dbraw/zinc/00/57/99/396005799.db2.gz WGYKKOAYVBCOFQ-UONOGXRCSA-N 1 2 313.423 0.459 10 0 DCAELO O=S(=O)(c1cccc2c1OCCO2)N1CC[NH+](C2CC2)CC1 ZINC000171086085 396106485 /nfs/dbraw/zinc/10/64/85/396106485.db2.gz WSERNQCPVIAFDV-UHFFFAOYSA-N 1 2 324.402 0.927 10 0 DCAELO COCC[N@H+](C)CCNC(=O)c1c[nH]c2nc(C)ccc2c1=O ZINC000171128261 396108134 /nfs/dbraw/zinc/10/81/34/396108134.db2.gz VZBRMOGFISAXOL-UHFFFAOYSA-N 1 2 318.377 0.952 10 0 DCAELO COCC[N@@H+](C)CCNC(=O)c1c[nH]c2nc(C)ccc2c1=O ZINC000171128261 396108136 /nfs/dbraw/zinc/10/81/36/396108136.db2.gz VZBRMOGFISAXOL-UHFFFAOYSA-N 1 2 318.377 0.952 10 0 DCAELO CC(=O)Nc1ccc(F)c(C(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000171286304 396112624 /nfs/dbraw/zinc/11/26/24/396112624.db2.gz ZNLGKCGXIFIUAS-GFCCVEGCSA-N 1 2 309.341 0.845 10 0 DCAELO CC(=O)Nc1ccc(F)c(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000171286304 396112627 /nfs/dbraw/zinc/11/26/27/396112627.db2.gz ZNLGKCGXIFIUAS-GFCCVEGCSA-N 1 2 309.341 0.845 10 0 DCAELO O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCCN(c2cccnn2)CC1 ZINC000263310228 396213023 /nfs/dbraw/zinc/21/30/23/396213023.db2.gz YLDIMZWHIXKDOG-NSHDSACASA-N 1 2 311.336 0.513 10 0 DCAELO O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCN(CC(F)(F)F)CC1 ZINC000262733019 396176270 /nfs/dbraw/zinc/17/62/70/396176270.db2.gz BUPJFTQVSRXNLV-MRVPVSSYSA-N 1 2 301.259 0.690 10 0 DCAELO CCCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000262728946 396176292 /nfs/dbraw/zinc/17/62/92/396176292.db2.gz BGPXWEUFQVKBDE-MNOVXSKESA-N 1 2 303.353 0.748 10 0 DCAELO CC(C)N1C(=O)C[N@H+](CCN2C(=O)NC(C)(C)C2=O)CC1(C)C ZINC000075924830 396190233 /nfs/dbraw/zinc/19/02/33/396190233.db2.gz FRMJFFQKWFMIRM-UHFFFAOYSA-N 1 2 324.425 0.648 10 0 DCAELO CC(C)N1C(=O)C[N@@H+](CCN2C(=O)NC(C)(C)C2=O)CC1(C)C ZINC000075924830 396190235 /nfs/dbraw/zinc/19/02/35/396190235.db2.gz FRMJFFQKWFMIRM-UHFFFAOYSA-N 1 2 324.425 0.648 10 0 DCAELO COc1cccc(OCC[NH+]2CCN([C@@H]3CCNC3=O)CC2)c1 ZINC000178211534 396192036 /nfs/dbraw/zinc/19/20/36/396192036.db2.gz JZCZOPKNSHOKCF-MRXNPFEDSA-N 1 2 319.405 0.580 10 0 DCAELO COc1cccc(OCCN2CC[NH+]([C@@H]3CCNC3=O)CC2)c1 ZINC000178211534 396192041 /nfs/dbraw/zinc/19/20/41/396192041.db2.gz JZCZOPKNSHOKCF-MRXNPFEDSA-N 1 2 319.405 0.580 10 0 DCAELO O=C1NCC[C@H]1[N@@H+]1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000178294677 396193278 /nfs/dbraw/zinc/19/32/78/396193278.db2.gz ANVOSSLOWTWZTJ-CQSZACIVSA-N 1 2 323.418 0.272 10 0 DCAELO O=C1NCC[C@H]1[N@H+]1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000178294677 396193280 /nfs/dbraw/zinc/19/32/80/396193280.db2.gz ANVOSSLOWTWZTJ-CQSZACIVSA-N 1 2 323.418 0.272 10 0 DCAELO O=C(CCNC(=O)[C@H]1CC(F)(F)C[NH2+]1)N1CCCCCC1 ZINC000262950920 396193944 /nfs/dbraw/zinc/19/39/44/396193944.db2.gz JQRYDLXSCMIBSI-LLVKDONJSA-N 1 2 303.353 0.893 10 0 DCAELO Cn1cc([C@@]2(C)CN(C(=O)[C@@H]3CC(F)(F)C[NH2+]3)CCO2)cn1 ZINC000263024371 396198658 /nfs/dbraw/zinc/19/86/58/396198658.db2.gz RFCZDUFEXDJZRS-WCQYABFASA-N 1 2 314.336 0.491 10 0 DCAELO COC(=O)Cn1ncc2c1nc[nH+]c2NC[C@H]1CCC[C@H]1O ZINC000078497796 396246531 /nfs/dbraw/zinc/24/65/31/396246531.db2.gz RJOLQVYISIWDQE-MWLCHTKSSA-N 1 2 305.338 0.572 10 0 DCAELO COc1cccc([C@H](O)CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)c1 ZINC000263318475 396213277 /nfs/dbraw/zinc/21/32/77/396213277.db2.gz ZVHLEYWLZZUUOA-NWDGAFQWSA-N 1 2 300.305 0.842 10 0 DCAELO Cc1cc(NCC(C)(C)[NH+]2CCS(=O)CC2)n2ncnc2n1 ZINC000077210049 396214438 /nfs/dbraw/zinc/21/44/38/396214438.db2.gz FTKHLIVTFTYMHQ-UHFFFAOYSA-N 1 2 322.438 0.688 10 0 DCAELO COCCCCS(=O)(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000184943709 396311934 /nfs/dbraw/zinc/31/19/34/396311934.db2.gz ZYQAOXFFHNRABN-ZDUSSCGKSA-N 1 2 306.428 0.149 10 0 DCAELO COc1cc(N2CC[NH+]([C@H](C)C(=O)NCC(C)C)CC2)ncn1 ZINC000184082236 396284709 /nfs/dbraw/zinc/28/47/09/396284709.db2.gz MJARFENSYBQZRB-CYBMUJFWSA-N 1 2 321.425 0.768 10 0 DCAELO C[C@H]1OCC[C@H]1S(=O)(=O)NCCc1cn2ccccc2[nH+]1 ZINC000184341045 396291010 /nfs/dbraw/zinc/29/10/10/396291010.db2.gz UEBVBSLVCLJQCU-DGCLKSJQSA-N 1 2 309.391 0.974 10 0 DCAELO CC(C)CCOCCNC(=O)C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000185183022 396321207 /nfs/dbraw/zinc/32/12/07/396321207.db2.gz SYDSFPLBKABSCO-INIZCTEOSA-N 1 2 314.426 0.657 10 0 DCAELO CC(C)CCOCCNC(=O)C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000185183022 396321208 /nfs/dbraw/zinc/32/12/08/396321208.db2.gz SYDSFPLBKABSCO-INIZCTEOSA-N 1 2 314.426 0.657 10 0 DCAELO O=C(NCc1cccnc1-n1cc[nH+]c1)NC1(CO)CCC1 ZINC000185349351 396325297 /nfs/dbraw/zinc/32/52/97/396325297.db2.gz OLRNTVUFXZMUQG-UHFFFAOYSA-N 1 2 301.350 0.982 10 0 DCAELO CCOC(=O)c1nn(C)cc1CN1CC[C@H]([NH+]2CCOCC2)C1 ZINC000186191346 396343838 /nfs/dbraw/zinc/34/38/38/396343838.db2.gz FMZZRUFSQRRFGF-AWEZNQCLSA-N 1 2 322.409 0.503 10 0 DCAELO CCOC(=O)c1nn(C)cc1C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000186191346 396343840 /nfs/dbraw/zinc/34/38/40/396343840.db2.gz FMZZRUFSQRRFGF-AWEZNQCLSA-N 1 2 322.409 0.503 10 0 DCAELO CCOC(=O)c1nn(C)cc1C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000186191346 396343843 /nfs/dbraw/zinc/34/38/43/396343843.db2.gz FMZZRUFSQRRFGF-AWEZNQCLSA-N 1 2 322.409 0.503 10 0 DCAELO COCCO[C@@H]1CCN(c2cc(N3CCC[C@@H]3CO)nc[nH+]2)C1 ZINC000186751427 396357056 /nfs/dbraw/zinc/35/70/56/396357056.db2.gz QPMAVEGAXOIMHB-ZIAGYGMSSA-N 1 2 322.409 0.679 10 0 DCAELO COCCO[C@@H]1CCN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)C1 ZINC000186751427 396357058 /nfs/dbraw/zinc/35/70/58/396357058.db2.gz QPMAVEGAXOIMHB-ZIAGYGMSSA-N 1 2 322.409 0.679 10 0 DCAELO Cc1cc(N2CC[NH+](CC(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)n[nH]1 ZINC000187267508 396365906 /nfs/dbraw/zinc/36/59/06/396365906.db2.gz BOTBZLMYZQYBFM-ZIAGYGMSSA-N 1 2 321.425 0.476 10 0 DCAELO CCc1cnc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCO2)s1 ZINC000190494415 396407173 /nfs/dbraw/zinc/40/71/73/396407173.db2.gz LPOQHTIGGDEMNT-SECBINFHSA-N 1 2 312.395 0.091 10 0 DCAELO CCc1cnc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)s1 ZINC000190494415 396407174 /nfs/dbraw/zinc/40/71/74/396407174.db2.gz LPOQHTIGGDEMNT-SECBINFHSA-N 1 2 312.395 0.091 10 0 DCAELO CC(=O)NCC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000192476239 396431321 /nfs/dbraw/zinc/43/13/21/396431321.db2.gz YHKWFAUUQVPICB-TXEJJXNPSA-N 1 2 320.393 0.448 10 0 DCAELO C[C@@]1(CNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)CCCS1 ZINC000580114818 396488908 /nfs/dbraw/zinc/48/89/08/396488908.db2.gz JLQJEDVZMJTDDC-HNNXBMFYSA-N 1 2 311.451 0.695 10 0 DCAELO C[C@@H]1C[C@H](CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CCO1 ZINC000374285072 396652544 /nfs/dbraw/zinc/65/25/44/396652544.db2.gz RQJWKYKERSBWPR-RBSFLKMASA-N 1 2 311.426 0.918 10 0 DCAELO CC[C@H](CCO)CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000561016667 396628347 /nfs/dbraw/zinc/62/83/47/396628347.db2.gz MYXRBSIWZVEODB-LLVKDONJSA-N 1 2 304.350 0.798 10 0 DCAELO COC(=O)c1ccc(C[N@H+](C)CCCS(C)(=O)=O)nc1 ZINC000586768123 396664163 /nfs/dbraw/zinc/66/41/63/396664163.db2.gz GBBUIHQQKBUXDI-UHFFFAOYSA-N 1 2 300.380 0.735 10 0 DCAELO COC(=O)c1ccc(C[N@@H+](C)CCCS(C)(=O)=O)nc1 ZINC000586768123 396664168 /nfs/dbraw/zinc/66/41/68/396664168.db2.gz GBBUIHQQKBUXDI-UHFFFAOYSA-N 1 2 300.380 0.735 10 0 DCAELO CN(Cc1nnc(C2CC2)n1C)[C@@H]1CC[N@@H+]([C@H]2CCOC2=O)C1 ZINC000299754317 396714391 /nfs/dbraw/zinc/71/43/91/396714391.db2.gz RPRZQOAHHLTUMO-OLZOCXBDSA-N 1 2 319.409 0.514 10 0 DCAELO CN(Cc1nnc(C2CC2)n1C)[C@@H]1CC[N@H+]([C@H]2CCOC2=O)C1 ZINC000299754317 396714394 /nfs/dbraw/zinc/71/43/94/396714394.db2.gz RPRZQOAHHLTUMO-OLZOCXBDSA-N 1 2 319.409 0.514 10 0 DCAELO Cn1c(C[N@H+](C)[C@@H]2CCN([C@H]3CCOC3=O)C2)nnc1C1CC1 ZINC000299754317 396714397 /nfs/dbraw/zinc/71/43/97/396714397.db2.gz RPRZQOAHHLTUMO-OLZOCXBDSA-N 1 2 319.409 0.514 10 0 DCAELO Cn1c(C[N@@H+](C)[C@@H]2CCN([C@H]3CCOC3=O)C2)nnc1C1CC1 ZINC000299754317 396714398 /nfs/dbraw/zinc/71/43/98/396714398.db2.gz RPRZQOAHHLTUMO-OLZOCXBDSA-N 1 2 319.409 0.514 10 0 DCAELO COC[C@@H]1CN(c2cc(N3CCC[C@H]3CO)nc[nH+]2)C[C@@H](C)O1 ZINC000302546573 396720554 /nfs/dbraw/zinc/72/05/54/396720554.db2.gz IZDVOGFYRILCQA-RDBSUJKOSA-N 1 2 322.409 0.678 10 0 DCAELO COC[C@@H]1CN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)C[C@@H](C)O1 ZINC000302546573 396720558 /nfs/dbraw/zinc/72/05/58/396720558.db2.gz IZDVOGFYRILCQA-RDBSUJKOSA-N 1 2 322.409 0.678 10 0 DCAELO COC[C@@H](C)OC[C@H](O)C[NH+]1CC(O)(c2ccc(F)cc2)C1 ZINC000375353894 396731467 /nfs/dbraw/zinc/73/14/67/396731467.db2.gz MKHBERXFFKSPTM-IUODEOHRSA-N 1 2 313.369 0.741 10 0 DCAELO O=S(=O)(CCC[NH+]1CCOCC1)NCCOCC1CCC1 ZINC000563660833 396767739 /nfs/dbraw/zinc/76/77/39/396767739.db2.gz ZMHOWHKSPHZIQB-UHFFFAOYSA-N 1 2 320.455 0.445 10 0 DCAELO NC(=O)c1noc([C@H]2CCC[N@@H+]2CCCN2CCOCC2)n1 ZINC000328631942 396827130 /nfs/dbraw/zinc/82/71/30/396827130.db2.gz KZOQBCUCRUCJFE-LLVKDONJSA-N 1 2 309.370 0.028 10 0 DCAELO NC(=O)c1noc([C@H]2CCC[N@H+]2CCCN2CCOCC2)n1 ZINC000328631942 396827134 /nfs/dbraw/zinc/82/71/34/396827134.db2.gz KZOQBCUCRUCJFE-LLVKDONJSA-N 1 2 309.370 0.028 10 0 DCAELO Cc1nnc([C@H]2CCCCN2C[C@H](O)C[NH+]2CCOCC2)[nH]1 ZINC000328636542 396828264 /nfs/dbraw/zinc/82/82/64/396828264.db2.gz CLWJPDYOMJERCT-ZIAGYGMSSA-N 1 2 309.414 0.333 10 0 DCAELO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000625735856 396990748 /nfs/dbraw/zinc/99/07/48/396990748.db2.gz PHJPSCLDYZONFV-KSTCHIGDSA-N 1 2 311.426 0.644 10 0 DCAELO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000625735856 396990751 /nfs/dbraw/zinc/99/07/51/396990751.db2.gz PHJPSCLDYZONFV-KSTCHIGDSA-N 1 2 311.426 0.644 10 0 DCAELO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000377066480 397026277 /nfs/dbraw/zinc/02/62/77/397026277.db2.gz IQGQXXOCDGCKPB-ZDUSSCGKSA-N 1 2 313.361 0.967 10 0 DCAELO Cc1[nH]c[nH+]c1CC(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000377066480 397026280 /nfs/dbraw/zinc/02/62/80/397026280.db2.gz IQGQXXOCDGCKPB-ZDUSSCGKSA-N 1 2 313.361 0.967 10 0 DCAELO c1c(CNCC[NH+]2CCSCC2)nnn1C[C@H]1CCOC1 ZINC000631069953 397164830 /nfs/dbraw/zinc/16/48/30/397164830.db2.gz JPDIOZKCWIPNLU-CYBMUJFWSA-N 1 2 311.455 0.453 10 0 DCAELO Cc1ccn(C)c1C(=O)N1CCO[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000364755171 397244761 /nfs/dbraw/zinc/24/47/61/397244761.db2.gz NKCKDPVBPHZQPU-HNNXBMFYSA-N 1 2 320.437 0.422 10 0 DCAELO Cc1noc(CN2CC[NH+](CC(=O)N3CCC(C)CC3)CC2)n1 ZINC000407964134 397338780 /nfs/dbraw/zinc/33/87/80/397338780.db2.gz RSSSJQUOTWGVEO-UHFFFAOYSA-N 1 2 321.425 0.754 10 0 DCAELO O=C(c1ccnnc1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000478899760 397457681 /nfs/dbraw/zinc/45/76/81/397457681.db2.gz KGQBINRYFKFYET-CQSZACIVSA-N 1 2 306.366 0.040 10 0 DCAELO CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2cc[nH]n2)CC1 ZINC000370603164 397508146 /nfs/dbraw/zinc/50/81/46/397508146.db2.gz SRFZNPOWTWXTCC-AWEZNQCLSA-N 1 2 305.382 0.237 10 0 DCAELO CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@H]2c2cc[nH]n2)CC1 ZINC000370603164 397508150 /nfs/dbraw/zinc/50/81/50/397508150.db2.gz SRFZNPOWTWXTCC-AWEZNQCLSA-N 1 2 305.382 0.237 10 0 DCAELO COC[C@@H](CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)OC ZINC000579750096 397592058 /nfs/dbraw/zinc/59/20/58/397592058.db2.gz ANIZNAPYUPDESQ-LLVKDONJSA-N 1 2 306.322 0.050 10 0 DCAELO CS(=O)(=O)N1CCN(C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000606582600 397684068 /nfs/dbraw/zinc/68/40/68/397684068.db2.gz WGHSZJNZAPNUIJ-UHFFFAOYSA-N 1 2 323.378 0.443 10 0 DCAELO C[C@H]1CN(S(=O)(=O)NCCCn2cc[nH+]c2)C[C@H](C)O1 ZINC000048311818 158005851 /nfs/dbraw/zinc/00/58/51/158005851.db2.gz SHUBCRLHJFXZEQ-RYUDHWBXSA-N 1 2 302.400 0.217 10 0 DCAELO CCCC[C@H](NC(N)=O)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000065584358 158034626 /nfs/dbraw/zinc/03/46/26/158034626.db2.gz GYRXJZRRNXVFEH-RYUDHWBXSA-N 1 2 300.403 0.050 10 0 DCAELO CCCNC(=O)[C@@H](C)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000105869521 158130948 /nfs/dbraw/zinc/13/09/48/158130948.db2.gz VSPLIZIMQRJWCD-CQSZACIVSA-N 1 2 307.442 0.843 10 0 DCAELO CN(C)c1[nH+]cccc1CNC(=O)Nc1ccc(C(N)=O)nc1 ZINC000118993087 158180881 /nfs/dbraw/zinc/18/08/81/158180881.db2.gz NPSHGGBKNCRONX-UHFFFAOYSA-N 1 2 314.349 0.963 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)CCCc2nc(C3CC3)no2)C1 ZINC000120220276 158195107 /nfs/dbraw/zinc/19/51/07/158195107.db2.gz YPCCODPFJFXQQF-GFCCVEGCSA-N 1 2 308.382 0.717 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)CCCc2nc(C3CC3)no2)C1 ZINC000120220276 158195110 /nfs/dbraw/zinc/19/51/10/158195110.db2.gz YPCCODPFJFXQQF-GFCCVEGCSA-N 1 2 308.382 0.717 10 0 DCAELO CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000121914361 158216643 /nfs/dbraw/zinc/21/66/43/158216643.db2.gz JVFTVCKVKOZVEK-NEPJUHHUSA-N 1 2 323.397 0.371 10 0 DCAELO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)N2CCCCCC2)C[C@H]1C ZINC000122385496 158221029 /nfs/dbraw/zinc/22/10/29/158221029.db2.gz CUMXQCYCUBSXMP-ZIAGYGMSSA-N 1 2 319.471 0.494 10 0 DCAELO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)N2CCCCCC2)C[C@H]1C ZINC000122385496 158221030 /nfs/dbraw/zinc/22/10/30/158221030.db2.gz CUMXQCYCUBSXMP-ZIAGYGMSSA-N 1 2 319.471 0.494 10 0 DCAELO O=S(=O)(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1cccs1 ZINC000123603360 158231942 /nfs/dbraw/zinc/23/19/42/158231942.db2.gz BDHAZJWXQCOEQM-LLVKDONJSA-N 1 2 302.421 0.890 10 0 DCAELO O=S(=O)(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1cccs1 ZINC000123603360 158231944 /nfs/dbraw/zinc/23/19/44/158231944.db2.gz BDHAZJWXQCOEQM-LLVKDONJSA-N 1 2 302.421 0.890 10 0 DCAELO C[C@H](CNC(=O)NCCCN1CCCC1=O)[NH+]1CCOCC1 ZINC000125001923 158249181 /nfs/dbraw/zinc/24/91/81/158249181.db2.gz NPBSQDHHCPKNAT-CYBMUJFWSA-N 1 2 312.414 0.019 10 0 DCAELO C[C@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+]1CCNC(=O)CC1 ZINC000126147683 158261667 /nfs/dbraw/zinc/26/16/67/158261667.db2.gz YWGFFEBNURITMG-KBPBESRZSA-N 1 2 311.426 0.520 10 0 DCAELO C[C@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+]1CCNC(=O)CC1 ZINC000126147683 158261670 /nfs/dbraw/zinc/26/16/70/158261670.db2.gz YWGFFEBNURITMG-KBPBESRZSA-N 1 2 311.426 0.520 10 0 DCAELO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCNC(=O)CC2)c1 ZINC000126185294 158264111 /nfs/dbraw/zinc/26/41/11/158264111.db2.gz NOYYIDFWZKQJDK-LLVKDONJSA-N 1 2 318.377 0.794 10 0 DCAELO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@H+]2CCNC(=O)CC2)c1 ZINC000126185294 158264114 /nfs/dbraw/zinc/26/41/14/158264114.db2.gz NOYYIDFWZKQJDK-LLVKDONJSA-N 1 2 318.377 0.794 10 0 DCAELO O=C(CCOC[C@H]1CCCO1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000127326439 158273002 /nfs/dbraw/zinc/27/30/02/158273002.db2.gz QOGQXWGDIFKIFN-HUUCEWRRSA-N 1 2 312.410 0.552 10 0 DCAELO O=C(CCOC[C@H]1CCCO1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000127326439 158273004 /nfs/dbraw/zinc/27/30/04/158273004.db2.gz QOGQXWGDIFKIFN-HUUCEWRRSA-N 1 2 312.410 0.552 10 0 DCAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1csc(C2CC2)n1 ZINC000132295273 158309524 /nfs/dbraw/zinc/30/95/24/158309524.db2.gz HDMGLEKQBCFKKW-NSHDSACASA-N 1 2 311.407 0.443 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)N(C)CCCn2cc[nH+]c2)[C@H](C)CO1 ZINC000134537226 158327378 /nfs/dbraw/zinc/32/73/78/158327378.db2.gz 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/nfs/dbraw/zinc/02/58/53/159025853.db2.gz KZCBQEGCTRUQJC-JTQLQIEISA-N 1 2 302.338 0.949 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(S(=O)(=O)CC[C@H]3CCOC3)C[C@H]21 ZINC000328838853 159033293 /nfs/dbraw/zinc/03/32/93/159033293.db2.gz NPEHLJYNCSPWAQ-MGPQQGTHSA-N 1 2 318.439 0.148 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(S(=O)(=O)CC[C@H]3CCOC3)C[C@H]21 ZINC000328838853 159033296 /nfs/dbraw/zinc/03/32/96/159033296.db2.gz NPEHLJYNCSPWAQ-MGPQQGTHSA-N 1 2 318.439 0.148 10 0 DCAELO CC(C)[C@H](C(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1)N1CCCC1=O ZINC000328888953 159037579 /nfs/dbraw/zinc/03/75/79/159037579.db2.gz QNOMTPNKYNFMDE-IIAWOOMASA-N 1 2 323.437 0.565 10 0 DCAELO CC(C)[C@H](C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1)N1CCCC1=O ZINC000328888953 159037583 /nfs/dbraw/zinc/03/75/83/159037583.db2.gz QNOMTPNKYNFMDE-IIAWOOMASA-N 1 2 323.437 0.565 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)CSc3nncs3)C[C@@H]21 ZINC000328915035 159041258 /nfs/dbraw/zinc/04/12/58/159041258.db2.gz QOUFYDRYHDLTGT-UWVGGRQHSA-N 1 2 314.436 0.562 10 0 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/nfs/dbraw/zinc/04/33/38/159043338.db2.gz DHXKFUZBFZUAFT-LSDHHAIUSA-N 1 2 306.362 0.703 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)COc3ccc(O)cc3)C[C@@H]21 ZINC000328932294 159043339 /nfs/dbraw/zinc/04/33/39/159043339.db2.gz DHXKFUZBFZUAFT-LSDHHAIUSA-N 1 2 306.362 0.703 10 0 DCAELO Cc1nc(C[C@H]2CCCN(C(=O)[C@@H](C)[NH+]3CCOCC3)C2)no1 ZINC000328958150 159047434 /nfs/dbraw/zinc/04/74/34/159047434.db2.gz OJQLNORTTJRQIU-TZMCWYRMSA-N 1 2 322.409 0.880 10 0 DCAELO O=C(CN1CCn2cc[nH+]c2C1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000329350873 159084922 /nfs/dbraw/zinc/08/49/22/159084922.db2.gz TXXFBBVHXSROIK-UONOGXRCSA-N 1 2 304.394 0.869 10 0 DCAELO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)[C@H]1CC12CCS(=O)(=O)CC2 ZINC000329383012 159087197 /nfs/dbraw/zinc/08/71/97/159087197.db2.gz OSUXSQKXNPGVIG-FRRDWIJNSA-N 1 2 314.451 0.752 10 0 DCAELO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)[C@H]1CC12CCS(=O)(=O)CC2 ZINC000329383012 159087200 /nfs/dbraw/zinc/08/72/00/159087200.db2.gz OSUXSQKXNPGVIG-FRRDWIJNSA-N 1 2 314.451 0.752 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)CCC2(C)CC2)C[C@H]1C ZINC000329447847 159093608 /nfs/dbraw/zinc/09/36/08/159093608.db2.gz OEFNYFVOZDNPFR-OLZOCXBDSA-N 1 2 304.456 0.893 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)CCC2(C)CC2)C[C@H]1C ZINC000329447847 159093609 /nfs/dbraw/zinc/09/36/09/159093609.db2.gz OEFNYFVOZDNPFR-OLZOCXBDSA-N 1 2 304.456 0.893 10 0 DCAELO Cn1c(=O)[nH]cc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1=O ZINC000329916987 159128289 /nfs/dbraw/zinc/12/82/89/159128289.db2.gz ZDBPNQTXNHPUFG-LLVKDONJSA-N 1 2 316.317 0.174 10 0 DCAELO CN(C)C(=O)CC[NH+]1CCN(C(=O)C2CCC(=O)CC2)CC1 ZINC000329934992 159130153 /nfs/dbraw/zinc/13/01/53/159130153.db2.gz QVAQNCVGLPXQGN-UHFFFAOYSA-N 1 2 309.410 0.368 10 0 DCAELO C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)[C@@H]2[C@H]3CCCO[C@H]32)C1 ZINC000330096498 159141763 /nfs/dbraw/zinc/14/17/63/159141763.db2.gz XMDVXPJTPYFNSX-RRCSTGOVSA-N 1 2 316.405 0.934 10 0 DCAELO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)[C@@H]2[C@H]3CCCO[C@H]32)C1 ZINC000330096498 159141765 /nfs/dbraw/zinc/14/17/65/159141765.db2.gz XMDVXPJTPYFNSX-RRCSTGOVSA-N 1 2 316.405 0.934 10 0 DCAELO NC(=O)[C@@]1(O)CCC[N@H+](Cc2nccn2Cc2ccccc2)C1 ZINC000367493107 159340842 /nfs/dbraw/zinc/34/08/42/159340842.db2.gz NRGSLQVQRWRBEY-QGZVFWFLSA-N 1 2 314.389 0.744 10 0 DCAELO NC(=O)[C@@]1(O)CCC[N@@H+](Cc2nccn2Cc2ccccc2)C1 ZINC000367493107 159340844 /nfs/dbraw/zinc/34/08/44/159340844.db2.gz NRGSLQVQRWRBEY-QGZVFWFLSA-N 1 2 314.389 0.744 10 0 DCAELO CN1C[C@@H](NC(=O)C2CC[NH+](CC(F)F)CC2)CCC1=O ZINC000407999065 160006729 /nfs/dbraw/zinc/00/67/29/160006729.db2.gz UJVSJIKQXYFKQJ-NSHDSACASA-N 1 2 303.353 0.701 10 0 DCAELO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)NC2CCCC2)[C@H](C)C1 ZINC000408010373 160010733 /nfs/dbraw/zinc/01/07/33/160010733.db2.gz UXRPKMAAGKJNQA-VXGBXAGGSA-N 1 2 305.444 0.150 10 0 DCAELO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)NC2CCCC2)[C@H](C)C1 ZINC000408010373 160010735 /nfs/dbraw/zinc/01/07/35/160010735.db2.gz UXRPKMAAGKJNQA-VXGBXAGGSA-N 1 2 305.444 0.150 10 0 DCAELO C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000408020187 160013959 /nfs/dbraw/zinc/01/39/59/160013959.db2.gz BYLCDWNHHIUHDU-AVGNSLFASA-N 1 2 311.426 0.469 10 0 DCAELO C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000408020187 160013961 /nfs/dbraw/zinc/01/39/61/160013961.db2.gz BYLCDWNHHIUHDU-AVGNSLFASA-N 1 2 311.426 0.469 10 0 DCAELO NC(=O)[C@@]1(O)CCCN(c2nc(C3CC3)[nH+]c3c2CCC3)C1 ZINC000408036846 160018431 /nfs/dbraw/zinc/01/84/31/160018431.db2.gz WGAHUEVBWWHPLV-MRXNPFEDSA-N 1 2 302.378 0.659 10 0 DCAELO CCN1CC[NH+]([C@H]2CCN(C(=O)c3c[nH]cc(C)c3=O)C2)CC1 ZINC000408168425 160051738 /nfs/dbraw/zinc/05/17/38/160051738.db2.gz IYZWYMHLZFVGHJ-AWEZNQCLSA-N 1 2 318.421 0.535 10 0 DCAELO CC[C@@H]1C[C@H](C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CC(=O)N1 ZINC000408206782 160059971 /nfs/dbraw/zinc/05/99/71/160059971.db2.gz UQKJOJXXKXHGIB-MJBXVCDLSA-N 1 2 309.410 0.224 10 0 DCAELO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+](C)C[C@H]2CCS(=O)(=O)C2)C1 ZINC000408219876 160063111 /nfs/dbraw/zinc/06/31/11/160063111.db2.gz RAKVWZKHEBHBKP-MGPQQGTHSA-N 1 2 316.467 0.857 10 0 DCAELO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+](C)C[C@H]2CCS(=O)(=O)C2)C1 ZINC000408219876 160063112 /nfs/dbraw/zinc/06/31/12/160063112.db2.gz RAKVWZKHEBHBKP-MGPQQGTHSA-N 1 2 316.467 0.857 10 0 DCAELO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2[C@H](C)C2(F)F)CC1 ZINC000408230175 160064314 /nfs/dbraw/zinc/06/43/14/160064314.db2.gz DAEFEKLBZDPNGV-CMPLNLGQSA-N 1 2 303.353 0.558 10 0 DCAELO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2[C@H](C)C2(F)F)CC1 ZINC000408230175 160064315 /nfs/dbraw/zinc/06/43/15/160064315.db2.gz DAEFEKLBZDPNGV-CMPLNLGQSA-N 1 2 303.353 0.558 10 0 DCAELO C[C@H]1CN(C(=O)C2(C(=O)N(C)C)CC2)C[C@H]1[NH+]1CCOCC1 ZINC000408274111 160073540 /nfs/dbraw/zinc/07/35/40/160073540.db2.gz WANHTQLXRYSMMM-QWHCGFSZSA-N 1 2 309.410 0.034 10 0 DCAELO CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1CCn2cc[nH+]c2C1 ZINC000408391296 160098142 /nfs/dbraw/zinc/09/81/42/160098142.db2.gz CQBCTOFRSZTCHB-NSHDSACASA-N 1 2 314.411 0.189 10 0 DCAELO NS(=O)(=O)[C@@H]1CCN(c2nc(C3CC3)[nH+]c3c2CCC3)C1 ZINC000408391280 160098260 /nfs/dbraw/zinc/09/82/60/160098260.db2.gz BXDSKVIEHGFKQR-SNVBAGLBSA-N 1 2 308.407 0.710 10 0 DCAELO Cc1cc(C(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)nn1C ZINC000408392525 160099233 /nfs/dbraw/zinc/09/92/33/160099233.db2.gz HNGZNGBWGKDUBU-ZDUSSCGKSA-N 1 2 302.382 0.591 10 0 DCAELO CC(=O)[C@@](C)(O)C[NH+]1CCN(C(=O)NC2CCCCC2)CC1 ZINC000408455813 160111972 /nfs/dbraw/zinc/11/19/72/160111972.db2.gz FLLMYALACPRAAH-INIZCTEOSA-N 1 2 311.426 0.986 10 0 DCAELO C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000408473534 160116491 /nfs/dbraw/zinc/11/64/91/160116491.db2.gz SHPZGCXZMQDRJQ-HUUCEWRRSA-N 1 2 318.421 0.290 10 0 DCAELO CN1C[C@@H](NC(=O)N2CCN(c3cccc[nH+]3)CC2)CCC1=O ZINC000128673904 286983854 /nfs/dbraw/zinc/98/38/54/286983854.db2.gz ILBLBNAWJOAFCF-ZDUSSCGKSA-N 1 2 317.393 0.534 10 0 DCAELO COCCc1cc(NC(=O)NCC[NH+]2CCOCC2)n(C)n1 ZINC000134747582 287018188 /nfs/dbraw/zinc/01/81/88/287018188.db2.gz JLXGJZSGXIYCTR-UHFFFAOYSA-N 1 2 311.386 0.063 10 0 DCAELO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)CCCCOC)CC1 ZINC000136124668 287025497 /nfs/dbraw/zinc/02/54/97/287025497.db2.gz FEZCEZPGZBJYGD-ZDUSSCGKSA-N 1 2 308.444 0.131 10 0 DCAELO CC[C@@H]1C[N@H+](CC(=O)NCCCOC)CCN1CC(F)F ZINC000153318933 287049189 /nfs/dbraw/zinc/04/91/89/287049189.db2.gz HMJZRGFZODLGLJ-GFCCVEGCSA-N 1 2 307.385 0.800 10 0 DCAELO CC[C@@H]1C[N@@H+](CC(=O)NCCCOC)CCN1CC(F)F ZINC000153318933 287049191 /nfs/dbraw/zinc/04/91/91/287049191.db2.gz HMJZRGFZODLGLJ-GFCCVEGCSA-N 1 2 307.385 0.800 10 0 DCAELO C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000245418155 287069288 /nfs/dbraw/zinc/06/92/88/287069288.db2.gz GKTSFKWPPODVNE-CPCISQLKSA-N 1 2 309.288 0.362 10 0 DCAELO C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000245418155 287069290 /nfs/dbraw/zinc/06/92/90/287069290.db2.gz GKTSFKWPPODVNE-CPCISQLKSA-N 1 2 309.288 0.362 10 0 DCAELO Cc1nc(SCC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)n[nH]1 ZINC000245443049 287069321 /nfs/dbraw/zinc/06/93/21/287069321.db2.gz WVVZXLXXYKDVCL-ZJUUUORDSA-N 1 2 313.427 0.119 10 0 DCAELO Cc1nc(SCC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)n[nH]1 ZINC000245443049 287069322 /nfs/dbraw/zinc/06/93/22/287069322.db2.gz WVVZXLXXYKDVCL-ZJUUUORDSA-N 1 2 313.427 0.119 10 0 DCAELO Cc1nnc(SCC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)[nH]1 ZINC000245443049 287069325 /nfs/dbraw/zinc/06/93/25/287069325.db2.gz WVVZXLXXYKDVCL-ZJUUUORDSA-N 1 2 313.427 0.119 10 0 DCAELO Cc1nnc(SCC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)[nH]1 ZINC000245443049 287069327 /nfs/dbraw/zinc/06/93/27/287069327.db2.gz WVVZXLXXYKDVCL-ZJUUUORDSA-N 1 2 313.427 0.119 10 0 DCAELO COCC[N@@H+]1CCN(S(=O)(=O)N2CCC[C@H](C)C2)C[C@@H]1C ZINC000247274182 287092501 /nfs/dbraw/zinc/09/25/01/287092501.db2.gz ZQOYUKGENOTKGW-KBPBESRZSA-N 1 2 319.471 0.616 10 0 DCAELO COCC[N@H+]1CCN(S(=O)(=O)N2CCC[C@H](C)C2)C[C@@H]1C ZINC000247274182 287092502 /nfs/dbraw/zinc/09/25/02/287092502.db2.gz ZQOYUKGENOTKGW-KBPBESRZSA-N 1 2 319.471 0.616 10 0 DCAELO Cc1cn2cc(NC(=O)N3CCN4C(=O)NC[C@@H]4C3)ccc2[nH+]1 ZINC000268222790 415178913 /nfs/dbraw/zinc/17/89/13/415178913.db2.gz MHJQAAALGJGNMY-GFCCVEGCSA-N 1 2 314.349 0.884 10 0 DCAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2cnccn2)CC1 ZINC000027927722 415171497 /nfs/dbraw/zinc/17/14/97/415171497.db2.gz GFZPHPMAMJPKNX-UHFFFAOYSA-N 1 2 314.393 0.785 10 0 DCAELO C[N@H+](CC(=O)NC1CC1)CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000051857074 415318643 /nfs/dbraw/zinc/31/86/43/415318643.db2.gz AFXYOOFUYDNRJA-KBPBESRZSA-N 1 2 309.410 0.367 10 0 DCAELO C[N@@H+](CC(=O)NC1CC1)CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000051857074 415318647 /nfs/dbraw/zinc/31/86/47/415318647.db2.gz AFXYOOFUYDNRJA-KBPBESRZSA-N 1 2 309.410 0.367 10 0 DCAELO CCCNC(=O)CCNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000057297771 415337369 /nfs/dbraw/zinc/33/73/69/415337369.db2.gz ZPIBNSABHFOTAP-UHFFFAOYSA-N 1 2 307.398 0.863 10 0 DCAELO Cc1[nH]nc2ncc(C(=O)N3CC[C@@H]4OCC[N@@H+](C)[C@@H]4C3)cc12 ZINC000284761305 415601556 /nfs/dbraw/zinc/60/15/56/415601556.db2.gz SCBGWLRAOOQJFH-KGLIPLIRSA-N 1 2 315.377 0.811 10 0 DCAELO Cc1[nH]nc2ncc(C(=O)N3CC[C@@H]4OCC[N@H+](C)[C@@H]4C3)cc12 ZINC000284761305 415601563 /nfs/dbraw/zinc/60/15/63/415601563.db2.gz SCBGWLRAOOQJFH-KGLIPLIRSA-N 1 2 315.377 0.811 10 0 DCAELO CN(C)c1ncccc1CNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000104783079 415627079 /nfs/dbraw/zinc/62/70/79/415627079.db2.gz BLZYLCQQERNZIG-CYBMUJFWSA-N 1 2 307.398 0.277 10 0 DCAELO CN(C)c1ncccc1CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000104783079 415627086 /nfs/dbraw/zinc/62/70/86/415627086.db2.gz BLZYLCQQERNZIG-CYBMUJFWSA-N 1 2 307.398 0.277 10 0 DCAELO CS(=O)(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCCCCC2)C1 ZINC000116889532 415731288 /nfs/dbraw/zinc/73/12/88/415731288.db2.gz BCWGGBRECZQJMK-GFCCVEGCSA-N 1 2 303.428 0.013 10 0 DCAELO CS(=O)(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCCCCC2)C1 ZINC000116889532 415731294 /nfs/dbraw/zinc/73/12/94/415731294.db2.gz BCWGGBRECZQJMK-GFCCVEGCSA-N 1 2 303.428 0.013 10 0 DCAELO COCc1ccccc1C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000121363139 415799697 /nfs/dbraw/zinc/79/96/97/415799697.db2.gz FVECUOKCICAQOG-CQSZACIVSA-N 1 2 308.378 0.256 10 0 DCAELO NC(=O)[C@]1(O)CC[N@H+](Cc2cncc(Br)c2)C1 ZINC000336711851 415812424 /nfs/dbraw/zinc/81/24/24/415812424.db2.gz PVPJBDPKTKEASE-NSHDSACASA-N 1 2 300.156 0.266 10 0 DCAELO NC(=O)[C@]1(O)CC[N@@H+](Cc2cncc(Br)c2)C1 ZINC000336711851 415812437 /nfs/dbraw/zinc/81/24/37/415812437.db2.gz PVPJBDPKTKEASE-NSHDSACASA-N 1 2 300.156 0.266 10 0 DCAELO CC[C@H](OC1CCCC1)C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000128026647 415895640 /nfs/dbraw/zinc/89/56/40/415895640.db2.gz TZWJTROICNDFCF-HIFRSBDPSA-N 1 2 314.426 0.534 10 0 DCAELO CO[C@@H]1C[C@H](CO)[N@H+](CC(=O)Nc2nc3c(s2)CCC3)C1 ZINC000344880790 416002224 /nfs/dbraw/zinc/00/22/24/416002224.db2.gz UVQOELIPDBJPAA-NXEZZACHSA-N 1 2 311.407 0.652 10 0 DCAELO CO[C@@H]1C[C@H](CO)[N@@H+](CC(=O)Nc2nc3c(s2)CCC3)C1 ZINC000344880790 416002226 /nfs/dbraw/zinc/00/22/26/416002226.db2.gz UVQOELIPDBJPAA-NXEZZACHSA-N 1 2 311.407 0.652 10 0 DCAELO CC(C)Cn1cc[nH+]c1CNC(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000173241392 416056435 /nfs/dbraw/zinc/05/64/35/416056435.db2.gz KNCVSWHAHYWTCT-GFCCVEGCSA-N 1 2 307.398 0.959 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)NCC[C@H](C)O)nc[nH+]1 ZINC000173424800 416058854 /nfs/dbraw/zinc/05/88/54/416058854.db2.gz SXJYZSYGXWJFDH-RYUDHWBXSA-N 1 2 322.413 0.557 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)NCC[C@H](C)O)[nH+]cn1 ZINC000173424800 416058856 /nfs/dbraw/zinc/05/88/56/416058856.db2.gz SXJYZSYGXWJFDH-RYUDHWBXSA-N 1 2 322.413 0.557 10 0 DCAELO Cc1nnc([C@H]2C[N@H+](CCC(=O)NC3CCCC3)CCO2)[nH]1 ZINC000173673049 416064242 /nfs/dbraw/zinc/06/42/42/416064242.db2.gz GEQSBARQEGPSPU-CYBMUJFWSA-N 1 2 307.398 0.935 10 0 DCAELO Cc1nnc([C@H]2C[N@@H+](CCC(=O)NC3CCCC3)CCO2)[nH]1 ZINC000173673049 416064245 /nfs/dbraw/zinc/06/42/45/416064245.db2.gz GEQSBARQEGPSPU-CYBMUJFWSA-N 1 2 307.398 0.935 10 0 DCAELO C[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)Cn1cccn1 ZINC000173788221 416066265 /nfs/dbraw/zinc/06/62/65/416066265.db2.gz DFGWBUUHHKIUCI-HUUCEWRRSA-N 1 2 321.425 0.635 10 0 DCAELO Cn1cc[nH+]c1[C@@H]1CN(C(=O)NC[C@H]2CCCO2)CCN1C ZINC000298485519 416010319 /nfs/dbraw/zinc/01/03/19/416010319.db2.gz QEOQLMGHOJAPGH-OLZOCXBDSA-N 1 2 307.398 0.597 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)Nc2cnn(-c3ncccn3)c2)C1 ZINC000174871999 416088963 /nfs/dbraw/zinc/08/89/63/416088963.db2.gz YIZZSOCLCAIRKK-GFCCVEGCSA-N 1 2 317.353 0.114 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)Nc2cnn(-c3ncccn3)c2)C1 ZINC000174871999 416088967 /nfs/dbraw/zinc/08/89/67/416088967.db2.gz YIZZSOCLCAIRKK-GFCCVEGCSA-N 1 2 317.353 0.114 10 0 DCAELO O[C@H](CNc1ncnc2ccc(F)cc21)C[NH+]1CCOCC1 ZINC000301723220 416091084 /nfs/dbraw/zinc/09/10/84/416091084.db2.gz KTUWGOHJSGZNKN-GFCCVEGCSA-N 1 2 306.341 0.874 10 0 DCAELO Cc1cc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)c2cnn(C)c2n1 ZINC000175478711 416107545 /nfs/dbraw/zinc/10/75/45/416107545.db2.gz NAWPYVWZQNVWHA-LLVKDONJSA-N 1 2 303.366 0.337 10 0 DCAELO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c2cnn(C)c2n1 ZINC000175478711 416107547 /nfs/dbraw/zinc/10/75/47/416107547.db2.gz NAWPYVWZQNVWHA-LLVKDONJSA-N 1 2 303.366 0.337 10 0 DCAELO C[C@@H]1CCCN1S(=O)(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000328889129 416137989 /nfs/dbraw/zinc/13/79/89/416137989.db2.gz QPVDWPSMEVRGBZ-JHJVBQTASA-N 1 2 303.428 0.120 10 0 DCAELO C[C@@H]1CCCN1S(=O)(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000328889129 416137990 /nfs/dbraw/zinc/13/79/90/416137990.db2.gz QPVDWPSMEVRGBZ-JHJVBQTASA-N 1 2 303.428 0.120 10 0 DCAELO Cn1ncc(CN2CC[NH+](CC(N)=O)CC2)c1C(F)(F)F ZINC000177000854 416138217 /nfs/dbraw/zinc/13/82/17/416138217.db2.gz YJDZHBMVNKLNPM-UHFFFAOYSA-N 1 2 305.304 0.042 10 0 DCAELO Cc1oc(-c2cnn(C)c2)nc1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000177447210 416145512 /nfs/dbraw/zinc/14/55/12/416145512.db2.gz BIXMCHRLRCYWAD-GFCCVEGCSA-N 1 2 319.365 0.444 10 0 DCAELO Cc1oc(-c2cnn(C)c2)nc1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000177447210 416145518 /nfs/dbraw/zinc/14/55/18/416145518.db2.gz BIXMCHRLRCYWAD-GFCCVEGCSA-N 1 2 319.365 0.444 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)Nc3ncn(C(C)(C)C)n3)C[C@@H]21 ZINC000329070716 416148293 /nfs/dbraw/zinc/14/82/93/416148293.db2.gz YPNMNZGUCXHMGY-RYUDHWBXSA-N 1 2 322.413 0.970 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3ncn(C(C)(C)C)n3)C[C@@H]21 ZINC000329070716 416148297 /nfs/dbraw/zinc/14/82/97/416148297.db2.gz YPNMNZGUCXHMGY-RYUDHWBXSA-N 1 2 322.413 0.970 10 0 DCAELO COc1cc(/C=C/C(=O)NC[C@@H]2C[NH+]3CCN2CC3)ccc1F ZINC000178787981 416172338 /nfs/dbraw/zinc/17/23/38/416172338.db2.gz VLPXSQANGYWKKT-LYKUJDHUSA-N 1 2 319.380 0.964 10 0 DCAELO Cn1ncc2c1[nH]cc(C(=O)N1CC[N@@H+]3CCC[C@@H]3C1)c2=O ZINC000181956250 416214506 /nfs/dbraw/zinc/21/45/06/416214506.db2.gz IIRVQGQUZMWNEW-SNVBAGLBSA-N 1 2 301.350 0.594 10 0 DCAELO Cn1ncc2c1[nH]cc(C(=O)N1CC[N@H+]3CCC[C@@H]3C1)c2=O ZINC000181956250 416214509 /nfs/dbraw/zinc/21/45/09/416214509.db2.gz IIRVQGQUZMWNEW-SNVBAGLBSA-N 1 2 301.350 0.594 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)Cc2ccc3c(c2)NC(=O)C3)C1 ZINC000182377169 416221821 /nfs/dbraw/zinc/22/18/21/416221821.db2.gz LLGJPPUFIUYJSC-ZDUSSCGKSA-N 1 2 303.362 0.171 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)Cc2ccc3c(c2)NC(=O)C3)C1 ZINC000182377169 416221825 /nfs/dbraw/zinc/22/18/25/416221825.db2.gz LLGJPPUFIUYJSC-ZDUSSCGKSA-N 1 2 303.362 0.171 10 0 DCAELO CN(C)c1cc[nH+]cc1C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000183572943 416246973 /nfs/dbraw/zinc/24/69/73/416246973.db2.gz UMRJIXLOUWJQHS-ZDUSSCGKSA-N 1 2 304.394 0.741 10 0 DCAELO C[C@H]1CN(C(=O)c2cncc(Cl)n2)C[C@@H]1[NH+]1CCOCC1 ZINC000189452288 416267076 /nfs/dbraw/zinc/26/70/76/416267076.db2.gz WXARDFDADYXXNC-JQWIXIFHSA-N 1 2 310.785 0.923 10 0 DCAELO CCc1onc(C)c1NC(=O)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000190050703 416274695 /nfs/dbraw/zinc/27/46/95/416274695.db2.gz VNRHQXSWMZYEOW-JTQLQIEISA-N 1 2 324.381 0.009 10 0 DCAELO CCc1onc(C)c1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000190050703 416274697 /nfs/dbraw/zinc/27/46/97/416274697.db2.gz VNRHQXSWMZYEOW-JTQLQIEISA-N 1 2 324.381 0.009 10 0 DCAELO COC(=O)CC[N@@H+](Cc1nc(N(C)C)no1)C[C@@H]1CCCO1 ZINC000192721289 416310084 /nfs/dbraw/zinc/31/00/84/416310084.db2.gz PNTVQARSWOZSSX-NSHDSACASA-N 1 2 312.370 0.680 10 0 DCAELO COC(=O)CC[N@H+](Cc1nc(N(C)C)no1)C[C@@H]1CCCO1 ZINC000192721289 416310086 /nfs/dbraw/zinc/31/00/86/416310086.db2.gz PNTVQARSWOZSSX-NSHDSACASA-N 1 2 312.370 0.680 10 0 DCAELO Cc1cccc(NC[C@H]2CC[N@H+](Cc3nc(N)nc(N)n3)C2)[nH+]1 ZINC000195516165 416326671 /nfs/dbraw/zinc/32/66/71/416326671.db2.gz IGVMBPNNLSWZEX-LLVKDONJSA-N 1 2 314.397 0.673 10 0 DCAELO COC(=O)[C@](C)(O)CNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000360183212 416378027 /nfs/dbraw/zinc/37/80/27/416378027.db2.gz ZAVNUMXLJFNISN-MGPLVRAMSA-N 1 2 323.393 0.678 10 0 DCAELO COC(=O)[C@](C)(O)CNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000360183212 416378029 /nfs/dbraw/zinc/37/80/29/416378029.db2.gz ZAVNUMXLJFNISN-MGPLVRAMSA-N 1 2 323.393 0.678 10 0 DCAELO Cc1cnc(N[C@H]2CCCN(CC[NH+]3CCOCC3)C2=O)nc1 ZINC000360435755 416389628 /nfs/dbraw/zinc/38/96/28/416389628.db2.gz HXBFKAXJNPKDJX-AWEZNQCLSA-N 1 2 319.409 0.520 10 0 DCAELO C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)NC[C@@H]2CCCO2)C1 ZINC000583623789 416479747 /nfs/dbraw/zinc/47/97/47/416479747.db2.gz DTWHMXLYRZTJEH-LSDHHAIUSA-N 1 2 311.426 0.918 10 0 DCAELO C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)NC[C@@H]2CCCO2)C1 ZINC000583623789 416479753 /nfs/dbraw/zinc/47/97/53/416479753.db2.gz DTWHMXLYRZTJEH-LSDHHAIUSA-N 1 2 311.426 0.918 10 0 DCAELO COCC(COC)NC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000459013960 416517514 /nfs/dbraw/zinc/51/75/14/416517514.db2.gz FFZOKXLQJJDWBP-UHFFFAOYSA-N 1 2 323.397 0.278 10 0 DCAELO COc1cccc(CCNC(=O)N[C@@H](C)C[NH+]2CCOCC2)n1 ZINC000441233742 416666315 /nfs/dbraw/zinc/66/63/15/416666315.db2.gz NKEQGRYIASOEDI-ZDUSSCGKSA-N 1 2 322.409 0.653 10 0 DCAELO O=C(C[N@@H+]1CCN2CCOC[C@@H]2C1)NCc1cccc(Cl)c1 ZINC000368821933 416695636 /nfs/dbraw/zinc/69/56/36/416695636.db2.gz JGGWOHMUQMRCPR-HNNXBMFYSA-N 1 2 323.824 0.973 10 0 DCAELO O=C(C[N@H+]1CCN2CCOC[C@@H]2C1)NCc1cccc(Cl)c1 ZINC000368821933 416695642 /nfs/dbraw/zinc/69/56/42/416695642.db2.gz JGGWOHMUQMRCPR-HNNXBMFYSA-N 1 2 323.824 0.973 10 0 DCAELO Nc1[nH+]cccc1[C@@H]1CN(S(N)(=O)=O)c2ccccc2N1 ZINC000616680699 417093419 /nfs/dbraw/zinc/09/34/19/417093419.db2.gz ONGOLOLZTFGXTI-NSHDSACASA-N 1 2 305.363 0.841 10 0 DCAELO CO[C@@H]1CC[C@@H](NC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000530358857 417572251 /nfs/dbraw/zinc/57/22/51/417572251.db2.gz QZWJMMVYYIZMPP-CHWSQXEVSA-N 1 2 307.398 0.804 10 0 DCAELO COc1nsc(C[NH2+][C@@H]2CCNC2=O)c1Br ZINC000639302130 417654978 /nfs/dbraw/zinc/65/49/78/417654978.db2.gz CJRKLSAHLQURFJ-RXMQYKEDSA-N 1 2 306.185 0.892 10 0 DCAELO C[C@H]1CN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)[C@@H](C)CO1 ZINC000582160210 417733144 /nfs/dbraw/zinc/73/31/44/417733144.db2.gz CDKODCQAMHYZKA-QWRGUYRKSA-N 1 2 302.334 0.909 10 0 DCAELO COCCO[C@H]1CCCN(c2nc3c(cnn3C)c(N)[nH+]2)C1 ZINC000193554646 261142161 /nfs/dbraw/zinc/14/21/61/261142161.db2.gz GJGQEEHBRKPDIZ-JTQLQIEISA-N 1 2 306.370 0.577 10 0 DCAELO CC1(C)OC(=O)c2c1ccnc2NC[C@@H](O)C[NH+]1CCOCC1 ZINC000363725090 262128234 /nfs/dbraw/zinc/12/82/34/262128234.db2.gz TXSOOHUAZDBASQ-LLVKDONJSA-N 1 2 321.377 0.592 10 0 DCAELO COCCC1(C)CN(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000358663133 271065037 /nfs/dbraw/zinc/06/50/37/271065037.db2.gz MZXSVSOJAGBCRH-AWEZNQCLSA-N 1 2 312.458 0.690 10 0 DCAELO CC(=O)Nc1nc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cs1 ZINC000172756673 275496735 /nfs/dbraw/zinc/49/67/35/275496735.db2.gz PIMVPHSMVLKWRV-LLVKDONJSA-N 1 2 324.406 0.648 10 0 DCAELO Cc1nc2sccn2c(=O)c1CC[N@@H+](C)Cc1nnnn1C ZINC000552070053 288262956 /nfs/dbraw/zinc/26/29/56/288262956.db2.gz AGFKRZXTOVSVAK-UHFFFAOYSA-N 1 2 319.394 0.262 10 0 DCAELO Cc1nc2sccn2c(=O)c1CC[N@H+](C)Cc1nnnn1C ZINC000552070053 288262958 /nfs/dbraw/zinc/26/29/58/288262958.db2.gz AGFKRZXTOVSVAK-UHFFFAOYSA-N 1 2 319.394 0.262 10 0 DCAELO C[C@]1(CNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CCOC1 ZINC000552741822 288279639 /nfs/dbraw/zinc/27/96/39/288279639.db2.gz IPPMUMXGJDTQDT-OAHLLOKOSA-N 1 2 302.334 0.816 10 0 DCAELO CC[C@H](O)CCCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000552736398 288279650 /nfs/dbraw/zinc/27/96/50/288279650.db2.gz PFJPJYOYHSFZGH-LBPRGKRZSA-N 1 2 304.350 0.940 10 0 DCAELO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC000329690175 289046802 /nfs/dbraw/zinc/04/68/02/289046802.db2.gz GKISJYNFHHEJLD-XJKCOSOUSA-N 1 2 318.421 0.836 10 0 DCAELO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1CCc2n[nH]nc2C1 ZINC000329567040 289047294 /nfs/dbraw/zinc/04/72/94/289047294.db2.gz LASJHBICZDHRIW-TYNCELHUSA-N 1 2 319.409 0.231 10 0 DCAELO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+]1CCNC(=O)CC1 ZINC000126184120 289365332 /nfs/dbraw/zinc/36/53/32/289365332.db2.gz CORYYGHLWJWSPE-TZMCWYRMSA-N 1 2 317.389 0.837 10 0 DCAELO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+]1CCNC(=O)CC1 ZINC000126184120 289365333 /nfs/dbraw/zinc/36/53/33/289365333.db2.gz CORYYGHLWJWSPE-TZMCWYRMSA-N 1 2 317.389 0.837 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccc(C(N)=O)c3)C[C@@H]21 ZINC000284545808 290084512 /nfs/dbraw/zinc/08/45/12/290084512.db2.gz DHWYSBWACKZOHB-UONOGXRCSA-N 1 2 303.362 0.331 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccc(C(N)=O)c3)C[C@@H]21 ZINC000284545808 290084518 /nfs/dbraw/zinc/08/45/18/290084518.db2.gz DHWYSBWACKZOHB-UONOGXRCSA-N 1 2 303.362 0.331 10 0 DCAELO CO[C@@H](C)CS(=O)(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000249439057 293449197 /nfs/dbraw/zinc/44/91/97/293449197.db2.gz FJVMENNLHMFYEB-KBPBESRZSA-N 1 2 320.455 0.538 10 0 DCAELO CO[C@H](C)CS(=O)(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000195342175 294292315 /nfs/dbraw/zinc/29/23/15/294292315.db2.gz YWGARRGGYKQTSL-UPJWGTAASA-N 1 2 306.428 0.004 10 0 DCAELO C[C@H](C(=O)N1CCSc2ccccc21)[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000408440583 298072661 /nfs/dbraw/zinc/07/26/61/298072661.db2.gz DHRPOYBDEYZVSC-RTXFEEFZSA-N 1 2 308.403 0.551 10 0 DCAELO C[C@H](C(=O)N1CCSc2ccccc21)[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000408440583 298072663 /nfs/dbraw/zinc/07/26/63/298072663.db2.gz DHRPOYBDEYZVSC-RTXFEEFZSA-N 1 2 308.403 0.551 10 0 DCAELO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000375109616 298119605 /nfs/dbraw/zinc/11/96/05/298119605.db2.gz FNWWBNKDQMABCF-ABAIWWIYSA-N 1 2 313.398 0.491 10 0 DCAELO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000375109616 298119607 /nfs/dbraw/zinc/11/96/07/298119607.db2.gz FNWWBNKDQMABCF-ABAIWWIYSA-N 1 2 313.398 0.491 10 0 DCAELO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CCCN(C)C(=O)C1 ZINC000191149812 298123436 /nfs/dbraw/zinc/12/34/36/298123436.db2.gz GBSCKLDXPYXZDH-GFCCVEGCSA-N 1 2 324.425 0.698 10 0 DCAELO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CCCN(C)C(=O)C1 ZINC000191149812 298123437 /nfs/dbraw/zinc/12/34/37/298123437.db2.gz GBSCKLDXPYXZDH-GFCCVEGCSA-N 1 2 324.425 0.698 10 0 DCAELO C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)S(C)(=O)=O ZINC000248037036 298176447 /nfs/dbraw/zinc/17/64/47/298176447.db2.gz LKRCKDBGWMRKJZ-BNOWGMLFSA-N 1 2 310.419 0.981 10 0 DCAELO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)S(C)(=O)=O ZINC000248037036 298176452 /nfs/dbraw/zinc/17/64/52/298176452.db2.gz LKRCKDBGWMRKJZ-BNOWGMLFSA-N 1 2 310.419 0.981 10 0 DCAELO COC(=O)c1cnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)nc1 ZINC000576950049 341871555 /nfs/dbraw/zinc/87/15/55/341871555.db2.gz BONCSUZRBUDHLE-WCQYABFASA-N 1 2 306.366 0.420 10 0 DCAELO CS[C@@H](C)CC(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000328634105 533890747 /nfs/dbraw/zinc/89/07/47/533890747.db2.gz MMUZOHSBGXOAMP-QWRGUYRKSA-N 1 2 303.428 0.822 10 0 DCAELO CS[C@@H](C)CC(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000328634105 533890752 /nfs/dbraw/zinc/89/07/52/533890752.db2.gz MMUZOHSBGXOAMP-QWRGUYRKSA-N 1 2 303.428 0.822 10 0 DCAELO CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000127203563 519653347 /nfs/dbraw/zinc/65/33/47/519653347.db2.gz IEQIMBSOHWEDTL-UKRRQHHQSA-N 1 2 311.332 0.962 10 0 DCAELO CC(=O)NCC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000127203563 519653351 /nfs/dbraw/zinc/65/33/51/519653351.db2.gz IEQIMBSOHWEDTL-UKRRQHHQSA-N 1 2 311.332 0.962 10 0 DCAELO CC(C)[C@@H](O)CC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000157167672 519800268 /nfs/dbraw/zinc/80/02/68/519800268.db2.gz GFHORJFSMQCJGT-DZGCQCFKSA-N 1 2 316.467 0.718 10 0 DCAELO CCOCCCNC(=O)[C@H](C)[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000105889920 519892752 /nfs/dbraw/zinc/89/27/52/519892752.db2.gz YQJCJEIKKDTHNL-GJZGRUSLSA-N 1 2 324.425 0.515 10 0 DCAELO CCOCCCNC(=O)[C@H](C)[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000105889920 519892754 /nfs/dbraw/zinc/89/27/54/519892754.db2.gz YQJCJEIKKDTHNL-GJZGRUSLSA-N 1 2 324.425 0.515 10 0 DCAELO CCOc1ccc(OC[C@H](O)C[NH+]2CC(NC(C)=O)C2)cc1 ZINC000191728442 521178986 /nfs/dbraw/zinc/17/89/86/521178986.db2.gz KLNIDYKSJLLSMN-CQSZACIVSA-N 1 2 308.378 0.645 10 0 DCAELO CN(C)c1cccc(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000154113418 522260528 /nfs/dbraw/zinc/26/05/28/522260528.db2.gz RLQPRQXARNDJDA-OAHLLOKOSA-N 1 2 307.394 0.176 10 0 DCAELO COc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)cn1 ZINC000266134633 523669521 /nfs/dbraw/zinc/66/95/21/523669521.db2.gz DRMGOTXKQDKOJC-TZMCWYRMSA-N 1 2 305.378 0.883 10 0 DCAELO CC(=O)N1CSC[C@H]1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000331804546 526681229 /nfs/dbraw/zinc/68/12/29/526681229.db2.gz MJUPEMHEBKGNRF-LBPRGKRZSA-N 1 2 304.375 0.872 10 0 DCAELO NC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CCc3ncccc3C2)C1 ZINC000366305692 527002135 /nfs/dbraw/zinc/00/21/35/527002135.db2.gz BLOFFASOKZXIRV-ZDUSSCGKSA-N 1 2 302.378 0.164 10 0 DCAELO NC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CCc3ncccc3C2)C1 ZINC000366305692 527002140 /nfs/dbraw/zinc/00/21/40/527002140.db2.gz BLOFFASOKZXIRV-ZDUSSCGKSA-N 1 2 302.378 0.164 10 0 DCAELO CCCn1ncnc1C[N@@H+]1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000299741047 528899626 /nfs/dbraw/zinc/89/96/26/528899626.db2.gz CKDJEIBRRYWCDT-RKDXNWHRSA-N 1 2 305.304 0.784 10 0 DCAELO CCCn1ncnc1C[N@H+]1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000299741047 528899631 /nfs/dbraw/zinc/89/96/31/528899631.db2.gz CKDJEIBRRYWCDT-RKDXNWHRSA-N 1 2 305.304 0.784 10 0 DCAELO COc1ccncc1CNC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000333000107 546068516 /nfs/dbraw/zinc/06/85/16/546068516.db2.gz SIYYNYFDNZQKBI-UKRRQHHQSA-N 1 2 320.393 0.705 10 0 DCAELO COc1ccncc1CNC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000333000107 546068520 /nfs/dbraw/zinc/06/85/20/546068520.db2.gz SIYYNYFDNZQKBI-UKRRQHHQSA-N 1 2 320.393 0.705 10 0 DCAELO C[NH+](C)Cc1csc(CNC(=O)CNCC(F)(F)F)n1 ZINC000722407273 661171894 /nfs/dbraw/zinc/17/18/94/661171894.db2.gz UYBATVXSUUBFSC-UHFFFAOYSA-N 1 2 310.345 0.973 10 0 DCAELO CO[C@@H]1C[C@@H](c2[nH]c(C)c(C)[nH+]2)N(CCNS(C)(=O)=O)C1 ZINC000888102555 661183264 /nfs/dbraw/zinc/18/32/64/661183264.db2.gz ALSYBWHKNWVMGD-NEPJUHHUSA-N 1 2 316.427 0.338 10 0 DCAELO O=C1[C@H]([N@@H+]2CCO[C@@]3(CCOC3)C2)CCN1C1CCOCC1 ZINC000329916568 659414508 /nfs/dbraw/zinc/41/45/08/659414508.db2.gz YXKTYQIRNRVQAD-ZBFHGGJFSA-N 1 2 310.394 0.258 10 0 DCAELO O=C1[C@H]([N@H+]2CCO[C@@]3(CCOC3)C2)CCN1C1CCOCC1 ZINC000329916568 659414511 /nfs/dbraw/zinc/41/45/11/659414511.db2.gz YXKTYQIRNRVQAD-ZBFHGGJFSA-N 1 2 310.394 0.258 10 0 DCAELO CCn1cc(C[N@@H+]2CCCN(C(=O)[C@H](O)C(C)(C)O)CC2)cn1 ZINC000900596197 663258849 /nfs/dbraw/zinc/25/88/49/663258849.db2.gz FKVGNOSYMFVBNU-AWEZNQCLSA-N 1 2 324.425 0.069 10 0 DCAELO CCn1cc(C[N@H+]2CCCN(C(=O)[C@H](O)C(C)(C)O)CC2)cn1 ZINC000900596197 663258851 /nfs/dbraw/zinc/25/88/51/663258851.db2.gz FKVGNOSYMFVBNU-AWEZNQCLSA-N 1 2 324.425 0.069 10 0 DCAELO Cc1cnn([C@H]2CCC[N@@H+](CN3C(=O)C(=O)N(C)C3=O)C2)c1 ZINC000152893364 664778534 /nfs/dbraw/zinc/77/85/34/664778534.db2.gz DPFNSVBOMZQANY-NSHDSACASA-N 1 2 305.338 0.207 10 0 DCAELO Cc1cnn([C@H]2CCC[N@H+](CN3C(=O)C(=O)N(C)C3=O)C2)c1 ZINC000152893364 664778536 /nfs/dbraw/zinc/77/85/36/664778536.db2.gz DPFNSVBOMZQANY-NSHDSACASA-N 1 2 305.338 0.207 10 0 DCAELO CC(C)c1[nH+]c2c(n1C)CCN(CN1C(=O)C(=O)N(C)C1=O)C2 ZINC000153013391 664787317 /nfs/dbraw/zinc/78/73/17/664787317.db2.gz XSKAWARQJBHLQG-UHFFFAOYSA-N 1 2 319.365 0.280 10 0 DCAELO Cc1nn(C)c(Cl)c1S(=O)(=O)NCC(F)(F)C[NH3+] ZINC000186992889 666668198 /nfs/dbraw/zinc/66/81/98/666668198.db2.gz FWDZPKLDOHUTDS-UHFFFAOYSA-N 1 2 302.734 0.254 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2noc(C)n2)nc[nH+]1 ZINC000124046973 667891217 /nfs/dbraw/zinc/89/12/17/667891217.db2.gz VTLVLZHIYFMKGL-JTQLQIEISA-N 1 2 317.353 0.609 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2noc(C)n2)[nH+]cn1 ZINC000124046973 667891219 /nfs/dbraw/zinc/89/12/19/667891219.db2.gz VTLVLZHIYFMKGL-JTQLQIEISA-N 1 2 317.353 0.609 10 0 DCAELO COc1ccnc(C[N@@H+]2CCC[C@@](O)(c3cn[nH]n3)C2)c1OC ZINC000794044428 669772184 /nfs/dbraw/zinc/77/21/84/669772184.db2.gz NNNNZIHXGVJNJS-HNNXBMFYSA-N 1 2 319.365 0.701 10 0 DCAELO COc1ccnc(C[N@H+]2CCC[C@@](O)(c3cn[nH]n3)C2)c1OC ZINC000794044428 669772186 /nfs/dbraw/zinc/77/21/86/669772186.db2.gz NNNNZIHXGVJNJS-HNNXBMFYSA-N 1 2 319.365 0.701 10 0 DCAELO N#Cc1csc(C[NH2+]Cc2ccc(S(N)(=O)=O)cc2)n1 ZINC000395136891 1157951226 /nfs/dbraw/zinc/95/12/26/1157951226.db2.gz DCARSSOMRSWZIJ-UHFFFAOYSA-N 1 2 308.388 0.952 10 0 DCAELO C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CC[NH+](C2CC2)CC1 ZINC000255897771 685188564 /nfs/dbraw/zinc/18/85/64/685188564.db2.gz QFEPYRXCWJYQKB-ZDUSSCGKSA-N 1 2 317.437 0.995 10 0 DCAELO C[N@@H+]1CCO[C@@H](C(=O)Nc2c[nH]cc(Br)c2=O)C1 ZINC000089990537 185275344 /nfs/dbraw/zinc/27/53/44/185275344.db2.gz BNTWLJYPIGVDPF-SECBINFHSA-N 1 2 316.155 0.407 10 0 DCAELO C[N@H+]1CCO[C@@H](C(=O)Nc2c[nH]cc(Br)c2=O)C1 ZINC000089990537 185275345 /nfs/dbraw/zinc/27/53/45/185275345.db2.gz BNTWLJYPIGVDPF-SECBINFHSA-N 1 2 316.155 0.407 10 0 DCAELO CC(C)(C)OC(=O)CNC(=O)C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000181853250 199362678 /nfs/dbraw/zinc/36/26/78/199362678.db2.gz ATMXYRJTFKMQIC-LBPRGKRZSA-N 1 2 323.397 0.373 10 0 DCAELO CC(C)(C)OC(=O)CNC(=O)C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000181853250 199362680 /nfs/dbraw/zinc/36/26/80/199362680.db2.gz ATMXYRJTFKMQIC-LBPRGKRZSA-N 1 2 323.397 0.373 10 0 DCAELO Cc1noc(C)c1S(=O)(=O)N(C)C[C@@H]1C[N@H+](C)CCO1 ZINC000074775084 545671663 /nfs/dbraw/zinc/67/16/63/545671663.db2.gz FEZZBURHJXLLIA-NSHDSACASA-N 1 2 303.384 0.243 10 0 DCAELO Cc1noc(C)c1S(=O)(=O)N(C)C[C@@H]1C[N@@H+](C)CCO1 ZINC000074775084 545671670 /nfs/dbraw/zinc/67/16/70/545671670.db2.gz FEZZBURHJXLLIA-NSHDSACASA-N 1 2 303.384 0.243 10 0 DCAELO CC(C)(C)C(=O)Cn1cc(C(=O)N2CC[NH+](C3CC3)CC2)nn1 ZINC000172714887 198140252 /nfs/dbraw/zinc/14/02/52/198140252.db2.gz ANPLNCKEVAPCDF-UHFFFAOYSA-N 1 2 319.409 0.814 10 0 DCAELO Cn1nccc1CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000173949006 198271501 /nfs/dbraw/zinc/27/15/01/198271501.db2.gz KIMFOQFUDDQIDV-AWEZNQCLSA-N 1 2 307.398 0.426 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(N)=O)s3)C[C@H]21 ZINC000328867533 283027363 /nfs/dbraw/zinc/02/73/63/283027363.db2.gz GZTKFQUBCQOUNA-ZJUUUORDSA-N 1 2 309.391 0.392 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(N)=O)s3)C[C@H]21 ZINC000328867533 283027365 /nfs/dbraw/zinc/02/73/65/283027365.db2.gz GZTKFQUBCQOUNA-ZJUUUORDSA-N 1 2 309.391 0.392 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnc4nccnc4c3)C[C@H]21 ZINC000328852409 283029122 /nfs/dbraw/zinc/02/91/22/283029122.db2.gz BUBOTCPXLYGKLB-KGLIPLIRSA-N 1 2 313.361 0.570 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)c3cnc4nccnc4c3)C[C@H]21 ZINC000328852409 283029124 /nfs/dbraw/zinc/02/91/24/283029124.db2.gz BUBOTCPXLYGKLB-KGLIPLIRSA-N 1 2 313.361 0.570 10 0 DCAELO CN1N=C(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CCC1=O ZINC000110959650 283256967 /nfs/dbraw/zinc/25/69/67/283256967.db2.gz LXSLAMAFGCTJAF-CYBMUJFWSA-N 1 2 322.409 0.308 10 0 DCAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)Nc1cccc2[nH]ccc21 ZINC000179817683 199084672 /nfs/dbraw/zinc/08/46/72/199084672.db2.gz WXCYAHOAWIWVHJ-GFCCVEGCSA-N 1 2 318.377 0.983 10 0 DCAELO C[C@@H]1CN(C(=O)C(=O)Nc2ccsc2)C[C@@H]1[NH+]1CCOCC1 ZINC000180259321 199137828 /nfs/dbraw/zinc/13/78/28/199137828.db2.gz WBNBBCLFAYMXIM-YPMHNXCESA-N 1 2 323.418 0.866 10 0 DCAELO C[C@@H]1COC[C@@H](C)[NH+]1CC(=O)N1CCN(c2cnccn2)CC1 ZINC000172668766 237147275 /nfs/dbraw/zinc/14/72/75/237147275.db2.gz WIEZFRXVSAALGZ-ZIAGYGMSSA-N 1 2 319.409 0.234 10 0 DCAELO C[C@H](NC(=O)C[N@@H+]1CCS[C@@H](C)C1)C(=O)N1CCCCC1 ZINC000171689011 237138588 /nfs/dbraw/zinc/13/85/88/237138588.db2.gz ANKPNUFQCDEQLT-STQMWFEESA-N 1 2 313.467 0.941 10 0 DCAELO C[C@H](NC(=O)C[N@H+]1CCS[C@@H](C)C1)C(=O)N1CCCCC1 ZINC000171689011 237138597 /nfs/dbraw/zinc/13/85/97/237138597.db2.gz ANKPNUFQCDEQLT-STQMWFEESA-N 1 2 313.467 0.941 10 0 DCAELO COCCCN(CCO)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000186914325 237332512 /nfs/dbraw/zinc/33/25/12/237332512.db2.gz LIWPWOONHZICDS-UHFFFAOYSA-N 1 2 310.398 0.688 10 0 DCAELO COCc1nc(C)c(C(=O)N2CC[N@H+](CCO)[C@H](C)C2)s1 ZINC000188724258 200294970 /nfs/dbraw/zinc/29/49/70/200294970.db2.gz XIDNVXBYWDSRSZ-SNVBAGLBSA-N 1 2 313.423 0.737 10 0 DCAELO COCc1nc(C)c(C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)s1 ZINC000188724258 200294972 /nfs/dbraw/zinc/29/49/72/200294972.db2.gz XIDNVXBYWDSRSZ-SNVBAGLBSA-N 1 2 313.423 0.737 10 0 DCAELO O=C(C[N@@H+]1CCc2n[nH]cc2C1)N1CCO[C@H]2CCCC[C@H]21 ZINC000270557085 291250719 /nfs/dbraw/zinc/25/07/19/291250719.db2.gz RNMYFRGRSFNRKS-CABCVRRESA-N 1 2 304.394 0.938 10 0 DCAELO O=C(C[N@H+]1CCc2n[nH]cc2C1)N1CCO[C@H]2CCCC[C@H]21 ZINC000270557085 291250720 /nfs/dbraw/zinc/25/07/20/291250720.db2.gz RNMYFRGRSFNRKS-CABCVRRESA-N 1 2 304.394 0.938 10 0 DCAELO CC(=O)N(C[C@H]1CCC[N@@H+]1CC(=O)Nc1nncs1)C1CC1 ZINC000275496275 212372431 /nfs/dbraw/zinc/37/24/31/212372431.db2.gz ABUVLTOVWCLVQL-GFCCVEGCSA-N 1 2 323.422 0.952 10 0 DCAELO CC(=O)N(C[C@H]1CCC[N@H+]1CC(=O)Nc1nncs1)C1CC1 ZINC000275496275 212372435 /nfs/dbraw/zinc/37/24/35/212372435.db2.gz ABUVLTOVWCLVQL-GFCCVEGCSA-N 1 2 323.422 0.952 10 0 DCAELO COCCN1CC[N@H+](C[C@@H](O)COCc2ccccc2)CC1=O ZINC000091813387 193111308 /nfs/dbraw/zinc/11/13/08/193111308.db2.gz FHRYULKXSBFZFE-MRXNPFEDSA-N 1 2 322.405 0.355 10 0 DCAELO COCCN1CC[N@@H+](C[C@@H](O)COCc2ccccc2)CC1=O ZINC000091813387 193111310 /nfs/dbraw/zinc/11/13/10/193111310.db2.gz FHRYULKXSBFZFE-MRXNPFEDSA-N 1 2 322.405 0.355 10 0 DCAELO CC1(C)[C@H](O)C[C@H]1NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000573103382 291610658 /nfs/dbraw/zinc/61/06/58/291610658.db2.gz BUIOVAVANXBCCV-GHMZBOCLSA-N 1 2 302.334 0.548 10 0 DCAELO CCNC(=O)c1ccc(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000105282056 194092719 /nfs/dbraw/zinc/09/27/19/194092719.db2.gz PRAOQAQPUBXPSJ-CQSZACIVSA-N 1 2 320.393 0.888 10 0 DCAELO CCNC(=O)c1ccc(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000105282056 194092720 /nfs/dbraw/zinc/09/27/20/194092720.db2.gz PRAOQAQPUBXPSJ-CQSZACIVSA-N 1 2 320.393 0.888 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)N2CCCC[C@@H]2c2ncc[nH]2)C1 ZINC000106561407 194230745 /nfs/dbraw/zinc/23/07/45/194230745.db2.gz MNWQSGBQURXRQC-CHWSQXEVSA-N 1 2 307.398 0.977 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)N2CCCC[C@@H]2c2ncc[nH]2)C1 ZINC000106561407 194230747 /nfs/dbraw/zinc/23/07/47/194230747.db2.gz MNWQSGBQURXRQC-CHWSQXEVSA-N 1 2 307.398 0.977 10 0 DCAELO Cc1ncc(C[NH+]2CCN(C(=O)[C@@H]3CNC(=O)C3)CC2)s1 ZINC000110942589 194372470 /nfs/dbraw/zinc/37/24/70/194372470.db2.gz VFLCEDRFBYUGKE-NSHDSACASA-N 1 2 308.407 0.232 10 0 DCAELO CC[C@H](C)NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000057413390 184037586 /nfs/dbraw/zinc/03/75/86/184037586.db2.gz BWLMNNABWLEGKP-ZDUSSCGKSA-N 1 2 306.414 0.696 10 0 DCAELO CO[C@@H]1C[C@H](c2nc(C)no2)[N@H+](CCCN2CCOCC2)C1 ZINC000328620627 532969941 /nfs/dbraw/zinc/96/99/41/532969941.db2.gz HDWUJJMEFXPSCZ-ZIAGYGMSSA-N 1 2 310.398 0.862 10 0 DCAELO CO[C@@H]1C[C@H](c2nc(C)no2)[N@@H+](CCCN2CCOCC2)C1 ZINC000328620627 532969945 /nfs/dbraw/zinc/96/99/45/532969945.db2.gz HDWUJJMEFXPSCZ-ZIAGYGMSSA-N 1 2 310.398 0.862 10 0 DCAELO Cn1cc[nH+]c1CN1C[C@H](F)C[C@@H]1CNC(=O)[C@@H]1CCCO1 ZINC000351632904 254355262 /nfs/dbraw/zinc/35/52/62/254355262.db2.gz KXQMISNJGASUMJ-UPJWGTAASA-N 1 2 310.373 0.628 10 0 DCAELO Cc1noc(C)c1CN1CC2(C1)C[N@H+](C)[C@H](C(=O)N(C)C)CO2 ZINC000248027650 257112161 /nfs/dbraw/zinc/11/21/61/257112161.db2.gz SLTRYKHWFWRUOR-AWEZNQCLSA-N 1 2 322.409 0.265 10 0 DCAELO Cc1noc(C)c1CN1CC2(C1)C[N@@H+](C)[C@H](C(=O)N(C)C)CO2 ZINC000248027650 257112163 /nfs/dbraw/zinc/11/21/63/257112163.db2.gz SLTRYKHWFWRUOR-AWEZNQCLSA-N 1 2 322.409 0.265 10 0 DCAELO CN(C)C(=O)CO[C@@H]1Cn2nccc2C[N@H+](Cc2ccco2)C1 ZINC000247993401 257113027 /nfs/dbraw/zinc/11/30/27/257113027.db2.gz LYQVOMGVVMVANO-HNNXBMFYSA-N 1 2 318.377 0.965 10 0 DCAELO CN(C)C(=O)CO[C@@H]1Cn2nccc2C[N@@H+](Cc2ccco2)C1 ZINC000247993401 257113028 /nfs/dbraw/zinc/11/30/28/257113028.db2.gz LYQVOMGVVMVANO-HNNXBMFYSA-N 1 2 318.377 0.965 10 0 DCAELO CCOCC(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000275841060 130397520 /nfs/dbraw/zinc/39/75/20/130397520.db2.gz XRCISNKHOXHXBB-KBPBESRZSA-N 1 2 312.389 0.827 10 0 DCAELO CCOCC(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000275841060 130397523 /nfs/dbraw/zinc/39/75/23/130397523.db2.gz XRCISNKHOXHXBB-KBPBESRZSA-N 1 2 312.389 0.827 10 0 DCAELO CN1CCO[C@H]2CCN(C(=O)NCCCn3cc[nH+]c3)C[C@H]21 ZINC000284167607 131055569 /nfs/dbraw/zinc/05/55/69/131055569.db2.gz WVRIDGGHGZTBGB-KGLIPLIRSA-N 1 2 307.398 0.388 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3cn4ccccc4n3)C[C@H]21 ZINC000284485999 131085506 /nfs/dbraw/zinc/08/55/06/131085506.db2.gz MRTJSUJOHUXWMK-HUUCEWRRSA-N 1 2 314.389 0.808 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3cn4ccccc4n3)C[C@H]21 ZINC000284485999 131085507 /nfs/dbraw/zinc/08/55/07/131085507.db2.gz MRTJSUJOHUXWMK-HUUCEWRRSA-N 1 2 314.389 0.808 10 0 DCAELO COc1cccc([C@@H](O)C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000164221188 132132591 /nfs/dbraw/zinc/13/25/91/132132591.db2.gz OQSWSYSSBCLSHG-HZPDHXFCSA-N 1 2 320.389 0.708 10 0 DCAELO COc1cccc([C@@H](O)C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000164221188 132132593 /nfs/dbraw/zinc/13/25/93/132132593.db2.gz OQSWSYSSBCLSHG-HZPDHXFCSA-N 1 2 320.389 0.708 10 0 DCAELO COC(=O)c1coc(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)c1 ZINC000183544240 292032556 /nfs/dbraw/zinc/03/25/56/292032556.db2.gz QCJWAZMDAXJNJC-MNOVXSKESA-N 1 2 310.350 0.905 10 0 DCAELO O=S(=O)(NC1CC1)[C@H]1CC[N@H+](Cc2cnc3cnccn23)C1 ZINC000092071280 395729164 /nfs/dbraw/zinc/72/91/64/395729164.db2.gz WMRZPFHNYZPXRY-ZDUSSCGKSA-N 1 2 321.406 0.385 10 0 DCAELO O=S(=O)(NC1CC1)[C@H]1CC[N@@H+](Cc2cnc3cnccn23)C1 ZINC000092071280 395729166 /nfs/dbraw/zinc/72/91/66/395729166.db2.gz WMRZPFHNYZPXRY-ZDUSSCGKSA-N 1 2 321.406 0.385 10 0 DCAELO CCS(=O)(=O)CCNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106916873 395784698 /nfs/dbraw/zinc/78/46/98/395784698.db2.gz CIQSGHLGYYJLSZ-CQSZACIVSA-N 1 2 312.435 0.710 10 0 DCAELO Cn1nc2c(c1NC(=O)C(=O)N1CC[NH+](C3CC3)CC1)CCC2 ZINC000270734935 395802464 /nfs/dbraw/zinc/80/24/64/395802464.db2.gz INHLLBNPNCRGNZ-UHFFFAOYSA-N 1 2 317.393 0.154 10 0 DCAELO C[N@H+](CC(=O)N1CCNC1=O)[C@H]1CCN(c2ccccc2)C1=O ZINC000111251068 395804234 /nfs/dbraw/zinc/80/42/34/395804234.db2.gz XVWZIVJRJNIDLO-ZDUSSCGKSA-N 1 2 316.361 0.276 10 0 DCAELO C[N@@H+](CC(=O)N1CCNC1=O)[C@H]1CCN(c2ccccc2)C1=O ZINC000111251068 395804238 /nfs/dbraw/zinc/80/42/38/395804238.db2.gz XVWZIVJRJNIDLO-ZDUSSCGKSA-N 1 2 316.361 0.276 10 0 DCAELO CCOC1CC(CNC(=O)[C@@H](C)COC)([NH+]2CCOCC2)C1 ZINC000195200074 395820846 /nfs/dbraw/zinc/82/08/46/395820846.db2.gz HXLGXTJFGBGTBR-HLIUYOAVSA-N 1 2 314.426 0.655 10 0 DCAELO COCC[N@@H+]1CCN(C(=O)C(=O)Nc2ccccc2)C[C@H]1C ZINC000117285964 395850819 /nfs/dbraw/zinc/85/08/19/395850819.db2.gz HJXWPOVFKPEIDZ-CYBMUJFWSA-N 1 2 305.378 0.804 10 0 DCAELO COCC[N@H+]1CCN(C(=O)C(=O)Nc2ccccc2)C[C@H]1C ZINC000117285964 395850826 /nfs/dbraw/zinc/85/08/26/395850826.db2.gz HJXWPOVFKPEIDZ-CYBMUJFWSA-N 1 2 305.378 0.804 10 0 DCAELO Cc1noc([C@H](C)[NH+]2CCN(c3ncnc4nc[nH]c43)CC2)n1 ZINC000108947713 395795512 /nfs/dbraw/zinc/79/55/12/395795512.db2.gz JWDBRYVWGPHQGF-VIFPVBQESA-N 1 2 314.353 0.928 10 0 DCAELO COC(=O)c1ncsc1S(=O)(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000134693089 395933644 /nfs/dbraw/zinc/93/36/44/395933644.db2.gz OLVTYUMBKPYTQT-QMMMGPOBSA-N 1 2 319.408 0.302 10 0 DCAELO COC(=O)c1ncsc1S(=O)(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000134693089 395933648 /nfs/dbraw/zinc/93/36/48/395933648.db2.gz OLVTYUMBKPYTQT-QMMMGPOBSA-N 1 2 319.408 0.302 10 0 DCAELO CCOCC[N@@H+]1CCN(S(=O)(=O)C[C@@H]2CCOC2)C[C@H]1C ZINC000246911096 395960699 /nfs/dbraw/zinc/96/06/99/395960699.db2.gz AVIYMDYBMCAQON-ZIAGYGMSSA-N 1 2 320.455 0.395 10 0 DCAELO CCOCC[N@H+]1CCN(S(=O)(=O)C[C@@H]2CCOC2)C[C@H]1C ZINC000246911096 395960706 /nfs/dbraw/zinc/96/07/06/395960706.db2.gz AVIYMDYBMCAQON-ZIAGYGMSSA-N 1 2 320.455 0.395 10 0 DCAELO O=C1[C@@H]([N@@H+]2CC[C@H](N3CCOCC3)C2)CCN1CC(F)(F)F ZINC000247190787 395968592 /nfs/dbraw/zinc/96/85/92/395968592.db2.gz SROSOZACGAGQNS-RYUDHWBXSA-N 1 2 321.343 0.556 10 0 DCAELO O=C1[C@@H]([N@H+]2CC[C@H](N3CCOCC3)C2)CCN1CC(F)(F)F ZINC000247190787 395968593 /nfs/dbraw/zinc/96/85/93/395968593.db2.gz SROSOZACGAGQNS-RYUDHWBXSA-N 1 2 321.343 0.556 10 0 DCAELO O=C1[C@@H](N2CC[C@H]([NH+]3CCOCC3)C2)CCN1CC(F)(F)F ZINC000247190787 395968596 /nfs/dbraw/zinc/96/85/96/395968596.db2.gz SROSOZACGAGQNS-RYUDHWBXSA-N 1 2 321.343 0.556 10 0 DCAELO CS(=O)(=O)N[C@H]1CC[N@H+](C[C@@H](O)c2ccc(F)cc2F)C1 ZINC000247221614 395970030 /nfs/dbraw/zinc/97/00/30/395970030.db2.gz VOERAMHDFJEOFL-GXFFZTMASA-N 1 2 320.361 0.622 10 0 DCAELO CS(=O)(=O)N[C@H]1CC[N@@H+](C[C@@H](O)c2ccc(F)cc2F)C1 ZINC000247221614 395970032 /nfs/dbraw/zinc/97/00/32/395970032.db2.gz VOERAMHDFJEOFL-GXFFZTMASA-N 1 2 320.361 0.622 10 0 DCAELO CC(=O)N1CC[C@@H](NC(=O)NCc2[nH+]ccn2CC(C)C)C1 ZINC000150810182 395973270 /nfs/dbraw/zinc/97/32/70/395973270.db2.gz JOLWCABNKOPOKC-CYBMUJFWSA-N 1 2 307.398 0.959 10 0 DCAELO O=C(NCC[NH+]1CCOCC1)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000276748379 396025174 /nfs/dbraw/zinc/02/51/74/396025174.db2.gz XLELQAXFNAWAEB-LSDHHAIUSA-N 1 2 305.378 0.608 10 0 DCAELO CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000250154741 396013595 /nfs/dbraw/zinc/01/35/95/396013595.db2.gz NQFBMVRSQFKCJM-RWMBFGLXSA-N 1 2 314.430 0.310 10 0 DCAELO C[C@H](CNC(=O)[C@H](C)OC[C@H]1CCCO1)[NH+]1CCOCC1 ZINC000250043144 396013864 /nfs/dbraw/zinc/01/38/64/396013864.db2.gz GNJHMXJNVZCIGA-HZSPNIEDSA-N 1 2 300.399 0.407 10 0 DCAELO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000250523208 396015020 /nfs/dbraw/zinc/01/50/20/396015020.db2.gz OTASNRLTKJJSTP-OUCADQQQSA-N 1 2 305.378 0.438 10 0 DCAELO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000250523208 396015024 /nfs/dbraw/zinc/01/50/24/396015024.db2.gz OTASNRLTKJJSTP-OUCADQQQSA-N 1 2 305.378 0.438 10 0 DCAELO CCCc1cc(=O)n2nc(NC[C@H]3C[N@H+](C)CCO3)sc2n1 ZINC000170999730 396103074 /nfs/dbraw/zinc/10/30/74/396103074.db2.gz YFEHUPWQZDVDOM-NSHDSACASA-N 1 2 323.422 0.846 10 0 DCAELO CCCc1cc(=O)n2nc(NC[C@H]3C[N@@H+](C)CCO3)sc2n1 ZINC000170999730 396103076 /nfs/dbraw/zinc/10/30/76/396103076.db2.gz YFEHUPWQZDVDOM-NSHDSACASA-N 1 2 323.422 0.846 10 0 DCAELO C[C@@H](NC(N)=O)C(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000171023566 396103904 /nfs/dbraw/zinc/10/39/04/396103904.db2.gz YNQODRXVGJZFDO-SNVBAGLBSA-N 1 2 311.411 0.234 10 0 DCAELO C[C@@H](NC(N)=O)C(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000171023566 396103907 /nfs/dbraw/zinc/10/39/07/396103907.db2.gz YNQODRXVGJZFDO-SNVBAGLBSA-N 1 2 311.411 0.234 10 0 DCAELO CCOC[C@H](O)CN1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000171611093 396120897 /nfs/dbraw/zinc/12/08/97/396120897.db2.gz DNYNAMWJOHNYEP-MRXNPFEDSA-N 1 2 321.421 0.301 10 0 DCAELO Cc1cccc2nc(CNC(=O)NC[C@@H]3C[N@H+](C)CCO3)cn21 ZINC000171741485 396124538 /nfs/dbraw/zinc/12/45/38/396124538.db2.gz DWJBQRZSFHFDKL-CQSZACIVSA-N 1 2 317.393 0.773 10 0 DCAELO Cc1cccc2nc(CNC(=O)NC[C@@H]3C[N@@H+](C)CCO3)cn21 ZINC000171741485 396124541 /nfs/dbraw/zinc/12/45/41/396124541.db2.gz DWJBQRZSFHFDKL-CQSZACIVSA-N 1 2 317.393 0.773 10 0 DCAELO Cc1ccc(NC(=O)C[N@H+](C)C[C@@H](O)CN2CCCC2=O)cc1 ZINC000171883186 396127845 /nfs/dbraw/zinc/12/78/45/396127845.db2.gz IQHOXTZOYKLFJO-OAHLLOKOSA-N 1 2 319.405 0.849 10 0 DCAELO Cc1ccc(NC(=O)C[N@@H+](C)C[C@@H](O)CN2CCCC2=O)cc1 ZINC000171883186 396127849 /nfs/dbraw/zinc/12/78/49/396127849.db2.gz IQHOXTZOYKLFJO-OAHLLOKOSA-N 1 2 319.405 0.849 10 0 DCAELO C[C@@H](C(=O)N1CCS(=O)(=O)[C@H](C)C1)[NH+]1CCCCCC1 ZINC000174027733 396137164 /nfs/dbraw/zinc/13/71/64/396137164.db2.gz JBHBZKJEYPHXRY-OLZOCXBDSA-N 1 2 302.440 0.896 10 0 DCAELO O=S(=O)(NC1CCCC1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000279215826 396158664 /nfs/dbraw/zinc/15/86/64/396158664.db2.gz HKQRFWQGOBHEDO-UHFFFAOYSA-N 1 2 324.450 0.976 10 0 DCAELO C[C@@H](O)CCNC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000177018983 396164643 /nfs/dbraw/zinc/16/46/43/396164643.db2.gz KZBTVEAXAZGUAM-LLVKDONJSA-N 1 2 316.361 0.913 10 0 DCAELO C[C@H]1CN(Cc2ccc(-n3cc[nH+]c3)nc2)CCS1(=O)=O ZINC000177207342 396169363 /nfs/dbraw/zinc/16/93/63/396169363.db2.gz QZEBIDYOSRXLDF-LBPRGKRZSA-N 1 2 306.391 0.886 10 0 DCAELO Cc1cccc(=O)n1C[C@](C)(O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000279492058 396179122 /nfs/dbraw/zinc/17/91/22/396179122.db2.gz JHNGGEUYSWAKLU-KRWDZBQOSA-N 1 2 319.405 0.214 10 0 DCAELO CC(C)NC(=O)NC(=O)[C@@H](C)[NH+]1CCN(Cc2ccon2)CC1 ZINC000075857680 396188159 /nfs/dbraw/zinc/18/81/59/396188159.db2.gz OQVZPZOAAIVALP-GFCCVEGCSA-N 1 2 323.397 0.415 10 0 DCAELO O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCN(Cc2ccncc2)CC1 ZINC000262972064 396195539 /nfs/dbraw/zinc/19/55/39/396195539.db2.gz LXJRTKTVVJIAAG-ZDUSSCGKSA-N 1 2 310.348 0.723 10 0 DCAELO O=C(NCc1nncn1-c1ccccc1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263044481 396199201 /nfs/dbraw/zinc/19/92/01/396199201.db2.gz TYJNXVWDURNREX-NSHDSACASA-N 1 2 307.304 0.881 10 0 DCAELO COc1ccccc1[C@H](O)CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263082851 396200824 /nfs/dbraw/zinc/20/08/24/396200824.db2.gz XQXGYSCZGNSUHV-WDEREUQCSA-N 1 2 300.305 0.842 10 0 DCAELO CCO[C@@H]1C[C@H](O)C12CCN(C(=O)[C@H]1CC(F)(F)C[NH2+]1)CC2 ZINC000263146712 396202912 /nfs/dbraw/zinc/20/29/12/396202912.db2.gz CVBXUCKEQOUHNX-GRYCIOLGSA-N 1 2 318.364 0.762 10 0 DCAELO COc1c2cnn(C)c2ncc1C(=O)NCCCn1cc[nH+]c1 ZINC000181679854 396241238 /nfs/dbraw/zinc/24/12/38/396241238.db2.gz KVMSOLBZXROQMR-UHFFFAOYSA-N 1 2 314.349 0.994 10 0 DCAELO O=C(NCCCn1ccnn1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000183056901 396259815 /nfs/dbraw/zinc/25/98/15/396259815.db2.gz NEVGBRWIPUGTKG-CYBMUJFWSA-N 1 2 315.381 0.641 10 0 DCAELO C[C@H]1CN(C(=O)NCc2cn3ccccc3[nH+]2)CC(=O)N1C ZINC000282174473 396268750 /nfs/dbraw/zinc/26/87/50/396268750.db2.gz LBBDBIZLQXASME-NSHDSACASA-N 1 2 301.350 0.706 10 0 DCAELO Cc1ccc(CS(=O)(=O)NC[C@H]2C[N@H+](C)CCO2)cc1F ZINC000184128537 396286412 /nfs/dbraw/zinc/28/64/12/396286412.db2.gz LKYNOECAHQQJSD-ZDUSSCGKSA-N 1 2 316.398 0.884 10 0 DCAELO Cc1ccc(CS(=O)(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1F ZINC000184128537 396286413 /nfs/dbraw/zinc/28/64/13/396286413.db2.gz LKYNOECAHQQJSD-ZDUSSCGKSA-N 1 2 316.398 0.884 10 0 DCAELO CC[C@@H](C)NC(=O)C[NH+]1CCN(C[C@H](O)C(F)(F)F)CC1 ZINC000185159296 396320302 /nfs/dbraw/zinc/32/03/02/396320302.db2.gz ZJCLCDCIDMJXPY-MNOVXSKESA-N 1 2 311.348 0.442 10 0 DCAELO CC[C@@H](C)NC(=O)CN1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000185159296 396320304 /nfs/dbraw/zinc/32/03/04/396320304.db2.gz ZJCLCDCIDMJXPY-MNOVXSKESA-N 1 2 311.348 0.442 10 0 DCAELO C[C@H]([C@H](C)NC(=O)N1CC(NC(=O)C2CC2)C1)[NH+]1CCOCC1 ZINC000187033762 396362172 /nfs/dbraw/zinc/36/21/72/396362172.db2.gz WPTIPYACJJTAPS-NWDGAFQWSA-N 1 2 324.425 0.016 10 0 DCAELO CC(=O)OC(C)(C)C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000187491370 396370604 /nfs/dbraw/zinc/37/06/04/396370604.db2.gz FNHPTMDUXHBPGR-UHFFFAOYSA-N 1 2 322.409 0.796 10 0 DCAELO CC(=O)OC(C)(C)C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000187491370 396370605 /nfs/dbraw/zinc/37/06/05/396370605.db2.gz FNHPTMDUXHBPGR-UHFFFAOYSA-N 1 2 322.409 0.796 10 0 DCAELO O=C(CN1CSCC1=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186423303 396349292 /nfs/dbraw/zinc/34/92/92/396349292.db2.gz ANHOKRDZGSHJGX-UHFFFAOYSA-N 1 2 320.418 0.653 10 0 DCAELO CCOC(=O)NCC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186395855 396349424 /nfs/dbraw/zinc/34/94/24/396349424.db2.gz LXACXSRUDJRKEW-UHFFFAOYSA-N 1 2 306.366 0.866 10 0 DCAELO C[C@@H]1C(=O)NCCC[N@H+]1CCc1nc2ccccc2c(=O)[nH]1 ZINC000189262745 396392513 /nfs/dbraw/zinc/39/25/13/396392513.db2.gz PGKZWPSQBNGGNM-LLVKDONJSA-N 1 2 300.362 0.676 10 0 DCAELO C[C@@H]1C(=O)NCCC[N@@H+]1CCc1nc2ccccc2c(=O)[nH]1 ZINC000189262745 396392517 /nfs/dbraw/zinc/39/25/17/396392517.db2.gz PGKZWPSQBNGGNM-LLVKDONJSA-N 1 2 300.362 0.676 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)c2[nH]nnc2-c2ccccc2)C1 ZINC000189289584 396392979 /nfs/dbraw/zinc/39/29/79/396392979.db2.gz CTWVZJKMDQNQCQ-GFCCVEGCSA-N 1 2 301.350 0.532 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)c2[nH]nnc2-c2ccccc2)C1 ZINC000189289584 396392980 /nfs/dbraw/zinc/39/29/80/396392980.db2.gz CTWVZJKMDQNQCQ-GFCCVEGCSA-N 1 2 301.350 0.532 10 0 DCAELO CCCCCCNC(=O)C[N@@H+]1CCCN(CCOC)C(=O)C1 ZINC000190808696 396411807 /nfs/dbraw/zinc/41/18/07/396411807.db2.gz JATNNXJYSQYVIZ-UHFFFAOYSA-N 1 2 313.442 0.864 10 0 DCAELO CCCCCCNC(=O)C[N@H+]1CCCN(CCOC)C(=O)C1 ZINC000190808696 396411809 /nfs/dbraw/zinc/41/18/09/396411809.db2.gz JATNNXJYSQYVIZ-UHFFFAOYSA-N 1 2 313.442 0.864 10 0 DCAELO COc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CCCN(C)C(=O)C1 ZINC000191135041 396416096 /nfs/dbraw/zinc/41/60/96/396416096.db2.gz NHVBBXACFVXLAN-ZDUSSCGKSA-N 1 2 319.405 0.864 10 0 DCAELO COc1ccccc1CNC(=O)[C@H](C)[N@H+]1CCCN(C)C(=O)C1 ZINC000191135041 396416097 /nfs/dbraw/zinc/41/60/97/396416097.db2.gz NHVBBXACFVXLAN-ZDUSSCGKSA-N 1 2 319.405 0.864 10 0 DCAELO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCCN1c1nccs1 ZINC000192474132 396431498 /nfs/dbraw/zinc/43/14/98/396431498.db2.gz KEKYQWXOYUYALM-CHWSQXEVSA-N 1 2 324.450 0.949 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)NC[C@@H](C)O)nc[nH+]1 ZINC000192512015 396432596 /nfs/dbraw/zinc/43/25/96/396432596.db2.gz USHNJNBAGUVTMO-GHMZBOCLSA-N 1 2 308.386 0.167 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)NC[C@@H](C)O)[nH+]cn1 ZINC000192512015 396432597 /nfs/dbraw/zinc/43/25/97/396432597.db2.gz USHNJNBAGUVTMO-GHMZBOCLSA-N 1 2 308.386 0.167 10 0 DCAELO C[NH+]1CCN(C(=O)CCNC(=O)c2n[nH]c3ccccc32)CC1 ZINC000193537856 396453173 /nfs/dbraw/zinc/45/31/73/396453173.db2.gz IFBHOJXFGWKOSY-UHFFFAOYSA-N 1 2 315.377 0.457 10 0 DCAELO c1c(C[N@@H+]2CCN3CCOC[C@H]3C2)nnn1Cc1cccnc1 ZINC000371888140 396479430 /nfs/dbraw/zinc/47/94/30/396479430.db2.gz MPLVSGJPDJOUEW-MRXNPFEDSA-N 1 2 314.393 0.238 10 0 DCAELO c1c(C[N@H+]2CCN3CCOC[C@H]3C2)nnn1Cc1cccnc1 ZINC000371888140 396479432 /nfs/dbraw/zinc/47/94/32/396479432.db2.gz MPLVSGJPDJOUEW-MRXNPFEDSA-N 1 2 314.393 0.238 10 0 DCAELO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000560985693 396627734 /nfs/dbraw/zinc/62/77/34/396627734.db2.gz FVUGDXZUALAWOR-NSHDSACASA-N 1 2 312.333 0.674 10 0 DCAELO Cc1cn2c([nH+]1)CN(C(=O)CN1C(=O)c3ccccc3C1=O)CC2 ZINC000374714399 396681501 /nfs/dbraw/zinc/68/15/01/396681501.db2.gz MIACLORRFYUTAN-UHFFFAOYSA-N 1 2 324.340 0.830 10 0 DCAELO Cn1ncc2c1nc(N1CC[C@H](Oc3cccnc3)C1)[nH+]c2N ZINC000302890091 396722853 /nfs/dbraw/zinc/72/28/53/396722853.db2.gz PEXDAYHLZHIPKN-NSHDSACASA-N 1 2 311.349 0.998 10 0 DCAELO O=C1C[C@@H]([NH2+]Cc2ncc(I)s2)CN1 ZINC000306220881 396754442 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CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCCC(=O)NC(N)=O)CC2 ZINC000364540224 397216237 /nfs/dbraw/zinc/21/62/37/397216237.db2.gz IWVHPOXISSSJEL-SECBINFHSA-N 1 2 321.381 0.339 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@]1(CO)CCOC1)C2 ZINC000364551793 397219270 /nfs/dbraw/zinc/21/92/70/397219270.db2.gz OXWKNLJAPMTCKM-BDJLRTHQSA-N 1 2 307.394 0.906 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@]1(CO)CCOC1)CC2 ZINC000364551793 397219276 /nfs/dbraw/zinc/21/92/76/397219276.db2.gz OXWKNLJAPMTCKM-BDJLRTHQSA-N 1 2 307.394 0.906 10 0 DCAELO NS(=O)(=O)C1CC[NH+](Cc2nc(C3CCCC3)no2)CC1 ZINC000407950436 397333681 /nfs/dbraw/zinc/33/36/81/397333681.db2.gz GZXICZFDKJIOJE-UHFFFAOYSA-N 1 2 314.411 0.980 10 0 DCAELO O=S(=O)(c1cccnc1)N1CC[NH+](CC2(O)CCC2)CC1 ZINC000407950486 397333912 /nfs/dbraw/zinc/33/39/12/397333912.db2.gz IMVSULZESQYATG-UHFFFAOYSA-N 1 2 311.407 0.303 10 0 DCAELO C[C@H](C(=O)N1CC[NH2+][C@H](c2ccncc2)C1)N1CCOCC1 ZINC000407969478 397341697 /nfs/dbraw/zinc/34/16/97/397341697.db2.gz XEDOKIKVQNOAPZ-HIFRSBDPSA-N 1 2 304.394 0.275 10 0 DCAELO O=C(NCCN1CCCS1(=O)=O)Nc1ccc2[nH+]ccn2c1 ZINC000606582453 397683929 /nfs/dbraw/zinc/68/39/29/397683929.db2.gz PSDGWCGAKIOESR-UHFFFAOYSA-N 1 2 323.378 0.491 10 0 DCAELO COCc1ccccc1CNC(=O)C[N@@H+]1CCNC(=O)CC1 ZINC000065954652 158035215 /nfs/dbraw/zinc/03/52/15/158035215.db2.gz NYYQVEKLBHGXJU-UHFFFAOYSA-N 1 2 305.378 0.271 10 0 DCAELO COCc1ccccc1CNC(=O)C[N@H+]1CCNC(=O)CC1 ZINC000065954652 158035222 /nfs/dbraw/zinc/03/52/22/158035222.db2.gz NYYQVEKLBHGXJU-UHFFFAOYSA-N 1 2 305.378 0.271 10 0 DCAELO CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCCOCCC(C)C)C1 ZINC000079198964 158077191 /nfs/dbraw/zinc/07/71/91/158077191.db2.gz JHQAWXHQQBCXHO-OAHLLOKOSA-N 1 2 313.442 0.766 10 0 DCAELO CC(=O)N[C@@H]1CCC[N@H+](CC(=O)NCCOCCC(C)C)C1 ZINC000079198964 158077192 /nfs/dbraw/zinc/07/71/92/158077192.db2.gz JHQAWXHQQBCXHO-OAHLLOKOSA-N 1 2 313.442 0.766 10 0 DCAELO C[C@H](CNS(=O)(=O)N1CCCC[C@@H]1C)[NH+]1CCOCC1 ZINC000106264956 158133671 /nfs/dbraw/zinc/13/36/71/158133671.db2.gz YDQJCHJRZVSAEE-QWHCGFSZSA-N 1 2 305.444 0.416 10 0 DCAELO C[C@@H](Oc1cccc(C=O)c1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000109264581 158137119 /nfs/dbraw/zinc/13/71/19/158137119.db2.gz VGAQXMLOCTWEKF-DOMZBBRYSA-N 1 2 306.362 0.713 10 0 DCAELO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)c2cc[nH]c2)CC1 ZINC000110817345 158138367 /nfs/dbraw/zinc/13/83/67/158138367.db2.gz WRFJEQJCIXZBJF-CYBMUJFWSA-N 1 2 320.393 0.020 10 0 DCAELO CN(CC[N@H+](C)CC(=O)NC(C)(C)C)CC(=O)NC(C)(C)C ZINC000114713034 158155774 /nfs/dbraw/zinc/15/57/74/158155774.db2.gz DXOLXWQKPYJNRF-UHFFFAOYSA-N 1 2 314.474 0.679 10 0 DCAELO CN(CC[N@@H+](C)CC(=O)NC(C)(C)C)CC(=O)NC(C)(C)C ZINC000114713034 158155777 /nfs/dbraw/zinc/15/57/77/158155777.db2.gz DXOLXWQKPYJNRF-UHFFFAOYSA-N 1 2 314.474 0.679 10 0 DCAELO O=C(CCCNC(=O)C1CC1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000114856020 158157950 /nfs/dbraw/zinc/15/79/50/158157950.db2.gz DQYCHRGDFZRTFA-AWEZNQCLSA-N 1 2 309.410 0.272 10 0 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XIPCTDLBSPCMQT-OAHLLOKOSA-N 1 2 305.353 0.967 10 0 DCAELO O=C(NC1CC1)[C@@H](c1ccc(F)cc1)[N@H+]1CCNC(=O)CC1 ZINC000120610279 158200499 /nfs/dbraw/zinc/20/04/99/158200499.db2.gz XIPCTDLBSPCMQT-OAHLLOKOSA-N 1 2 305.353 0.967 10 0 DCAELO CC(C)C(=O)NCCCNC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000121872280 158216334 /nfs/dbraw/zinc/21/63/34/158216334.db2.gz YZKZPRJUJPCOOP-CYBMUJFWSA-N 1 2 314.430 0.169 10 0 DCAELO C[C@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CCS1(=O)=O ZINC000127247902 158270987 /nfs/dbraw/zinc/27/09/87/158270987.db2.gz ZAWFCCQGGVZOHV-AAEUAGOBSA-N 1 2 300.424 0.506 10 0 DCAELO O=C(CCOC[C@H]1CCCO1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000127326859 158272764 /nfs/dbraw/zinc/27/27/64/158272764.db2.gz QOGQXWGDIFKIFN-CABCVRRESA-N 1 2 312.410 0.552 10 0 DCAELO O=C(CCOC[C@H]1CCCO1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000127326859 158272766 /nfs/dbraw/zinc/27/27/66/158272766.db2.gz QOGQXWGDIFKIFN-CABCVRRESA-N 1 2 312.410 0.552 10 0 DCAELO CCOCCOCC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000127561061 158274318 /nfs/dbraw/zinc/27/43/18/158274318.db2.gz VFEXSNQAIXTYSK-UHFFFAOYSA-N 1 2 304.350 0.937 10 0 DCAELO O=C(C[N@H+]1CC=C(c2ccccc2F)CC1)N1CCNC(=O)C1 ZINC000127467990 158274820 /nfs/dbraw/zinc/27/48/20/158274820.db2.gz FNTZCSPVKDPZRQ-UHFFFAOYSA-N 1 2 317.364 0.873 10 0 DCAELO O=C(C[N@@H+]1CC=C(c2ccccc2F)CC1)N1CCNC(=O)C1 ZINC000127467990 158274824 /nfs/dbraw/zinc/27/48/24/158274824.db2.gz FNTZCSPVKDPZRQ-UHFFFAOYSA-N 1 2 317.364 0.873 10 0 DCAELO C[C@@H](CNC(=O)N[C@@H](CO)CC(C)(C)C)[NH+]1CCOCC1 ZINC000128305350 158280009 /nfs/dbraw/zinc/28/00/09/158280009.db2.gz NQGXJDQRQMPMCH-QWHCGFSZSA-N 1 2 301.431 0.803 10 0 DCAELO CC[C@@H](C)NC(=O)CN1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000131904843 158306869 /nfs/dbraw/zinc/30/68/69/158306869.db2.gz ULMJTHLCQKUTBC-KGLIPLIRSA-N 1 2 310.442 0.187 10 0 DCAELO Cc1c(CCC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cnn1C ZINC000136088847 158341014 /nfs/dbraw/zinc/34/10/14/158341014.db2.gz DFFPMZNWBWHMRA-HNNXBMFYSA-N 1 2 306.410 0.594 10 0 DCAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)NCc1nncn1C(C)C ZINC000170597854 158375000 /nfs/dbraw/zinc/37/50/00/158375000.db2.gz RXVXUJHQGMWNJR-ZDUSSCGKSA-N 1 2 309.414 0.976 10 0 DCAELO CCCC[N@H+]1CCOC[C@H]1C(=O)NCc1nncn1C(C)C ZINC000170597854 158375001 /nfs/dbraw/zinc/37/50/01/158375001.db2.gz RXVXUJHQGMWNJR-ZDUSSCGKSA-N 1 2 309.414 0.976 10 0 DCAELO C[C@H](CS(C)(=O)=O)NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000172245814 158392386 /nfs/dbraw/zinc/39/23/86/158392386.db2.gz OLOYGDGPYNWNDB-SNVBAGLBSA-N 1 2 314.411 0.380 10 0 DCAELO O=C(CNC(=O)c1ccccc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172751931 158398303 /nfs/dbraw/zinc/39/83/03/158398303.db2.gz UUPLKDPVVWODAB-OAHLLOKOSA-N 1 2 317.389 0.350 10 0 DCAELO O=C(Cc1ccc2c(c1)OCO2)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172743819 158398884 /nfs/dbraw/zinc/39/88/84/158398884.db2.gz PGBRBHXGSDUZIN-AWEZNQCLSA-N 1 2 318.373 0.891 10 0 DCAELO CCCNC(=O)C1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263082935 158855719 /nfs/dbraw/zinc/85/57/19/158855719.db2.gz XSFXUGUVZBCJJV-LLVKDONJSA-N 1 2 303.353 0.748 10 0 DCAELO O=C(CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)Nc1cccc(F)c1 ZINC000263106965 158856182 /nfs/dbraw/zinc/85/61/82/158856182.db2.gz ZZHKBGVTEKNVMG-JTQLQIEISA-N 1 2 301.268 0.878 10 0 DCAELO COc1cc(C(=O)N2CC[NH2+][C@@H](c3cccnc3)C2)nn1C ZINC000328658247 159017920 /nfs/dbraw/zinc/01/79/20/159017920.db2.gz QRPJSSVNODZJKO-CYBMUJFWSA-N 1 2 301.350 0.610 10 0 DCAELO Cc1ccn(CC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)c(=O)c1 ZINC000328867510 159036369 /nfs/dbraw/zinc/03/63/69/159036369.db2.gz GYTZSAYEZYXXBM-KBPBESRZSA-N 1 2 305.378 0.088 10 0 DCAELO Cc1ccn(CC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)c(=O)c1 ZINC000328867510 159036371 /nfs/dbraw/zinc/03/63/71/159036371.db2.gz GYTZSAYEZYXXBM-KBPBESRZSA-N 1 2 305.378 0.088 10 0 DCAELO CCC(=O)N1CC[C@H](C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)C1 ZINC000328892040 159037668 /nfs/dbraw/zinc/03/76/68/159037668.db2.gz SVQPNPOYXHNDGM-IHRRRGAJSA-N 1 2 309.410 0.176 10 0 DCAELO CCC(=O)N1CC[C@H](C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)C1 ZINC000328892040 159037669 /nfs/dbraw/zinc/03/76/69/159037669.db2.gz SVQPNPOYXHNDGM-IHRRRGAJSA-N 1 2 309.410 0.176 10 0 DCAELO C[C@@H](C(=O)N1CCC[C@@H](c2nnc[nH]2)C1)[NH+]1CCSCC1 ZINC000328928976 159042914 /nfs/dbraw/zinc/04/29/14/159042914.db2.gz GXKHNXZYVFCWRU-NWDGAFQWSA-N 1 2 309.439 0.948 10 0 DCAELO C[C@@H](C(=O)N1CCC[C@@H](c2nc[nH]n2)C1)[NH+]1CCSCC1 ZINC000328928976 159042916 /nfs/dbraw/zinc/04/29/16/159042916.db2.gz GXKHNXZYVFCWRU-NWDGAFQWSA-N 1 2 309.439 0.948 10 0 DCAELO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329206437 159073430 /nfs/dbraw/zinc/07/34/30/159073430.db2.gz YDUZKULIUOWRAX-RFQIPJPRSA-N 1 2 314.451 0.895 10 0 DCAELO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329206437 159073434 /nfs/dbraw/zinc/07/34/34/159073434.db2.gz YDUZKULIUOWRAX-RFQIPJPRSA-N 1 2 314.451 0.895 10 0 DCAELO CCN1CCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1=O ZINC000329405394 159089822 /nfs/dbraw/zinc/08/98/22/159089822.db2.gz ZDROCPXNSFQFNH-CQSZACIVSA-N 1 2 309.410 0.178 10 0 DCAELO CCN1CCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1=O ZINC000329405394 159089824 /nfs/dbraw/zinc/08/98/24/159089824.db2.gz ZDROCPXNSFQFNH-CQSZACIVSA-N 1 2 309.410 0.178 10 0 DCAELO Cc1cn2c([nH+]1)[C@H](CNS(=O)(=O)c1cnnn1C)CCC2 ZINC000330162674 159147112 /nfs/dbraw/zinc/14/71/12/159147112.db2.gz SJWVGHITLWOABL-JTQLQIEISA-N 1 2 310.383 0.176 10 0 DCAELO O=C(N1CCc2cc[nH]c(=O)c2C1)C1([NH+]2CCOCC2)CCC1 ZINC000330221590 159151647 /nfs/dbraw/zinc/15/16/47/159151647.db2.gz LUKWFXRJRQMVSV-UHFFFAOYSA-N 1 2 317.389 0.927 10 0 DCAELO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000332919154 159217392 /nfs/dbraw/zinc/21/73/92/159217392.db2.gz BJBRFONFSQORKP-TYNCELHUSA-N 1 2 323.437 0.611 10 0 DCAELO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000332919154 159217394 /nfs/dbraw/zinc/21/73/94/159217394.db2.gz BJBRFONFSQORKP-TYNCELHUSA-N 1 2 323.437 0.611 10 0 DCAELO CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CCc3ncccc3C2)C1 ZINC000367858845 159360757 /nfs/dbraw/zinc/36/07/57/159360757.db2.gz MLZUCPSFAIGERS-HNNXBMFYSA-N 1 2 316.405 0.567 10 0 DCAELO CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CCc3ncccc3C2)C1 ZINC000367858845 159360760 /nfs/dbraw/zinc/36/07/60/159360760.db2.gz MLZUCPSFAIGERS-HNNXBMFYSA-N 1 2 316.405 0.567 10 0 DCAELO CC(C)C(=O)N[C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCN(C)CC2)C1 ZINC000407979105 160001709 /nfs/dbraw/zinc/00/17/09/160001709.db2.gz PEWOFBJAQGIGII-CABCVRRESA-N 1 2 324.469 0.386 10 0 DCAELO CC(C)C(=O)NC1CCN(C(=O)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000408000794 160008144 /nfs/dbraw/zinc/00/81/44/160008144.db2.gz IBTPYKJWOAYBBG-CYBMUJFWSA-N 1 2 311.426 0.470 10 0 DCAELO CC(C)NC(=O)CCNC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000408016664 160011892 /nfs/dbraw/zinc/01/18/92/160011892.db2.gz MGFXTPMQSKKTGR-QWHCGFSZSA-N 1 2 312.414 0.016 10 0 DCAELO CC(C)NC(=O)CCNC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000408016664 160011895 /nfs/dbraw/zinc/01/18/95/160011895.db2.gz MGFXTPMQSKKTGR-QWHCGFSZSA-N 1 2 312.414 0.016 10 0 DCAELO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)C1 ZINC000408031348 160016485 /nfs/dbraw/zinc/01/64/85/160016485.db2.gz SWHMPUVCCCESFX-HZSPNIEDSA-N 1 2 309.410 0.176 10 0 DCAELO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)C1 ZINC000408031348 160016487 /nfs/dbraw/zinc/01/64/87/160016487.db2.gz SWHMPUVCCCESFX-HZSPNIEDSA-N 1 2 309.410 0.176 10 0 DCAELO C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1C[C@@H](F)C[C@H]1CO ZINC000408047176 160022600 /nfs/dbraw/zinc/02/26/00/160022600.db2.gz OKLJHYLMFMOFGN-CYDGBPFRSA-N 1 2 315.389 0.796 10 0 DCAELO C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1C[C@@H](F)C[C@H]1CO ZINC000408047176 160022602 /nfs/dbraw/zinc/02/26/02/160022602.db2.gz OKLJHYLMFMOFGN-CYDGBPFRSA-N 1 2 315.389 0.796 10 0 DCAELO CS(=O)(=O)CCC[N@@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000408047108 160022676 /nfs/dbraw/zinc/02/26/76/160022676.db2.gz ZDBGXHAFNAJFCQ-BFHYXJOUSA-N 1 2 305.440 0.673 10 0 DCAELO CS(=O)(=O)CCC[N@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000408047108 160022679 /nfs/dbraw/zinc/02/26/79/160022679.db2.gz ZDBGXHAFNAJFCQ-BFHYXJOUSA-N 1 2 305.440 0.673 10 0 DCAELO Cc1cc(=O)[nH]c(C(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000408058185 160025783 /nfs/dbraw/zinc/02/57/83/160025783.db2.gz HHMLRVDMUJRGLW-CYBMUJFWSA-N 1 2 315.377 0.958 10 0 DCAELO CC[C@H]1CN(S(=O)(=O)N2CCCC2)CC[N@@H+]1CCOC ZINC000408184450 160055496 /nfs/dbraw/zinc/05/54/96/160055496.db2.gz YFFCZNQNIAZBMT-ZDUSSCGKSA-N 1 2 305.444 0.370 10 0 DCAELO CC[C@H]1CN(S(=O)(=O)N2CCCC2)CC[N@H+]1CCOC ZINC000408184450 160055498 /nfs/dbraw/zinc/05/54/98/160055498.db2.gz YFFCZNQNIAZBMT-ZDUSSCGKSA-N 1 2 305.444 0.370 10 0 DCAELO C[C@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1n1cc[nH+]c1 ZINC000408184353 160055518 /nfs/dbraw/zinc/05/55/18/160055518.db2.gz BFOFVJKQGADOFE-NWDGAFQWSA-N 1 2 314.411 0.184 10 0 DCAELO NS(=O)(=O)[C@H]1CCC[N@H+](CC(=O)NC2CCCCC2)C1 ZINC000408200114 160058002 /nfs/dbraw/zinc/05/80/02/160058002.db2.gz ZQUVGNJWONDUHG-LBPRGKRZSA-N 1 2 303.428 0.188 10 0 DCAELO NS(=O)(=O)[C@H]1CCC[N@@H+](CC(=O)NC2CCCCC2)C1 ZINC000408200114 160058003 /nfs/dbraw/zinc/05/80/03/160058003.db2.gz ZQUVGNJWONDUHG-LBPRGKRZSA-N 1 2 303.428 0.188 10 0 DCAELO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC([C@H](C)O)CC1 ZINC000408208334 160060876 /nfs/dbraw/zinc/06/08/76/160060876.db2.gz MBGBJDRMBKSXHR-KBPBESRZSA-N 1 2 312.458 0.425 10 0 DCAELO C[C@@H]1C[N@@H+]([C@H]2CCCN(CC(C)(C)C)C2=O)C[C@@H](C(N)=O)O1 ZINC000408233537 160065681 /nfs/dbraw/zinc/06/56/81/160065681.db2.gz VUBYIGPCFDSHSL-AGIUHOORSA-N 1 2 311.426 0.598 10 0 DCAELO C[C@@H]1C[N@H+]([C@H]2CCCN(CC(C)(C)C)C2=O)C[C@@H](C(N)=O)O1 ZINC000408233537 160065684 /nfs/dbraw/zinc/06/56/84/160065684.db2.gz VUBYIGPCFDSHSL-AGIUHOORSA-N 1 2 311.426 0.598 10 0 DCAELO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000408248300 160069351 /nfs/dbraw/zinc/06/93/51/160069351.db2.gz ALSRUAPWNMINEB-GFCCVEGCSA-N 1 2 302.440 0.896 10 0 DCAELO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000408248300 160069355 /nfs/dbraw/zinc/06/93/55/160069355.db2.gz ALSRUAPWNMINEB-GFCCVEGCSA-N 1 2 302.440 0.896 10 0 DCAELO Cn1cc[nH+]c1[C@H]1CN(C(=O)NC[C@@]2(C)CCCO2)CCN1C ZINC000408278913 160075149 /nfs/dbraw/zinc/07/51/49/160075149.db2.gz ZWKCHRBLDWUEHB-CZUORRHYSA-N 1 2 321.425 0.987 10 0 DCAELO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CC[N@H+](CCO)[C@@H](C)C2)C1 ZINC000408367812 160092895 /nfs/dbraw/zinc/09/28/95/160092895.db2.gz YIIQOFZNBSDEIB-MCIONIFRSA-N 1 2 319.471 0.208 10 0 DCAELO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)C1 ZINC000408367812 160092899 /nfs/dbraw/zinc/09/28/99/160092899.db2.gz YIIQOFZNBSDEIB-MCIONIFRSA-N 1 2 319.471 0.208 10 0 DCAELO CC(C)NS(=O)(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000408364631 160093072 /nfs/dbraw/zinc/09/30/72/160093072.db2.gz ADHPNDCDUDBWLF-CYBMUJFWSA-N 1 2 305.444 0.272 10 0 DCAELO CC(C)NS(=O)(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000408364631 160093074 /nfs/dbraw/zinc/09/30/74/160093074.db2.gz ADHPNDCDUDBWLF-CYBMUJFWSA-N 1 2 305.444 0.272 10 0 DCAELO Cc1ccncc1S(=O)(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000408457766 160112580 /nfs/dbraw/zinc/11/25/80/160112580.db2.gz CIPBZJUNHDYRQX-UHFFFAOYSA-N 1 2 313.423 0.467 10 0 DCAELO CC[C@H]1C[N@H+](CC(=O)NC[C@H]2CCCO2)CCN1CC(F)F ZINC000245804185 287073500 /nfs/dbraw/zinc/07/35/00/287073500.db2.gz ZXNGITGJJWUDHA-QWHCGFSZSA-N 1 2 319.396 0.943 10 0 DCAELO CC[C@H]1C[N@@H+](CC(=O)NC[C@H]2CCCO2)CCN1CC(F)F ZINC000245804185 287073502 /nfs/dbraw/zinc/07/35/02/287073502.db2.gz ZXNGITGJJWUDHA-QWHCGFSZSA-N 1 2 319.396 0.943 10 0 DCAELO CC(C)[NH+]1CCN(S(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000246085935 287076498 /nfs/dbraw/zinc/07/64/98/287076498.db2.gz GGFYVNORYQRIBI-QWHCGFSZSA-N 1 2 305.444 0.366 10 0 DCAELO CCN(CC)S(=O)(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000246627720 287086200 /nfs/dbraw/zinc/08/62/00/287086200.db2.gz YLEUWDJMQCBJFT-STQMWFEESA-N 1 2 305.444 0.226 10 0 DCAELO CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247220713 287092097 /nfs/dbraw/zinc/09/20/97/287092097.db2.gz VKUSAAXOKMRALP-CHWSQXEVSA-N 1 2 317.455 0.401 10 0 DCAELO CC[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247220713 287092098 /nfs/dbraw/zinc/09/20/98/287092098.db2.gz VKUSAAXOKMRALP-CHWSQXEVSA-N 1 2 317.455 0.401 10 0 DCAELO CC[C@@H]1CN(C(=O)N[C@H](C)C[S@@](C)=O)CC[N@@H+]1CCOC ZINC000248443787 287097155 /nfs/dbraw/zinc/09/71/55/287097155.db2.gz BHNALXWEOMVVFV-SQHYZVFZSA-N 1 2 319.471 0.506 10 0 DCAELO CC[C@@H]1CN(C(=O)N[C@H](C)C[S@@](C)=O)CC[N@H+]1CCOC ZINC000248443787 287097159 /nfs/dbraw/zinc/09/71/59/287097159.db2.gz BHNALXWEOMVVFV-SQHYZVFZSA-N 1 2 319.471 0.506 10 0 DCAELO CC[C@@H]1CN(C(=O)N[C@H](C)C[S@](C)=O)CC[N@@H+]1CCOC ZINC000248443789 287097374 /nfs/dbraw/zinc/09/73/74/287097374.db2.gz BHNALXWEOMVVFV-ZNLKAECVSA-N 1 2 319.471 0.506 10 0 DCAELO CC[C@@H]1CN(C(=O)N[C@H](C)C[S@](C)=O)CC[N@H+]1CCOC ZINC000248443789 287097377 /nfs/dbraw/zinc/09/73/77/287097377.db2.gz BHNALXWEOMVVFV-ZNLKAECVSA-N 1 2 319.471 0.506 10 0 DCAELO CC(=O)N1CCN(c2nc(NCCO)c3ccccc3[nH+]2)CC1 ZINC000029078408 415177002 /nfs/dbraw/zinc/17/70/02/415177002.db2.gz CINBJSDFBSTTPK-UHFFFAOYSA-N 1 2 315.377 0.703 10 0 DCAELO C[N@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000268974195 415249084 /nfs/dbraw/zinc/24/90/84/415249084.db2.gz OENSDNUCOUYWNS-RBSFLKMASA-N 1 2 322.430 0.778 10 0 DCAELO C[N@@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000268974195 415249089 /nfs/dbraw/zinc/24/90/89/415249089.db2.gz OENSDNUCOUYWNS-RBSFLKMASA-N 1 2 322.430 0.778 10 0 DCAELO COCCN(CCOC)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000046300158 415259302 /nfs/dbraw/zinc/25/93/02/415259302.db2.gz CIOBEOYAGGGEBY-UHFFFAOYSA-N 1 2 310.398 0.952 10 0 DCAELO CNC(=O)NC(=O)CN1CCC[C@@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000276033277 415416045 /nfs/dbraw/zinc/41/60/45/415416045.db2.gz RNDPHGYNMBGILI-GFCCVEGCSA-N 1 2 305.382 0.881 10 0 DCAELO C[C@H](NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1)C1CCOCC1 ZINC000332754754 415466918 /nfs/dbraw/zinc/46/69/18/415466918.db2.gz JVXZZPFXINXKMK-AEGPPILISA-N 1 2 311.426 0.916 10 0 DCAELO C[C@H](NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1)C1CCOCC1 ZINC000332754754 415466925 /nfs/dbraw/zinc/46/69/25/415466925.db2.gz JVXZZPFXINXKMK-AEGPPILISA-N 1 2 311.426 0.916 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)NCCc3cscn3)C[C@@H]21 ZINC000332790547 415475040 /nfs/dbraw/zinc/47/50/40/415475040.db2.gz LKLUELWUVGVSFD-STQMWFEESA-N 1 2 310.423 0.800 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)NCCc3cscn3)C[C@@H]21 ZINC000332790547 415475044 /nfs/dbraw/zinc/47/50/44/415475044.db2.gz LKLUELWUVGVSFD-STQMWFEESA-N 1 2 310.423 0.800 10 0 DCAELO O=C(C[N@@H+]1C[C@@H](O)C[C@H]1c1cccc(F)c1)N1CCNC1=O ZINC000343750739 415709203 /nfs/dbraw/zinc/70/92/03/415709203.db2.gz ABWGSZKCUFYYLX-STQMWFEESA-N 1 2 307.325 0.485 10 0 DCAELO O=C(C[N@H+]1C[C@@H](O)C[C@H]1c1cccc(F)c1)N1CCNC1=O ZINC000343750739 415709214 /nfs/dbraw/zinc/70/92/14/415709214.db2.gz ABWGSZKCUFYYLX-STQMWFEESA-N 1 2 307.325 0.485 10 0 DCAELO CC1CC[NH+](CC(=O)N2CCS(=O)(=O)C(C)(C)C2)CC1 ZINC000126960499 415882847 /nfs/dbraw/zinc/88/28/47/415882847.db2.gz HWHUGAKJXNHDER-UHFFFAOYSA-N 1 2 302.440 0.754 10 0 DCAELO CCOC(=O)CN(C[C@H](O)C[NH+]1CCOCC1)C(C)(C)C ZINC000130791040 415923619 /nfs/dbraw/zinc/92/36/19/415923619.db2.gz UDAWYCCJCYIKQZ-CYBMUJFWSA-N 1 2 302.415 0.343 10 0 DCAELO Cc1cc(F)cc(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000153354045 415978925 /nfs/dbraw/zinc/97/89/25/415978925.db2.gz AREGVAWBELEBBE-ZDUSSCGKSA-N 1 2 309.341 0.519 10 0 DCAELO Cc1cc(F)cc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000153354045 415978928 /nfs/dbraw/zinc/97/89/28/415978928.db2.gz AREGVAWBELEBBE-ZDUSSCGKSA-N 1 2 309.341 0.519 10 0 DCAELO Cc1nc(SCC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)n[nH]1 ZINC000173291849 416056152 /nfs/dbraw/zinc/05/61/52/416056152.db2.gz WVVZXLXXYKDVCL-NXEZZACHSA-N 1 2 313.427 0.119 10 0 DCAELO Cc1nc(SCC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)n[nH]1 ZINC000173291849 416056155 /nfs/dbraw/zinc/05/61/55/416056155.db2.gz WVVZXLXXYKDVCL-NXEZZACHSA-N 1 2 313.427 0.119 10 0 DCAELO Cc1nnc(SCC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)[nH]1 ZINC000173291849 416056158 /nfs/dbraw/zinc/05/61/58/416056158.db2.gz WVVZXLXXYKDVCL-NXEZZACHSA-N 1 2 313.427 0.119 10 0 DCAELO Cc1nnc(SCC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)[nH]1 ZINC000173291849 416056160 /nfs/dbraw/zinc/05/61/60/416056160.db2.gz WVVZXLXXYKDVCL-NXEZZACHSA-N 1 2 313.427 0.119 10 0 DCAELO CC[C@@H](CO)NC(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000173424274 416058670 /nfs/dbraw/zinc/05/86/70/416058670.db2.gz GNUJZAYTYYHTMP-NWDGAFQWSA-N 1 2 322.413 0.557 10 0 DCAELO CC[C@@H](CO)NC(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000173424274 416058672 /nfs/dbraw/zinc/05/86/72/416058672.db2.gz GNUJZAYTYYHTMP-NWDGAFQWSA-N 1 2 322.413 0.557 10 0 DCAELO CNC(=O)c1cccc(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000173763026 416064189 /nfs/dbraw/zinc/06/41/89/416064189.db2.gz RIUMKLSMWLUHFZ-OAHLLOKOSA-N 1 2 317.389 0.639 10 0 DCAELO CNC(=O)c1cccc(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000173763026 416064194 /nfs/dbraw/zinc/06/41/94/416064194.db2.gz RIUMKLSMWLUHFZ-OAHLLOKOSA-N 1 2 317.389 0.639 10 0 DCAELO C[C@@H](CNC(=O)N1CCC[C@H](n2cncn2)C1)[NH+]1CCOCC1 ZINC000173827274 416065129 /nfs/dbraw/zinc/06/51/29/416065129.db2.gz JIEXDWWWGUOGLZ-KBPBESRZSA-N 1 2 322.413 0.345 10 0 DCAELO O=C(NCCCn1cccn1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173783179 416065607 /nfs/dbraw/zinc/06/56/07/416065607.db2.gz XJOXNYKMTFSHCD-CQSZACIVSA-N 1 2 307.398 0.389 10 0 DCAELO NC(=O)c1ccc(NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000173780571 416066049 /nfs/dbraw/zinc/06/60/49/416066049.db2.gz JBLJZSSQAWIHJF-CQSZACIVSA-N 1 2 318.377 0.724 10 0 DCAELO CCC[C@H](CCO)CNC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000173826754 416066131 /nfs/dbraw/zinc/06/61/31/416066131.db2.gz UQZOKMOSCABFIZ-UONOGXRCSA-N 1 2 301.431 0.805 10 0 DCAELO NC(=O)[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173983428 416070135 /nfs/dbraw/zinc/07/01/35/416070135.db2.gz ATZVUVQQECVYIT-GJZGRUSLSA-N 1 2 307.369 0.759 10 0 DCAELO NC(=O)[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173983428 416070139 /nfs/dbraw/zinc/07/01/39/416070139.db2.gz ATZVUVQQECVYIT-GJZGRUSLSA-N 1 2 307.369 0.759 10 0 DCAELO NC(=O)[C@H](c1ccc(F)cc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173983428 416070143 /nfs/dbraw/zinc/07/01/43/416070143.db2.gz ATZVUVQQECVYIT-GJZGRUSLSA-N 1 2 307.369 0.759 10 0 DCAELO Cc1ccncc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000174007747 416071948 /nfs/dbraw/zinc/07/19/48/416071948.db2.gz KXEVACHNFDIKMJ-CYBMUJFWSA-N 1 2 318.377 0.262 10 0 DCAELO CCS(=O)(=O)C[C@@H](C)NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000174907513 416091351 /nfs/dbraw/zinc/09/13/51/416091351.db2.gz LUKAXOUMXHEXCQ-CHWSQXEVSA-N 1 2 315.439 0.465 10 0 DCAELO Cc1csc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)n1 ZINC000176080442 416118978 /nfs/dbraw/zinc/11/89/78/416118978.db2.gz ONXAPLYXOFLFHG-LLVKDONJSA-N 1 2 324.406 0.323 10 0 DCAELO CN(C(=O)NC[C@@H](O)C[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000176658420 416131840 /nfs/dbraw/zinc/13/18/40/416131840.db2.gz ZYOCSZMDCGYLJT-CQSZACIVSA-N 1 2 311.357 0.665 10 0 DCAELO C[C@H](CN1CCOCC1)NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177399101 416143764 /nfs/dbraw/zinc/14/37/64/416143764.db2.gz ARBVQXLHHNCPTB-HUUCEWRRSA-N 1 2 321.425 0.778 10 0 DCAELO O=c1c2c(F)cccc2ncn1C[C@H](O)C[NH+]1CCOCC1 ZINC000177497626 416145441 /nfs/dbraw/zinc/14/54/41/416145441.db2.gz XLRXWJFNFSBDMZ-LLVKDONJSA-N 1 2 307.325 0.229 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)N[C@@H]2CCOC2)nc[nH+]1 ZINC000179067499 416181424 /nfs/dbraw/zinc/18/14/24/416181424.db2.gz IOCLEDOJNZQUDH-NEPJUHHUSA-N 1 2 320.397 0.575 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)N[C@@H]2CCOC2)[nH+]cn1 ZINC000179067499 416181426 /nfs/dbraw/zinc/18/14/26/416181426.db2.gz IOCLEDOJNZQUDH-NEPJUHHUSA-N 1 2 320.397 0.575 10 0 DCAELO COC(=O)[C@@H]1C[C@@H](OC)C[N@@H+]1CCCNC(=O)C(F)(F)F ZINC000180648215 416200064 /nfs/dbraw/zinc/20/00/64/416200064.db2.gz QNXHDKFZKIOSRN-BDAKNGLRSA-N 1 2 312.288 0.317 10 0 DCAELO COCCS(=O)(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000180929126 416202150 /nfs/dbraw/zinc/20/21/50/416202150.db2.gz NDYSRZDXBRVFEJ-AWEZNQCLSA-N 1 2 319.471 0.065 10 0 DCAELO CNC(=O)[C@H]1CN(c2cc(C)[nH+]c(-c3ccncc3)n2)CCO1 ZINC000181151830 416204141 /nfs/dbraw/zinc/20/41/41/416204141.db2.gz NSXVWSIDCUQZBD-CYBMUJFWSA-N 1 2 313.361 0.798 10 0 DCAELO Cn1cc([C@@H]2C[NH2+]CCN2S(=O)(=O)c2cccs2)cn1 ZINC000181692367 416212284 /nfs/dbraw/zinc/21/22/84/416212284.db2.gz XYLKUDHGJZYCDE-NSHDSACASA-N 1 2 312.420 0.817 10 0 DCAELO CN(CC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCNC1=O ZINC000178204414 416159373 /nfs/dbraw/zinc/15/93/73/416159373.db2.gz FSSFNVBCKBVVJU-MRXNPFEDSA-N 1 2 302.422 0.629 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)NCc2ccn3cc[nH+]c3c2)C[C@H](C)O1 ZINC000178405033 416162721 /nfs/dbraw/zinc/16/27/21/416162721.db2.gz IJJJAXLVCYTHNN-TXEJJXNPSA-N 1 2 324.406 0.778 10 0 DCAELO C[C@@]1(C(N)=O)CCCC[N@@H+]1CC(=O)NC(=O)NC1CCCC1 ZINC000185926521 416253756 /nfs/dbraw/zinc/25/37/56/416253756.db2.gz ZSHDGLQGVBKGJO-HNNXBMFYSA-N 1 2 310.398 0.485 10 0 DCAELO C[C@@]1(C(N)=O)CCCC[N@H+]1CC(=O)NC(=O)NC1CCCC1 ZINC000185926521 416253758 /nfs/dbraw/zinc/25/37/58/416253758.db2.gz ZSHDGLQGVBKGJO-HNNXBMFYSA-N 1 2 310.398 0.485 10 0 DCAELO CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CCCC[C@]1(C)C(N)=O ZINC000185923973 416254791 /nfs/dbraw/zinc/25/47/91/416254791.db2.gz BELQESXWKNHIFD-OAHLLOKOSA-N 1 2 307.398 0.108 10 0 DCAELO CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CCCC[C@]1(C)C(N)=O ZINC000185923973 416254793 /nfs/dbraw/zinc/25/47/93/416254793.db2.gz BELQESXWKNHIFD-OAHLLOKOSA-N 1 2 307.398 0.108 10 0 DCAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1c[nH]c2cc(F)ccc12 ZINC000192889734 416311013 /nfs/dbraw/zinc/31/10/13/416311013.db2.gz WWSUBGIPFLNUMU-LBPRGKRZSA-N 1 2 321.352 0.730 10 0 DCAELO CC(C)Cn1cc[nH+]c1CNC(=O)N(C[C@@H](C)O)[C@H](C)CO ZINC000190598098 416281093 /nfs/dbraw/zinc/28/10/93/416281093.db2.gz YBBVONJONKWQTB-CHWSQXEVSA-N 1 2 312.414 0.812 10 0 DCAELO CCN(CC)C(=O)C[NH+]1CCN([C@@H](C(=O)OC)C2CC2)CC1 ZINC000358854654 416285757 /nfs/dbraw/zinc/28/57/57/416285757.db2.gz PYDIMHNMJRTELP-OAHLLOKOSA-N 1 2 311.426 0.424 10 0 DCAELO CC(C)(O)C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000191818286 416290887 /nfs/dbraw/zinc/29/08/87/416290887.db2.gz LXQUFRZKERGVHT-AWEZNQCLSA-N 1 2 322.405 0.341 10 0 DCAELO CNc1[nH+]cnc2c1cnn2CC(=O)N(C)CC(F)(F)F ZINC000194431452 416323748 /nfs/dbraw/zinc/32/37/48/416323748.db2.gz ZJXPKVSSFHDXPR-UHFFFAOYSA-N 1 2 302.260 0.889 10 0 DCAELO CNc1[nH+]cnc2c1cnn2Cc1nnnn1-c1ccccc1 ZINC000194429975 416323806 /nfs/dbraw/zinc/32/38/06/416323806.db2.gz ALIAVPNGSOBCDR-UHFFFAOYSA-N 1 2 307.321 0.892 10 0 DCAELO CN(Cc1cnn(C)c1)C(=O)C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000195507493 416326384 /nfs/dbraw/zinc/32/63/84/416326384.db2.gz MSCBWUSMXKYARA-UHFFFAOYSA-N 1 2 316.409 0.981 10 0 DCAELO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000361205127 416425523 /nfs/dbraw/zinc/42/55/23/416425523.db2.gz PVCAXPSYWFCUJV-ZDEQEGDKSA-N 1 2 313.398 0.489 10 0 DCAELO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000361205127 416425524 /nfs/dbraw/zinc/42/55/24/416425524.db2.gz PVCAXPSYWFCUJV-ZDEQEGDKSA-N 1 2 313.398 0.489 10 0 DCAELO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)Nc1cc[nH+]c(C(C)C)n1 ZINC000362670680 416569172 /nfs/dbraw/zinc/56/91/72/416569172.db2.gz WOWBBQRADAMTHC-MNOVXSKESA-N 1 2 308.382 1.468 10 0 DCAELO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCS1(=O)=O ZINC000544257097 416653668 /nfs/dbraw/zinc/65/36/68/416653668.db2.gz IUHPSLWGBRRJOK-CHWSQXEVSA-N 1 2 302.440 0.944 10 0 DCAELO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCS1(=O)=O ZINC000544257097 416653669 /nfs/dbraw/zinc/65/36/69/416653669.db2.gz IUHPSLWGBRRJOK-CHWSQXEVSA-N 1 2 302.440 0.944 10 0 DCAELO FC(F)(F)Cn1ccnc1C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000368813840 416695107 /nfs/dbraw/zinc/69/51/07/416695107.db2.gz LKHBIWRSLJKFQI-LLVKDONJSA-N 1 2 304.316 0.962 10 0 DCAELO FC(F)(F)Cn1ccnc1C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000368813840 416695111 /nfs/dbraw/zinc/69/51/11/416695111.db2.gz LKHBIWRSLJKFQI-LLVKDONJSA-N 1 2 304.316 0.962 10 0 DCAELO Cc1ccsc1CNC(=O)C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000368815442 416695140 /nfs/dbraw/zinc/69/51/40/416695140.db2.gz COQMGJPRSIZTIY-CYBMUJFWSA-N 1 2 309.435 0.689 10 0 DCAELO Cc1ccsc1CNC(=O)C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000368815442 416695144 /nfs/dbraw/zinc/69/51/44/416695144.db2.gz COQMGJPRSIZTIY-CYBMUJFWSA-N 1 2 309.435 0.689 10 0 DCAELO C[C@@H](NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)[C@H]1CCOC1 ZINC000557379269 416733427 /nfs/dbraw/zinc/73/34/27/416733427.db2.gz ZVBOWTRYRJOXTO-MNOVXSKESA-N 1 2 302.334 0.814 10 0 DCAELO CCO[C@H]1C[C@@]([NH2+]CCN2CCOCC2)(C(=O)OC)C1(C)C ZINC000444749488 416864277 /nfs/dbraw/zinc/86/42/77/416864277.db2.gz WGYCDPQUQPLGHP-XJKSGUPXSA-N 1 2 314.426 0.655 10 0 DCAELO C[C@@H](CNC(=O)N1CCC[C@@H](c2nnc[nH]2)C1)[NH+]1CCOCC1 ZINC000370118015 416882051 /nfs/dbraw/zinc/88/20/51/416882051.db2.gz ZJLCESLEHQOOGG-QWHCGFSZSA-N 1 2 322.413 0.414 10 0 DCAELO CO[C@H]1CCN(S(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)CC1(C)C ZINC000632410463 417071498 /nfs/dbraw/zinc/07/14/98/417071498.db2.gz FJCGLCACEQLPMR-STQMWFEESA-N 1 2 320.455 0.394 10 0 DCAELO CO[C@H]1CCN(S(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)CC1(C)C ZINC000632410463 417071501 /nfs/dbraw/zinc/07/15/01/417071501.db2.gz FJCGLCACEQLPMR-STQMWFEESA-N 1 2 320.455 0.394 10 0 DCAELO CC(C)CN(C)S(=O)(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000408017175 417132170 /nfs/dbraw/zinc/13/21/70/417132170.db2.gz PUNWJRSXFFSGPR-STQMWFEESA-N 1 2 305.444 0.224 10 0 DCAELO CC(C)CN(C)S(=O)(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000408017175 417132176 /nfs/dbraw/zinc/13/21/76/417132176.db2.gz PUNWJRSXFFSGPR-STQMWFEESA-N 1 2 305.444 0.224 10 0 DCAELO CC1=CC[N@H+](CCNC(=O)NCC2(S(C)(=O)=O)CC2)CC1 ZINC000526974877 417193882 /nfs/dbraw/zinc/19/38/82/417193882.db2.gz YNFFODCTHZHAKN-UHFFFAOYSA-N 1 2 315.439 0.515 10 0 DCAELO CC1=CC[N@@H+](CCNC(=O)NCC2(S(C)(=O)=O)CC2)CC1 ZINC000526974877 417193887 /nfs/dbraw/zinc/19/38/87/417193887.db2.gz YNFFODCTHZHAKN-UHFFFAOYSA-N 1 2 315.439 0.515 10 0 DCAELO O[C@@H]1CN(c2cc(N3CCCCC3)[nH+]cn2)C[C@H]1n1ccnn1 ZINC000631397727 417871562 /nfs/dbraw/zinc/87/15/62/417871562.db2.gz RBLRXYAJFXXXAG-CHWSQXEVSA-N 1 2 315.381 0.481 10 0 DCAELO O[C@@H]1CN(c2cc(N3CCCCC3)nc[nH+]2)C[C@H]1n1ccnn1 ZINC000631397727 417871570 /nfs/dbraw/zinc/87/15/70/417871570.db2.gz RBLRXYAJFXXXAG-CHWSQXEVSA-N 1 2 315.381 0.481 10 0 DCAELO C[C@H](C(N)=O)[NH+]1CCN(c2ccc(C(F)(F)F)nn2)CC1 ZINC000301960112 230005207 /nfs/dbraw/zinc/00/52/07/230005207.db2.gz MBPUVYFXKASMCI-MRVPVSSYSA-N 1 2 303.288 0.491 10 0 DCAELO C[C@H](CS(C)(=O)=O)[N@H+](C)Cc1cc(-c2cnn(C)c2)no1 ZINC000185003442 261119030 /nfs/dbraw/zinc/11/90/30/261119030.db2.gz IQSDSFLVGVIKBX-SNVBAGLBSA-N 1 2 312.395 0.940 10 0 DCAELO C[C@H](CS(C)(=O)=O)[N@@H+](C)Cc1cc(-c2cnn(C)c2)no1 ZINC000185003442 261119032 /nfs/dbraw/zinc/11/90/32/261119032.db2.gz IQSDSFLVGVIKBX-SNVBAGLBSA-N 1 2 312.395 0.940 10 0 DCAELO O=C(NC[C@@H](c1cccs1)[NH+]1CCOCC1)[C@@H]1CNC(=O)C1 ZINC000194861045 261148904 /nfs/dbraw/zinc/14/89/04/261148904.db2.gz UCMUOHYAEDBQBM-RYUDHWBXSA-N 1 2 323.418 0.374 10 0 DCAELO COC(=O)c1ccc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)[nH]1 ZINC000294625734 277155572 /nfs/dbraw/zinc/15/55/72/277155572.db2.gz JKMGUKJCCXWQTO-OLZOCXBDSA-N 1 2 307.350 0.346 10 0 DCAELO COC(=O)c1ccc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)[nH]1 ZINC000294625734 277155574 /nfs/dbraw/zinc/15/55/74/277155574.db2.gz JKMGUKJCCXWQTO-OLZOCXBDSA-N 1 2 307.350 0.346 10 0 DCAELO CC(=O)N1CCN(C(=O)C[N@@H+]2CCOC[C@H]2CC2CCC2)CC1 ZINC000550503133 288216476 /nfs/dbraw/zinc/21/64/76/288216476.db2.gz XHDZGRJBZVHXCR-MRXNPFEDSA-N 1 2 323.437 0.568 10 0 DCAELO CC(=O)N1CCN(C(=O)C[N@H+]2CCOC[C@H]2CC2CCC2)CC1 ZINC000550503133 288216478 /nfs/dbraw/zinc/21/64/78/288216478.db2.gz XHDZGRJBZVHXCR-MRXNPFEDSA-N 1 2 323.437 0.568 10 0 DCAELO CCN1CC(=O)N(C[C@@]2([NH+]3CCOCC3)CCSC2)C1=O ZINC000554113953 288313635 /nfs/dbraw/zinc/31/36/35/288313635.db2.gz BNTDPUUSCQPVRY-AWEZNQCLSA-N 1 2 313.423 0.478 10 0 DCAELO COCCCCS(=O)(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000185097773 518051480 /nfs/dbraw/zinc/05/14/80/518051480.db2.gz CTYTVWWSUKGRMR-KBPBESRZSA-N 1 2 320.455 0.395 10 0 DCAELO CCN(C)C(=O)[C@H](C)NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000187979344 520206390 /nfs/dbraw/zinc/20/63/90/520206390.db2.gz PZVGSHXNIFOBPC-QWHCGFSZSA-N 1 2 307.398 0.924 10 0 DCAELO O=C(CNc1cc(N2CCC[C@H]2CO)nc[nH+]1)NCC1CC1 ZINC000302079932 534597957 /nfs/dbraw/zinc/59/79/57/534597957.db2.gz XLGBNMBFZRXETH-LBPRGKRZSA-N 1 2 305.382 0.376 10 0 DCAELO O=C(CNc1cc(N2CCC[C@H]2CO)[nH+]cn1)NCC1CC1 ZINC000302079932 534597961 /nfs/dbraw/zinc/59/79/61/534597961.db2.gz XLGBNMBFZRXETH-LBPRGKRZSA-N 1 2 305.382 0.376 10 0 DCAELO CN1C[C@@H](NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CCC1=O ZINC000158048750 524011013 /nfs/dbraw/zinc/01/10/13/524011013.db2.gz LEMJVPBMYAGNFC-GXTWGEPZSA-N 1 2 318.377 0.865 10 0 DCAELO C[C@@H]1CN(C(=O)c2nccn3ccnc23)C[C@@H]1[NH+]1CCOCC1 ZINC000266130652 524888019 /nfs/dbraw/zinc/88/80/19/524888019.db2.gz DDZMLFQWINTNPB-OLZOCXBDSA-N 1 2 315.377 0.522 10 0 DCAELO CC(=O)[C@@H](C)CCCCC(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000132908369 545795541 /nfs/dbraw/zinc/79/55/41/545795541.db2.gz BQXRBBRBTBYKFZ-DZGCQCFKSA-N 1 2 314.426 0.581 10 0 DCAELO Cc1ccc(N2CCC[N@@H+]([C@@H](C)c3nnnn3C)CC2)nn1 ZINC000189134844 545919712 /nfs/dbraw/zinc/91/97/12/545919712.db2.gz JYOQXBNKQZEEBW-LBPRGKRZSA-N 1 2 302.386 0.582 10 0 DCAELO Cc1ccc(N2CCC[N@H+]([C@@H](C)c3nnnn3C)CC2)nn1 ZINC000189134844 545919716 /nfs/dbraw/zinc/91/97/16/545919716.db2.gz JYOQXBNKQZEEBW-LBPRGKRZSA-N 1 2 302.386 0.582 10 0 DCAELO CCOc1cnc(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)cn1 ZINC000189935863 545922496 /nfs/dbraw/zinc/92/24/96/545922496.db2.gz YCMVAHDMQIHOGB-TZMCWYRMSA-N 1 2 320.393 0.668 10 0 DCAELO Cc1noc([C@H](C)NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC000332761026 546059372 /nfs/dbraw/zinc/05/93/72/546059372.db2.gz RKICNQPQJPRVFT-ZMLRMANQSA-N 1 2 309.370 0.554 10 0 DCAELO Cc1noc([C@H](C)NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000332761026 546059376 /nfs/dbraw/zinc/05/93/76/546059376.db2.gz RKICNQPQJPRVFT-ZMLRMANQSA-N 1 2 309.370 0.554 10 0 DCAELO C[C@@H](Cn1cccn1)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000332910587 546066080 /nfs/dbraw/zinc/06/60/80/546066080.db2.gz WWMPKDUEIFVXMO-UONOGXRCSA-N 1 2 307.398 0.388 10 0 DCAELO CNc1ncnc2cc(C(=O)NC[C@H]3C[N@H+](C)CCO3)ccc21 ZINC000667605260 546627284 /nfs/dbraw/zinc/62/72/84/546627284.db2.gz CHQIOQKDCSKZOW-LBPRGKRZSA-N 1 2 315.377 0.732 10 0 DCAELO CNc1ncnc2cc(C(=O)NC[C@H]3C[N@@H+](C)CCO3)ccc21 ZINC000667605260 546627287 /nfs/dbraw/zinc/62/72/87/546627287.db2.gz CHQIOQKDCSKZOW-LBPRGKRZSA-N 1 2 315.377 0.732 10 0 DCAELO O=S1(=O)CCC[C@H]1C[NH2+]Cc1nc(Br)c[nH]1 ZINC000309297704 658677880 /nfs/dbraw/zinc/67/78/80/658677880.db2.gz XKVWSSNKCJUATF-ZETCQYMHSA-N 1 2 308.201 0.839 10 0 DCAELO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CC(=O)N1CCO[C@H](C)C1 ZINC000248887315 661535269 /nfs/dbraw/zinc/53/52/69/661535269.db2.gz YBOLKUZQDRRSMB-COMQUAJESA-N 1 2 310.394 0.507 10 0 DCAELO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CC(=O)N1CCO[C@H](C)C1 ZINC000248887315 661535270 /nfs/dbraw/zinc/53/52/70/661535270.db2.gz YBOLKUZQDRRSMB-COMQUAJESA-N 1 2 310.394 0.507 10 0 DCAELO C/C(=C/C(=O)N1CC[C@H](n2ccnn2)C1)C[NH+]1CCOCC1 ZINC000911823590 664112794 /nfs/dbraw/zinc/11/27/94/664112794.db2.gz QZIXBKXCVVEEOE-ZVHGMHCTSA-N 1 2 305.382 0.330 10 0 DCAELO CC(C)(CNC(=O)CN1CCCC[C@H](O)C1=O)n1cc[nH+]c1 ZINC000912615051 664197294 /nfs/dbraw/zinc/19/72/94/664197294.db2.gz UEORGLNBDWOOGX-LBPRGKRZSA-N 1 2 308.382 0.108 10 0 DCAELO O=c1ccc2ccc(OC[C@H](O)C[NH+]3CCOCC3)cc2o1 ZINC000153022129 664787407 /nfs/dbraw/zinc/78/74/07/664787407.db2.gz DSEVUJLVGDAOEW-CYBMUJFWSA-N 1 2 305.330 0.865 10 0 DCAELO O=C(C[N@@H+]1CCCC2(C1)OCCO2)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000136148677 667696830 /nfs/dbraw/zinc/69/68/30/667696830.db2.gz GTPAMBFNVPVAPG-LSDHHAIUSA-N 1 2 324.421 0.995 10 0 DCAELO O=C(C[N@H+]1CCCC2(C1)OCCO2)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000136148677 667696832 /nfs/dbraw/zinc/69/68/32/667696832.db2.gz GTPAMBFNVPVAPG-LSDHHAIUSA-N 1 2 324.421 0.995 10 0 DCAELO COC[C@@]1(C)NC(=O)N(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)C1=O ZINC000116258059 671029687 /nfs/dbraw/zinc/02/96/87/671029687.db2.gz NFMUVMNKHZMPKX-XHDPSFHLSA-N 1 2 321.381 0.124 10 0 DCAELO COC[C@@]1(C)NC(=O)N(C[N@H+]2CC[C@H](c3cnn(C)c3)C2)C1=O ZINC000116258059 671029690 /nfs/dbraw/zinc/02/96/90/671029690.db2.gz NFMUVMNKHZMPKX-XHDPSFHLSA-N 1 2 321.381 0.124 10 0 DCAELO Cn1c[nH+]c(CCNC(=O)c2c(Br)nnn2C)c1 ZINC000313492931 1190395806 /nfs/dbraw/zinc/39/58/06/1190395806.db2.gz LGXNENHDEMZTFU-UHFFFAOYSA-N 1 2 313.159 0.284 10 0 DCAELO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)COc1cnn(C)c1 ZINC000560740456 288517573 /nfs/dbraw/zinc/51/75/73/288517573.db2.gz ZFHKMBPMGWVXAG-OLZOCXBDSA-N 1 2 308.382 0.121 10 0 DCAELO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)NCc2ccccc2)CCO1 ZINC000275948642 529852009 /nfs/dbraw/zinc/85/20/09/529852009.db2.gz LYQOXWYGRNROOF-CQSZACIVSA-N 1 2 320.393 0.014 10 0 DCAELO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)NCc2ccccc2)CCO1 ZINC000275948642 529852011 /nfs/dbraw/zinc/85/20/11/529852011.db2.gz LYQOXWYGRNROOF-CQSZACIVSA-N 1 2 320.393 0.014 10 0 DCAELO CN(CC(N)=O)C[C@H]1C[N@H+](Cc2ccc3c[nH]nc3c2)CCO1 ZINC000275822539 529852513 /nfs/dbraw/zinc/85/25/13/529852513.db2.gz UUVWODAFCLOROI-AWEZNQCLSA-N 1 2 317.393 0.181 10 0 DCAELO CN(CC(N)=O)C[C@H]1C[N@@H+](Cc2ccc3c[nH]nc3c2)CCO1 ZINC000275822539 529852514 /nfs/dbraw/zinc/85/25/14/529852514.db2.gz UUVWODAFCLOROI-AWEZNQCLSA-N 1 2 317.393 0.181 10 0 DCAELO C[N@@H+](CC(N)=O)C[C@H]1CN(Cc2ccc3c[nH]nc3c2)CCO1 ZINC000275822539 529852515 /nfs/dbraw/zinc/85/25/15/529852515.db2.gz UUVWODAFCLOROI-AWEZNQCLSA-N 1 2 317.393 0.181 10 0 DCAELO C[N@H+](CC(N)=O)C[C@H]1CN(Cc2ccc3c[nH]nc3c2)CCO1 ZINC000275822539 529852516 /nfs/dbraw/zinc/85/25/16/529852516.db2.gz UUVWODAFCLOROI-AWEZNQCLSA-N 1 2 317.393 0.181 10 0 DCAELO CNC(=O)[C@@H]1CCCN1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000179268997 529902387 /nfs/dbraw/zinc/90/23/87/529902387.db2.gz BCDWIAOLKYINPZ-LBPRGKRZSA-N 1 2 312.414 0.017 10 0 DCAELO CNC(=O)[C@@H]1CCCN1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000179268997 529902389 /nfs/dbraw/zinc/90/23/89/529902389.db2.gz BCDWIAOLKYINPZ-LBPRGKRZSA-N 1 2 312.414 0.017 10 0 DCAELO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000115570337 282352458 /nfs/dbraw/zinc/35/24/58/282352458.db2.gz FNUVRMKEIHMRLS-GFCCVEGCSA-N 1 2 304.350 0.309 10 0 DCAELO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000115570337 282352462 /nfs/dbraw/zinc/35/24/62/282352462.db2.gz FNUVRMKEIHMRLS-GFCCVEGCSA-N 1 2 304.350 0.309 10 0 DCAELO Cc1[nH+]c2ccccc2n1CC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000172372620 198087194 /nfs/dbraw/zinc/08/71/94/198087194.db2.gz LULDSFCQYZVYQN-LLVKDONJSA-N 1 2 321.402 0.990 10 0 DCAELO CC(C)C[C@H]1COCC[N@@H+]1CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000073166883 191288567 /nfs/dbraw/zinc/28/85/67/191288567.db2.gz REPDCJHNSKRTGL-KBPBESRZSA-N 1 2 311.426 0.457 10 0 DCAELO CC(C)C[C@H]1COCC[N@H+]1CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000073166883 191288569 /nfs/dbraw/zinc/28/85/69/191288569.db2.gz REPDCJHNSKRTGL-KBPBESRZSA-N 1 2 311.426 0.457 10 0 DCAELO COC(=O)C[C@@H](C)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000132370342 291102415 /nfs/dbraw/zinc/10/24/15/291102415.db2.gz ICMMWNWXZOFKLK-KGLIPLIRSA-N 1 2 312.410 0.899 10 0 DCAELO Cc1ncc(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c(C)n1 ZINC000180485315 199165416 /nfs/dbraw/zinc/16/54/16/199165416.db2.gz KIJUQVONAQUQSP-IAQYHMDHSA-N 1 2 304.394 0.886 10 0 DCAELO C[C@@H]1CN(C(=O)c2cc(F)c(F)c(O)c2F)CC[N@@H+]1CCO ZINC000187274254 200087039 /nfs/dbraw/zinc/08/70/39/200087039.db2.gz AMVPKQPKCKAQPU-MRVPVSSYSA-N 1 2 318.295 0.948 10 0 DCAELO C[C@@H]1CN(C(=O)c2cc(F)c(F)c(O)c2F)CC[N@H+]1CCO ZINC000187274254 200087041 /nfs/dbraw/zinc/08/70/41/200087041.db2.gz AMVPKQPKCKAQPU-MRVPVSSYSA-N 1 2 318.295 0.948 10 0 DCAELO CCN(CC)C(=O)[C@H]1CCCN1C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000188449448 200248169 /nfs/dbraw/zinc/24/81/69/200248169.db2.gz ITEPQTNNQYBUKU-CYBMUJFWSA-N 1 2 319.409 0.528 10 0 DCAELO COCc1nc(C)c(C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)s1 ZINC000188724285 200294592 /nfs/dbraw/zinc/29/45/92/200294592.db2.gz XIDNVXBYWDSRSZ-JTQLQIEISA-N 1 2 313.423 0.737 10 0 DCAELO COCc1nc(C)c(C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)s1 ZINC000188724285 200294594 /nfs/dbraw/zinc/29/45/94/200294594.db2.gz XIDNVXBYWDSRSZ-JTQLQIEISA-N 1 2 313.423 0.737 10 0 DCAELO CNc1nc(N2CCS(=O)CC2)[nH+]cc1Br ZINC000132392964 283699918 /nfs/dbraw/zinc/69/99/18/283699918.db2.gz QUFOIKTYHMSPQW-UHFFFAOYSA-N 1 2 305.201 0.850 10 0 DCAELO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)o1 ZINC000408396933 239267482 /nfs/dbraw/zinc/26/74/82/239267482.db2.gz VIUXPUABUADFJZ-WDEREUQCSA-N 1 2 302.396 0.664 10 0 DCAELO Cc1ccc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)o1 ZINC000408396933 239267487 /nfs/dbraw/zinc/26/74/87/239267487.db2.gz VIUXPUABUADFJZ-WDEREUQCSA-N 1 2 302.396 0.664 10 0 DCAELO Cn1cc(C(=O)N2CC[NH+](C3CC3)CC2)c([C@H]2CCOC2)n1 ZINC000275501578 212376046 /nfs/dbraw/zinc/37/60/46/212376046.db2.gz KJLFOTIUJFJYEA-LBPRGKRZSA-N 1 2 304.394 0.844 10 0 DCAELO COc1ccc(C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)c(OC)c1 ZINC000093530706 193264702 /nfs/dbraw/zinc/26/47/02/193264702.db2.gz TXRNOPVEFZUSIG-LBPRGKRZSA-N 1 2 314.407 0.827 10 0 DCAELO COc1ccc(C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)c(OC)c1 ZINC000093530706 193264704 /nfs/dbraw/zinc/26/47/04/193264704.db2.gz TXRNOPVEFZUSIG-LBPRGKRZSA-N 1 2 314.407 0.827 10 0 DCAELO COCCN(C)S(=O)(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000264737966 204114878 /nfs/dbraw/zinc/11/48/78/204114878.db2.gz JIZGVODSONTCIV-UHFFFAOYSA-N 1 2 302.400 0.132 10 0 DCAELO CC(=O)c1ccc(NC(=O)C[NH+](CCCO)CCCO)cc1 ZINC000017031727 182069881 /nfs/dbraw/zinc/06/98/81/182069881.db2.gz VRHGJAYZZJXLFD-UHFFFAOYSA-N 1 2 308.378 0.895 10 0 DCAELO O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172757002 284671201 /nfs/dbraw/zinc/67/12/01/284671201.db2.gz LSLLGHLNKCYLGS-GFCCVEGCSA-N 1 2 316.361 0.403 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)NCc2nccn2C(F)F)C1 ZINC000105225747 194086565 /nfs/dbraw/zinc/08/65/65/194086565.db2.gz DAAGSHNMUZDAFH-SECBINFHSA-N 1 2 303.313 0.408 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)NCc2nccn2C(F)F)C1 ZINC000105225747 194086568 /nfs/dbraw/zinc/08/65/68/194086568.db2.gz DAAGSHNMUZDAFH-SECBINFHSA-N 1 2 303.313 0.408 10 0 DCAELO Cc1nc(C[N@@H+]2CCCN(C(=O)[C@H]3CNC(=O)C3)CC2)cs1 ZINC000105819604 194136129 /nfs/dbraw/zinc/13/61/29/194136129.db2.gz QMFKXQOJVNHSJN-GFCCVEGCSA-N 1 2 322.434 0.622 10 0 DCAELO Cc1nc(C[N@H+]2CCCN(C(=O)[C@H]3CNC(=O)C3)CC2)cs1 ZINC000105819604 194136131 /nfs/dbraw/zinc/13/61/31/194136131.db2.gz QMFKXQOJVNHSJN-GFCCVEGCSA-N 1 2 322.434 0.622 10 0 DCAELO Cc1cc(NC(=O)C[N@@H+]2CCCN(c3cccnn3)CC2)on1 ZINC000105799305 194131726 /nfs/dbraw/zinc/13/17/26/194131726.db2.gz FEEKWLITZTZIIR-UHFFFAOYSA-N 1 2 316.365 0.924 10 0 DCAELO Cc1cc(NC(=O)C[N@H+]2CCCN(c3cccnn3)CC2)on1 ZINC000105799305 194131728 /nfs/dbraw/zinc/13/17/28/194131728.db2.gz FEEKWLITZTZIIR-UHFFFAOYSA-N 1 2 316.365 0.924 10 0 DCAELO CNC(=O)CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000185781631 252612927 /nfs/dbraw/zinc/61/29/27/252612927.db2.gz RTOFUQIOINDVNO-RYUDHWBXSA-N 1 2 320.393 0.448 10 0 DCAELO O=S(=O)(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000333182768 285041526 /nfs/dbraw/zinc/04/15/26/285041526.db2.gz QCHHTGYDTSNTHB-QKGCVVFFSA-N 1 2 314.451 0.958 10 0 DCAELO O=S(=O)(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000333182768 285041527 /nfs/dbraw/zinc/04/15/27/285041527.db2.gz QCHHTGYDTSNTHB-QKGCVVFFSA-N 1 2 314.451 0.958 10 0 DCAELO CN1CCO[C@@H]2CCN(C(=O)NCCCn3cc[nH+]c3)C[C@H]21 ZINC000284167614 131055430 /nfs/dbraw/zinc/05/54/30/131055430.db2.gz WVRIDGGHGZTBGB-ZIAGYGMSSA-N 1 2 307.398 0.388 10 0 DCAELO C[C@H]1OCCN(Cc2[nH+]ccn2CC(F)(F)F)[C@@H]1C(N)=O ZINC000284633162 131099196 /nfs/dbraw/zinc/09/91/96/131099196.db2.gz OCRHUNLFTUNCEO-SCZZXKLOSA-N 1 2 306.288 0.520 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCCc3nccs3)C[C@H]21 ZINC000285494514 131173824 /nfs/dbraw/zinc/17/38/24/131173824.db2.gz RJXSDUFKNZBJHM-VXGBXAGGSA-N 1 2 310.423 0.800 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCCc3nccs3)C[C@H]21 ZINC000285494514 131173827 /nfs/dbraw/zinc/17/38/27/131173827.db2.gz RJXSDUFKNZBJHM-VXGBXAGGSA-N 1 2 310.423 0.800 10 0 DCAELO C[C@@H](CNC(=O)CNC(=O)c1ccc(F)cc1)[NH+]1CCOCC1 ZINC000029960457 395701048 /nfs/dbraw/zinc/70/10/48/395701048.db2.gz ZJYBUYNHVJETIM-LBPRGKRZSA-N 1 2 323.368 0.392 10 0 DCAELO CC(C)Cn1ccnc(NC[C@H](O)C[NH+]2CCOCC2)c1=O ZINC000094132241 395739856 /nfs/dbraw/zinc/73/98/56/395739856.db2.gz TZRZKNNFPPBHOI-ZDUSSCGKSA-N 1 2 310.398 0.004 10 0 DCAELO Cc1noc(NC(=O)CSc2[nH+]cnc3c2cnn3C)n1 ZINC000108229134 395786802 /nfs/dbraw/zinc/78/68/02/395786802.db2.gz SNCXSOCPHFGQEK-UHFFFAOYSA-N 1 2 305.323 0.786 10 0 DCAELO COc1ccccc1OCCC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000194632818 395802448 /nfs/dbraw/zinc/80/24/48/395802448.db2.gz ONCJXUPZHJMYAO-ZDUSSCGKSA-N 1 2 308.378 0.911 10 0 DCAELO COc1ccccc1OCCC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000194632818 395802452 /nfs/dbraw/zinc/80/24/52/395802452.db2.gz ONCJXUPZHJMYAO-ZDUSSCGKSA-N 1 2 308.378 0.911 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)C1 ZINC000194724407 395805292 /nfs/dbraw/zinc/80/52/92/395805292.db2.gz ROXPXUKDLJQZCF-HIFRSBDPSA-N 1 2 321.352 0.766 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)C1 ZINC000194724407 395805295 /nfs/dbraw/zinc/80/52/95/395805295.db2.gz ROXPXUKDLJQZCF-HIFRSBDPSA-N 1 2 321.352 0.766 10 0 DCAELO CCc1nnc(CN2CC[NH+](CC(=O)NC(C)C)CC2)n1C ZINC000195030036 395813365 /nfs/dbraw/zinc/81/33/65/395813365.db2.gz WWBYOODDNFRLTL-UHFFFAOYSA-N 1 2 308.430 0.020 10 0 DCAELO CCc1nnc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)n1C ZINC000195049511 395813990 /nfs/dbraw/zinc/81/39/90/395813990.db2.gz LYHRSPNDOCUDEH-ZDUSSCGKSA-N 1 2 321.425 0.448 10 0 DCAELO CCc1nnc(C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)n1C ZINC000195049511 395813993 /nfs/dbraw/zinc/81/39/93/395813993.db2.gz LYHRSPNDOCUDEH-ZDUSSCGKSA-N 1 2 321.425 0.448 10 0 DCAELO CCOC(=O)c1c(C)c[nH]c1CC(=O)NCC[NH+]1CCOCC1 ZINC000113214638 395828475 /nfs/dbraw/zinc/82/84/75/395828475.db2.gz ZCASBDWGLJWLKX-UHFFFAOYSA-N 1 2 323.393 0.491 10 0 DCAELO C[C@H]1CN(c2ccc(CNC(=O)NCCCO)c[nH+]2)C[C@H](C)O1 ZINC000047598326 395796962 /nfs/dbraw/zinc/79/69/62/395796962.db2.gz BCVKTBZVKKOWLI-STQMWFEESA-N 1 2 322.409 0.877 10 0 DCAELO Cn1ncc(C(=O)NC[C@H]2C[N@H+](C)CCO2)c1Br ZINC000273289254 395912122 /nfs/dbraw/zinc/91/21/22/395912122.db2.gz XTVSSDQHQIWZJE-QMMMGPOBSA-N 1 2 317.187 0.243 10 0 DCAELO Cn1ncc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)c1Br ZINC000273289254 395912125 /nfs/dbraw/zinc/91/21/25/395912125.db2.gz XTVSSDQHQIWZJE-QMMMGPOBSA-N 1 2 317.187 0.243 10 0 DCAELO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C2=NNC(=O)CC2)C1 ZINC000119803793 395875986 /nfs/dbraw/zinc/87/59/86/395875986.db2.gz HDBGQGJKOXLLQI-NSHDSACASA-N 1 2 303.366 0.467 10 0 DCAELO CC[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc(F)cc2)C1 ZINC000134702079 395933693 /nfs/dbraw/zinc/93/36/93/395933693.db2.gz WHMPXOXLXUEHJA-LBPRGKRZSA-N 1 2 302.371 0.825 10 0 DCAELO CC[N@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc(F)cc2)C1 ZINC000134702079 395933696 /nfs/dbraw/zinc/93/36/96/395933696.db2.gz WHMPXOXLXUEHJA-LBPRGKRZSA-N 1 2 302.371 0.825 10 0 DCAELO C[NH+](C)CCc1nc(O)c(I)c(=O)[nH]1 ZINC000134768372 395934907 /nfs/dbraw/zinc/93/49/07/395934907.db2.gz JOTFBSOAHJLLNM-UHFFFAOYSA-N 1 2 309.107 0.184 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[C@@](O)(C(F)(F)F)C2)C1 ZINC000246228622 395944632 /nfs/dbraw/zinc/94/46/32/395944632.db2.gz PZMSDJUDVKZJMT-ONGXEEELSA-N 1 2 311.304 0.026 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)N2CC[C@@](O)(C(F)(F)F)C2)C1 ZINC000246228622 395944633 /nfs/dbraw/zinc/94/46/33/395944633.db2.gz PZMSDJUDVKZJMT-ONGXEEELSA-N 1 2 311.304 0.026 10 0 DCAELO C[C@H]1CN(c2cc(N3CCN(C)C(=O)C3)nc[nH+]2)CCS1 ZINC000274409048 395945902 /nfs/dbraw/zinc/94/59/02/395945902.db2.gz ZMXPUIONWXKKNW-NSHDSACASA-N 1 2 307.423 0.697 10 0 DCAELO C[C@H]1CN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CCS1 ZINC000274409048 395945905 /nfs/dbraw/zinc/94/59/05/395945905.db2.gz ZMXPUIONWXKKNW-NSHDSACASA-N 1 2 307.423 0.697 10 0 DCAELO COC(=O)[C@@H](C)CS(=O)(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246523246 395952031 /nfs/dbraw/zinc/95/20/31/395952031.db2.gz UJLHLGFMWVQCIM-RYUDHWBXSA-N 1 2 304.412 0.295 10 0 DCAELO COC(=O)[C@@H](C)CS(=O)(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000246523246 395952033 /nfs/dbraw/zinc/95/20/33/395952033.db2.gz UJLHLGFMWVQCIM-RYUDHWBXSA-N 1 2 304.412 0.295 10 0 DCAELO CC[N@H+](C[C@H](C)CS(C)(=O)=O)[C@H](C)CS(=O)(=O)CC ZINC000246557210 395952711 /nfs/dbraw/zinc/95/27/11/395952711.db2.gz NAOSIVJDTTZRIJ-NWDGAFQWSA-N 1 2 313.485 0.812 10 0 DCAELO CC[N@@H+](C[C@H](C)CS(C)(=O)=O)[C@H](C)CS(=O)(=O)CC ZINC000246557210 395952713 /nfs/dbraw/zinc/95/27/13/395952713.db2.gz NAOSIVJDTTZRIJ-NWDGAFQWSA-N 1 2 313.485 0.812 10 0 DCAELO Cc1cc(NC(=O)CN2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n(C)n1 ZINC000246619983 395954017 /nfs/dbraw/zinc/95/40/17/395954017.db2.gz YRQUDJGDJUTNIE-OCCSQVGLSA-N 1 2 321.425 0.320 10 0 DCAELO C[C@H]([NH2+][C@@H](C)c1cn(-c2ccccc2)nn1)C(=O)NC(N)=O ZINC000151243984 395981881 /nfs/dbraw/zinc/98/18/81/395981881.db2.gz XSKKVGKTURPBTE-UWVGGRQHSA-N 1 2 302.338 0.501 10 0 DCAELO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000248807203 395997470 /nfs/dbraw/zinc/99/74/70/395997470.db2.gz HCFDGBKVTRLLNO-PAURTPPISA-N 1 2 324.421 0.896 10 0 DCAELO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000248807203 395997473 /nfs/dbraw/zinc/99/74/73/395997473.db2.gz HCFDGBKVTRLLNO-PAURTPPISA-N 1 2 324.421 0.896 10 0 DCAELO CC(C)CS(=O)(=O)CCC(=O)N1[C@H](C)C[N@@H+](C)C[C@@H]1C ZINC000155594688 396055120 /nfs/dbraw/zinc/05/51/20/396055120.db2.gz KBHXIRZMEIGKOH-BETUJISGSA-N 1 2 304.456 0.998 10 0 DCAELO CC(C)CS(=O)(=O)CCC(=O)N1[C@H](C)C[N@H+](C)C[C@@H]1C ZINC000155594688 396055124 /nfs/dbraw/zinc/05/51/24/396055124.db2.gz KBHXIRZMEIGKOH-BETUJISGSA-N 1 2 304.456 0.998 10 0 DCAELO C[C@@H](NC(=O)C[N@@H+]1CC[C@H](Oc2cccnc2)C1)C(=O)N(C)C ZINC000152230975 396003700 /nfs/dbraw/zinc/00/37/00/396003700.db2.gz APANJEDDARVOEZ-OCCSQVGLSA-N 1 2 320.393 0.128 10 0 DCAELO C[C@@H](NC(=O)C[N@H+]1CC[C@H](Oc2cccnc2)C1)C(=O)N(C)C ZINC000152230975 396003705 /nfs/dbraw/zinc/00/37/05/396003705.db2.gz APANJEDDARVOEZ-OCCSQVGLSA-N 1 2 320.393 0.128 10 0 DCAELO NC(=O)C1([NH2+]Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)CC1 ZINC000152417641 396009183 /nfs/dbraw/zinc/00/91/83/396009183.db2.gz PRMQAYMYSNGOAO-UHFFFAOYSA-N 1 2 304.375 0.581 10 0 DCAELO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)CC(=O)NC2CC2)C[C@H](C)O1 ZINC000252443486 396019289 /nfs/dbraw/zinc/01/92/89/396019289.db2.gz ZKEDNKPKUYYANQ-OUCADQQQSA-N 1 2 311.426 0.611 10 0 DCAELO CC[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)CC(=O)NC2CC2)C[C@H](C)O1 ZINC000252443486 396019290 /nfs/dbraw/zinc/01/92/90/396019290.db2.gz ZKEDNKPKUYYANQ-OUCADQQQSA-N 1 2 311.426 0.611 10 0 DCAELO COC(=O)Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000070302936 396100615 /nfs/dbraw/zinc/10/06/15/396100615.db2.gz ISRKWPWCLKDOMD-UHFFFAOYSA-N 1 2 312.391 0.338 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)N[C@H](CO)Cc2ccccc2)C1 ZINC000171706374 396122325 /nfs/dbraw/zinc/12/23/25/396122325.db2.gz PZMQUPKJWXPKME-LSDHHAIUSA-N 1 2 307.394 0.220 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)N[C@H](CO)Cc2ccccc2)C1 ZINC000171706374 396122331 /nfs/dbraw/zinc/12/23/31/396122331.db2.gz PZMQUPKJWXPKME-LSDHHAIUSA-N 1 2 307.394 0.220 10 0 DCAELO C[N@@H+]1CCO[C@@H](CN(CC2CC2)c2ccc(C(N)=O)nn2)C1 ZINC000278665548 396138070 /nfs/dbraw/zinc/13/80/70/396138070.db2.gz FPPXNQXZPZTMIY-GFCCVEGCSA-N 1 2 305.382 0.123 10 0 DCAELO C[N@H+]1CCO[C@@H](CN(CC2CC2)c2ccc(C(N)=O)nn2)C1 ZINC000278665548 396138076 /nfs/dbraw/zinc/13/80/76/396138076.db2.gz FPPXNQXZPZTMIY-GFCCVEGCSA-N 1 2 305.382 0.123 10 0 DCAELO CCOC(=O)C1CCN(C(=O)C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000069537375 396082941 /nfs/dbraw/zinc/08/29/41/396082941.db2.gz ARTRNGXCCKVCOE-CHWSQXEVSA-N 1 2 312.410 0.897 10 0 DCAELO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CCc1ccccc1O ZINC000176569191 396157272 /nfs/dbraw/zinc/15/72/72/396157272.db2.gz HSQRFXZXVYJAGN-HNNXBMFYSA-N 1 2 322.405 0.476 10 0 DCAELO C[C@@H](CS(C)(=O)=O)NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000177519626 396178027 /nfs/dbraw/zinc/17/80/27/396178027.db2.gz SIEHDAWFSNPGBL-RYUDHWBXSA-N 1 2 314.411 0.490 10 0 DCAELO O=C(NCCNC(=O)[C@H]1CC(F)(F)C[NH2+]1)c1ccc(F)cc1 ZINC000263102599 396201451 /nfs/dbraw/zinc/20/14/51/396201451.db2.gz ZQAHOPMMZDFWJJ-LLVKDONJSA-N 1 2 315.295 0.669 10 0 DCAELO C[C@@H](NC(=O)NCCCn1ccnn1)[C@@H](C)[NH+]1CCOCC1 ZINC000182726971 396253383 /nfs/dbraw/zinc/25/33/83/396253383.db2.gz RJWULWUDCDBDNG-CHWSQXEVSA-N 1 2 310.402 0.077 10 0 DCAELO COc1ccccc1C(=O)C(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000183952594 396279075 /nfs/dbraw/zinc/27/90/75/396279075.db2.gz QEQJACFEESHQMB-CHWSQXEVSA-N 1 2 320.389 0.791 10 0 DCAELO COc1ccccc1C(=O)C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000183952594 396279077 /nfs/dbraw/zinc/27/90/77/396279077.db2.gz QEQJACFEESHQMB-CHWSQXEVSA-N 1 2 320.389 0.791 10 0 DCAELO COCC(=O)NC1C[NH+](C[C@@H](O)COc2ccccc2F)C1 ZINC000185089898 396316914 /nfs/dbraw/zinc/31/69/14/396316914.db2.gz VDEGDMFQJZFZDO-GFCCVEGCSA-N 1 2 312.341 0.012 10 0 DCAELO O=C(NC1C[NH+](C[C@H](O)COCc2ccco2)C1)C1CCC1 ZINC000185935892 396337981 /nfs/dbraw/zinc/33/79/81/396337981.db2.gz ILKUKNKRQCMFCE-AWEZNQCLSA-N 1 2 308.378 0.758 10 0 DCAELO CCN(C)C(=O)CNC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186234430 396345568 /nfs/dbraw/zinc/34/55/68/396345568.db2.gz VUEVTJOVKZQCHL-UHFFFAOYSA-N 1 2 319.409 0.782 10 0 DCAELO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1cn2ccnc2s1 ZINC000188501925 396383079 /nfs/dbraw/zinc/38/30/79/396383079.db2.gz LBFUDMSIZVSLMF-NSHDSACASA-N 1 2 306.391 0.989 10 0 DCAELO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1cn2ccnc2s1 ZINC000188501925 396383081 /nfs/dbraw/zinc/38/30/81/396383081.db2.gz LBFUDMSIZVSLMF-NSHDSACASA-N 1 2 306.391 0.989 10 0 DCAELO Cc1nc(CC(C)C)oc1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000189043430 396389912 /nfs/dbraw/zinc/38/99/12/396389912.db2.gz VWRJZWYMXYXRDU-CYBMUJFWSA-N 1 2 306.410 0.911 10 0 DCAELO C[C@@H]1C(=O)NCCC[N@H+]1CC(=O)NC(=O)NCc1cccs1 ZINC000189341502 396394489 /nfs/dbraw/zinc/39/44/89/396394489.db2.gz NXJPPPJSWPGMDC-SNVBAGLBSA-N 1 2 324.406 0.284 10 0 DCAELO C[C@@H]1C(=O)NCCC[N@@H+]1CC(=O)NC(=O)NCc1cccs1 ZINC000189341502 396394492 /nfs/dbraw/zinc/39/44/92/396394492.db2.gz NXJPPPJSWPGMDC-SNVBAGLBSA-N 1 2 324.406 0.284 10 0 DCAELO COc1cc(N2CC[NH+](C[C@@H](O)CC(F)(F)F)CC2)ncn1 ZINC000189977290 396401308 /nfs/dbraw/zinc/40/13/08/396401308.db2.gz CHMPAHQGBKYMAG-JTQLQIEISA-N 1 2 320.315 0.921 10 0 DCAELO COCCN1CCC[N@@H+]([C@@H](C)C(=O)NCCC(C)C)CC1=O ZINC000190772278 396410910 /nfs/dbraw/zinc/41/09/10/396410910.db2.gz JLVDBLCQOPWSJQ-AWEZNQCLSA-N 1 2 313.442 0.718 10 0 DCAELO COCCN1CCC[N@H+]([C@@H](C)C(=O)NCCC(C)C)CC1=O ZINC000190772278 396410913 /nfs/dbraw/zinc/41/09/13/396410913.db2.gz JLVDBLCQOPWSJQ-AWEZNQCLSA-N 1 2 313.442 0.718 10 0 DCAELO C[C@H](C(=O)NCc1ccccc1F)[N@@H+]1CCCN(C)C(=O)C1 ZINC000191131357 396415701 /nfs/dbraw/zinc/41/57/01/396415701.db2.gz VYZJNSYGDQSLRE-GFCCVEGCSA-N 1 2 307.369 0.995 10 0 DCAELO C[C@H](C(=O)NCc1ccccc1F)[N@H+]1CCCN(C)C(=O)C1 ZINC000191131357 396415704 /nfs/dbraw/zinc/41/57/04/396415704.db2.gz VYZJNSYGDQSLRE-GFCCVEGCSA-N 1 2 307.369 0.995 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNS(=O)(=O)CCc2cccs2)C1 ZINC000192018983 396428513 /nfs/dbraw/zinc/42/85/13/396428513.db2.gz PDIKLGXZDPPVAI-NSHDSACASA-N 1 2 304.437 0.541 10 0 DCAELO C[N@H+]1CCO[C@@H](CNS(=O)(=O)CCc2cccs2)C1 ZINC000192018983 396428514 /nfs/dbraw/zinc/42/85/14/396428514.db2.gz PDIKLGXZDPPVAI-NSHDSACASA-N 1 2 304.437 0.541 10 0 DCAELO O=C1NCC[C@@H]1[NH2+]Cc1ncc(I)s1 ZINC000594967596 396542415 /nfs/dbraw/zinc/54/24/15/396542415.db2.gz UHGRMXZCYINUDY-YFKPBYRVSA-N 1 2 323.159 0.726 10 0 DCAELO CC(C)N1CC[N@H+](C[C@@H](O)COC[C@H]2CCCO2)CC1=O ZINC000561530796 396643456 /nfs/dbraw/zinc/64/34/56/396643456.db2.gz QOVLWKJHIRGSFG-ZIAGYGMSSA-N 1 2 300.399 0.096 10 0 DCAELO CC(C)N1CC[N@@H+](C[C@@H](O)COC[C@H]2CCCO2)CC1=O ZINC000561530796 396643458 /nfs/dbraw/zinc/64/34/58/396643458.db2.gz QOVLWKJHIRGSFG-ZIAGYGMSSA-N 1 2 300.399 0.096 10 0 DCAELO COC(=O)[C@@H]([NH2+]C[C@@H](O)COC[C@@H]1CCCO1)C(C)(C)C ZINC000610989644 396797857 /nfs/dbraw/zinc/79/78/57/396797857.db2.gz RMUNLKGFZMEAEO-FRRDWIJNSA-N 1 2 303.399 0.720 10 0 DCAELO CCCn1cc(C(=O)N(CC(N)=O)C[C@@H]2C[N@H+](C)CCO2)cn1 ZINC000328627422 396825287 /nfs/dbraw/zinc/82/52/87/396825287.db2.gz GCGLKFDZSAZMTD-ZDUSSCGKSA-N 1 2 323.397 0.601 10 0 DCAELO CCCn1cc(C(=O)N(CC(N)=O)C[C@@H]2C[N@@H+](C)CCO2)cn1 ZINC000328627422 396825291 /nfs/dbraw/zinc/82/52/91/396825291.db2.gz GCGLKFDZSAZMTD-ZDUSSCGKSA-N 1 2 323.397 0.601 10 0 DCAELO CN1CCN(C(=O)c2n[nH]c3c2CCC3)C[C@@H]1c1[nH]cc[nH+]1 ZINC000328634526 396827196 /nfs/dbraw/zinc/82/71/96/396827196.db2.gz UCEXVDOFCRDVMK-GFCCVEGCSA-N 1 2 300.366 0.750 10 0 DCAELO Cc1cc(C(=O)N2CCN(C)[C@@H](c3[nH]cc[nH+]3)C2)nc(C)n1 ZINC000328637453 396829622 /nfs/dbraw/zinc/82/96/22/396829622.db2.gz VYZZVMQXOLAYCZ-CYBMUJFWSA-N 1 2 300.366 0.945 10 0 DCAELO CCn1cnnc1[C@H]1C[N@H+](C[C@H](O)COCC(C)C)CCO1 ZINC000328653088 396831480 /nfs/dbraw/zinc/83/14/80/396831480.db2.gz WSXXBJXODJWYDM-UONOGXRCSA-N 1 2 312.414 0.705 10 0 DCAELO CCn1cnnc1[C@H]1C[N@@H+](C[C@H](O)COCC(C)C)CCO1 ZINC000328653088 396831482 /nfs/dbraw/zinc/83/14/82/396831482.db2.gz WSXXBJXODJWYDM-UONOGXRCSA-N 1 2 312.414 0.705 10 0 DCAELO Cc1nc([C@H]2CCCN2C(=O)NC[C@H]2C[N@H+](C)CCO2)no1 ZINC000332805675 396894761 /nfs/dbraw/zinc/89/47/61/396894761.db2.gz JJXGVDAEUYFDGD-NWDGAFQWSA-N 1 2 309.370 0.555 10 0 DCAELO Cc1nc([C@H]2CCCN2C(=O)NC[C@H]2C[N@@H+](C)CCO2)no1 ZINC000332805675 396894764 /nfs/dbraw/zinc/89/47/64/396894764.db2.gz JJXGVDAEUYFDGD-NWDGAFQWSA-N 1 2 309.370 0.555 10 0 DCAELO CCOC(=O)CCN(C)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000573054936 397128399 /nfs/dbraw/zinc/12/83/99/397128399.db2.gz RWIWRRDKPMPFHX-UHFFFAOYSA-N 1 2 318.333 0.684 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@]1(CO)CCOC1)C2 ZINC000364551818 397219805 /nfs/dbraw/zinc/21/98/05/397219805.db2.gz OXWKNLJAPMTCKM-ZBEGNZNMSA-N 1 2 307.394 0.906 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@]1(CO)CCOC1)CC2 ZINC000364551818 397219810 /nfs/dbraw/zinc/21/98/10/397219810.db2.gz OXWKNLJAPMTCKM-ZBEGNZNMSA-N 1 2 307.394 0.906 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCNC(=O)[C@H]1C)C2 ZINC000364550601 397220567 /nfs/dbraw/zinc/22/05/67/397220567.db2.gz HSOFHDGEWYBBJY-GHMZBOCLSA-N 1 2 304.394 0.985 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCNC(=O)[C@H]1C)CC2 ZINC000364550601 397220575 /nfs/dbraw/zinc/22/05/75/397220575.db2.gz HSOFHDGEWYBBJY-GHMZBOCLSA-N 1 2 304.394 0.985 10 0 DCAELO CC(=O)c1cccc(OC[C@@H](O)C[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)c1 ZINC000593100564 397326331 /nfs/dbraw/zinc/32/63/31/397326331.db2.gz LCKGSTMBKZVVHE-FNHFSTKRSA-N 1 2 323.414 0.834 10 0 DCAELO CC(=O)c1cccc(OC[C@@H](O)C[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)c1 ZINC000593100564 397326334 /nfs/dbraw/zinc/32/63/34/397326334.db2.gz LCKGSTMBKZVVHE-FNHFSTKRSA-N 1 2 323.414 0.834 10 0 DCAELO COCCCS(=O)(=O)NCC[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000245477149 292373143 /nfs/dbraw/zinc/37/31/43/292373143.db2.gz UEWSLZMAROLWKA-KGLIPLIRSA-N 1 2 320.455 0.586 10 0 DCAELO COCCCS(=O)(=O)NCC[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000245477149 292373145 /nfs/dbraw/zinc/37/31/45/292373145.db2.gz UEWSLZMAROLWKA-KGLIPLIRSA-N 1 2 320.455 0.586 10 0 DCAELO Nc1cc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc(Cl)n1 ZINC000062985013 158029640 /nfs/dbraw/zinc/02/96/40/158029640.db2.gz UPQAYMNMDORMPR-LLVKDONJSA-N 1 2 310.785 0.864 10 0 DCAELO CCCC[C@H](NC(N)=O)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000065585969 158034753 /nfs/dbraw/zinc/03/47/53/158034753.db2.gz AGMBCVAGVQSBJF-LBPRGKRZSA-N 1 2 307.398 0.991 10 0 DCAELO CC(=O)N[C@@H](CC(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000067848664 158041026 /nfs/dbraw/zinc/04/10/26/158041026.db2.gz DLXVXJVQERVBDS-INIZCTEOSA-N 1 2 319.405 0.702 10 0 DCAELO CCCS(=O)(=O)N1CCC[C@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000070979581 158048810 /nfs/dbraw/zinc/04/88/10/158048810.db2.gz IKCGAMZPQXNJIM-NSHDSACASA-N 1 2 314.411 0.572 10 0 DCAELO C[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CC[NH+](CCO)CC1 ZINC000078762226 158074412 /nfs/dbraw/zinc/07/44/12/158074412.db2.gz JAOJOAWMGKCPIK-CYBMUJFWSA-N 1 2 320.393 0.333 10 0 DCAELO CS(=O)(=O)Nc1cc(NC(=O)[C@H]2COCC[NH2+]2)ccc1F ZINC000088369915 158095022 /nfs/dbraw/zinc/09/50/22/158095022.db2.gz PIWJGDVEVBWEEA-LLVKDONJSA-N 1 2 317.342 0.124 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)NCC(=O)NC2CCCCC2)C1 ZINC000104798801 158129661 /nfs/dbraw/zinc/12/96/61/158129661.db2.gz RZDVFMHHCRHXHQ-ZDUSSCGKSA-N 1 2 312.414 0.065 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)NCC(=O)NC2CCCCC2)C1 ZINC000104798801 158129662 /nfs/dbraw/zinc/12/96/62/158129662.db2.gz RZDVFMHHCRHXHQ-ZDUSSCGKSA-N 1 2 312.414 0.065 10 0 DCAELO CCOC(=O)CN1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC000105915304 158132311 /nfs/dbraw/zinc/13/23/11/158132311.db2.gz GEWSBIKUXAUFOF-OAHLLOKOSA-N 1 2 313.442 0.276 10 0 DCAELO COC(=O)c1ccc(CCC(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000109264615 158136500 /nfs/dbraw/zinc/13/65/00/158136500.db2.gz MHVCOCAJZIKUQP-HNNXBMFYSA-N 1 2 320.389 0.853 10 0 DCAELO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)CC2CC2)CC1 ZINC000110817735 158138418 /nfs/dbraw/zinc/13/84/18/158138418.db2.gz XKUACNYBTGDQHD-ZDUSSCGKSA-N 1 2 309.410 0.178 10 0 DCAELO C[C@@H](C(=O)N1CCCCC1)[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116994711 158168805 /nfs/dbraw/zinc/16/88/05/158168805.db2.gz ULOFMAMYBARZJD-RYUDHWBXSA-N 1 2 303.428 0.011 10 0 DCAELO C[C@@H](C(=O)N1CCCCC1)[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116994711 158168806 /nfs/dbraw/zinc/16/88/06/158168806.db2.gz ULOFMAMYBARZJD-RYUDHWBXSA-N 1 2 303.428 0.011 10 0 DCAELO CC[C@H]1CN(S(=O)(=O)N2CCCCC2)CC[N@@H+]1CCOC ZINC000117372067 158171951 /nfs/dbraw/zinc/17/19/51/158171951.db2.gz OKZJKDQWRWLUKJ-AWEZNQCLSA-N 1 2 319.471 0.760 10 0 DCAELO CC[C@H]1CN(S(=O)(=O)N2CCCCC2)CC[N@H+]1CCOC ZINC000117372067 158171953 /nfs/dbraw/zinc/17/19/53/158171953.db2.gz OKZJKDQWRWLUKJ-AWEZNQCLSA-N 1 2 319.471 0.760 10 0 DCAELO O=C(CCc1ccccc1O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000129113094 158285985 /nfs/dbraw/zinc/28/59/85/158285985.db2.gz IDYSUFRCDORJHX-AWEZNQCLSA-N 1 2 308.378 0.134 10 0 DCAELO CCC(=O)N1CC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000135143713 158333947 /nfs/dbraw/zinc/33/39/47/158333947.db2.gz SONCQCKNMCMIQG-UONOGXRCSA-N 1 2 324.425 0.113 10 0 DCAELO CN(C)c1[nH+]cccc1CNC(=O)N1CCS(=O)(=O)CC1 ZINC000171586944 158384788 /nfs/dbraw/zinc/38/47/88/158384788.db2.gz JVQYOWBVESJZEZ-UHFFFAOYSA-N 1 2 312.395 0.088 10 0 DCAELO O=C(CCOC[C@H]1CCCO1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172753566 158398816 /nfs/dbraw/zinc/39/88/16/158398816.db2.gz BXTJLGQVCJBOPD-LSDHHAIUSA-N 1 2 312.410 0.505 10 0 DCAELO O=C(CNC(=O)c1cccs1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172748602 158399040 /nfs/dbraw/zinc/39/90/40/158399040.db2.gz FLJNVCOYSPQSRX-GFCCVEGCSA-N 1 2 323.418 0.411 10 0 DCAELO CC(C)CC(=O)NCCC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172745773 158399050 /nfs/dbraw/zinc/39/90/50/158399050.db2.gz UYPXZEDTHSFZGE-AWEZNQCLSA-N 1 2 311.426 0.472 10 0 DCAELO CCc1nc(C2([NH2+]CCNS(=O)(=O)CC)CCCC2)no1 ZINC000173694565 158408492 /nfs/dbraw/zinc/40/84/92/158408492.db2.gz IATMDMPQCGGBCU-UHFFFAOYSA-N 1 2 316.427 0.930 10 0 DCAELO C[C@@H]1CN(c2ccc(CNC(=O)CC(=O)N(C)C)c[nH+]2)CCO1 ZINC000173971658 158413415 /nfs/dbraw/zinc/41/34/15/158413415.db2.gz KTGXZNZRFRALRT-GFCCVEGCSA-N 1 2 320.393 0.401 10 0 DCAELO COC[C@H]1CN(C(=O)NCc2ccc[nH+]c2N(C)C)CCO1 ZINC000175077776 158424563 /nfs/dbraw/zinc/42/45/63/158424563.db2.gz ZKGYJEYCPKYOQB-CYBMUJFWSA-N 1 2 308.382 0.704 10 0 DCAELO CC(=O)N1CCC[C@H]1C(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000328727270 159025044 /nfs/dbraw/zinc/02/50/44/159025044.db2.gz VASKARZXVPRSAI-CABCVRRESA-N 1 2 302.378 0.565 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)CN3CCCCCCC3=O)C[C@@H]21 ZINC000328872304 159035829 /nfs/dbraw/zinc/03/58/29/159035829.db2.gz DVFXKUAOIOCZRV-GJZGRUSLSA-N 1 2 323.437 0.711 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)CN3CCCCCCC3=O)C[C@@H]21 ZINC000328872304 159035830 /nfs/dbraw/zinc/03/58/30/159035830.db2.gz DVFXKUAOIOCZRV-GJZGRUSLSA-N 1 2 323.437 0.711 10 0 DCAELO CC(C)CCn1cc(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)nn1 ZINC000328930678 159042406 /nfs/dbraw/zinc/04/24/06/159042406.db2.gz ZEBMYPFPDADWEZ-HUUCEWRRSA-N 1 2 321.425 0.869 10 0 DCAELO CC(C)CCn1cc(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)nn1 ZINC000328930678 159042408 /nfs/dbraw/zinc/04/24/08/159042408.db2.gz ZEBMYPFPDADWEZ-HUUCEWRRSA-N 1 2 321.425 0.869 10 0 DCAELO O=S(=O)(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccsc1 ZINC000329034620 159053623 /nfs/dbraw/zinc/05/36/23/159053623.db2.gz YHIIQOQSZRXKFX-LLVKDONJSA-N 1 2 302.421 0.890 10 0 DCAELO O=S(=O)(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1ccsc1 ZINC000329034620 159053624 /nfs/dbraw/zinc/05/36/24/159053624.db2.gz YHIIQOQSZRXKFX-LLVKDONJSA-N 1 2 302.421 0.890 10 0 DCAELO CCN1CCOC[C@H]1C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000329064562 159057418 /nfs/dbraw/zinc/05/74/18/159057418.db2.gz OOAVQILNJLFGJJ-GJZGRUSLSA-N 1 2 305.378 0.782 10 0 DCAELO Cc1nn(C)c(C)c1[C@H]1COCC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC000329150771 159067640 /nfs/dbraw/zinc/06/76/40/159067640.db2.gz RWEKUFXJOATJGM-LSDHHAIUSA-N 1 2 319.409 0.668 10 0 DCAELO Cc1nn(C)c(C)c1[C@H]1COCC[N@H+]1C[C@H](O)Cn1cccn1 ZINC000329150771 159067641 /nfs/dbraw/zinc/06/76/41/159067641.db2.gz RWEKUFXJOATJGM-LSDHHAIUSA-N 1 2 319.409 0.668 10 0 DCAELO Cc1nnc([C@H]2CCCN(C(=O)[C@@H](C)[NH+]3CCOCC3)C2)[nH]1 ZINC000329436292 159092077 /nfs/dbraw/zinc/09/20/77/159092077.db2.gz JUUAPNCZEGNRHP-YPMHNXCESA-N 1 2 307.398 0.540 10 0 DCAELO C[C@H](C(=O)N1CCC(Cn2cccn2)CC1)[NH+]1CCOCC1 ZINC000329683627 159111755 /nfs/dbraw/zinc/11/17/55/159111755.db2.gz TVVMIZJBMODJET-CQSZACIVSA-N 1 2 306.410 0.842 10 0 DCAELO O=C(CN1CSCC1=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000329891919 159126696 /nfs/dbraw/zinc/12/66/96/159126696.db2.gz IOCRPGBCTUNRFA-LBPRGKRZSA-N 1 2 307.375 0.594 10 0 DCAELO CCc1nnc(C2CCN(C(=O)[C@@H](C)[NH+]3CCOCC3)CC2)[nH]1 ZINC000330061983 159139002 /nfs/dbraw/zinc/13/90/02/159139002.db2.gz AKWCKEZYMLTBOA-GFCCVEGCSA-N 1 2 321.425 0.794 10 0 DCAELO C[C@]1(C(=O)N2CC[NH+](CCn3cncn3)CC2)CCCNC1=O ZINC000330265089 159155633 /nfs/dbraw/zinc/15/56/33/159155633.db2.gz YTKMRBBQQREDPF-HNNXBMFYSA-N 1 2 320.397 0.179 10 0 DCAELO O=C(c1c[nH]nc1[C@H]1CCOC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000330330518 159160775 /nfs/dbraw/zinc/16/07/75/159160775.db2.gz NJYMHVWSLNXKRO-STQMWFEESA-N 1 2 320.393 0.460 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3c[nH]nc3[C@H]3CCOC3)C[C@H]21 ZINC000330328009 159160912 /nfs/dbraw/zinc/16/09/12/159160912.db2.gz LINJUQMJMKPGGJ-CYZMBNFOSA-N 1 2 306.366 0.069 10 0 DCAELO C[N@H+]1CCO[C@@H]2CN(C(=O)c3c[nH]nc3[C@H]3CCOC3)C[C@H]21 ZINC000330328009 159160914 /nfs/dbraw/zinc/16/09/14/159160914.db2.gz LINJUQMJMKPGGJ-CYZMBNFOSA-N 1 2 306.366 0.069 10 0 DCAELO C[C@H](NC(=O)c1ccoc1)C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000408019815 160013104 /nfs/dbraw/zinc/01/31/04/160013104.db2.gz BBKRXGUPNKGERA-FPMFFAJLSA-N 1 2 321.377 0.329 10 0 DCAELO C[C@H](NC(=O)c1ccoc1)C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000408019815 160013107 /nfs/dbraw/zinc/01/31/07/160013107.db2.gz BBKRXGUPNKGERA-FPMFFAJLSA-N 1 2 321.377 0.329 10 0 DCAELO Cc1occc1C(=O)NCC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000408022177 160014242 /nfs/dbraw/zinc/01/42/42/160014242.db2.gz KPJALNHZOVRLAF-UONOGXRCSA-N 1 2 321.377 0.249 10 0 DCAELO Cc1occc1C(=O)NCC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000408022177 160014244 /nfs/dbraw/zinc/01/42/44/160014244.db2.gz KPJALNHZOVRLAF-UONOGXRCSA-N 1 2 321.377 0.249 10 0 DCAELO CC1CCN(C(=O)C(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)CC1 ZINC000408031459 160016930 /nfs/dbraw/zinc/01/69/30/160016930.db2.gz UOVZLIDBLZICHS-ZIAGYGMSSA-N 1 2 309.410 0.176 10 0 DCAELO CC1CCN(C(=O)C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)CC1 ZINC000408031459 160016933 /nfs/dbraw/zinc/01/69/33/160016933.db2.gz UOVZLIDBLZICHS-ZIAGYGMSSA-N 1 2 309.410 0.176 10 0 DCAELO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CCO[C@H](CO)C1 ZINC000408041101 160020969 /nfs/dbraw/zinc/02/09/69/160020969.db2.gz FJPBKLIXUCGUPC-HZSPNIEDSA-N 1 2 305.378 0.374 10 0 DCAELO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1C[C@@H](O)C[C@@H]1CO ZINC000408052742 160024629 /nfs/dbraw/zinc/02/46/29/160024629.db2.gz CZSKZTBPWCGKKN-YIYPIFLZSA-N 1 2 305.378 0.108 10 0 DCAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@H](C)S(C)(=O)=O)C2 ZINC000408146173 160047860 /nfs/dbraw/zinc/04/78/60/160047860.db2.gz YDELPOGLCHGZOL-JTQLQIEISA-N 1 2 313.423 0.861 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)[C@@H]2CCO[C@@H](C)C2)[C@H](C)C1 ZINC000408192722 160056897 /nfs/dbraw/zinc/05/68/97/160056897.db2.gz OKPJRRZKHFUNKT-ZOBORPQBSA-N 1 2 320.455 0.271 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)[C@@H]2CCO[C@@H](C)C2)[C@H](C)C1 ZINC000408192722 160056898 /nfs/dbraw/zinc/05/68/98/160056898.db2.gz OKPJRRZKHFUNKT-ZOBORPQBSA-N 1 2 320.455 0.271 10 0 DCAELO CNC(=O)N[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)C1 ZINC000408258140 160070872 /nfs/dbraw/zinc/07/08/72/160070872.db2.gz VEJSPTJTZBLZGN-AAVRWANBSA-N 1 2 310.442 0.931 10 0 DCAELO CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)C1 ZINC000408258140 160070873 /nfs/dbraw/zinc/07/08/73/160070873.db2.gz VEJSPTJTZBLZGN-AAVRWANBSA-N 1 2 310.442 0.931 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)CC(F)(F)F)C[C@H]1C ZINC000408318476 160084223 /nfs/dbraw/zinc/08/42/23/160084223.db2.gz ZMHIEUUTYPWWHZ-BDAKNGLRSA-N 1 2 304.334 0.265 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)CC(F)(F)F)C[C@H]1C ZINC000408318476 160084224 /nfs/dbraw/zinc/08/42/24/160084224.db2.gz ZMHIEUUTYPWWHZ-BDAKNGLRSA-N 1 2 304.334 0.265 10 0 DCAELO CCN(C)S(=O)(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000408365435 160092954 /nfs/dbraw/zinc/09/29/54/160092954.db2.gz GYQCEFDGVDWRLQ-CYBMUJFWSA-N 1 2 305.444 0.226 10 0 DCAELO CCN(C)S(=O)(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000408365435 160092957 /nfs/dbraw/zinc/09/29/57/160092957.db2.gz GYQCEFDGVDWRLQ-CYBMUJFWSA-N 1 2 305.444 0.226 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)N(C)C2CCCCC2)CC[N@@H+]1CCO ZINC000408366628 160093409 /nfs/dbraw/zinc/09/34/09/160093409.db2.gz MNEZEHBGHAHIRC-CYBMUJFWSA-N 1 2 319.471 0.494 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)N(C)C2CCCCC2)CC[N@H+]1CCO ZINC000408366628 160093410 /nfs/dbraw/zinc/09/34/10/160093410.db2.gz MNEZEHBGHAHIRC-CYBMUJFWSA-N 1 2 319.471 0.494 10 0 DCAELO CSCCCC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000134505141 287016750 /nfs/dbraw/zinc/01/67/50/287016750.db2.gz ULAAGEGXKCGZSZ-UHFFFAOYSA-N 1 2 313.467 0.896 10 0 DCAELO CCOCC[NH+]1CCN(S(=O)(=O)[C@@H]2CCO[C@@H]2C)CC1 ZINC000135609974 287023644 /nfs/dbraw/zinc/02/36/44/287023644.db2.gz OPZVHAQEALSGPB-CHWSQXEVSA-N 1 2 306.428 0.148 10 0 DCAELO CCC[C@H]1C(=O)NCC[N@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000152510990 287042121 /nfs/dbraw/zinc/04/21/21/287042121.db2.gz QBWDNAIJDIDTLQ-STQMWFEESA-N 1 2 317.455 0.259 10 0 DCAELO CCC[C@H]1C(=O)NCC[N@@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000152510990 287042123 /nfs/dbraw/zinc/04/21/23/287042123.db2.gz QBWDNAIJDIDTLQ-STQMWFEESA-N 1 2 317.455 0.259 10 0 DCAELO Cc1noc(C)c1S(=O)(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000246094590 287076507 /nfs/dbraw/zinc/07/65/07/287076507.db2.gz KRUGCAFLNGHIEP-UWVGGRQHSA-N 1 2 317.411 0.367 10 0 DCAELO Cc1noc(C)c1S(=O)(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000246094590 287076510 /nfs/dbraw/zinc/07/65/10/287076510.db2.gz KRUGCAFLNGHIEP-UWVGGRQHSA-N 1 2 317.411 0.367 10 0 DCAELO COCCCNC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000247388491 287093223 /nfs/dbraw/zinc/09/32/23/287093223.db2.gz WUHYLIVYGHDCFV-HUUCEWRRSA-N 1 2 324.425 0.434 10 0 DCAELO COCCCNC(=O)[C@@H](C)[N@H+]1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000247388491 287093224 /nfs/dbraw/zinc/09/32/24/287093224.db2.gz WUHYLIVYGHDCFV-HUUCEWRRSA-N 1 2 324.425 0.434 10 0 DCAELO C[C@@H](C(=O)NC1CCCC1)[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247047506 287090449 /nfs/dbraw/zinc/09/04/49/287090449.db2.gz JHUJBAWSBUCSEY-CMPLNLGQSA-N 1 2 303.428 0.057 10 0 DCAELO C[C@@H](C(=O)NC1CCCC1)[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247047506 287090451 /nfs/dbraw/zinc/09/04/51/287090451.db2.gz JHUJBAWSBUCSEY-CMPLNLGQSA-N 1 2 303.428 0.057 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)N2CCC[C@H](C)C2)[C@H](C)C1 ZINC000249183148 287107394 /nfs/dbraw/zinc/10/73/94/287107394.db2.gz NNRCGDLTNYCNDW-MJBXVCDLSA-N 1 2 319.471 0.350 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)N2CCC[C@H](C)C2)[C@H](C)C1 ZINC000249183148 287107395 /nfs/dbraw/zinc/10/73/95/287107395.db2.gz NNRCGDLTNYCNDW-MJBXVCDLSA-N 1 2 319.471 0.350 10 0 DCAELO C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CCS1(=O)=O ZINC000127247673 296888183 /nfs/dbraw/zinc/88/81/83/296888183.db2.gz ZAWFCCQGGVZOHV-YPMHNXCESA-N 1 2 300.424 0.506 10 0 DCAELO CCOCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000081085014 415483050 /nfs/dbraw/zinc/48/30/50/415483050.db2.gz ZWCUKISTVIGAKL-ZYHUDNBSSA-N 1 2 312.332 0.917 10 0 DCAELO CCOCCCNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000081085014 415483055 /nfs/dbraw/zinc/48/30/55/415483055.db2.gz ZWCUKISTVIGAKL-ZYHUDNBSSA-N 1 2 312.332 0.917 10 0 DCAELO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2[C@H]3CCCO[C@H]32)CC1 ZINC000332846568 415490861 /nfs/dbraw/zinc/49/08/61/415490861.db2.gz OOSQVJNYLZDMCP-BPLDGKMQSA-N 1 2 309.410 0.082 10 0 DCAELO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2[C@H]3CCCO[C@H]32)CC1 ZINC000332846568 415490870 /nfs/dbraw/zinc/49/08/70/415490870.db2.gz OOSQVJNYLZDMCP-BPLDGKMQSA-N 1 2 309.410 0.082 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)CNC(=O)c3ccsc3)C[C@H]21 ZINC000332754408 415467299 /nfs/dbraw/zinc/46/72/99/415467299.db2.gz FMKVMOINSCYWQJ-OLZOCXBDSA-N 1 2 323.418 0.409 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)CNC(=O)c3ccsc3)C[C@H]21 ZINC000332754408 415467306 /nfs/dbraw/zinc/46/73/06/415467306.db2.gz FMKVMOINSCYWQJ-OLZOCXBDSA-N 1 2 323.418 0.409 10 0 DCAELO Cc1[nH]nc2ncc(C(=O)N3CC[C@H]4OCC[N@@H+](C)[C@@H]4C3)cc12 ZINC000284761315 415602840 /nfs/dbraw/zinc/60/28/40/415602840.db2.gz SCBGWLRAOOQJFH-ZIAGYGMSSA-N 1 2 315.377 0.811 10 0 DCAELO Cc1[nH]nc2ncc(C(=O)N3CC[C@H]4OCC[N@H+](C)[C@@H]4C3)cc12 ZINC000284761315 415602846 /nfs/dbraw/zinc/60/28/46/415602846.db2.gz SCBGWLRAOOQJFH-ZIAGYGMSSA-N 1 2 315.377 0.811 10 0 DCAELO C[C@H](CNC(=O)N1CCC(n2cc[nH+]c2)CC1)N1CCOCC1 ZINC000103305037 415616835 /nfs/dbraw/zinc/61/68/35/415616835.db2.gz RPDVGTFYFZUPLT-CQSZACIVSA-N 1 2 321.425 0.950 10 0 DCAELO C[C@@H]1OCCN(Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]1C(N)=O ZINC000344864971 415998592 /nfs/dbraw/zinc/99/85/92/415998592.db2.gz MLZXQTSGDOTDNC-WFASDCNBSA-N 1 2 300.362 0.947 10 0 DCAELO CC(C)Cn1cc[nH+]c1CNC(=O)Cc1nc2ncccn2n1 ZINC000173028329 416051256 /nfs/dbraw/zinc/05/12/56/416051256.db2.gz GOVMPATWHIRNSE-UHFFFAOYSA-N 1 2 313.365 0.836 10 0 DCAELO Cc1c(F)cccc1NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000173176539 416054544 /nfs/dbraw/zinc/05/45/44/416054544.db2.gz QEYRCSPURUXTMJ-NSHDSACASA-N 1 2 309.341 0.519 10 0 DCAELO Cc1c(F)cccc1NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000173176539 416054547 /nfs/dbraw/zinc/05/45/47/416054547.db2.gz QEYRCSPURUXTMJ-NSHDSACASA-N 1 2 309.341 0.519 10 0 DCAELO COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000173330155 416057742 /nfs/dbraw/zinc/05/77/42/416057742.db2.gz DZVCWGMSQCJQDI-KFWWJZLASA-N 1 2 324.421 0.899 10 0 DCAELO Cc1cc(NC(=O)CC[N@@H+]2CCO[C@@H](c3nnc(C)[nH]3)C2)no1 ZINC000173660304 416061842 /nfs/dbraw/zinc/06/18/42/416061842.db2.gz IUYFIEVNPJZMCN-LLVKDONJSA-N 1 2 320.353 0.812 10 0 DCAELO Cc1cc(NC(=O)CC[N@H+]2CCO[C@@H](c3nnc(C)[nH]3)C2)no1 ZINC000173660304 416061846 /nfs/dbraw/zinc/06/18/46/416061846.db2.gz IUYFIEVNPJZMCN-LLVKDONJSA-N 1 2 320.353 0.812 10 0 DCAELO Cc1nnc([C@@H]2C[N@H+](CCC(=O)NC3CCCC3)CCO2)[nH]1 ZINC000173673035 416063278 /nfs/dbraw/zinc/06/32/78/416063278.db2.gz GEQSBARQEGPSPU-ZDUSSCGKSA-N 1 2 307.398 0.935 10 0 DCAELO Cc1nnc([C@@H]2C[N@@H+](CCC(=O)NC3CCCC3)CCO2)[nH]1 ZINC000173673035 416063285 /nfs/dbraw/zinc/06/32/85/416063285.db2.gz GEQSBARQEGPSPU-ZDUSSCGKSA-N 1 2 307.398 0.935 10 0 DCAELO Cc1cnn(CCNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000173892578 416067229 /nfs/dbraw/zinc/06/72/29/416067229.db2.gz RDKPZSYOPMLKNK-CQSZACIVSA-N 1 2 307.398 0.308 10 0 DCAELO CC(C)c1nnnn1CC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000174338950 416075826 /nfs/dbraw/zinc/07/58/26/416075826.db2.gz SPWVFADONZCGOA-CYBMUJFWSA-N 1 2 322.413 0.120 10 0 DCAELO C[C@@H](C(=O)NC1(c2nn[nH]n2)CC1)[N@H+](C)Cc1ccccc1 ZINC000357043238 416025258 /nfs/dbraw/zinc/02/52/58/416025258.db2.gz HHLRABLTVMSSDO-NSHDSACASA-N 1 2 300.366 0.826 10 0 DCAELO C[C@@H](C(=O)NC1(c2nn[nH]n2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000357043238 416025260 /nfs/dbraw/zinc/02/52/60/416025260.db2.gz HHLRABLTVMSSDO-NSHDSACASA-N 1 2 300.366 0.826 10 0 DCAELO COC(=O)Cn1ncc2c1nc[nH+]c2N1CCC[C@@H]([C@H](C)O)C1 ZINC000301798082 416091421 /nfs/dbraw/zinc/09/14/21/416091421.db2.gz VBLUDTPJCBLMLY-WDEREUQCSA-N 1 2 319.365 0.597 10 0 DCAELO CCCNC(=O)c1ccc(NC[C@H]2C[NH+]3CCN2CC3)nc1 ZINC000301786249 416091781 /nfs/dbraw/zinc/09/17/81/416091781.db2.gz PNDUYKLZAAKXFD-AWEZNQCLSA-N 1 2 303.410 0.633 10 0 DCAELO CCCNC(=O)c1ccc(NC[C@H]2CN3CC[NH+]2CC3)nc1 ZINC000301786249 416091788 /nfs/dbraw/zinc/09/17/88/416091788.db2.gz PNDUYKLZAAKXFD-AWEZNQCLSA-N 1 2 303.410 0.633 10 0 DCAELO Cc1cnn(CCNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000175039366 416094854 /nfs/dbraw/zinc/09/48/54/416094854.db2.gz WXYNWSWTUAZQRV-HNNXBMFYSA-N 1 2 321.425 0.698 10 0 DCAELO Cc1cc(N2CC[C@@H]([N@@H+](C)CC(=O)NC(C)C)C2=O)n(C)n1 ZINC000175499130 416108045 /nfs/dbraw/zinc/10/80/45/416108045.db2.gz RSGACLWBOJKICU-GFCCVEGCSA-N 1 2 307.398 0.290 10 0 DCAELO Cc1cc(N2CC[C@@H]([N@H+](C)CC(=O)NC(C)C)C2=O)n(C)n1 ZINC000175499130 416108050 /nfs/dbraw/zinc/10/80/50/416108050.db2.gz RSGACLWBOJKICU-GFCCVEGCSA-N 1 2 307.398 0.290 10 0 DCAELO CC1(C)C[N@H+](CCNC(=O)N[C@H]2CCCn3ncnc32)CCO1 ZINC000176476663 416128076 /nfs/dbraw/zinc/12/80/76/416128076.db2.gz QNQQBTBBYZTNLQ-LBPRGKRZSA-N 1 2 322.413 0.523 10 0 DCAELO CC1(C)C[N@@H+](CCNC(=O)N[C@H]2CCCn3ncnc32)CCO1 ZINC000176476663 416128080 /nfs/dbraw/zinc/12/80/80/416128080.db2.gz QNQQBTBBYZTNLQ-LBPRGKRZSA-N 1 2 322.413 0.523 10 0 DCAELO CC(=O)N1CCN(C(=O)NCc2ccc[nH+]c2N(C)C)[C@H](C)C1 ZINC000357757007 416128422 /nfs/dbraw/zinc/12/84/22/416128422.db2.gz ATLGFZQQUCWHGB-GFCCVEGCSA-N 1 2 319.409 0.910 10 0 DCAELO CC(=O)N1CCC[C@H](C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)C1 ZINC000328903374 416138984 /nfs/dbraw/zinc/13/89/84/416138984.db2.gz HUQUFXKFMJYFNE-SOUVJXGZSA-N 1 2 309.410 0.176 10 0 DCAELO CC(=O)N1CCC[C@H](C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)C1 ZINC000328903374 416138988 /nfs/dbraw/zinc/13/89/88/416138988.db2.gz HUQUFXKFMJYFNE-SOUVJXGZSA-N 1 2 309.410 0.176 10 0 DCAELO CCc1nnc(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)s1 ZINC000328950408 416141759 /nfs/dbraw/zinc/14/17/59/416141759.db2.gz LGXXGOOUDHNFJW-NXEZZACHSA-N 1 2 311.411 1.037 10 0 DCAELO CCc1nnc(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)s1 ZINC000328950408 416141762 /nfs/dbraw/zinc/14/17/62/416141762.db2.gz LGXXGOOUDHNFJW-NXEZZACHSA-N 1 2 311.411 1.037 10 0 DCAELO C[C@H]1CN(CC(=O)N(C)CC(F)(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC000177234659 416141942 /nfs/dbraw/zinc/14/19/42/416141942.db2.gz DDJBNFJSXIXZJS-RYUDHWBXSA-N 1 2 323.359 0.660 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)C[C@H]21 ZINC000329167784 416155082 /nfs/dbraw/zinc/15/50/82/416155082.db2.gz ILPCHMWZONKTLV-GHMZBOCLSA-N 1 2 324.381 0.089 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)C[C@H]21 ZINC000329167784 416155085 /nfs/dbraw/zinc/15/50/85/416155085.db2.gz ILPCHMWZONKTLV-GHMZBOCLSA-N 1 2 324.381 0.089 10 0 DCAELO Cc1nc(C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c(C)s1 ZINC000178797654 416172130 /nfs/dbraw/zinc/17/21/30/416172130.db2.gz IAKBMFQOCNEQDO-CQSZACIVSA-N 1 2 313.423 0.573 10 0 DCAELO C[NH+]1CCC(CNC(=O)[C@H]2COCC[NH2+]2)([NH+]2CCCCC2)CC1 ZINC000178891056 416176745 /nfs/dbraw/zinc/17/67/45/416176745.db2.gz WITWOSXRXGVINV-OAHLLOKOSA-N 1 2 324.469 0.041 10 0 DCAELO COC(=O)c1[nH]c(C)c(C(=O)NC[C@H]2C[NH+]3CCN2CC3)c1C ZINC000178970843 416179653 /nfs/dbraw/zinc/17/96/53/416179653.db2.gz QKDMUDZSHKCLFF-LBPRGKRZSA-N 1 2 320.393 0.148 10 0 DCAELO CCC[C@@H](NC(N)=O)C(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000183549042 416245869 /nfs/dbraw/zinc/24/58/69/416245869.db2.gz LZDZNEWDICMBIK-CYBMUJFWSA-N 1 2 319.409 0.957 10 0 DCAELO O=C(Nc1nc2ccccn2n1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000184341185 416252987 /nfs/dbraw/zinc/25/29/87/416252987.db2.gz KXEIIEUZCPAABG-GFCCVEGCSA-N 1 2 316.365 0.668 10 0 DCAELO COC(=O)[C@@]1(C)CCC[N@@H+]1CC(=O)N(C)Cc1cnn(C)c1 ZINC000186365134 416255813 /nfs/dbraw/zinc/25/58/13/416255813.db2.gz ANWIKCBMJLJJOO-OAHLLOKOSA-N 1 2 308.382 0.406 10 0 DCAELO COC(=O)[C@@]1(C)CCC[N@H+]1CC(=O)N(C)Cc1cnn(C)c1 ZINC000186365134 416255814 /nfs/dbraw/zinc/25/58/14/416255814.db2.gz ANWIKCBMJLJJOO-OAHLLOKOSA-N 1 2 308.382 0.406 10 0 DCAELO Cc1ccc(C)c(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1 ZINC000190042503 416274129 /nfs/dbraw/zinc/27/41/29/416274129.db2.gz CMKOLFGNLXNZGV-CQSZACIVSA-N 1 2 319.405 0.767 10 0 DCAELO Cc1ccc(C)c(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1 ZINC000190042503 416274133 /nfs/dbraw/zinc/27/41/33/416274133.db2.gz CMKOLFGNLXNZGV-CQSZACIVSA-N 1 2 319.405 0.767 10 0 DCAELO Cc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c(C)c1 ZINC000190033486 416274606 /nfs/dbraw/zinc/27/46/06/416274606.db2.gz CSFSWMGBKSCUNT-CQSZACIVSA-N 1 2 319.405 0.767 10 0 DCAELO Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c(C)c1 ZINC000190033486 416274609 /nfs/dbraw/zinc/27/46/09/416274609.db2.gz CSFSWMGBKSCUNT-CQSZACIVSA-N 1 2 319.405 0.767 10 0 DCAELO O=C(N[C@H]1CCCN(c2ccccc2)C1=O)[C@H]1COCC[NH2+]1 ZINC000237901455 416329111 /nfs/dbraw/zinc/32/91/11/416329111.db2.gz ARJIFGZHEOLPBD-UONOGXRCSA-N 1 2 303.362 0.287 10 0 DCAELO CCCNC(=O)C[C@@H](C(N)=O)[N@H+](CCC)Cc1ccnc(C)n1 ZINC000361316377 416429422 /nfs/dbraw/zinc/42/94/22/416429422.db2.gz PPHZSSASARJGHW-AWEZNQCLSA-N 1 2 321.425 0.767 10 0 DCAELO CCCNC(=O)C[C@@H](C(N)=O)[N@@H+](CCC)Cc1ccnc(C)n1 ZINC000361316377 416429425 /nfs/dbraw/zinc/42/94/25/416429425.db2.gz PPHZSSASARJGHW-AWEZNQCLSA-N 1 2 321.425 0.767 10 0 DCAELO CCCN(C(=O)[C@@H](C)[N@H+](C)CCCO)[C@@H]1CCS(=O)(=O)C1 ZINC000440946982 416653375 /nfs/dbraw/zinc/65/33/75/416653375.db2.gz WWLGJWYMZRKGRX-CHWSQXEVSA-N 1 2 320.455 0.115 10 0 DCAELO CCCN(C(=O)[C@@H](C)[N@@H+](C)CCCO)[C@@H]1CCS(=O)(=O)C1 ZINC000440946982 416653379 /nfs/dbraw/zinc/65/33/79/416653379.db2.gz WWLGJWYMZRKGRX-CHWSQXEVSA-N 1 2 320.455 0.115 10 0 DCAELO CCCCN(C(=O)C[N@H+](C)CCCO)[C@@H]1CCS(=O)(=O)C1 ZINC000440956244 416656305 /nfs/dbraw/zinc/65/63/05/416656305.db2.gz UIWBNWLRSYQXGW-CYBMUJFWSA-N 1 2 320.455 0.116 10 0 DCAELO CCCCN(C(=O)C[N@@H+](C)CCCO)[C@@H]1CCS(=O)(=O)C1 ZINC000440956244 416656308 /nfs/dbraw/zinc/65/63/08/416656308.db2.gz UIWBNWLRSYQXGW-CYBMUJFWSA-N 1 2 320.455 0.116 10 0 DCAELO Cc1ccccc1C(=O)NCC(=O)NCc1c[nH+]c(C)nc1N ZINC000552183908 416698682 /nfs/dbraw/zinc/69/86/82/416698682.db2.gz INMSKPKDYGEDFH-UHFFFAOYSA-N 1 2 313.361 0.722 10 0 DCAELO COC(=O)[C@@](C)(O)C[N@@H+]1CCN(C)[C@H](c2nc(C3CC3)no2)C1 ZINC000517054093 416776133 /nfs/dbraw/zinc/77/61/33/416776133.db2.gz SFUSVWOPPNEWRQ-NHYWBVRUSA-N 1 2 324.381 0.160 10 0 DCAELO COC(=O)[C@@](C)(O)C[N@H+]1CCN(C)[C@H](c2nc(C3CC3)no2)C1 ZINC000517054093 416776140 /nfs/dbraw/zinc/77/61/40/416776140.db2.gz SFUSVWOPPNEWRQ-NHYWBVRUSA-N 1 2 324.381 0.160 10 0 DCAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000370121636 416887773 /nfs/dbraw/zinc/88/77/73/416887773.db2.gz LMGCUOXMRQLHLF-CZUORRHYSA-N 1 2 309.410 0.226 10 0 DCAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000370121636 416887779 /nfs/dbraw/zinc/88/77/79/416887779.db2.gz LMGCUOXMRQLHLF-CZUORRHYSA-N 1 2 309.410 0.226 10 0 DCAELO CC(=O)N[C@@H]1COCC[N@H+](CCNC(=O)OC(C)(C)C)C1 ZINC000616662596 417089209 /nfs/dbraw/zinc/08/92/09/417089209.db2.gz CELWQVLLMFRWTO-LBPRGKRZSA-N 1 2 301.387 0.348 10 0 DCAELO CC(=O)N[C@@H]1COCC[N@@H+](CCNC(=O)OC(C)(C)C)C1 ZINC000616662596 417089216 /nfs/dbraw/zinc/08/92/16/417089216.db2.gz CELWQVLLMFRWTO-LBPRGKRZSA-N 1 2 301.387 0.348 10 0 DCAELO Nc1[nH+]cccc1[C@H]1CN(S(N)(=O)=O)c2ccccc2N1 ZINC000616691621 417094392 /nfs/dbraw/zinc/09/43/92/417094392.db2.gz ONGOLOLZTFGXTI-LLVKDONJSA-N 1 2 305.363 0.841 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3cccc(C(N)=O)n3)C[C@@H]21 ZINC000408044156 417135056 /nfs/dbraw/zinc/13/50/56/417135056.db2.gz TVCXVJGUPLZHAI-NWDGAFQWSA-N 1 2 319.365 0.117 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3cccc(C(N)=O)n3)C[C@@H]21 ZINC000408044156 417135064 /nfs/dbraw/zinc/13/50/64/417135064.db2.gz TVCXVJGUPLZHAI-NWDGAFQWSA-N 1 2 319.365 0.117 10 0 DCAELO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCCn3cc[nH+]c32)CCCO1 ZINC000569762423 417292682 /nfs/dbraw/zinc/29/26/82/417292682.db2.gz ODNXKEUFJMEHEL-OLZOCXBDSA-N 1 2 320.393 0.514 10 0 DCAELO C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCCn3cc[nH+]c32)CCCO1 ZINC000569762425 417293130 /nfs/dbraw/zinc/29/31/30/417293130.db2.gz ODNXKEUFJMEHEL-STQMWFEESA-N 1 2 320.393 0.514 10 0 DCAELO CC(C)NC(=O)CN(C)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000570385391 417345179 /nfs/dbraw/zinc/34/51/79/417345179.db2.gz PLDISQBNPWRGAV-UHFFFAOYSA-N 1 2 317.349 0.256 10 0 DCAELO C[C@H](O)CC[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000439013865 287380328 /nfs/dbraw/zinc/38/03/28/287380328.db2.gz YKDFWYGNKIUHLP-LBPRGKRZSA-N 1 2 316.398 0.903 10 0 DCAELO COC1(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)CCC1 ZINC000628575025 417656308 /nfs/dbraw/zinc/65/63/08/417656308.db2.gz AAOOXORWMLTRLN-OAHLLOKOSA-N 1 2 312.410 0.288 10 0 DCAELO COC1(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)CCC1 ZINC000628575025 417656314 /nfs/dbraw/zinc/65/63/14/417656314.db2.gz AAOOXORWMLTRLN-OAHLLOKOSA-N 1 2 312.410 0.288 10 0 DCAELO C[C@H](Cn1cncn1)NC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000299685466 229331867 /nfs/dbraw/zinc/33/18/67/229331867.db2.gz YVOJLLLNBITKGC-CYBMUJFWSA-N 1 2 318.381 0.787 10 0 DCAELO C[C@@H](CNC(=O)[C@H](C)NC(=O)CC(C)(C)C)[NH+]1CCOCC1 ZINC000188194510 261126002 /nfs/dbraw/zinc/12/60/02/261126002.db2.gz JWWRIKQQFPBWRG-STQMWFEESA-N 1 2 313.442 0.764 10 0 DCAELO CCOC(=O)[C@@H](C)[N@H+](C[C@H](O)CN1CCOCC1)C1CC1 ZINC000190813663 261135260 /nfs/dbraw/zinc/13/52/60/261135260.db2.gz CJWKXPCLSZHDRA-TZMCWYRMSA-N 1 2 300.399 0.096 10 0 DCAELO CCOC(=O)[C@@H](C)[N@@H+](C[C@H](O)CN1CCOCC1)C1CC1 ZINC000190813663 261135261 /nfs/dbraw/zinc/13/52/61/261135261.db2.gz CJWKXPCLSZHDRA-TZMCWYRMSA-N 1 2 300.399 0.096 10 0 DCAELO CCOC(=O)[C@@H](C)N(C[C@H](O)C[NH+]1CCOCC1)C1CC1 ZINC000190813663 261135263 /nfs/dbraw/zinc/13/52/63/261135263.db2.gz CJWKXPCLSZHDRA-TZMCWYRMSA-N 1 2 300.399 0.096 10 0 DCAELO COC(=O)[C@H]1CC[N@H+](Cc2nnnn2Cc2ccccc2)C1 ZINC000390782949 262160258 /nfs/dbraw/zinc/16/02/58/262160258.db2.gz LKXJEKQQEQMDFA-ZDUSSCGKSA-N 1 2 301.350 0.716 10 0 DCAELO COC(=O)[C@H]1CC[N@@H+](Cc2nnnn2Cc2ccccc2)C1 ZINC000390782949 262160259 /nfs/dbraw/zinc/16/02/59/262160259.db2.gz LKXJEKQQEQMDFA-ZDUSSCGKSA-N 1 2 301.350 0.716 10 0 DCAELO CC(C)(C)NC(=O)C[NH+]1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000248169306 277166223 /nfs/dbraw/zinc/16/62/23/277166223.db2.gz QXIYNDAHMXHOQI-UHFFFAOYSA-N 1 2 318.421 0.822 10 0 DCAELO C[C@@H]1CN(C(=O)[C@H]2CCCn3ccnc32)C[C@H]1[NH+]1CCOCC1 ZINC000245415363 287998620 /nfs/dbraw/zinc/99/86/20/287998620.db2.gz GBANHJNCHBZVNP-QLFBSQMISA-N 1 2 318.421 0.940 10 0 DCAELO CN1CN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1=O ZINC000546610635 288021699 /nfs/dbraw/zinc/02/16/99/288021699.db2.gz LSUAJZJCMXQVMY-UHFFFAOYSA-N 1 2 313.361 0.873 10 0 DCAELO Cc1csc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)n1 ZINC000372736070 279043364 /nfs/dbraw/zinc/04/33/64/279043364.db2.gz GLQBJJKEUOPJRI-NHCYSSNCSA-N 1 2 308.407 0.976 10 0 DCAELO Cc1csc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)n1 ZINC000372736070 279043366 /nfs/dbraw/zinc/04/33/66/279043366.db2.gz GLQBJJKEUOPJRI-NHCYSSNCSA-N 1 2 308.407 0.976 10 0 DCAELO CC[C@H](O)C[NH+]1CCN(CCCS(=O)(=O)C(C)C)CC1 ZINC000121203776 288110958 /nfs/dbraw/zinc/11/09/58/288110958.db2.gz BSTQZDSUJPARAO-AWEZNQCLSA-N 1 2 306.472 0.588 10 0 DCAELO COc1cnc(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)nc1 ZINC000551196910 288224992 /nfs/dbraw/zinc/22/49/92/288224992.db2.gz CTQFMFHABZLGRM-DGCLKSJQSA-N 1 2 306.366 0.278 10 0 DCAELO CC(C)C(=O)NCCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000552703423 288279134 /nfs/dbraw/zinc/27/91/34/288279134.db2.gz YUXKRGMOUNMLMS-UHFFFAOYSA-N 1 2 317.349 0.161 10 0 DCAELO CC1(C)C[N@H+](CC(=O)NCC(F)(F)F)C[C@@]2(CCOC2)O1 ZINC000366562295 281232204 /nfs/dbraw/zinc/23/22/04/281232204.db2.gz ABRAOWULBPCGSA-GFCCVEGCSA-N 1 2 310.316 0.935 10 0 DCAELO CC1(C)C[N@@H+](CC(=O)NCC(F)(F)F)C[C@@]2(CCOC2)O1 ZINC000366562295 281232206 /nfs/dbraw/zinc/23/22/06/281232206.db2.gz ABRAOWULBPCGSA-GFCCVEGCSA-N 1 2 310.316 0.935 10 0 DCAELO CCc1nsc(N2CC[NH+]([C@H]3CCCCNC3=O)CC2)n1 ZINC000128737399 281576881 /nfs/dbraw/zinc/57/68/81/281576881.db2.gz HUBKMALFIXUGBD-NSHDSACASA-N 1 2 309.439 0.891 10 0 DCAELO C[N@@H+]1CCO[C@@H](C(=O)N2CCCC[C@H]2CN2CCOCC2)C1 ZINC000245495827 290073985 /nfs/dbraw/zinc/07/39/85/290073985.db2.gz QFOSOWPAOBGUEV-LSDHHAIUSA-N 1 2 311.426 0.030 10 0 DCAELO C[N@H+]1CCO[C@@H](C(=O)N2CCCC[C@H]2CN2CCOCC2)C1 ZINC000245495827 290073988 /nfs/dbraw/zinc/07/39/88/290073988.db2.gz QFOSOWPAOBGUEV-LSDHHAIUSA-N 1 2 311.426 0.030 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccc4c3OCO4)C[C@H]21 ZINC000328864501 290113153 /nfs/dbraw/zinc/11/31/53/290113153.db2.gz GCVBOBYMEZVIPW-OLZOCXBDSA-N 1 2 304.346 0.960 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)c3cccc4c3OCO4)C[C@H]21 ZINC000328864501 290113155 /nfs/dbraw/zinc/11/31/55/290113155.db2.gz GCVBOBYMEZVIPW-OLZOCXBDSA-N 1 2 304.346 0.960 10 0 DCAELO Nc1[nH+]cnc(N2CCN([C@H]3CCCCNC3=O)CC2)c1Cl ZINC000365495796 295374447 /nfs/dbraw/zinc/37/44/47/295374447.db2.gz DXBLCMLXCCLNEI-JTQLQIEISA-N 1 2 324.816 0.503 10 0 DCAELO Cc1ccn(C)c1C(=O)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000376292279 302252866 /nfs/dbraw/zinc/25/28/66/302252866.db2.gz ZHJJNZFZQUNNSK-CQSZACIVSA-N 1 2 318.421 0.760 10 0 DCAELO C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CCCc2nn(C)cc21 ZINC000583643007 336011109 /nfs/dbraw/zinc/01/11/09/336011109.db2.gz DUERDIZWBYOAHY-TZMCWYRMSA-N 1 2 321.425 0.817 10 0 DCAELO C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CCCc2nn(C)cc21 ZINC000583643007 336011110 /nfs/dbraw/zinc/01/11/10/336011110.db2.gz DUERDIZWBYOAHY-TZMCWYRMSA-N 1 2 321.425 0.817 10 0 DCAELO COC(=O)c1ccc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)[nH]1 ZINC000294625744 533993258 /nfs/dbraw/zinc/99/32/58/533993258.db2.gz JKMGUKJCCXWQTO-STQMWFEESA-N 1 2 307.350 0.346 10 0 DCAELO COC(=O)c1ccc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)[nH]1 ZINC000294625744 533993264 /nfs/dbraw/zinc/99/32/64/533993264.db2.gz JKMGUKJCCXWQTO-STQMWFEESA-N 1 2 307.350 0.346 10 0 DCAELO CCOc1ccc(OC[C@@H](O)C[NH+]2CC(NC(C)=O)C2)cc1 ZINC000191728457 521178900 /nfs/dbraw/zinc/17/89/00/521178900.db2.gz KLNIDYKSJLLSMN-AWEZNQCLSA-N 1 2 308.378 0.645 10 0 DCAELO O=C([C@@H]1C[C@@H](F)C[N@H+]1CCc1ccccn1)N1CCOCC1 ZINC000299745623 534599777 /nfs/dbraw/zinc/59/97/77/534599777.db2.gz RLTYGPPBMFJSDJ-HIFRSBDPSA-N 1 2 307.369 0.895 10 0 DCAELO O=C([C@@H]1C[C@@H](F)C[N@@H+]1CCc1ccccn1)N1CCOCC1 ZINC000299745623 534599783 /nfs/dbraw/zinc/59/97/83/534599783.db2.gz RLTYGPPBMFJSDJ-HIFRSBDPSA-N 1 2 307.369 0.895 10 0 DCAELO CCc1onc(C)c1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000128093997 523044904 /nfs/dbraw/zinc/04/49/04/523044904.db2.gz MSVSVBMNFUADTK-UHFFFAOYSA-N 1 2 306.366 0.791 10 0 DCAELO CCn1cc([C@@H]2C[N@H+](C[C@H](O)Cn3cccn3)CCO2)cn1 ZINC000190764387 523467762 /nfs/dbraw/zinc/46/77/62/523467762.db2.gz ACTKTVDBOLTYIL-GJZGRUSLSA-N 1 2 305.382 0.534 10 0 DCAELO CCn1cc([C@@H]2C[N@@H+](C[C@H](O)Cn3cccn3)CCO2)cn1 ZINC000190764387 523467772 /nfs/dbraw/zinc/46/77/72/523467772.db2.gz ACTKTVDBOLTYIL-GJZGRUSLSA-N 1 2 305.382 0.534 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)NCCc2ccc(Cl)nc2)C1 ZINC000158967356 523938181 /nfs/dbraw/zinc/93/81/81/523938181.db2.gz KBDXPBCRGBSZCT-LBPRGKRZSA-N 1 2 312.801 0.907 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)NCCc2ccc(Cl)nc2)C1 ZINC000158967356 523938187 /nfs/dbraw/zinc/93/81/87/523938187.db2.gz KBDXPBCRGBSZCT-LBPRGKRZSA-N 1 2 312.801 0.907 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@](C)(O)c2ccsc2)C1 ZINC000126688408 523939083 /nfs/dbraw/zinc/93/90/83/523939083.db2.gz MIMROCVTOBZRQN-JSGCOSHPSA-N 1 2 313.423 0.585 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)NC[C@](C)(O)c2ccsc2)C1 ZINC000126688408 523939088 /nfs/dbraw/zinc/93/90/88/523939088.db2.gz MIMROCVTOBZRQN-JSGCOSHPSA-N 1 2 313.423 0.585 10 0 DCAELO COC(=O)[C@H]1C[C@H](NC(=O)c2ccc(OC)cc2OC)C[NH2+]1 ZINC000365097025 523988817 /nfs/dbraw/zinc/98/88/17/523988817.db2.gz CLPJJHCLEQBULC-JOYOIKCWSA-N 1 2 308.334 0.337 10 0 DCAELO CN1C[C@H](NC(=O)N2CCC(n3cc[nH+]c3)CC2)CCC1=O ZINC000162907916 524022427 /nfs/dbraw/zinc/02/24/27/524022427.db2.gz MKOYKXUWUWNDRS-GFCCVEGCSA-N 1 2 305.382 0.850 10 0 DCAELO C[C@H]1CN(c2ccc(CNC(=O)N3CC(CO)C3)c[nH+]2)CCO1 ZINC000190918897 524669623 /nfs/dbraw/zinc/66/96/23/524669623.db2.gz RYWISIRHZZSNIA-LBPRGKRZSA-N 1 2 320.393 0.440 10 0 DCAELO C[S@](=O)CCC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000155835476 525381138 /nfs/dbraw/zinc/38/11/38/525381138.db2.gz NVQDYMCAEAVPKG-RNODOKPDSA-N 1 2 302.440 0.326 10 0 DCAELO C[C@@H]1C(=O)NCCC[N@H+]1CCN1C(=O)c2ccccc2C1=O ZINC000189300275 526202918 /nfs/dbraw/zinc/20/29/18/526202918.db2.gz AQLAKZPSFQVPCV-LLVKDONJSA-N 1 2 301.346 0.493 10 0 DCAELO C[C@@H]1C(=O)NCCC[N@@H+]1CCN1C(=O)c2ccccc2C1=O ZINC000189300275 526202929 /nfs/dbraw/zinc/20/29/29/526202929.db2.gz AQLAKZPSFQVPCV-LLVKDONJSA-N 1 2 301.346 0.493 10 0 DCAELO Cc1nnc([C@@H]2C[N@H+](CCCNC(=O)C(F)(F)F)CCO2)[nH]1 ZINC000154856187 526535739 /nfs/dbraw/zinc/53/57/39/526535739.db2.gz RLVVWFRGPUXTTA-VIFPVBQESA-N 1 2 321.303 0.555 10 0 DCAELO Cc1nnc([C@@H]2C[N@@H+](CCCNC(=O)C(F)(F)F)CCO2)[nH]1 ZINC000154856187 526535745 /nfs/dbraw/zinc/53/57/45/526535745.db2.gz RLVVWFRGPUXTTA-VIFPVBQESA-N 1 2 321.303 0.555 10 0 DCAELO CCc1cc(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)n(C)n1 ZINC000284593639 536150482 /nfs/dbraw/zinc/15/04/82/536150482.db2.gz MMFIWSBRRHLGPH-STQMWFEESA-N 1 2 307.398 0.919 10 0 DCAELO CCc1cc(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)n(C)n1 ZINC000284593639 536150485 /nfs/dbraw/zinc/15/04/85/536150485.db2.gz MMFIWSBRRHLGPH-STQMWFEESA-N 1 2 307.398 0.919 10 0 DCAELO CN(C[C@H]1C[N@H+](C)CCO1)S(=O)(=O)c1ccc(F)cc1 ZINC000074774916 545671644 /nfs/dbraw/zinc/67/16/44/545671644.db2.gz HKAPEPRPDXUHDB-GFCCVEGCSA-N 1 2 302.371 0.777 10 0 DCAELO CN(C[C@H]1C[N@@H+](C)CCO1)S(=O)(=O)c1ccc(F)cc1 ZINC000074774916 545671648 /nfs/dbraw/zinc/67/16/48/545671648.db2.gz HKAPEPRPDXUHDB-GFCCVEGCSA-N 1 2 302.371 0.777 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)CC[C@H]2CCCO2)C[C@H]1C ZINC000246087605 545963201 /nfs/dbraw/zinc/96/32/01/545963201.db2.gz IZMQIHYXFWPKKV-HZSPNIEDSA-N 1 2 320.455 0.272 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)CC[C@H]2CCCO2)C[C@H]1C ZINC000246087605 545963207 /nfs/dbraw/zinc/96/32/07/545963207.db2.gz IZMQIHYXFWPKKV-HZSPNIEDSA-N 1 2 320.455 0.272 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cn3ccnc3s2)C[C@H]1C ZINC000248963104 545970257 /nfs/dbraw/zinc/97/02/57/545970257.db2.gz RJEYQXMMPCVBIC-MNOVXSKESA-N 1 2 308.407 0.923 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(C(=O)c2cn3ccnc3s2)C[C@H]1C ZINC000248963104 545970258 /nfs/dbraw/zinc/97/02/58/545970258.db2.gz RJEYQXMMPCVBIC-MNOVXSKESA-N 1 2 308.407 0.923 10 0 DCAELO C[C@@H]1OCC[C@@H]1NC(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000333137269 546072363 /nfs/dbraw/zinc/07/23/63/546072363.db2.gz JPKXHWBQHFXNEM-CFVMTHIKSA-N 1 2 311.426 0.916 10 0 DCAELO C[C@@H]1OCC[C@@H]1NC(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000333137269 546072357 /nfs/dbraw/zinc/07/23/57/546072357.db2.gz JPKXHWBQHFXNEM-CFVMTHIKSA-N 1 2 311.426 0.916 10 0 DCAELO COc1ccc2c3c1OC1CC(O)C=CC31C(O)C[N@@H+](C)C2 ZINC000004654662 560198931 /nfs/dbraw/zinc/19/89/31/560198931.db2.gz YLFKDWVECRVHGB-ABYLEIOUSA-N 1 2 303.358 0.821 10 0 in-vitro DCAELO COc1ccc2c3c1OC1CC(O)C=CC31C(O)C[N@H+](C)C2 ZINC000004654662 560198932 /nfs/dbraw/zinc/19/89/32/560198932.db2.gz YLFKDWVECRVHGB-ABYLEIOUSA-N 1 2 303.358 0.821 10 0 in-vitro DCAELO C[C@@H]1CN(C(=O)[C@H]2CC(F)(F)CN2)C[C@H]1[NH+]1CCOCC1 ZINC000262690554 662531615 /nfs/dbraw/zinc/53/16/15/662531615.db2.gz AEMSXAGMAVGIJD-IJLUTSLNSA-N 1 2 303.353 0.163 10 0 DCAELO CC(C)[C@@]1(C)CC(=O)N(C[N@@H+]2CC[C@H](N3CCOCC3)C2)C1=O ZINC000172959085 664625979 /nfs/dbraw/zinc/62/59/79/664625979.db2.gz ALSJXUNKLLCNPD-WMLDXEAASA-N 1 2 323.437 0.772 10 0 DCAELO CC(C)[C@@]1(C)CC(=O)N(C[N@H+]2CC[C@H](N3CCOCC3)C2)C1=O ZINC000172959085 664625981 /nfs/dbraw/zinc/62/59/81/664625981.db2.gz ALSJXUNKLLCNPD-WMLDXEAASA-N 1 2 323.437 0.772 10 0 DCAELO CC(C)[C@@]1(C)CC(=O)N(CN2CC[C@H]([NH+]3CCOCC3)C2)C1=O ZINC000172959085 664625982 /nfs/dbraw/zinc/62/59/82/664625982.db2.gz ALSJXUNKLLCNPD-WMLDXEAASA-N 1 2 323.437 0.772 10 0 DCAELO COC(=O)c1ncn(C[NH+]2CCC(c3ccnn3C)CC2)n1 ZINC000152211046 664740712 /nfs/dbraw/zinc/74/07/12/664740712.db2.gz DNXCMLPLLDPJLT-UHFFFAOYSA-N 1 2 304.354 0.635 10 0 DCAELO CC[S@](=O)CCNC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000735090359 666949820 /nfs/dbraw/zinc/94/98/20/666949820.db2.gz PSVSFVPURYTUAI-ZSEKCTLFSA-N 1 2 319.471 0.411 10 0 DCAELO C[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3n[nH]c(=O)[n-]3)C2)ccn1 ZINC000886096378 667731506 /nfs/dbraw/zinc/73/15/06/667731506.db2.gz CXWHEBGGTMKXGD-ZDUSSCGKSA-N 1 2 318.381 0.620 10 0 DCAELO C[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3n[nH]c(=O)[n-]3)C2)ccn1 ZINC000886096378 667731508 /nfs/dbraw/zinc/73/15/08/667731508.db2.gz CXWHEBGGTMKXGD-ZDUSSCGKSA-N 1 2 318.381 0.620 10 0 DCAELO CC[C@@H]1CN(C(=O)c2cn(CC)nn2)C[C@H]1[NH+]1CCOCC1 ZINC000933756117 669532576 /nfs/dbraw/zinc/53/25/76/669532576.db2.gz NPYXLMOPACLXFR-TZMCWYRMSA-N 1 2 307.398 0.481 10 0 DCAELO CO[C@H]1CC(=O)N(C[NH+]2CCC(Nc3cccnn3)CC2)C1 ZINC000189151162 670093504 /nfs/dbraw/zinc/09/35/04/670093504.db2.gz SCLMJVQWNKIYDY-ZDUSSCGKSA-N 1 2 305.382 0.558 10 0 DCAELO COC(=O)C1(O)CN(c2nc(C)[nH+]c(C)c2Br)C1 ZINC000714415394 670186052 /nfs/dbraw/zinc/18/60/52/670186052.db2.gz XXYLRRBBMKLBBW-UHFFFAOYSA-N 1 2 316.155 0.580 10 0 DCAELO COC[C@]1(C)NC(=O)N(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)C1=O ZINC000116258055 671029975 /nfs/dbraw/zinc/02/99/75/671029975.db2.gz NFMUVMNKHZMPKX-NHYWBVRUSA-N 1 2 321.381 0.124 10 0 DCAELO COC[C@]1(C)NC(=O)N(C[N@H+]2CC[C@H](c3cnn(C)c3)C2)C1=O ZINC000116258055 671029978 /nfs/dbraw/zinc/02/99/78/671029978.db2.gz NFMUVMNKHZMPKX-NHYWBVRUSA-N 1 2 321.381 0.124 10 0 DCAELO COCC[N@@H+]1CCN(CN2c3ccccc3C(=O)C2=O)C[C@H]1C ZINC000117323195 671192826 /nfs/dbraw/zinc/19/28/26/671192826.db2.gz MKJLECJGVHSKLL-CYBMUJFWSA-N 1 2 317.389 0.826 10 0 DCAELO COCC[N@H+]1CCN(CN2c3ccccc3C(=O)C2=O)C[C@H]1C ZINC000117323195 671192828 /nfs/dbraw/zinc/19/28/28/671192828.db2.gz MKJLECJGVHSKLL-CYBMUJFWSA-N 1 2 317.389 0.826 10 0 DCAELO Cn1cc(C[C@H]2CC(=O)N(C[N@H+](C)C[C@H]3CCCO3)C2=O)cn1 ZINC000245440164 685156988 /nfs/dbraw/zinc/15/69/88/685156988.db2.gz UHFDRFMVOQXQNJ-UONOGXRCSA-N 1 2 320.393 0.406 10 0 DCAELO Cn1cc(C[C@H]2CC(=O)N(C[N@@H+](C)C[C@H]3CCCO3)C2=O)cn1 ZINC000245440164 685156992 /nfs/dbraw/zinc/15/69/92/685156992.db2.gz UHFDRFMVOQXQNJ-UONOGXRCSA-N 1 2 320.393 0.406 10 0 DCAELO CS(=O)(=O)N[C@H]1CC[N@H+](C[C@@H](O)c2ccc(F)c(F)c2)C1 ZINC000247159830 685170598 /nfs/dbraw/zinc/17/05/98/685170598.db2.gz QNBSDCMRYVAVCC-GXFFZTMASA-N 1 2 320.361 0.622 10 0 DCAELO CS(=O)(=O)N[C@H]1CC[N@@H+](C[C@@H](O)c2ccc(F)c(F)c2)C1 ZINC000247159830 685170601 /nfs/dbraw/zinc/17/06/01/685170601.db2.gz QNBSDCMRYVAVCC-GXFFZTMASA-N 1 2 320.361 0.622 10 0 DCAELO NC(=O)[C@]1(O)CCC[N@H+](Cc2cncc(Br)c2)C1 ZINC000311007363 231116694 /nfs/dbraw/zinc/11/66/94/231116694.db2.gz LANYGAQUUNPKMV-LBPRGKRZSA-N 1 2 314.183 0.656 10 0 DCAELO NC(=O)[C@]1(O)CCC[N@@H+](Cc2cncc(Br)c2)C1 ZINC000311007363 231116698 /nfs/dbraw/zinc/11/66/98/231116698.db2.gz LANYGAQUUNPKMV-LBPRGKRZSA-N 1 2 314.183 0.656 10 0 DCAELO CN1C[C@H](Nc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)CCC1=O ZINC000246714327 529829814 /nfs/dbraw/zinc/82/98/14/529829814.db2.gz UAHWZKKMVRMZDT-CHWSQXEVSA-N 1 2 319.409 0.718 10 0 DCAELO CN1C[C@H](Nc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CCC1=O ZINC000246714327 529829815 /nfs/dbraw/zinc/82/98/15/529829815.db2.gz UAHWZKKMVRMZDT-CHWSQXEVSA-N 1 2 319.409 0.718 10 0 DCAELO C[NH2+][C@@H](CCn1cc(I)cn1)C(=O)OC ZINC000070678729 545663100 /nfs/dbraw/zinc/66/31/00/545663100.db2.gz POBWKBRJFRHLPB-QMMMGPOBSA-N 1 2 323.134 0.639 10 0 DCAELO Cn1cc[nH+]c1[C@H]1CN(CC(=O)NC[C@H]2CCCO2)CCN1C ZINC000279885527 215207288 /nfs/dbraw/zinc/20/72/88/215207288.db2.gz CRQVJMMEGCTOPR-ZIAGYGMSSA-N 1 2 321.425 0.004 10 0 DCAELO COc1c(C)cc(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)cc1C ZINC000179730969 186211906 /nfs/dbraw/zinc/21/19/06/186211906.db2.gz FABVIKYWULSQIV-OAHLLOKOSA-N 1 2 322.405 0.735 10 0 DCAELO C[C@H](CS(C)(=O)=O)NC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000172054336 198032215 /nfs/dbraw/zinc/03/22/15/198032215.db2.gz ACLICSMGQYIJGH-OCCSQVGLSA-N 1 2 312.435 0.709 10 0 DCAELO COCc1cc(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)no1 ZINC000173407411 198212627 /nfs/dbraw/zinc/21/26/27/198212627.db2.gz LUHLWBZSSLSAKL-BXUZGUMPSA-N 1 2 309.366 0.614 10 0 DCAELO O=C(NCCCn1cc[nH+]c1)N1CCC[C@H](n2cncn2)C1 ZINC000174017098 198281510 /nfs/dbraw/zinc/28/15/10/198281510.db2.gz AFXWVEOXRHGXNL-ZDUSSCGKSA-N 1 2 303.370 0.911 10 0 DCAELO CN1C[C@H](NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CCC1=O ZINC000265730655 283236534 /nfs/dbraw/zinc/23/65/34/283236534.db2.gz BKTPBGWERXAERM-NWDGAFQWSA-N 1 2 305.382 0.920 10 0 DCAELO C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)[C@@H](C)c1cnn(C)c1 ZINC000180337699 199146845 /nfs/dbraw/zinc/14/68/45/199146845.db2.gz VJOJVWFCMYMNOW-STQMWFEESA-N 1 2 309.414 0.843 10 0 DCAELO Cc1ncc(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)c(C)n1 ZINC000180485300 199165584 /nfs/dbraw/zinc/16/55/84/199165584.db2.gz KIJUQVONAQUQSP-XHDPSFHLSA-N 1 2 304.394 0.886 10 0 DCAELO Cc1cc(C)nc(SCC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)n1 ZINC000187286382 200089346 /nfs/dbraw/zinc/08/93/46/200089346.db2.gz AHNYXJRPFUSPML-ZDUSSCGKSA-N 1 2 324.450 0.711 10 0 DCAELO Cc1cc(C)nc(SCC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)n1 ZINC000187286382 200089348 /nfs/dbraw/zinc/08/93/48/200089348.db2.gz AHNYXJRPFUSPML-ZDUSSCGKSA-N 1 2 324.450 0.711 10 0 DCAELO Cn1ccc(NC(=O)N(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)n1 ZINC000275680234 238309659 /nfs/dbraw/zinc/30/96/59/238309659.db2.gz MARMKKSNXICIJD-ZDUSSCGKSA-N 1 2 307.398 0.995 10 0 DCAELO Cn1ccc(NC(=O)N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000275680234 238309661 /nfs/dbraw/zinc/30/96/61/238309661.db2.gz MARMKKSNXICIJD-ZDUSSCGKSA-N 1 2 307.398 0.995 10 0 DCAELO CN(C)c1ccc(NC(=O)NC[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000091983980 193136362 /nfs/dbraw/zinc/13/63/62/193136362.db2.gz OONFAYHFVAXYIO-HNNXBMFYSA-N 1 2 322.409 0.567 10 0 DCAELO O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000330178645 296084927 /nfs/dbraw/zinc/08/49/27/296084927.db2.gz DVXDZFWVAAWYFH-CAOSSQGBSA-N 1 2 317.389 0.606 10 0 DCAELO O=C(N[C@H]1CCc2n[nH]cc2C1)C1([NH+]2CCOCC2)CCC1 ZINC000408176361 284235993 /nfs/dbraw/zinc/23/59/93/284235993.db2.gz DYNUFALLPUHCAK-ZDUSSCGKSA-N 1 2 304.394 0.638 10 0 DCAELO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)CC2CCOCC2)C[C@H]1C ZINC000173573951 296186121 /nfs/dbraw/zinc/18/61/21/296186121.db2.gz AQUXLGOIYLKZLK-CHWSQXEVSA-N 1 2 320.455 0.130 10 0 DCAELO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)CC2CCOCC2)C[C@H]1C ZINC000173573951 296186124 /nfs/dbraw/zinc/18/61/24/296186124.db2.gz AQUXLGOIYLKZLK-CHWSQXEVSA-N 1 2 320.455 0.130 10 0 DCAELO Cc1ccccc1S(=O)(=O)N1CC[NH+](CC(N)=S)CC1 ZINC000041566286 183203410 /nfs/dbraw/zinc/20/34/10/183203410.db2.gz ZSJDPVBWAIBYSK-UHFFFAOYSA-N 1 2 313.448 0.587 10 0 DCAELO COCCN(Cc1cccnc1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000105283402 194092102 /nfs/dbraw/zinc/09/21/02/194092102.db2.gz VUUWMDPQLLITEV-OAHLLOKOSA-N 1 2 322.409 0.570 10 0 DCAELO COCCN(Cc1cccnc1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000105283402 194092103 /nfs/dbraw/zinc/09/21/03/194092103.db2.gz VUUWMDPQLLITEV-OAHLLOKOSA-N 1 2 322.409 0.570 10 0 DCAELO CC(C)c1[nH+]c2c(n1C)CCN(Cc1nc(N)nc(N)n1)C2 ZINC000106372655 194202019 /nfs/dbraw/zinc/20/20/19/194202019.db2.gz QWCNBVDGROTHJQ-UHFFFAOYSA-N 1 2 302.386 0.451 10 0 DCAELO O=C1NC[C@H]2C[N@@H+]([C@H]3CCc4ccccc4NC3=O)CCN12 ZINC000248836214 296384896 /nfs/dbraw/zinc/38/48/96/296384896.db2.gz JWYZFNWSFPDPQS-JSGCOSHPSA-N 1 2 300.362 0.649 10 0 DCAELO O=C1NC[C@H]2C[N@H+]([C@H]3CCc4ccccc4NC3=O)CCN12 ZINC000248836214 296384897 /nfs/dbraw/zinc/38/48/97/296384897.db2.gz JWYZFNWSFPDPQS-JSGCOSHPSA-N 1 2 300.362 0.649 10 0 DCAELO O=C(CSC[C@H](O)CO)N1CC[NH+](Cc2ccco2)CC1 ZINC000177444320 220454337 /nfs/dbraw/zinc/45/43/37/220454337.db2.gz MNCJRBSZLWPKBI-GFCCVEGCSA-N 1 2 314.407 0.010 10 0 DCAELO Cn1cc[nH+]c1CN1C[C@H](F)C[C@@H]1CNC(=O)[C@H]1CCCO1 ZINC000351632903 254354982 /nfs/dbraw/zinc/35/49/82/254354982.db2.gz KXQMISNJGASUMJ-JHJVBQTASA-N 1 2 310.373 0.628 10 0 DCAELO C[C@H]1CN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC(=O)N1C ZINC000283577592 131005474 /nfs/dbraw/zinc/00/54/74/131005474.db2.gz QWMUSUUARZCOEA-QWHCGFSZSA-N 1 2 319.409 0.495 10 0 DCAELO C[C@H]1CN(c2cc(N3CCCC[C@@H]3CO)nc[nH+]2)CC(=O)N1C ZINC000283577592 131005475 /nfs/dbraw/zinc/00/54/75/131005475.db2.gz QWMUSUUARZCOEA-QWHCGFSZSA-N 1 2 319.409 0.495 10 0 DCAELO Cc1cc(C)c(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)c(=O)[nH]1 ZINC000284530794 131088878 /nfs/dbraw/zinc/08/88/78/131088878.db2.gz PBDZHBSBQMJYCU-QWHCGFSZSA-N 1 2 305.378 0.949 10 0 DCAELO Cc1cc(C)c(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)c(=O)[nH]1 ZINC000284530794 131088880 /nfs/dbraw/zinc/08/88/80/131088880.db2.gz PBDZHBSBQMJYCU-QWHCGFSZSA-N 1 2 305.378 0.949 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccc(C(N)=O)c3)C[C@@H]21 ZINC000284545802 131091768 /nfs/dbraw/zinc/09/17/68/131091768.db2.gz DHWYSBWACKZOHB-KBPBESRZSA-N 1 2 303.362 0.331 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)c3cccc(C(N)=O)c3)C[C@@H]21 ZINC000284545802 131091769 /nfs/dbraw/zinc/09/17/69/131091769.db2.gz DHWYSBWACKZOHB-KBPBESRZSA-N 1 2 303.362 0.331 10 0 DCAELO O=C(C[N@H+]1CC[C@](O)(c2cn[nH]n2)C1)N1CCc2ccccc21 ZINC000284812308 131113198 /nfs/dbraw/zinc/11/31/98/131113198.db2.gz NMFNYJTVBWAVBE-MRXNPFEDSA-N 1 2 313.361 0.287 10 0 DCAELO O=C(C[N@@H+]1CC[C@](O)(c2cn[nH]n2)C1)N1CCc2ccccc21 ZINC000284812308 131113199 /nfs/dbraw/zinc/11/31/99/131113199.db2.gz NMFNYJTVBWAVBE-MRXNPFEDSA-N 1 2 313.361 0.287 10 0 DCAELO O=C(C[N@H+]1CC[C@](O)(c2c[nH]nn2)C1)N1CCc2ccccc21 ZINC000284812308 131113201 /nfs/dbraw/zinc/11/32/01/131113201.db2.gz NMFNYJTVBWAVBE-MRXNPFEDSA-N 1 2 313.361 0.287 10 0 DCAELO O=C(C[N@@H+]1CC[C@](O)(c2c[nH]nn2)C1)N1CCc2ccccc21 ZINC000284812308 131113203 /nfs/dbraw/zinc/11/32/03/131113203.db2.gz NMFNYJTVBWAVBE-MRXNPFEDSA-N 1 2 313.361 0.287 10 0 DCAELO COCCN1C[C@H]2C[N@H+](Cc3cccc(OC)n3)CCN2C1=O ZINC000096297115 395752480 /nfs/dbraw/zinc/75/24/80/395752480.db2.gz ZYZNXWXTPPROHA-CQSZACIVSA-N 1 2 320.393 0.658 10 0 DCAELO COCCN1C[C@H]2C[N@@H+](Cc3cccc(OC)n3)CCN2C1=O ZINC000096297115 395752482 /nfs/dbraw/zinc/75/24/82/395752482.db2.gz ZYZNXWXTPPROHA-CQSZACIVSA-N 1 2 320.393 0.658 10 0 DCAELO CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCOC[C@@]23CCOC3)C1 ZINC000193718719 395777506 /nfs/dbraw/zinc/77/75/06/395777506.db2.gz BTYVOKLFKROPFT-KGLIPLIRSA-N 1 2 318.439 0.149 10 0 DCAELO CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCOC[C@@]23CCOC3)C1 ZINC000193718719 395777507 /nfs/dbraw/zinc/77/75/07/395777507.db2.gz BTYVOKLFKROPFT-KGLIPLIRSA-N 1 2 318.439 0.149 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)c2cccc(N3CCCC3=O)c2)C1 ZINC000194629058 395802765 /nfs/dbraw/zinc/80/27/65/395802765.db2.gz QUHHTRICFOVLMA-OAHLLOKOSA-N 1 2 317.389 0.874 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)c2cccc(N3CCCC3=O)c2)C1 ZINC000194629058 395802767 /nfs/dbraw/zinc/80/27/67/395802767.db2.gz QUHHTRICFOVLMA-OAHLLOKOSA-N 1 2 317.389 0.874 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)CNC(=O)c2ccc(F)cc2)C1 ZINC000194750025 395806482 /nfs/dbraw/zinc/80/64/82/395806482.db2.gz NCIDSUBLBARGIH-ZDUSSCGKSA-N 1 2 309.341 0.002 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)CNC(=O)c2ccc(F)cc2)C1 ZINC000194750025 395806488 /nfs/dbraw/zinc/80/64/88/395806488.db2.gz NCIDSUBLBARGIH-ZDUSSCGKSA-N 1 2 309.341 0.002 10 0 DCAELO Cc1ccc(C(=O)NCC(=O)NC[C@H]2C[N@H+](C)CCO2)cc1C ZINC000194749984 395806762 /nfs/dbraw/zinc/80/67/62/395806762.db2.gz XLXIODNYYVXYES-HNNXBMFYSA-N 1 2 319.405 0.480 10 0 DCAELO Cc1ccc(C(=O)NCC(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1C ZINC000194749984 395806765 /nfs/dbraw/zinc/80/67/65/395806765.db2.gz XLXIODNYYVXYES-HNNXBMFYSA-N 1 2 319.405 0.480 10 0 DCAELO Cc1ccccc1[C@H](O)CNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000112391110 395817279 /nfs/dbraw/zinc/81/72/79/395817279.db2.gz SFVWMXXQJXJMOD-DZGCQCFKSA-N 1 2 307.394 0.658 10 0 DCAELO Cc1ccccc1[C@H](O)CNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000112391110 395817282 /nfs/dbraw/zinc/81/72/82/395817282.db2.gz SFVWMXXQJXJMOD-DZGCQCFKSA-N 1 2 307.394 0.658 10 0 DCAELO CC1(CNC(=O)N2CC[NH+](Cc3ccncc3)CC2)COC1 ZINC000112753198 395824048 /nfs/dbraw/zinc/82/40/48/395824048.db2.gz QUNTWKLAAXGBPW-UHFFFAOYSA-N 1 2 304.394 0.945 10 0 DCAELO COCCNC(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000115778797 395841575 /nfs/dbraw/zinc/84/15/75/395841575.db2.gz YOUKDDLDZWBRRF-UHFFFAOYSA-N 1 2 309.414 0.511 10 0 DCAELO Cc1nn(CC(=O)NC[C@@H]2C[N@H+](C)CCO2)c(C)c1Cl ZINC000194603499 395800453 /nfs/dbraw/zinc/80/04/53/395800453.db2.gz HXTSZSPDGYIFKH-LLVKDONJSA-N 1 2 300.790 0.600 10 0 DCAELO Cc1nn(CC(=O)NC[C@@H]2C[N@@H+](C)CCO2)c(C)c1Cl ZINC000194603499 395800455 /nfs/dbraw/zinc/80/04/55/395800455.db2.gz HXTSZSPDGYIFKH-LLVKDONJSA-N 1 2 300.790 0.600 10 0 DCAELO CC[S@@](=O)c1ccccc1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000194615590 395801655 /nfs/dbraw/zinc/80/16/55/395801655.db2.gz CJIMGCZDBSLQDU-LAJNKCICSA-N 1 2 310.419 0.875 10 0 DCAELO CC[S@@](=O)c1ccccc1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000194615590 395801659 /nfs/dbraw/zinc/80/16/59/395801659.db2.gz CJIMGCZDBSLQDU-LAJNKCICSA-N 1 2 310.419 0.875 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)CCNC(=O)Cc2ccccc2)C1 ZINC000194613758 395801817 /nfs/dbraw/zinc/80/18/17/395801817.db2.gz MLOBEWWDEPDFLO-OAHLLOKOSA-N 1 2 319.405 0.182 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)CCNC(=O)Cc2ccccc2)C1 ZINC000194613758 395801821 /nfs/dbraw/zinc/80/18/21/395801821.db2.gz MLOBEWWDEPDFLO-OAHLLOKOSA-N 1 2 319.405 0.182 10 0 DCAELO COC(=O)CNC(=O)CC[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000125479792 395903087 /nfs/dbraw/zinc/90/30/87/395903087.db2.gz OKZYUGYMCWXBCX-GFCCVEGCSA-N 1 2 312.391 0.801 10 0 DCAELO COC(=O)CNC(=O)CC[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000125479792 395903090 /nfs/dbraw/zinc/90/30/90/395903090.db2.gz OKZYUGYMCWXBCX-GFCCVEGCSA-N 1 2 312.391 0.801 10 0 DCAELO O=C1NC[C@H]2C[N@H+]([C@@H]3CCCc4ccc(F)cc43)CCN2C1=O ZINC000245517296 395930472 /nfs/dbraw/zinc/93/04/72/395930472.db2.gz RHTLTKNDGURHQQ-DZGCQCFKSA-N 1 2 317.364 0.846 10 0 DCAELO O=C1NC[C@H]2C[N@@H+]([C@@H]3CCCc4ccc(F)cc43)CCN2C1=O ZINC000245517296 395930474 /nfs/dbraw/zinc/93/04/74/395930474.db2.gz RHTLTKNDGURHQQ-DZGCQCFKSA-N 1 2 317.364 0.846 10 0 DCAELO CCS(=O)(=O)CC[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000118397944 395862022 /nfs/dbraw/zinc/86/20/22/395862022.db2.gz NNJWKGUGFYCLIQ-ZDUSSCGKSA-N 1 2 312.439 0.812 10 0 DCAELO CCS(=O)(=O)CC[N@@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000118397944 395862026 /nfs/dbraw/zinc/86/20/26/395862026.db2.gz NNJWKGUGFYCLIQ-ZDUSSCGKSA-N 1 2 312.439 0.812 10 0 DCAELO C[N@H+](CC(=O)NC1CC1)CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000120496923 395881959 /nfs/dbraw/zinc/88/19/59/395881959.db2.gz PFXHRYONPQKVSG-JTQLQIEISA-N 1 2 321.343 0.998 10 0 DCAELO C[N@@H+](CC(=O)NC1CC1)CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000120496923 395881964 /nfs/dbraw/zinc/88/19/64/395881964.db2.gz PFXHRYONPQKVSG-JTQLQIEISA-N 1 2 321.343 0.998 10 0 DCAELO O[C@H](CNc1nnc(-c2ccccn2)s1)C[NH+]1CCOCC1 ZINC000273549829 395928767 /nfs/dbraw/zinc/92/87/67/395928767.db2.gz AESABQMFPXWTHO-LLVKDONJSA-N 1 2 321.406 0.705 10 0 DCAELO C[C@@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@H]1[NH+]1CCOCC1 ZINC000273625969 395934664 /nfs/dbraw/zinc/93/46/64/395934664.db2.gz RRKPTPJHWVBIRX-ZYHUDNBSSA-N 1 2 307.350 0.171 10 0 DCAELO CCn1cc(C(=O)C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)cn1 ZINC000136544274 395947816 /nfs/dbraw/zinc/94/78/16/395947816.db2.gz DWBMOSWPQWRNAK-GXTWGEPZSA-N 1 2 320.393 0.265 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)c2cccnc2)C[C@H]1[NH+]1CCOCC1 ZINC000246405986 395949212 /nfs/dbraw/zinc/94/92/12/395949212.db2.gz DRKKBNTUCUSAGX-TZMCWYRMSA-N 1 2 311.407 0.423 10 0 DCAELO CCOCCNC(=O)C[N@@H+]1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000246959284 395961710 /nfs/dbraw/zinc/96/17/10/395961710.db2.gz SNGHKMKCBGGRIV-BFHYXJOUSA-N 1 2 300.399 0.407 10 0 DCAELO CCOCCNC(=O)C[N@H+]1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000246959284 395961711 /nfs/dbraw/zinc/96/17/11/395961711.db2.gz SNGHKMKCBGGRIV-BFHYXJOUSA-N 1 2 300.399 0.407 10 0 DCAELO C[C@@H](C(=O)NCC(F)(F)F)[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000247251365 395970868 /nfs/dbraw/zinc/97/08/68/395970868.db2.gz UANCKKPPBGAUCC-VHSXEESVSA-N 1 2 305.304 0.982 10 0 DCAELO C[C@@H](C(=O)NCC(F)(F)F)[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000247251365 395970870 /nfs/dbraw/zinc/97/08/70/395970870.db2.gz UANCKKPPBGAUCC-VHSXEESVSA-N 1 2 305.304 0.982 10 0 DCAELO O=C1CCCN1c1ccc(OC[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000153667762 396024604 /nfs/dbraw/zinc/02/46/04/396024604.db2.gz YNGNJPTWFVJYHB-HNNXBMFYSA-N 1 2 320.389 0.885 10 0 DCAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1ccc(F)cc1Cl ZINC000154118311 396031556 /nfs/dbraw/zinc/03/15/56/396031556.db2.gz PGSRANHHEKFBDX-LLVKDONJSA-N 1 2 316.760 0.902 10 0 DCAELO O=C(COc1ccccc1F)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000154125851 396032413 /nfs/dbraw/zinc/03/24/13/396032413.db2.gz QJMMEIUFLYQSKI-GFCCVEGCSA-N 1 2 312.341 0.014 10 0 DCAELO C[C@@H](NC(N)=O)C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000255354681 396032968 /nfs/dbraw/zinc/03/29/68/396032968.db2.gz ORZHRIKLQGQWRB-BMWLXYDHSA-N 1 2 316.405 0.901 10 0 DCAELO CCN1CCC[N@H+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)CC1=O ZINC000249268761 396004136 /nfs/dbraw/zinc/00/41/36/396004136.db2.gz IUZJIXHPAACRNL-CABCVRRESA-N 1 2 323.437 0.711 10 0 DCAELO CCN1CCC[N@@H+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)CC1=O ZINC000249268761 396004140 /nfs/dbraw/zinc/00/41/40/396004140.db2.gz IUZJIXHPAACRNL-CABCVRRESA-N 1 2 323.437 0.711 10 0 DCAELO Cn1cnc(S(=O)(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1Cl ZINC000249710511 396011942 /nfs/dbraw/zinc/01/19/42/396011942.db2.gz UZLDBWUCPBOBLM-JTQLQIEISA-N 1 2 318.830 0.932 10 0 DCAELO Cn1cnc(S(=O)(=O)N2CC[N@H+]3CCCC[C@H]3C2)c1Cl ZINC000249710511 396011944 /nfs/dbraw/zinc/01/19/44/396011944.db2.gz UZLDBWUCPBOBLM-JTQLQIEISA-N 1 2 318.830 0.932 10 0 DCAELO CSc1ncc(Cl)c(C(=O)NC[C@@H]2C[N@H+](C)CCO2)n1 ZINC000171288502 396112765 /nfs/dbraw/zinc/11/27/65/396112765.db2.gz AMSLVJGGSGPELB-MRVPVSSYSA-N 1 2 316.814 0.912 10 0 DCAELO CSc1ncc(Cl)c(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000171288502 396112768 /nfs/dbraw/zinc/11/27/68/396112768.db2.gz AMSLVJGGSGPELB-MRVPVSSYSA-N 1 2 316.814 0.912 10 0 DCAELO Cn1cc([C@@H]2CN(C(=O)[C@@H]3CC(F)(F)C[NH2+]3)CCO2)cn1 ZINC000263219410 396206777 /nfs/dbraw/zinc/20/67/77/396206777.db2.gz LPCLWGUMQDYNNG-QWRGUYRKSA-N 1 2 300.309 0.317 10 0 DCAELO CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263223658 396206969 /nfs/dbraw/zinc/20/69/69/396206969.db2.gz MKTDUIBEFZOOEE-MXWKQRLJSA-N 1 2 303.353 0.747 10 0 DCAELO Cn1cc(N2CC[C@H]([N@@H+]3CC[C@](O)(C(F)(F)F)C3)C2=O)cn1 ZINC000177279531 396171421 /nfs/dbraw/zinc/17/14/21/396171421.db2.gz VPVUCEXULXFXRM-CMPLNLGQSA-N 1 2 318.299 0.525 10 0 DCAELO Cn1cc(N2CC[C@H]([N@H+]3CC[C@](O)(C(F)(F)F)C3)C2=O)cn1 ZINC000177279531 396171424 /nfs/dbraw/zinc/17/14/24/396171424.db2.gz VPVUCEXULXFXRM-CMPLNLGQSA-N 1 2 318.299 0.525 10 0 DCAELO CC(C)(C)n1cc(CN2CC[NH+]([C@H]3CCNC3=O)CC2)cn1 ZINC000178199672 396191201 /nfs/dbraw/zinc/19/12/01/396191201.db2.gz ZZTVDNQNAPIMLH-AWEZNQCLSA-N 1 2 305.426 0.644 10 0 DCAELO O=C(c1ccccc1)N1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263072371 396200699 /nfs/dbraw/zinc/20/06/99/396200699.db2.gz WQLFXYGNAZWVCD-CYBMUJFWSA-N 1 2 323.343 0.968 10 0 DCAELO C[C@H](NC(=O)[C@H]1CC(F)(F)C[NH2+]1)C(=O)N1CCCC[C@H]1C ZINC000263110269 396202000 /nfs/dbraw/zinc/20/20/00/396202000.db2.gz AFBPQKHXLJTLBO-OUAUKWLOSA-N 1 2 303.353 0.889 10 0 DCAELO Cn1nccc1[C@@H]1CCCCN1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000281937687 396249826 /nfs/dbraw/zinc/24/98/26/396249826.db2.gz RKVWGSYJYWEXOU-ZFWWWQNUSA-N 1 2 321.425 0.987 10 0 DCAELO Cn1nccc1[C@@H]1CCCCN1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000281937687 396249827 /nfs/dbraw/zinc/24/98/27/396249827.db2.gz RKVWGSYJYWEXOU-ZFWWWQNUSA-N 1 2 321.425 0.987 10 0 DCAELO CCc1occc1C(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000280671450 396214325 /nfs/dbraw/zinc/21/43/25/396214325.db2.gz GFVSMKXHJCTWIU-NSHDSACASA-N 1 2 309.366 0.100 10 0 DCAELO CCc1occc1C(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000280671450 396214327 /nfs/dbraw/zinc/21/43/27/396214327.db2.gz GFVSMKXHJCTWIU-NSHDSACASA-N 1 2 309.366 0.100 10 0 DCAELO CCCCOCCNC(=O)C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000185198477 396320913 /nfs/dbraw/zinc/32/09/13/396320913.db2.gz ZFTZTITWRHDMPV-HNNXBMFYSA-N 1 2 300.399 0.411 10 0 DCAELO CCCCOCCNC(=O)C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000185198477 396320918 /nfs/dbraw/zinc/32/09/18/396320918.db2.gz ZFTZTITWRHDMPV-HNNXBMFYSA-N 1 2 300.399 0.411 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(-c3nc[nH]n3)cc2)C1 ZINC000185099719 396317877 /nfs/dbraw/zinc/31/78/77/396317877.db2.gz JTFOHYBERJIZGJ-ZDUSSCGKSA-N 1 2 301.350 0.532 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(-c3nc[nH]n3)cc2)C1 ZINC000185099719 396317881 /nfs/dbraw/zinc/31/78/81/396317881.db2.gz JTFOHYBERJIZGJ-ZDUSSCGKSA-N 1 2 301.350 0.532 10 0 DCAELO CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2cc(OC)ncn2)CC1 ZINC000184064096 396283608 /nfs/dbraw/zinc/28/36/08/396283608.db2.gz GJFUGIUWZJPQMD-OLZOCXBDSA-N 1 2 321.425 0.910 10 0 DCAELO COc1cc(N2CC[NH+]([C@@H](C)C(=O)N(C)C(C)C)CC2)ncn1 ZINC000184093167 396285031 /nfs/dbraw/zinc/28/50/31/396285031.db2.gz SUBGWMAVEHEVCQ-ZDUSSCGKSA-N 1 2 321.425 0.863 10 0 DCAELO Cc1cccc(F)c1S(=O)(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000184275288 396289355 /nfs/dbraw/zinc/28/93/55/396289355.db2.gz HTAYMNSKNYZAAY-NSHDSACASA-N 1 2 302.371 0.743 10 0 DCAELO Cc1cccc(F)c1S(=O)(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000184275288 396289357 /nfs/dbraw/zinc/28/93/57/396289357.db2.gz HTAYMNSKNYZAAY-NSHDSACASA-N 1 2 302.371 0.743 10 0 DCAELO COCCCCS(=O)(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000184385528 396293042 /nfs/dbraw/zinc/29/30/42/396293042.db2.gz YGFPGSNSKBKENH-UHFFFAOYSA-N 1 2 308.444 0.443 10 0 DCAELO COCCCCS(=O)(=O)NCC[N@H+]1CCOCC1(C)C ZINC000184385528 396293045 /nfs/dbraw/zinc/29/30/45/396293045.db2.gz YGFPGSNSKBKENH-UHFFFAOYSA-N 1 2 308.444 0.443 10 0 DCAELO O=c1[nH]c(C[N@H+]2C[C@@H](O)C[C@@H]2CO)nc2ccc(Cl)cc12 ZINC000184731377 396303977 /nfs/dbraw/zinc/30/39/77/396303977.db2.gz DHUJOICFVVSYJL-ZJUUUORDSA-N 1 2 309.753 0.504 10 0 DCAELO O=c1[nH]c(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)nc2ccc(Cl)cc12 ZINC000184731377 396303978 /nfs/dbraw/zinc/30/39/78/396303978.db2.gz DHUJOICFVVSYJL-ZJUUUORDSA-N 1 2 309.753 0.504 10 0 DCAELO Cc1nc(N2CCN(C(=O)Nc3nncs3)CC2)cc[nH+]1 ZINC000185365888 396325895 /nfs/dbraw/zinc/32/58/95/396325895.db2.gz ZLIOPJVBQHSSNQ-UHFFFAOYSA-N 1 2 305.367 0.991 10 0 DCAELO COCCO[C@H]1CCN(c2cc(N3CCC[C@@H]3CO)nc[nH+]2)C1 ZINC000186751446 396356750 /nfs/dbraw/zinc/35/67/50/396356750.db2.gz QPMAVEGAXOIMHB-KGLIPLIRSA-N 1 2 322.409 0.679 10 0 DCAELO COCCO[C@H]1CCN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)C1 ZINC000186751446 396356753 /nfs/dbraw/zinc/35/67/53/396356753.db2.gz QPMAVEGAXOIMHB-KGLIPLIRSA-N 1 2 322.409 0.679 10 0 DCAELO COC(=O)[C@@H]1C[C@H]1C(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186445086 396350016 /nfs/dbraw/zinc/35/00/16/396350016.db2.gz IXHGSMYVYRARQH-CHWSQXEVSA-N 1 2 303.362 0.929 10 0 DCAELO CCn1cc([C@H]2C[N@H+](CCCN3C(=O)CNC3=O)CCO2)cn1 ZINC000190790908 396412079 /nfs/dbraw/zinc/41/20/79/396412079.db2.gz USQCBCDKARTMNK-CYBMUJFWSA-N 1 2 321.381 0.218 10 0 DCAELO CCn1cc([C@H]2C[N@@H+](CCCN3C(=O)CNC3=O)CCO2)cn1 ZINC000190790908 396412080 /nfs/dbraw/zinc/41/20/80/396412080.db2.gz USQCBCDKARTMNK-CYBMUJFWSA-N 1 2 321.381 0.218 10 0 DCAELO COc1cccc(CN(C)C(=O)C[N@@H+]2CCCN(C)C(=O)C2)c1 ZINC000191098862 396415251 /nfs/dbraw/zinc/41/52/51/396415251.db2.gz JUFZZZPPDWUBCG-UHFFFAOYSA-N 1 2 319.405 0.818 10 0 DCAELO COc1cccc(CN(C)C(=O)C[N@H+]2CCCN(C)C(=O)C2)c1 ZINC000191098862 396415253 /nfs/dbraw/zinc/41/52/53/396415253.db2.gz JUFZZZPPDWUBCG-UHFFFAOYSA-N 1 2 319.405 0.818 10 0 DCAELO CN1CCC[N@H+](CC(=O)NC(=O)Nc2ccccc2)CC1=O ZINC000191109334 396415851 /nfs/dbraw/zinc/41/58/51/396415851.db2.gz YYBLRHREPARHTI-UHFFFAOYSA-N 1 2 304.350 0.499 10 0 DCAELO CN1CCC[N@@H+](CC(=O)NC(=O)Nc2ccccc2)CC1=O ZINC000191109334 396415854 /nfs/dbraw/zinc/41/58/54/396415854.db2.gz YYBLRHREPARHTI-UHFFFAOYSA-N 1 2 304.350 0.499 10 0 DCAELO Cc1ccccc1CCNC(=O)C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000371817367 396477570 /nfs/dbraw/zinc/47/75/70/396477570.db2.gz WBZVBRBHPQUPBG-KRWDZBQOSA-N 1 2 317.433 0.670 10 0 DCAELO Cc1ccccc1CCNC(=O)C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000371817367 396477571 /nfs/dbraw/zinc/47/75/71/396477571.db2.gz WBZVBRBHPQUPBG-KRWDZBQOSA-N 1 2 317.433 0.670 10 0 DCAELO Cc1ccccc1CN(C)C(=O)C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000371834592 396478275 /nfs/dbraw/zinc/47/82/75/396478275.db2.gz LMHKJBSLMWPEQB-KRWDZBQOSA-N 1 2 317.433 0.970 10 0 DCAELO Cc1ccccc1CN(C)C(=O)C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000371834592 396478276 /nfs/dbraw/zinc/47/82/76/396478276.db2.gz LMHKJBSLMWPEQB-KRWDZBQOSA-N 1 2 317.433 0.970 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H]1CC(=O)N(C)C1)C2 ZINC000372465883 396519815 /nfs/dbraw/zinc/51/98/15/396519815.db2.gz SKAYIPNLZGJGBY-WDEREUQCSA-N 1 2 304.394 0.985 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H]1CC(=O)N(C)C1)CC2 ZINC000372465883 396519817 /nfs/dbraw/zinc/51/98/17/396519817.db2.gz SKAYIPNLZGJGBY-WDEREUQCSA-N 1 2 304.394 0.985 10 0 DCAELO O=C(C[N@H+]1C[C@H](F)C[C@@H]1CO)NC(=O)NC1CCCCC1 ZINC000372511344 396523106 /nfs/dbraw/zinc/52/31/06/396523106.db2.gz DXEDOKFYZKOJAE-ZYHUDNBSSA-N 1 2 301.362 0.550 10 0 DCAELO O=C(C[N@@H+]1C[C@H](F)C[C@@H]1CO)NC(=O)NC1CCCCC1 ZINC000372511344 396523110 /nfs/dbraw/zinc/52/31/10/396523110.db2.gz DXEDOKFYZKOJAE-ZYHUDNBSSA-N 1 2 301.362 0.550 10 0 DCAELO CCn1ccnc(N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)c1=O ZINC000373684973 396606962 /nfs/dbraw/zinc/60/69/62/396606962.db2.gz WIGVMDZOABJFNR-GFCCVEGCSA-N 1 2 302.382 0.490 10 0 DCAELO CCNC(=O)N1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000373727115 396610431 /nfs/dbraw/zinc/61/04/31/396610431.db2.gz KNAVHIKHRDVMLS-NWDGAFQWSA-N 1 2 305.382 0.366 10 0 DCAELO CCCn1cc(C(=O)N(CC(N)=O)C[C@H]2C[N@H+](C)CCO2)cn1 ZINC000328627421 396825270 /nfs/dbraw/zinc/82/52/70/396825270.db2.gz GCGLKFDZSAZMTD-CYBMUJFWSA-N 1 2 323.397 0.601 10 0 DCAELO CCCn1cc(C(=O)N(CC(N)=O)C[C@H]2C[N@@H+](C)CCO2)cn1 ZINC000328627421 396825274 /nfs/dbraw/zinc/82/52/74/396825274.db2.gz GCGLKFDZSAZMTD-CYBMUJFWSA-N 1 2 323.397 0.601 10 0 DCAELO Cc1nc([C@H]2CCCCN2C(=O)[C@H](C)N2CC[NH+](C)CC2)n[nH]1 ZINC000328705605 396831194 /nfs/dbraw/zinc/83/11/94/396831194.db2.gz YTQDTNBCYGLELK-GXTWGEPZSA-N 1 2 320.441 0.803 10 0 DCAELO Cn1ncc2c1C[C@H](C(=O)N1CC[C@H]3OCC[N@H+](C)[C@H]3C1)CC2 ZINC000328860196 396834554 /nfs/dbraw/zinc/83/45/54/396834554.db2.gz AHSJASWRBSBCDH-UHOFOFEASA-N 1 2 318.421 0.457 10 0 DCAELO Cn1ncc2c1C[C@H](C(=O)N1CC[C@H]3OCC[N@@H+](C)[C@H]3C1)CC2 ZINC000328860196 396834561 /nfs/dbraw/zinc/83/45/61/396834561.db2.gz AHSJASWRBSBCDH-UHOFOFEASA-N 1 2 318.421 0.457 10 0 DCAELO c1cnc(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)nn1 ZINC000625642763 396964047 /nfs/dbraw/zinc/96/40/47/396964047.db2.gz XVYUPWLEYOPMJR-UHFFFAOYSA-N 1 2 313.361 0.965 10 0 DCAELO Cc1cc(CCNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)on1 ZINC000572508761 397067965 /nfs/dbraw/zinc/06/79/65/397067965.db2.gz LAEJLVPCTPWBQR-UHFFFAOYSA-N 1 2 310.398 0.936 10 0 DCAELO Cc1cc(CCNC(=O)NCC[N@H+]2CCOC(C)(C)C2)on1 ZINC000572508761 397067969 /nfs/dbraw/zinc/06/79/69/397067969.db2.gz LAEJLVPCTPWBQR-UHFFFAOYSA-N 1 2 310.398 0.936 10 0 DCAELO C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000377908943 397162358 /nfs/dbraw/zinc/16/23/58/397162358.db2.gz IBZZNBUWMHZIIH-XHNCKOQMSA-N 1 2 309.288 0.626 10 0 DCAELO C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000377908943 397162360 /nfs/dbraw/zinc/16/23/60/397162360.db2.gz IBZZNBUWMHZIIH-XHNCKOQMSA-N 1 2 309.288 0.626 10 0 DCAELO O=C(C[N@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O)N1CCOCC1 ZINC000408043031 397344679 /nfs/dbraw/zinc/34/46/79/397344679.db2.gz IYRXTPOUTNFOPB-RRFJBIMHSA-N 1 2 312.410 0.097 10 0 DCAELO O=C(C[N@@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O)N1CCOCC1 ZINC000408043031 397344683 /nfs/dbraw/zinc/34/46/83/397344683.db2.gz IYRXTPOUTNFOPB-RRFJBIMHSA-N 1 2 312.410 0.097 10 0 DCAELO CO[C@H]1C[C@@H](CN(C)Cc2cc(=O)n3[nH]ccc3n2)[N@H+](C)C1 ZINC000578212376 397407470 /nfs/dbraw/zinc/40/74/70/397407470.db2.gz LRWHEBLHGVNPPA-STQMWFEESA-N 1 2 305.382 0.174 10 0 DCAELO CO[C@H]1C[C@@H](CN(C)Cc2cc(=O)n3[nH]ccc3n2)[N@@H+](C)C1 ZINC000578212376 397407474 /nfs/dbraw/zinc/40/74/74/397407474.db2.gz LRWHEBLHGVNPPA-STQMWFEESA-N 1 2 305.382 0.174 10 0 DCAELO COCCN1C[C@H](C(=O)Nc2ccc3[nH+]ccn3c2)CC1=O ZINC000603885049 397625338 /nfs/dbraw/zinc/62/53/38/397625338.db2.gz OJENGEOYTYAJBA-LLVKDONJSA-N 1 2 302.334 0.768 10 0 DCAELO Cc1occc1C(=O)NCC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000607974109 397711197 /nfs/dbraw/zinc/71/11/97/397711197.db2.gz KRFLBUJKTKPBNM-CYBMUJFWSA-N 1 2 321.377 0.251 10 0 DCAELO CCOCCNC(=O)C[N@H+]1[C@H](C(=O)OC)C[C@@H]2CCCC[C@@H]21 ZINC000247103722 286095168 /nfs/dbraw/zinc/09/51/68/286095168.db2.gz ZQFHXJKJIOSDAJ-IHRRRGAJSA-N 1 2 312.410 0.945 10 0 DCAELO CCOCCNC(=O)C[N@@H+]1[C@H](C(=O)OC)C[C@@H]2CCCC[C@@H]21 ZINC000247103722 286095169 /nfs/dbraw/zinc/09/51/69/286095169.db2.gz ZQFHXJKJIOSDAJ-IHRRRGAJSA-N 1 2 312.410 0.945 10 0 DCAELO CN(CCCOc1ccccc1)C(=O)C[N@@H+]1CCNC(=O)CC1 ZINC000065954665 158034482 /nfs/dbraw/zinc/03/44/82/158034482.db2.gz HAEGXAUAAFFGQE-UHFFFAOYSA-N 1 2 319.405 0.736 10 0 DCAELO CN(CCCOc1ccccc1)C(=O)C[N@H+]1CCNC(=O)CC1 ZINC000065954665 158034485 /nfs/dbraw/zinc/03/44/85/158034485.db2.gz HAEGXAUAAFFGQE-UHFFFAOYSA-N 1 2 319.405 0.736 10 0 DCAELO Cc1ccccc1CCNC(=O)[C@@H](C)[N@@H+]1CCNC(=O)CC1 ZINC000068334233 158041627 /nfs/dbraw/zinc/04/16/27/158041627.db2.gz ZCPRNRPZMDKCIL-CQSZACIVSA-N 1 2 303.406 0.864 10 0 DCAELO Cc1ccccc1CCNC(=O)[C@@H](C)[N@H+]1CCNC(=O)CC1 ZINC000068334233 158041629 /nfs/dbraw/zinc/04/16/29/158041629.db2.gz ZCPRNRPZMDKCIL-CQSZACIVSA-N 1 2 303.406 0.864 10 0 DCAELO Cc1cc(C)n2c(C[N@@H+]3CCN4C(=O)NC[C@@H]4C3)cnc2n1 ZINC000091864697 158110629 /nfs/dbraw/zinc/11/06/29/158110629.db2.gz NQXVOCMSIJIUPL-GFCCVEGCSA-N 1 2 300.366 0.556 10 0 DCAELO Cc1cc(C)n2c(C[N@H+]3CCN4C(=O)NC[C@@H]4C3)cnc2n1 ZINC000091864697 158110631 /nfs/dbraw/zinc/11/06/31/158110631.db2.gz NQXVOCMSIJIUPL-GFCCVEGCSA-N 1 2 300.366 0.556 10 0 DCAELO COCC[N@H+]1CCN(c2ncc(C(N)=O)cc2Cl)C[C@@H]1C ZINC000109320180 158136738 /nfs/dbraw/zinc/13/67/38/158136738.db2.gz SKSAIVAOSBNUPY-JTQLQIEISA-N 1 2 312.801 0.991 10 0 DCAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)Nc1cc(F)ccc1F ZINC000119288495 158185630 /nfs/dbraw/zinc/18/56/30/158185630.db2.gz KKIUPAIOFBYAKC-LLVKDONJSA-N 1 2 315.320 0.779 10 0 DCAELO Cc1c(CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cnn1C ZINC000122096582 158218938 /nfs/dbraw/zinc/21/89/38/158218938.db2.gz ANLVOPRLFXOKCK-AWEZNQCLSA-N 1 2 307.398 0.345 10 0 DCAELO Cc1ccccc1CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000123157201 158227247 /nfs/dbraw/zinc/22/72/47/158227247.db2.gz JVBPRFWSTPBBOB-IPYPFGDCSA-N 1 2 319.405 0.574 10 0 DCAELO Cc1ccccc1CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000123157201 158227249 /nfs/dbraw/zinc/22/72/49/158227249.db2.gz JVBPRFWSTPBBOB-IPYPFGDCSA-N 1 2 319.405 0.574 10 0 DCAELO O=S(=O)(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccccc1F ZINC000123614696 158231994 /nfs/dbraw/zinc/23/19/94/158231994.db2.gz FVTWYVKRRUGBGX-GFCCVEGCSA-N 1 2 314.382 0.967 10 0 DCAELO O=S(=O)(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1ccccc1F ZINC000123614696 158231995 /nfs/dbraw/zinc/23/19/95/158231995.db2.gz FVTWYVKRRUGBGX-GFCCVEGCSA-N 1 2 314.382 0.967 10 0 DCAELO O=C(CCOC[C@@H]1CCCO1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000127326623 158273196 /nfs/dbraw/zinc/27/31/96/158273196.db2.gz QOGQXWGDIFKIFN-LSDHHAIUSA-N 1 2 312.410 0.552 10 0 DCAELO O=C(CCOC[C@@H]1CCCO1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000127326623 158273198 /nfs/dbraw/zinc/27/31/98/158273198.db2.gz QOGQXWGDIFKIFN-LSDHHAIUSA-N 1 2 312.410 0.552 10 0 DCAELO COCc1ccc(C(=O)NC[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000129079534 158285345 /nfs/dbraw/zinc/28/53/45/158285345.db2.gz AOJLBSZMYXTSQI-HNNXBMFYSA-N 1 2 308.378 0.256 10 0 DCAELO C[C@H](Cc1ccccc1)C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000132277209 158309239 /nfs/dbraw/zinc/30/92/39/158309239.db2.gz VDTMEVHADGWBHK-GDBMZVCRSA-N 1 2 306.406 0.675 10 0 DCAELO CCC(=O)N1CC[C@@H](NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000135143694 158333475 /nfs/dbraw/zinc/33/34/75/158333475.db2.gz SONCQCKNMCMIQG-KGLIPLIRSA-N 1 2 324.425 0.113 10 0 DCAELO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)[C@@H]1CCCc2n[nH]cc21 ZINC000135574100 158338988 /nfs/dbraw/zinc/33/89/88/158338988.db2.gz MMKXEVFBASNJKK-CHWSQXEVSA-N 1 2 304.394 0.809 10 0 DCAELO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)[C@@H]1CCCc2n[nH]cc21 ZINC000135574100 158338991 /nfs/dbraw/zinc/33/89/91/158338991.db2.gz MMKXEVFBASNJKK-CHWSQXEVSA-N 1 2 304.394 0.809 10 0 DCAELO O=C(CCOCC(F)(F)F)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172747588 158398157 /nfs/dbraw/zinc/39/81/57/158398157.db2.gz SPXHXMRJFJYZPK-LLVKDONJSA-N 1 2 310.316 0.889 10 0 DCAELO CC(=O)N1CCC[C@@H](C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000172766191 158399704 /nfs/dbraw/zinc/39/97/04/158399704.db2.gz PHQPNFNROLRITD-CABCVRRESA-N 1 2 309.410 0.178 10 0 DCAELO Cn1cnn(-c2ccc(NC(=O)[C@H]3CC(F)(F)C[NH2+]3)cc2)c1=O ZINC000263157079 158859406 /nfs/dbraw/zinc/85/94/06/158859406.db2.gz DNIHFGHZCLJNBT-LLVKDONJSA-N 1 2 323.303 0.507 10 0 DCAELO Cc1nsc(N2CC[NH+]([C@H]3CCN(C4CC4)C3=O)CC2)n1 ZINC000328619658 159015856 /nfs/dbraw/zinc/01/58/56/159015856.db2.gz WEWMHJPBIGLPGA-LBPRGKRZSA-N 1 2 307.423 0.732 10 0 DCAELO Cc1nc(C)n(C[C@H]2C[N@H+](CC(=O)N(C)C3CC3)CCO2)n1 ZINC000328669271 159018940 /nfs/dbraw/zinc/01/89/40/159018940.db2.gz FCUGNRSCFIDBAE-CQSZACIVSA-N 1 2 307.398 0.217 10 0 DCAELO Cc1nc(C)n(C[C@H]2C[N@@H+](CC(=O)N(C)C3CC3)CCO2)n1 ZINC000328669271 159018941 /nfs/dbraw/zinc/01/89/41/159018941.db2.gz FCUGNRSCFIDBAE-CQSZACIVSA-N 1 2 307.398 0.217 10 0 DCAELO Cn1cc(C[NH+]2CCN(C(=O)[C@@H]3CCCC(=O)N3)CC2)cn1 ZINC000328883714 159038267 /nfs/dbraw/zinc/03/82/67/159038267.db2.gz MJDUUINRGAHQJS-ZDUSSCGKSA-N 1 2 305.382 0.573 10 0 DCAELO Cc1nn(C)c(C)c1[C@@H]1COCC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC000329150769 159067745 /nfs/dbraw/zinc/06/77/45/159067745.db2.gz RWEKUFXJOATJGM-GJZGRUSLSA-N 1 2 319.409 0.668 10 0 DCAELO Cc1nn(C)c(C)c1[C@@H]1COCC[N@H+]1C[C@H](O)Cn1cccn1 ZINC000329150769 159067747 /nfs/dbraw/zinc/06/77/47/159067747.db2.gz RWEKUFXJOATJGM-GJZGRUSLSA-N 1 2 319.409 0.668 10 0 DCAELO C[C@H](C(=O)N1CC[C@H](OCc2ccncc2)C1)[NH+]1CCOCC1 ZINC000329310053 159081109 /nfs/dbraw/zinc/08/11/09/159081109.db2.gz FRIGBXIXTLVONQ-ZBFHGGJFSA-N 1 2 319.405 0.920 10 0 DCAELO C[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]23)C[C@@H]1[NH+]1CCOCC1 ZINC000329574607 159103710 /nfs/dbraw/zinc/10/37/10/159103710.db2.gz NVGJRVMHMSELSN-DGADGQDISA-N 1 2 324.421 0.217 10 0 DCAELO Cc1nc(S(=O)(=O)N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)cn1C ZINC000329629051 159108490 /nfs/dbraw/zinc/10/84/90/159108490.db2.gz HLHBSKVHYNESJL-AAEUAGOBSA-N 1 2 312.439 0.976 10 0 DCAELO Cc1nc(S(=O)(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)cn1C ZINC000329629051 159108493 /nfs/dbraw/zinc/10/84/93/159108493.db2.gz HLHBSKVHYNESJL-AAEUAGOBSA-N 1 2 312.439 0.976 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ncn(C(C)(C)C)n3)C[C@H]21 ZINC000329751965 159117412 /nfs/dbraw/zinc/11/74/12/159117412.db2.gz VZIOAMZAZMUDDI-NEPJUHHUSA-N 1 2 307.398 0.578 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)c3ncn(C(C)(C)C)n3)C[C@H]21 ZINC000329751965 159117415 /nfs/dbraw/zinc/11/74/15/159117415.db2.gz VZIOAMZAZMUDDI-NEPJUHHUSA-N 1 2 307.398 0.578 10 0 DCAELO NC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CCO[C@]3(CCOC3)C2)C1 ZINC000329905875 159127728 /nfs/dbraw/zinc/12/77/28/159127728.db2.gz RSUGKRZUDWYAFV-SWLSCSKDSA-N 1 2 311.382 0.252 10 0 DCAELO NC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CCO[C@]3(CCOC3)C2)C1 ZINC000329905875 159127729 /nfs/dbraw/zinc/12/77/29/159127729.db2.gz RSUGKRZUDWYAFV-SWLSCSKDSA-N 1 2 311.382 0.252 10 0 DCAELO Cn1nncc1S(=O)(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000330057098 159138531 /nfs/dbraw/zinc/13/85/31/159138531.db2.gz WXEDJXSIMRMQCS-UHFFFAOYSA-N 1 2 322.394 0.157 10 0 DCAELO C[C@@]1(C(=O)N2CC[NH+](CCn3cncn3)CC2)CCCNC1=O ZINC000330265090 159155652 /nfs/dbraw/zinc/15/56/52/159155652.db2.gz YTKMRBBQQREDPF-OAHLLOKOSA-N 1 2 320.397 0.179 10 0 DCAELO C[C@H](C(=O)N(C)Cc1cn2c([nH+]1)CCCC2)N1CCOCC1 ZINC000330278556 159156394 /nfs/dbraw/zinc/15/63/94/159156394.db2.gz PUJZCVQLVRBBRP-CYBMUJFWSA-N 1 2 306.410 0.899 10 0 DCAELO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N[C@@H]1CCC(=O)N(C)C1)CCC2 ZINC000332694222 159211134 /nfs/dbraw/zinc/21/11/34/159211134.db2.gz WULJYBYQWQZULQ-CHWSQXEVSA-N 1 2 319.409 0.989 10 0 DCAELO Cc1nc2c(nccc2C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)[nH]1 ZINC000367175674 159319034 /nfs/dbraw/zinc/31/90/34/159319034.db2.gz ZOFAIGOXHWBTKK-LBPRGKRZSA-N 1 2 315.377 0.813 10 0 DCAELO COCC[N@@H+]1CCN(C(=O)C(=O)N2CCC(C)CC2)C[C@@H]1C ZINC000407991163 160005656 /nfs/dbraw/zinc/00/56/56/160005656.db2.gz OEOQDRAEGUQPFX-AWEZNQCLSA-N 1 2 311.426 0.424 10 0 DCAELO COCC[N@H+]1CCN(C(=O)C(=O)N2CCC(C)CC2)C[C@@H]1C ZINC000407991163 160005657 /nfs/dbraw/zinc/00/56/57/160005657.db2.gz OEOQDRAEGUQPFX-AWEZNQCLSA-N 1 2 311.426 0.424 10 0 DCAELO Cc1cc(S(N)(=O)=O)sc1C(=O)N1CC[NH+](C)CC1 ZINC000408020491 160013649 /nfs/dbraw/zinc/01/36/49/160013649.db2.gz IFVPDXABVULNKC-UHFFFAOYSA-N 1 2 303.409 0.092 10 0 DCAELO NC(=O)N[C@H]1CC[N@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000408023159 160013706 /nfs/dbraw/zinc/01/37/06/160013706.db2.gz QIZHNLNKRKETMC-ZZTKBFGJSA-N 1 2 320.437 0.814 10 0 DCAELO NC(=O)N[C@H]1CC[N@@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000408023159 160013709 /nfs/dbraw/zinc/01/37/09/160013709.db2.gz QIZHNLNKRKETMC-ZZTKBFGJSA-N 1 2 320.437 0.814 10 0 DCAELO Cc1noc([C@@H]2C[N@H+]([C@H](C)C(=O)N(C)C(C)C)CCN2C)n1 ZINC000408033959 160017517 /nfs/dbraw/zinc/01/75/17/160017517.db2.gz BYMNMOJGBMJKMA-YPMHNXCESA-N 1 2 309.414 0.922 10 0 DCAELO Cc1noc([C@@H]2C[N@@H+]([C@H](C)C(=O)N(C)C(C)C)CCN2C)n1 ZINC000408033959 160017519 /nfs/dbraw/zinc/01/75/19/160017519.db2.gz BYMNMOJGBMJKMA-YPMHNXCESA-N 1 2 309.414 0.922 10 0 DCAELO CS(=O)(=O)CCC[N@@H+]1CCOC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000408047110 160022383 /nfs/dbraw/zinc/02/23/83/160022383.db2.gz ZDBGXHAFNAJFCQ-MGPQQGTHSA-N 1 2 305.440 0.673 10 0 DCAELO CS(=O)(=O)CCC[N@H+]1CCOC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000408047110 160022384 /nfs/dbraw/zinc/02/23/84/160022384.db2.gz ZDBGXHAFNAJFCQ-MGPQQGTHSA-N 1 2 305.440 0.673 10 0 DCAELO C[C@@H]1C[C@H](S(=O)(=O)NCCC[NH+]2CCOCC2)CCO1 ZINC000408192301 160056838 /nfs/dbraw/zinc/05/68/38/160056838.db2.gz MKQUISNOYQNFKH-CHWSQXEVSA-N 1 2 306.428 0.196 10 0 DCAELO C[C@H]1CCCCN1C(=O)C[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000408224916 160063815 /nfs/dbraw/zinc/06/38/15/160063815.db2.gz XXFSDOGQPDNWQR-STQMWFEESA-N 1 2 302.440 0.754 10 0 DCAELO C[C@H]1CCCCN1C(=O)C[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000408224916 160063817 /nfs/dbraw/zinc/06/38/17/160063817.db2.gz XXFSDOGQPDNWQR-STQMWFEESA-N 1 2 302.440 0.754 10 0 DCAELO CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CC[NH+](C)CC2)c1 ZINC000408233818 160065176 /nfs/dbraw/zinc/06/51/76/160065176.db2.gz BKVLBDQCKOVGEX-UHFFFAOYSA-N 1 2 314.411 0.089 10 0 DCAELO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)cn1 ZINC000408448809 160109978 /nfs/dbraw/zinc/10/99/78/160109978.db2.gz BBOMZDCUMYUVPN-CHWSQXEVSA-N 1 2 313.423 0.466 10 0 DCAELO Cc1ccc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)cn1 ZINC000408448809 160109980 /nfs/dbraw/zinc/10/99/80/160109980.db2.gz BBOMZDCUMYUVPN-CHWSQXEVSA-N 1 2 313.423 0.466 10 0 DCAELO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)[C@@H]2CCO[C@@H](C)C2)CC1 ZINC000408459557 160112452 /nfs/dbraw/zinc/11/24/52/160112452.db2.gz IXNFRVUVZWUBCS-BFHYXJOUSA-N 1 2 320.455 0.272 10 0 DCAELO CNC(=O)C(C)(C)CNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000124059868 286962033 /nfs/dbraw/zinc/96/20/33/286962033.db2.gz VTGPLLQCBVCJET-UHFFFAOYSA-N 1 2 307.398 0.719 10 0 DCAELO Cc1nc(C(=O)NCc2ccc[nH+]c2N(C)C)c(=O)[nH]c1C ZINC000135906918 287024785 /nfs/dbraw/zinc/02/47/85/287024785.db2.gz DVXQZPZYOVPNJH-UHFFFAOYSA-N 1 2 301.350 0.778 10 0 DCAELO CC(C)(CNC(=O)N[C@H]1CCCn2ncnc21)[NH+]1CCOCC1 ZINC000177356857 287054708 /nfs/dbraw/zinc/05/47/08/287054708.db2.gz JESCLAWDEDSVEM-LBPRGKRZSA-N 1 2 322.413 0.523 10 0 DCAELO CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000245443210 287069247 /nfs/dbraw/zinc/06/92/47/287069247.db2.gz WYJCVPDYTGFVQO-KCJUWKMLSA-N 1 2 311.304 0.608 10 0 DCAELO CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000245443210 287069249 /nfs/dbraw/zinc/06/92/49/287069249.db2.gz WYJCVPDYTGFVQO-KCJUWKMLSA-N 1 2 311.304 0.608 10 0 DCAELO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)N2CCC[C@@H](C)C2)CC1 ZINC000245904840 287074237 /nfs/dbraw/zinc/07/42/37/287074237.db2.gz SWWZCOOIEQVFIF-ZIAGYGMSSA-N 1 2 319.471 0.352 10 0 DCAELO CCOC(=O)[C@@H](C)[N@H+](C[C@@H](O)CN1CCOCC1)C1CC1 ZINC000248939520 287103953 /nfs/dbraw/zinc/10/39/53/287103953.db2.gz CJWKXPCLSZHDRA-OCCSQVGLSA-N 1 2 300.399 0.096 10 0 DCAELO CCOC(=O)[C@@H](C)[N@@H+](C[C@@H](O)CN1CCOCC1)C1CC1 ZINC000248939520 287103954 /nfs/dbraw/zinc/10/39/54/287103954.db2.gz CJWKXPCLSZHDRA-OCCSQVGLSA-N 1 2 300.399 0.096 10 0 DCAELO CCOC(=O)[C@@H](C)N(C[C@@H](O)C[NH+]1CCOCC1)C1CC1 ZINC000248939520 287103955 /nfs/dbraw/zinc/10/39/55/287103955.db2.gz CJWKXPCLSZHDRA-OCCSQVGLSA-N 1 2 300.399 0.096 10 0 DCAELO CCOCC[N@@H+]1CCN(S(=O)(=O)C[C@@H](C)OC)C[C@H]1C ZINC000249607358 287116336 /nfs/dbraw/zinc/11/63/36/287116336.db2.gz RMAWHYOGGWNMQC-CHWSQXEVSA-N 1 2 308.444 0.394 10 0 DCAELO CCOCC[N@H+]1CCN(S(=O)(=O)C[C@@H](C)OC)C[C@H]1C ZINC000249607358 287116340 /nfs/dbraw/zinc/11/63/40/287116340.db2.gz RMAWHYOGGWNMQC-CHWSQXEVSA-N 1 2 308.444 0.394 10 0 DCAELO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)NC)CCN1CC(F)F ZINC000153386302 287206685 /nfs/dbraw/zinc/20/66/85/287206685.db2.gz HZCAUYBPJQWJLY-VHSXEESVSA-N 1 2 306.357 0.492 10 0 DCAELO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)NC)CCN1CC(F)F ZINC000153386302 287206688 /nfs/dbraw/zinc/20/66/88/287206688.db2.gz HZCAUYBPJQWJLY-VHSXEESVSA-N 1 2 306.357 0.492 10 0 DCAELO CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000375116619 287227178 /nfs/dbraw/zinc/22/71/78/287227178.db2.gz WHHQQBDAQGAWNK-IUODEOHRSA-N 1 2 313.398 0.348 10 0 DCAELO CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000375116619 287227181 /nfs/dbraw/zinc/22/71/81/287227181.db2.gz WHHQQBDAQGAWNK-IUODEOHRSA-N 1 2 313.398 0.348 10 0 DCAELO NC(=O)[C@]1(O)CC[N@H+](Cc2ncccc2Br)C1 ZINC000383427690 685242750 /nfs/dbraw/zinc/24/27/50/685242750.db2.gz BKFIFOCFZYILLJ-NSHDSACASA-N 1 2 300.156 0.266 10 0 DCAELO NC(=O)[C@]1(O)CC[N@@H+](Cc2ncccc2Br)C1 ZINC000383427690 685242752 /nfs/dbraw/zinc/24/27/52/685242752.db2.gz BKFIFOCFZYILLJ-NSHDSACASA-N 1 2 300.156 0.266 10 0 DCAELO CN(Cc1cnn(C)c1)C(=O)C[N@H+](C)CC(=O)NC(C)(C)C ZINC000051905883 415319649 /nfs/dbraw/zinc/31/96/49/415319649.db2.gz HMPFQHRWGCFTIH-UHFFFAOYSA-N 1 2 309.414 0.225 10 0 DCAELO CN(Cc1cnn(C)c1)C(=O)C[N@@H+](C)CC(=O)NC(C)(C)C ZINC000051905883 415319658 /nfs/dbraw/zinc/31/96/58/415319658.db2.gz HMPFQHRWGCFTIH-UHFFFAOYSA-N 1 2 309.414 0.225 10 0 DCAELO Cn1cc[nH+]c1[C@@H]1CN(C(=O)N[C@H]2CCCOCC2)CCN1C ZINC000275386667 415378150 /nfs/dbraw/zinc/37/81/50/415378150.db2.gz AJGHAOFMYMQMNZ-KBPBESRZSA-N 1 2 321.425 0.987 10 0 DCAELO CO[C@](C)(CNC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1)C1CC1 ZINC000332878305 415501849 /nfs/dbraw/zinc/50/18/49/415501849.db2.gz UTJZLLYWJQCXON-IIAWOOMASA-N 1 2 311.426 0.916 10 0 DCAELO CO[C@](C)(CNC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1)C1CC1 ZINC000332878305 415501856 /nfs/dbraw/zinc/50/18/56/415501856.db2.gz UTJZLLYWJQCXON-IIAWOOMASA-N 1 2 311.426 0.916 10 0 DCAELO C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)C2)[C@@H]1c1ccccc1 ZINC000332753228 415461823 /nfs/dbraw/zinc/46/18/23/415461823.db2.gz GLSGNWNSNJJYHC-KKUMJFAQSA-N 1 2 322.430 0.983 10 0 DCAELO C[N@H+]1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)C2)[C@@H]1c1ccccc1 ZINC000332753228 415461830 /nfs/dbraw/zinc/46/18/30/415461830.db2.gz GLSGNWNSNJJYHC-KKUMJFAQSA-N 1 2 322.430 0.983 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)NCc3noc(C4CC4)n3)C[C@@H]21 ZINC000332755926 415466596 /nfs/dbraw/zinc/46/65/96/415466596.db2.gz KUIXMWBODSDWFS-RYUDHWBXSA-N 1 2 321.381 0.562 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)NCc3noc(C4CC4)n3)C[C@@H]21 ZINC000332755926 415466601 /nfs/dbraw/zinc/46/66/01/415466601.db2.gz KUIXMWBODSDWFS-RYUDHWBXSA-N 1 2 321.381 0.562 10 0 DCAELO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000333108662 415561005 /nfs/dbraw/zinc/56/10/05/415561005.db2.gz DOZOQGVPBQLHON-LXTVHRRPSA-N 1 2 316.467 0.893 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@H]3CCCc4n[nH]cc43)C[C@H]21 ZINC000284698559 415603127 /nfs/dbraw/zinc/60/31/27/415603127.db2.gz OIDOUVOADNYFHQ-NILFDRSVSA-N 1 2 304.394 0.761 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@H]3CCCc4n[nH]cc43)C[C@H]21 ZINC000284698559 415603134 /nfs/dbraw/zinc/60/31/34/415603134.db2.gz OIDOUVOADNYFHQ-NILFDRSVSA-N 1 2 304.394 0.761 10 0 DCAELO CCC(=O)N[C@H]1CCCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000105279256 415629720 /nfs/dbraw/zinc/62/97/20/415629720.db2.gz ZJXQITHXQNMBBB-QWHCGFSZSA-N 1 2 312.414 0.017 10 0 DCAELO CCC(=O)N[C@H]1CCCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000105279256 415629729 /nfs/dbraw/zinc/62/97/29/415629729.db2.gz ZJXQITHXQNMBBB-QWHCGFSZSA-N 1 2 312.414 0.017 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@H]3COc4ccccc4O3)C[C@@H]21 ZINC000283997303 415593030 /nfs/dbraw/zinc/59/30/30/415593030.db2.gz IEKPSRMFSBDRRO-WOSRLPQWSA-N 1 2 318.373 0.758 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@H]3COc4ccccc4O3)C[C@@H]21 ZINC000283997303 415593037 /nfs/dbraw/zinc/59/30/37/415593037.db2.gz IEKPSRMFSBDRRO-WOSRLPQWSA-N 1 2 318.373 0.758 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@@H]3COc4ccccc4O3)C[C@@H]21 ZINC000283997313 415594138 /nfs/dbraw/zinc/59/41/38/415594138.db2.gz IEKPSRMFSBDRRO-ZENOOKHLSA-N 1 2 318.373 0.758 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@@H]3COc4ccccc4O3)C[C@@H]21 ZINC000283997313 415594142 /nfs/dbraw/zinc/59/41/42/415594142.db2.gz IEKPSRMFSBDRRO-ZENOOKHLSA-N 1 2 318.373 0.758 10 0 DCAELO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)N2CCC[C@H](C)C2)CC1 ZINC000123326711 415841966 /nfs/dbraw/zinc/84/19/66/415841966.db2.gz HGJBEKOVRKNFAW-UONOGXRCSA-N 1 2 319.471 0.352 10 0 DCAELO CC(C)([NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1)c1nccs1 ZINC000173423820 416058373 /nfs/dbraw/zinc/05/83/73/416058373.db2.gz DEILFFVKOTVIJF-SNVBAGLBSA-N 1 2 310.423 0.692 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)NCC[C@@H](C)O)nc[nH+]1 ZINC000173424840 416059113 /nfs/dbraw/zinc/05/91/13/416059113.db2.gz SXJYZSYGXWJFDH-VXGBXAGGSA-N 1 2 322.413 0.557 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)NCC[C@@H](C)O)[nH+]cn1 ZINC000173424840 416059115 /nfs/dbraw/zinc/05/91/15/416059115.db2.gz SXJYZSYGXWJFDH-VXGBXAGGSA-N 1 2 322.413 0.557 10 0 DCAELO CCOCCO[C@H](C)C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000173867074 416068445 /nfs/dbraw/zinc/06/84/45/416068445.db2.gz GKQMSRSTEXTENJ-RRFJBIMHSA-N 1 2 314.426 0.607 10 0 DCAELO CN(C)c1ccnc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000173978229 416069391 /nfs/dbraw/zinc/06/93/91/416069391.db2.gz JGSHEGNRRJGNAU-AWEZNQCLSA-N 1 2 304.394 0.694 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)N2CCC(c3cc[nH]n3)CC2)C1 ZINC000159151111 416007747 /nfs/dbraw/zinc/00/77/47/416007747.db2.gz OOJOTZFLTAJZNY-CYBMUJFWSA-N 1 2 307.398 0.629 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)N2CCC(c3cc[nH]n3)CC2)C1 ZINC000159151111 416007750 /nfs/dbraw/zinc/00/77/50/416007750.db2.gz OOJOTZFLTAJZNY-CYBMUJFWSA-N 1 2 307.398 0.629 10 0 DCAELO CC(C)Cn1cnc(S(=O)(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000174993015 416092283 /nfs/dbraw/zinc/09/22/83/416092283.db2.gz IDFSHRJENWOLTR-GFCCVEGCSA-N 1 2 316.427 0.148 10 0 DCAELO CC(C)Cn1cnc(S(=O)(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000174993015 416092288 /nfs/dbraw/zinc/09/22/88/416092288.db2.gz IDFSHRJENWOLTR-GFCCVEGCSA-N 1 2 316.427 0.148 10 0 DCAELO Cn1cc(C(N)=O)cc1C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000176090892 416119473 /nfs/dbraw/zinc/11/94/73/416119473.db2.gz RRVXNILPLOVROG-UHFFFAOYSA-N 1 2 324.344 0.635 10 0 DCAELO CC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000328856753 416135807 /nfs/dbraw/zinc/13/58/07/416135807.db2.gz DBVKEACYQJVDGB-ILXRZTDVSA-N 1 2 309.410 0.319 10 0 DCAELO CC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000328856753 416135808 /nfs/dbraw/zinc/13/58/08/416135808.db2.gz DBVKEACYQJVDGB-ILXRZTDVSA-N 1 2 309.410 0.319 10 0 DCAELO CC(=O)Nc1cc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)ccc1F ZINC000178631498 416167954 /nfs/dbraw/zinc/16/79/54/416167954.db2.gz SYABVUZDBRBIRN-ZDUSSCGKSA-N 1 2 320.368 0.514 10 0 DCAELO CCOc1c(F)cccc1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178720153 416171216 /nfs/dbraw/zinc/17/12/16/416171216.db2.gz WKDDJLQMWDKVMF-LBPRGKRZSA-N 1 2 307.369 0.954 10 0 DCAELO Cc1ccc(F)cc1NC(=O)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178965036 416178741 /nfs/dbraw/zinc/17/87/41/416178741.db2.gz UYIVKUHDACMRJD-CYBMUJFWSA-N 1 2 320.368 0.189 10 0 DCAELO Cc1cc(F)ccc1NC(=O)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178958615 416179690 /nfs/dbraw/zinc/17/96/90/416179690.db2.gz IOGUPVROVNYFOW-ZDUSSCGKSA-N 1 2 320.368 0.189 10 0 DCAELO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)CC[S@](C)=O)C[C@H](C)O1 ZINC000179154139 416182833 /nfs/dbraw/zinc/18/28/33/416182833.db2.gz GNWPPUXILCOBDJ-RZNKXZLBSA-N 1 2 316.467 0.855 10 0 DCAELO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)CC[S@](C)=O)C[C@H](C)O1 ZINC000179154139 416182838 /nfs/dbraw/zinc/18/28/38/416182838.db2.gz GNWPPUXILCOBDJ-RZNKXZLBSA-N 1 2 316.467 0.855 10 0 DCAELO CC(C)Cn1cc[nH+]c1CNC(=O)N(C[C@H](C)O)[C@@H](C)CO ZINC000190598078 416280880 /nfs/dbraw/zinc/28/08/80/416280880.db2.gz YBBVONJONKWQTB-STQMWFEESA-N 1 2 312.414 0.812 10 0 DCAELO Cc1nn(C)c(C)c1CC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000225464215 416327808 /nfs/dbraw/zinc/32/78/08/416327808.db2.gz JMKRRZVGNIKMSM-LSDHHAIUSA-N 1 2 306.410 0.511 10 0 DCAELO Cc1nn(C)c(C)c1CC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000225464215 416327809 /nfs/dbraw/zinc/32/78/09/416327809.db2.gz JMKRRZVGNIKMSM-LSDHHAIUSA-N 1 2 306.410 0.511 10 0 DCAELO C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000246590123 416332028 /nfs/dbraw/zinc/33/20/28/416332028.db2.gz SZJYRHJAUSUSGC-YRGRVCCFSA-N 1 2 311.426 0.741 10 0 DCAELO C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000246590123 416332029 /nfs/dbraw/zinc/33/20/29/416332029.db2.gz SZJYRHJAUSUSGC-YRGRVCCFSA-N 1 2 311.426 0.741 10 0 DCAELO Cc1cc2[nH+]cn(C[C@@H](O)CN3CC(=O)N(C)C3)c2cc1C ZINC000360492492 416392936 /nfs/dbraw/zinc/39/29/36/416392936.db2.gz SHFFGUPEYSREER-ZDUSSCGKSA-N 1 2 302.378 0.746 10 0 DCAELO Cc1cc(C[C@H](C)NC(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)n[nH]1 ZINC000458545107 416478778 /nfs/dbraw/zinc/47/87/78/416478778.db2.gz FTPBDNQIHFQQME-FPMFFAJLSA-N 1 2 323.441 0.746 10 0 DCAELO Cc1cc(C[C@H](C)NC(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)n[nH]1 ZINC000458545107 416478784 /nfs/dbraw/zinc/47/87/84/416478784.db2.gz FTPBDNQIHFQQME-FPMFFAJLSA-N 1 2 323.441 0.746 10 0 DCAELO CCc1n[nH]cc1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000596165565 416578206 /nfs/dbraw/zinc/57/82/06/416578206.db2.gz OIZRAWUZLXYZEV-UHFFFAOYSA-N 1 2 318.381 0.753 10 0 DCAELO CCc1[nH]ncc1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000596165565 416578210 /nfs/dbraw/zinc/57/82/10/416578210.db2.gz OIZRAWUZLXYZEV-UHFFFAOYSA-N 1 2 318.381 0.753 10 0 DCAELO Cc1cnc(C[NH+]2CCC([C@]3(C)NC(=O)NC3=O)CC2)nc1 ZINC000515077773 416692694 /nfs/dbraw/zinc/69/26/94/416692694.db2.gz QMVFKBQHHUNKSA-HNNXBMFYSA-N 1 2 303.366 0.595 10 0 DCAELO Cc1ccc(CNC(=O)C[N@@H+]2CCN3CCOC[C@@H]3C2)cc1 ZINC000368820236 416695601 /nfs/dbraw/zinc/69/56/01/416695601.db2.gz CMMZFUFJEGVCPU-INIZCTEOSA-N 1 2 303.406 0.628 10 0 DCAELO Cc1ccc(CNC(=O)C[N@H+]2CCN3CCOC[C@@H]3C2)cc1 ZINC000368820236 416695605 /nfs/dbraw/zinc/69/56/05/416695605.db2.gz CMMZFUFJEGVCPU-INIZCTEOSA-N 1 2 303.406 0.628 10 0 DCAELO C[N@@H+](CC(N)=O)C[C@@H]1CN(Cc2nc3ccccc3o2)CCO1 ZINC000370022982 416868546 /nfs/dbraw/zinc/86/85/46/416868546.db2.gz VACYGFPHWFUWIB-GFCCVEGCSA-N 1 2 318.377 0.446 10 0 DCAELO C[N@H+](CC(N)=O)C[C@@H]1CN(Cc2nc3ccccc3o2)CCO1 ZINC000370022982 416868555 /nfs/dbraw/zinc/86/85/55/416868555.db2.gz VACYGFPHWFUWIB-GFCCVEGCSA-N 1 2 318.377 0.446 10 0 DCAELO c1cnc(N2CCN(c3cc(NCC4CC4)[nH+]cn3)CC2)nn1 ZINC000624443844 417038170 /nfs/dbraw/zinc/03/81/70/417038170.db2.gz VXZBKNMCDZVULS-UHFFFAOYSA-N 1 2 312.381 0.810 10 0 DCAELO c1cnc(N2CCN(c3cc(NCC4CC4)nc[nH+]3)CC2)nn1 ZINC000624443844 417038175 /nfs/dbraw/zinc/03/81/75/417038175.db2.gz VXZBKNMCDZVULS-UHFFFAOYSA-N 1 2 312.381 0.810 10 0 DCAELO CC(C)(C)OC(=O)NCCN1CC[NH2+][C@@H](c2ncccn2)C1 ZINC000616656782 417090114 /nfs/dbraw/zinc/09/01/14/417090114.db2.gz SNUYEEIEZHAVBK-GFCCVEGCSA-N 1 2 307.398 0.948 10 0 DCAELO COC[C@H]1C[N@H+](CC2CCS(=O)(=O)CC2)CC(C)(C)O1 ZINC000408031900 417133360 /nfs/dbraw/zinc/13/33/60/417133360.db2.gz YIZNFQMLWHLSJB-CYBMUJFWSA-N 1 2 305.440 0.937 10 0 DCAELO COC[C@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)CC(C)(C)O1 ZINC000408031900 417133365 /nfs/dbraw/zinc/13/33/65/417133365.db2.gz YIZNFQMLWHLSJB-CYBMUJFWSA-N 1 2 305.440 0.937 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCc4n[nH]cc4C3)C[C@H]21 ZINC000408021890 417133766 /nfs/dbraw/zinc/13/37/66/417133766.db2.gz JYPQPLROTZNFPO-BPLDGKMQSA-N 1 2 319.409 0.382 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCc4n[nH]cc4C3)C[C@H]21 ZINC000408021890 417133774 /nfs/dbraw/zinc/13/37/74/417133774.db2.gz JYPQPLROTZNFPO-BPLDGKMQSA-N 1 2 319.409 0.382 10 0 DCAELO COC[C@@H]1C[N@H+](CC(=O)N2C[C@@H](C)O[C@@H](C)C2)CC(C)(C)O1 ZINC000408029431 417134712 /nfs/dbraw/zinc/13/47/12/417134712.db2.gz BUFJZTLULHAISY-MJBXVCDLSA-N 1 2 314.426 0.748 10 0 DCAELO COC[C@@H]1C[N@@H+](CC(=O)N2C[C@@H](C)O[C@@H](C)C2)CC(C)(C)O1 ZINC000408029431 417134719 /nfs/dbraw/zinc/13/47/19/417134719.db2.gz BUFJZTLULHAISY-MJBXVCDLSA-N 1 2 314.426 0.748 10 0 DCAELO C[C@@H]1C[C@@H](C(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)C[C@H](C)O1 ZINC000408078008 417139557 /nfs/dbraw/zinc/13/95/57/417139557.db2.gz FVGYPEVELQVNTL-CLLJXQQHSA-N 1 2 311.426 0.598 10 0 DCAELO CC(C)(C)[C@H]1C[N@H+](CC(=O)N2CCC[C@@H](C(N)=O)C2)CCO1 ZINC000408453360 417162927 /nfs/dbraw/zinc/16/29/27/417162927.db2.gz UCIIAZAPMMEKPD-CHWSQXEVSA-N 1 2 311.426 0.457 10 0 DCAELO CC(C)(C)[C@H]1C[N@@H+](CC(=O)N2CCC[C@@H](C(N)=O)C2)CCO1 ZINC000408453360 417162934 /nfs/dbraw/zinc/16/29/34/417162934.db2.gz UCIIAZAPMMEKPD-CHWSQXEVSA-N 1 2 311.426 0.457 10 0 DCAELO C[C@@H](COCc1ccccc1)NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638022077 417283957 /nfs/dbraw/zinc/28/39/57/417283957.db2.gz QJUHZOHJOSPJIU-KBPBESRZSA-N 1 2 319.405 0.528 10 0 DCAELO CCOC(=O)[C@@H]1C[N@H+](Cc2ncnn2CC(C)C)CC12COC2 ZINC000451127649 417300822 /nfs/dbraw/zinc/30/08/22/417300822.db2.gz AMQHVWNQJIAHTL-ZDUSSCGKSA-N 1 2 322.409 0.946 10 0 DCAELO CCOC(=O)[C@@H]1C[N@@H+](Cc2ncnn2CC(C)C)CC12COC2 ZINC000451127649 417300828 /nfs/dbraw/zinc/30/08/28/417300828.db2.gz AMQHVWNQJIAHTL-ZDUSSCGKSA-N 1 2 322.409 0.946 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCO[C@@H](CO)C1)C2 ZINC000530288614 417563291 /nfs/dbraw/zinc/56/32/91/417563291.db2.gz SPYOKNRWTBNULI-VXGBXAGGSA-N 1 2 307.394 0.858 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCO[C@@H](CO)C1)CC2 ZINC000530288614 417563294 /nfs/dbraw/zinc/56/32/94/417563294.db2.gz SPYOKNRWTBNULI-VXGBXAGGSA-N 1 2 307.394 0.858 10 0 DCAELO Cc1cnc(C)c(N2CC[NH+](CC(=O)N3CCOCC3)CC2)n1 ZINC000299262539 229014513 /nfs/dbraw/zinc/01/45/13/229014513.db2.gz LKIWNJBKSYCCKJ-UHFFFAOYSA-N 1 2 319.409 0.074 10 0 DCAELO C[C@H](CNC(=O)[C@@H](C)NC(=O)CC(C)(C)C)[NH+]1CCOCC1 ZINC000188194485 261126047 /nfs/dbraw/zinc/12/60/47/261126047.db2.gz JWWRIKQQFPBWRG-CHWSQXEVSA-N 1 2 313.442 0.764 10 0 DCAELO O=C(NCc1ccn2cc[nH+]c2c1)N1CCN2CCOC[C@@H]2C1 ZINC000363998694 262139165 /nfs/dbraw/zinc/13/91/65/262139165.db2.gz LMZUNCPJAQKNDA-AWEZNQCLSA-N 1 2 315.377 0.560 10 0 DCAELO COC(=O)[C@H](CC(C)C)[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000411141792 262164861 /nfs/dbraw/zinc/16/48/61/262164861.db2.gz JTEGFKBOQMKICK-LBPRGKRZSA-N 1 2 306.428 0.541 10 0 DCAELO COC(=O)[C@H](CC(C)C)[N@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000411141792 262164862 /nfs/dbraw/zinc/16/48/62/262164862.db2.gz JTEGFKBOQMKICK-LBPRGKRZSA-N 1 2 306.428 0.541 10 0 DCAELO COC(=O)[C@@H](C1CC1)[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000359596654 271129586 /nfs/dbraw/zinc/12/95/86/271129586.db2.gz MXRRYYHCLDRYHS-GFCCVEGCSA-N 1 2 304.412 0.294 10 0 DCAELO CC(=O)NCC[N@@H+](CC[C@@H](C)O)[C@H](C)C(=O)OC(C)(C)C ZINC000450716273 271880197 /nfs/dbraw/zinc/88/01/97/271880197.db2.gz YCHSGJGOEQOBGN-VXGBXAGGSA-N 1 2 302.415 0.926 10 0 DCAELO CC(=O)NCC[N@H+](CC[C@@H](C)O)[C@H](C)C(=O)OC(C)(C)C ZINC000450716273 271880199 /nfs/dbraw/zinc/88/01/99/271880199.db2.gz YCHSGJGOEQOBGN-VXGBXAGGSA-N 1 2 302.415 0.926 10 0 DCAELO COC(=O)C(C)(C)N1CCN([C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000494457192 272222304 /nfs/dbraw/zinc/22/23/04/272222304.db2.gz YSMZWKDFSYWFBE-AWEZNQCLSA-N 1 2 313.442 0.276 10 0 DCAELO C[C@@H]1C[N@@H+]([C@H]2CCc3ccccc3NC2=O)CCN1CCO ZINC000364588042 274359804 /nfs/dbraw/zinc/35/98/04/274359804.db2.gz OLMKZJCWGGOELO-CJNGLKHVSA-N 1 2 303.406 0.938 10 0 DCAELO C[C@@H]1C[N@H+]([C@H]2CCc3ccccc3NC2=O)CCN1CCO ZINC000364588042 274359806 /nfs/dbraw/zinc/35/98/06/274359806.db2.gz OLMKZJCWGGOELO-CJNGLKHVSA-N 1 2 303.406 0.938 10 0 DCAELO CN1CCOC[C@@H]1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000538829487 287885620 /nfs/dbraw/zinc/88/56/20/287885620.db2.gz SSVIAFFPUAQINC-MRXNPFEDSA-N 1 2 314.389 0.878 10 0 DCAELO CC(=O)N[C@@H](C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)C1CCCC1 ZINC000172766490 277038499 /nfs/dbraw/zinc/03/84/99/277038499.db2.gz XLFXZTXVESMUIK-JKSUJKDBSA-N 1 2 323.437 0.614 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccnc(C4CC4)n3)C[C@H]21 ZINC000328911004 277128997 /nfs/dbraw/zinc/12/89/97/277128997.db2.gz 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ZINC000366305691 526963094 /nfs/dbraw/zinc/96/30/94/526963094.db2.gz BLOFFASOKZXIRV-CYBMUJFWSA-N 1 2 302.378 0.164 10 0 DCAELO NC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CCc3ncccc3C2)C1 ZINC000366305691 526963097 /nfs/dbraw/zinc/96/30/97/526963097.db2.gz BLOFFASOKZXIRV-CYBMUJFWSA-N 1 2 302.378 0.164 10 0 DCAELO CCOCCNC(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC000276559659 528771449 /nfs/dbraw/zinc/77/14/49/528771449.db2.gz SLWWQFHAXDUWPD-CYBMUJFWSA-N 1 2 307.398 0.729 10 0 DCAELO CCOCCNC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000276559659 528771451 /nfs/dbraw/zinc/77/14/51/528771451.db2.gz SLWWQFHAXDUWPD-CYBMUJFWSA-N 1 2 307.398 0.729 10 0 DCAELO CC(=O)[C@@H]1C[C@H](C(=O)NC[C@@H](O)C[NH+]2CCOCC2)C1(C)C ZINC000127421956 545775755 /nfs/dbraw/zinc/77/57/55/545775755.db2.gz VPVCZYPMIIQAGO-HZSPNIEDSA-N 1 2 312.410 0.047 10 0 DCAELO COC(=O)[C@]1(O)CC[N@H+](C)C[C@@H]1NC(=O)OCc1ccccc1 ZINC000685960895 548749427 /nfs/dbraw/zinc/74/94/27/548749427.db2.gz GORRFJVOQULAER-BBRMVZONSA-N 1 2 322.361 0.521 10 0 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/nfs/dbraw/zinc/62/82/85/665628285.db2.gz OJEALPGAKSMLEE-UONOGXRCSA-N 1 2 312.410 0.897 10 0 DCAELO Cc1nc2c(c(N[C@H]3CCS(=O)(=O)C3)[nH+]1)NC(=O)[C@@H](C)N2 ZINC000224020622 664428447 /nfs/dbraw/zinc/42/84/47/664428447.db2.gz GCCYLPXTXGAWPW-SVRRBLITSA-N 1 2 311.367 0.137 10 0 DCAELO CC(C)C[C@@H]1NC(=O)N(CN2CC[C@H]([NH+]3CCOCC3)C2)C1=O ZINC000172961707 664626059 /nfs/dbraw/zinc/62/60/59/664626059.db2.gz GABZZYNUFKXXNF-KBPBESRZSA-N 1 2 324.425 0.317 10 0 DCAELO CC(C)C[C@@H]1NC(=O)N(C[N@@H+]2CC[C@H](N3CCOCC3)C2)C1=O ZINC000172961707 664626060 /nfs/dbraw/zinc/62/60/60/664626060.db2.gz GABZZYNUFKXXNF-KBPBESRZSA-N 1 2 324.425 0.317 10 0 DCAELO CC(C)C[C@@H]1NC(=O)N(C[N@H+]2CC[C@H](N3CCOCC3)C2)C1=O ZINC000172961707 664626061 /nfs/dbraw/zinc/62/60/61/664626061.db2.gz GABZZYNUFKXXNF-KBPBESRZSA-N 1 2 324.425 0.317 10 0 DCAELO Cn1nccc1CCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000186732131 666585924 /nfs/dbraw/zinc/58/59/24/666585924.db2.gz AGNWCWQMOREXPQ-CQSZACIVSA-N 1 2 307.398 0.079 10 0 DCAELO CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC000702830314 667001528 /nfs/dbraw/zinc/00/15/28/667001528.db2.gz JYQPVFVTQLXLMB-VXGBXAGGSA-N 1 2 324.381 0.227 10 0 DCAELO CO[C@H]1C[C@@H](CO)[N@H+](CCS(=O)(=O)C2CCCCC2)C1 ZINC000704088143 667178156 /nfs/dbraw/zinc/17/81/56/667178156.db2.gz XENCWFWTSXVPIO-STQMWFEESA-N 1 2 305.440 0.816 10 0 DCAELO CO[C@H]1C[C@@H](CO)[N@@H+](CCS(=O)(=O)C2CCCCC2)C1 ZINC000704088143 667178158 /nfs/dbraw/zinc/17/81/58/667178158.db2.gz XENCWFWTSXVPIO-STQMWFEESA-N 1 2 305.440 0.816 10 0 DCAELO CC[S@@](=O)CCNC(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000741074436 667758253 /nfs/dbraw/zinc/75/82/53/667758253.db2.gz MATRYJWVFDDZAT-PRWKNARSSA-N 1 2 301.412 0.950 10 0 DCAELO C[C@H](CNC(=O)N[C@H](C)c1nnnn1C1CC1)[NH+]1CCOCC1 ZINC000190979294 669960373 /nfs/dbraw/zinc/96/03/73/669960373.db2.gz ATDYIYYGLQAQQT-GHMZBOCLSA-N 1 2 323.401 0.089 10 0 DCAELO C[C@H](CNC(=O)NC[C@H](O)c1ccccc1)[NH+]1CCOCC1 ZINC000078432498 670030304 /nfs/dbraw/zinc/03/03/04/670030304.db2.gz AZCZUCOELNUGIT-HIFRSBDPSA-N 1 2 307.394 0.740 10 0 DCAELO C[C@H]1C[N@H+](CN2C(=O)C[C@@H](Cc3cnn(C)c3)C2=O)CCS1 ZINC000245426793 685156596 /nfs/dbraw/zinc/15/65/96/685156596.db2.gz LMRFDBGBKLFKPT-WCQYABFASA-N 1 2 322.434 0.733 10 0 DCAELO C[C@H]1C[N@@H+](CN2C(=O)C[C@@H](Cc3cnn(C)c3)C2=O)CCS1 ZINC000245426793 685156599 /nfs/dbraw/zinc/15/65/99/685156599.db2.gz LMRFDBGBKLFKPT-WCQYABFASA-N 1 2 322.434 0.733 10 0 DCAELO CCNS(=O)(=O)[C@H]1CC[N@H+](CC(=O)NC(C)(C)CC)C1 ZINC000092843541 185345649 /nfs/dbraw/zinc/34/56/49/185345649.db2.gz CXPJJQIUFRTOCE-NSHDSACASA-N 1 2 305.444 0.305 10 0 DCAELO CCNS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)NC(C)(C)CC)C1 ZINC000092843541 185345650 /nfs/dbraw/zinc/34/56/50/185345650.db2.gz CXPJJQIUFRTOCE-NSHDSACASA-N 1 2 305.444 0.305 10 0 DCAELO C[C@H]1CN(C(=O)C(=O)Nc2ccsc2)C[C@H]1[NH+]1CCOCC1 ZINC000180259377 199138317 /nfs/dbraw/zinc/13/83/17/199138317.db2.gz WBNBBCLFAYMXIM-WCQYABFASA-N 1 2 323.418 0.866 10 0 DCAELO Cc1noc(CCNC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)n1 ZINC000105221676 545732522 /nfs/dbraw/zinc/73/25/22/545732522.db2.gz GETDOWFQARKTBF-WDEREUQCSA-N 1 2 311.386 0.329 10 0 DCAELO [NH3+]CC(F)(F)CNS(=O)(=O)c1cc(F)c(F)cc1F ZINC000186995284 200045009 /nfs/dbraw/zinc/04/50/09/200045009.db2.gz VBEVDXBEOGSFKK-UHFFFAOYSA-N 1 2 304.240 0.976 10 0 DCAELO C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)CC[N@@H+]1CCO ZINC000188730511 200296223 /nfs/dbraw/zinc/29/62/23/200296223.db2.gz QXZXQOQLFQRUIY-NSHDSACASA-N 1 2 302.371 0.513 10 0 DCAELO C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)CC[N@H+]1CCO ZINC000188730511 200296224 /nfs/dbraw/zinc/29/62/24/200296224.db2.gz QXZXQOQLFQRUIY-NSHDSACASA-N 1 2 302.371 0.513 10 0 DCAELO CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C)[nH+]c2C)C1 ZINC000154849556 291216251 /nfs/dbraw/zinc/21/62/51/291216251.db2.gz UZIQVPWELNOLAP-CYBMUJFWSA-N 1 2 318.377 0.764 10 0 DCAELO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000246694386 238160287 /nfs/dbraw/zinc/16/02/87/238160287.db2.gz ZTAVCLVCLPIMAN-ITGHMWBKSA-N 1 2 311.426 0.454 10 0 DCAELO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000246694386 238160289 /nfs/dbraw/zinc/16/02/89/238160289.db2.gz ZTAVCLVCLPIMAN-ITGHMWBKSA-N 1 2 311.426 0.454 10 0 DCAELO Cc1ccc(F)cc1C(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000276564004 238325734 /nfs/dbraw/zinc/32/57/34/238325734.db2.gz SSNUSAGSDUNBEL-ZDUSSCGKSA-N 1 2 323.368 0.392 10 0 DCAELO Cc1ccc(F)cc1C(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000276564004 238325737 /nfs/dbraw/zinc/32/57/37/238325737.db2.gz SSNUSAGSDUNBEL-ZDUSSCGKSA-N 1 2 323.368 0.392 10 0 DCAELO Cn1cnnc1C[NH+]1CCC2(CCC(=O)N(CCCO)C2)CC1 ZINC000091619842 193079961 /nfs/dbraw/zinc/07/99/61/193079961.db2.gz JIINVRMGUJNQBU-UHFFFAOYSA-N 1 2 321.425 0.402 10 0 DCAELO COCCN1CC[N@H+](C[C@H](O)COCc2ccccc2)CC1=O ZINC000091813386 193111637 /nfs/dbraw/zinc/11/16/37/193111637.db2.gz FHRYULKXSBFZFE-INIZCTEOSA-N 1 2 322.405 0.355 10 0 DCAELO COCCN1CC[N@@H+](C[C@H](O)COCc2ccccc2)CC1=O ZINC000091813386 193111639 /nfs/dbraw/zinc/11/16/39/193111639.db2.gz FHRYULKXSBFZFE-INIZCTEOSA-N 1 2 322.405 0.355 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000104799651 194041525 /nfs/dbraw/zinc/04/15/25/194041525.db2.gz JQOQVRYPQSZPND-INIZCTEOSA-N 1 2 318.421 0.849 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000104799651 194041527 /nfs/dbraw/zinc/04/15/27/194041527.db2.gz JQOQVRYPQSZPND-INIZCTEOSA-N 1 2 318.421 0.849 10 0 DCAELO C[C@H](C(=O)N(C)C)[NH+]1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105911772 194167773 /nfs/dbraw/zinc/16/77/73/194167773.db2.gz KJSFVWFULJZJLF-GDBMZVCRSA-N 1 2 305.422 0.814 10 0 DCAELO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCS[C@@H](C)C1 ZINC000106583993 194234207 /nfs/dbraw/zinc/23/42/07/194234207.db2.gz JJRLMAJHBNAVNM-STQMWFEESA-N 1 2 300.472 0.769 10 0 DCAELO C[C@@H]1CCCCN1S(=O)(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000408367791 296316284 /nfs/dbraw/zinc/31/62/84/296316284.db2.gz XUZPLENUASOOAL-CHWSQXEVSA-N 1 2 305.444 0.104 10 0 DCAELO C[C@@H]1CCCCN1S(=O)(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000408367791 296316285 /nfs/dbraw/zinc/31/62/85/296316285.db2.gz XUZPLENUASOOAL-CHWSQXEVSA-N 1 2 305.444 0.104 10 0 DCAELO Cc1cccc(NC(=O)C(=O)NC[C@@H]2C[NH+]3CCN2CC3)c1C ZINC000178957216 252610537 /nfs/dbraw/zinc/61/05/37/252610537.db2.gz OGIZTTZGOCCYSS-CQSZACIVSA-N 1 2 316.405 0.358 10 0 DCAELO COCc1ccc(CNC(=O)C[N@@H+]2C[C@@H](F)C[C@H]2CO)cc1 ZINC000346396401 254046196 /nfs/dbraw/zinc/04/61/96/254046196.db2.gz IDMOMAKMBHNDAF-GJZGRUSLSA-N 1 2 310.369 0.854 10 0 DCAELO COCc1ccc(CNC(=O)C[N@H+]2C[C@@H](F)C[C@H]2CO)cc1 ZINC000346396401 254046198 /nfs/dbraw/zinc/04/61/98/254046198.db2.gz IDMOMAKMBHNDAF-GJZGRUSLSA-N 1 2 310.369 0.854 10 0 DCAELO CN1C(=O)NC2(CCN(c3cc[nH+]c(C4CC4)n3)CC2)C1=O ZINC000271580159 209028602 /nfs/dbraw/zinc/02/86/02/209028602.db2.gz BTMVYUBJOFEGGT-UHFFFAOYSA-N 1 2 301.350 0.875 10 0 DCAELO CNC(=O)CN1CCO[C@@H]2C[N@H+](Cc3ccccc3F)C[C@@H]21 ZINC000247952006 257114242 /nfs/dbraw/zinc/11/42/42/257114242.db2.gz MMDWOQRXJGEFBD-LSDHHAIUSA-N 1 2 307.369 0.457 10 0 DCAELO CNC(=O)CN1CCO[C@@H]2C[N@@H+](Cc3ccccc3F)C[C@@H]21 ZINC000247952006 257114244 /nfs/dbraw/zinc/11/42/44/257114244.db2.gz MMDWOQRXJGEFBD-LSDHHAIUSA-N 1 2 307.369 0.457 10 0 DCAELO CS(=O)(=O)NC[C@@H]1Cn2nccc2C[N@H+](Cc2ccco2)C1 ZINC000247520194 257119453 /nfs/dbraw/zinc/11/94/53/257119453.db2.gz LGPWRRPVRSYYRR-LBPRGKRZSA-N 1 2 324.406 0.657 10 0 DCAELO CS(=O)(=O)NC[C@@H]1Cn2nccc2C[N@@H+](Cc2ccco2)C1 ZINC000247520194 257119455 /nfs/dbraw/zinc/11/94/55/257119455.db2.gz LGPWRRPVRSYYRR-LBPRGKRZSA-N 1 2 324.406 0.657 10 0 DCAELO C[C@@H]1OCC[C@@H]1NC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000275569590 130339345 /nfs/dbraw/zinc/33/93/45/130339345.db2.gz ISUPUWWTSILEOR-RWMBFGLXSA-N 1 2 307.398 0.596 10 0 DCAELO Cn1cc[nH+]c1[C@H]1CN(C(=O)Nc2cnns2)CCN1C ZINC000277294946 130599171 /nfs/dbraw/zinc/59/91/71/130599171.db2.gz SVHNVIZQUUGPLI-SECBINFHSA-N 1 2 307.383 0.792 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCCc3ccccn3)C[C@@H]21 ZINC000283936184 131034832 /nfs/dbraw/zinc/03/48/32/131034832.db2.gz JLNQLGJKBJEDKX-LSDHHAIUSA-N 1 2 304.394 0.739 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCCc3ccccn3)C[C@@H]21 ZINC000283936184 131034834 /nfs/dbraw/zinc/03/48/34/131034834.db2.gz JLNQLGJKBJEDKX-LSDHHAIUSA-N 1 2 304.394 0.739 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)Nc3cccc(C(N)=O)c3)C[C@H]21 ZINC000285381655 131162720 /nfs/dbraw/zinc/16/27/20/131162720.db2.gz XVGXREBZUBMODY-KGLIPLIRSA-N 1 2 318.377 0.722 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3cccc(C(N)=O)c3)C[C@H]21 ZINC000285381655 131162722 /nfs/dbraw/zinc/16/27/22/131162722.db2.gz XVGXREBZUBMODY-KGLIPLIRSA-N 1 2 318.377 0.722 10 0 DCAELO Cc1nn(C)c(C)c1CNC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000285554174 131180038 /nfs/dbraw/zinc/18/00/38/131180038.db2.gz VHEZRVROBOYNCA-HUUCEWRRSA-N 1 2 321.425 0.651 10 0 DCAELO Cc1nn(C)c(C)c1CNC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000285554174 131180040 /nfs/dbraw/zinc/18/00/40/131180040.db2.gz VHEZRVROBOYNCA-HUUCEWRRSA-N 1 2 321.425 0.651 10 0 DCAELO C[C@H]1CN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H](C)O1 ZINC000015255234 395689968 /nfs/dbraw/zinc/68/99/68/395689968.db2.gz VPYWHPHCNVOGHB-KBPBESRZSA-N 1 2 313.442 0.323 10 0 DCAELO Cc1ccc(CC(=O)NC[C@H](O)C[NH+]2CCOCC2)cc1O ZINC000089435934 395711781 /nfs/dbraw/zinc/71/17/81/395711781.db2.gz CHEFVAWMNGZIKL-AWEZNQCLSA-N 1 2 308.378 0.052 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(N3CCNC3=O)cc2)C1 ZINC000194724774 395805677 /nfs/dbraw/zinc/80/56/77/395805677.db2.gz QGYGCYSCWLCAAK-AWEZNQCLSA-N 1 2 318.377 0.277 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(N3CCNC3=O)cc2)C1 ZINC000194724774 395805680 /nfs/dbraw/zinc/80/56/80/395805680.db2.gz QGYGCYSCWLCAAK-AWEZNQCLSA-N 1 2 318.377 0.277 10 0 DCAELO Cc1cnn(CCNC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)c1 ZINC000118072537 395858311 /nfs/dbraw/zinc/85/83/11/395858311.db2.gz ADJGKRHGWFYNCP-KGLIPLIRSA-N 1 2 309.414 0.600 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000194725679 395806086 /nfs/dbraw/zinc/80/60/86/395806086.db2.gz ZDCJEVCZLPJLMR-HNNXBMFYSA-N 1 2 317.389 0.874 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000194725679 395806088 /nfs/dbraw/zinc/80/60/88/395806088.db2.gz ZDCJEVCZLPJLMR-HNNXBMFYSA-N 1 2 317.389 0.874 10 0 DCAELO COc1ccc(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)c(O)c1 ZINC000115164899 395838327 /nfs/dbraw/zinc/83/83/27/395838327.db2.gz KALOEOBWXRPHPO-ZDUSSCGKSA-N 1 2 306.362 0.994 10 0 DCAELO COc1ccc(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)c(O)c1 ZINC000115164899 395838328 /nfs/dbraw/zinc/83/83/28/395838328.db2.gz KALOEOBWXRPHPO-ZDUSSCGKSA-N 1 2 306.362 0.994 10 0 DCAELO Cc1nn(C)c(C)c1C[NH+]1CCN([C@H]2CCN(C)C2=O)CC1 ZINC000116278251 395843045 /nfs/dbraw/zinc/84/30/45/395843045.db2.gz FLMCANQKJWVFJL-HNNXBMFYSA-N 1 2 305.426 0.385 10 0 DCAELO Cc1nn(C)c(C)c1CN1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000116278251 395843050 /nfs/dbraw/zinc/84/30/50/395843050.db2.gz FLMCANQKJWVFJL-HNNXBMFYSA-N 1 2 305.426 0.385 10 0 DCAELO C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116891770 395848681 /nfs/dbraw/zinc/84/86/81/395848681.db2.gz XCOFYXSKEJDSLY-AAEUAGOBSA-N 1 2 311.407 0.637 10 0 DCAELO C[C@@H](C(=O)Nc1ccccc1)[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116891770 395848683 /nfs/dbraw/zinc/84/86/83/395848683.db2.gz XCOFYXSKEJDSLY-AAEUAGOBSA-N 1 2 311.407 0.637 10 0 DCAELO C[C@H](C(=O)Nc1ccccc1)[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116891773 395849038 /nfs/dbraw/zinc/84/90/38/395849038.db2.gz XCOFYXSKEJDSLY-YPMHNXCESA-N 1 2 311.407 0.637 10 0 DCAELO C[C@H](C(=O)Nc1ccccc1)[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116891773 395849040 /nfs/dbraw/zinc/84/90/40/395849040.db2.gz XCOFYXSKEJDSLY-YPMHNXCESA-N 1 2 311.407 0.637 10 0 DCAELO COc1ccccc1OCCC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000194632802 395802193 /nfs/dbraw/zinc/80/21/93/395802193.db2.gz ONCJXUPZHJMYAO-CYBMUJFWSA-N 1 2 308.378 0.911 10 0 DCAELO COc1ccccc1OCCC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000194632802 395802195 /nfs/dbraw/zinc/80/21/95/395802195.db2.gz ONCJXUPZHJMYAO-CYBMUJFWSA-N 1 2 308.378 0.911 10 0 DCAELO CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)Nc2nnn(C)n2)cc1 ZINC000127384084 395914804 /nfs/dbraw/zinc/91/48/04/395914804.db2.gz MORLTPZCRAPYOK-VIFPVBQESA-N 1 2 310.383 0.681 10 0 DCAELO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(C(N)=O)nc1 ZINC000119082120 395866826 /nfs/dbraw/zinc/86/68/26/395866826.db2.gz AAXIOTNKKKJWCG-UHFFFAOYSA-N 1 2 302.338 0.931 10 0 DCAELO COc1cccc([C@@H](O)C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000119562673 395872504 /nfs/dbraw/zinc/87/25/04/395872504.db2.gz SQBNCUCQKWCIKK-GDBMZVCRSA-N 1 2 320.389 0.662 10 0 DCAELO Cc1noc(CCNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000119743668 395875285 /nfs/dbraw/zinc/87/52/85/395875285.db2.gz VDKABMBXWWFZGG-LBPRGKRZSA-N 1 2 316.365 0.894 10 0 DCAELO CC[N@@H+]1CCO[C@H](CNS(=O)(=O)c2ccc(F)cc2)C1 ZINC000134702060 395934300 /nfs/dbraw/zinc/93/43/00/395934300.db2.gz WHMPXOXLXUEHJA-GFCCVEGCSA-N 1 2 302.371 0.825 10 0 DCAELO CC[N@H+]1CCO[C@H](CNS(=O)(=O)c2ccc(F)cc2)C1 ZINC000134702060 395934304 /nfs/dbraw/zinc/93/43/04/395934304.db2.gz WHMPXOXLXUEHJA-GFCCVEGCSA-N 1 2 302.371 0.825 10 0 DCAELO CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@](O)(C(N)=O)C2)cc1 ZINC000276456173 395998964 /nfs/dbraw/zinc/99/89/64/395998964.db2.gz NUHQUORKTORYEJ-QFYYESIMSA-N 1 2 319.361 0.138 10 0 DCAELO CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@](O)(C(N)=O)C2)cc1 ZINC000276456173 395998968 /nfs/dbraw/zinc/99/89/68/395998968.db2.gz NUHQUORKTORYEJ-QFYYESIMSA-N 1 2 319.361 0.138 10 0 DCAELO CCCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247100848 395966433 /nfs/dbraw/zinc/96/64/33/395966433.db2.gz MOEHHGAYBMZVMI-VXGBXAGGSA-N 1 2 305.444 0.305 10 0 DCAELO CCCCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247100848 395966436 /nfs/dbraw/zinc/96/64/36/395966436.db2.gz MOEHHGAYBMZVMI-VXGBXAGGSA-N 1 2 305.444 0.305 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)Nc2cccnc2-n2cncn2)C1 ZINC000150801256 395973607 /nfs/dbraw/zinc/97/36/07/395973607.db2.gz QWVKSCUHQUXWGD-NSHDSACASA-N 1 2 317.353 0.114 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)Nc2cccnc2-n2cncn2)C1 ZINC000150801256 395973610 /nfs/dbraw/zinc/97/36/10/395973610.db2.gz QWVKSCUHQUXWGD-NSHDSACASA-N 1 2 317.353 0.114 10 0 DCAELO O=c1nc(C[N@H+]2C[C@H](O)C[C@H]2CO)[nH]c2sc3c(c21)CCC3 ZINC000253555790 396030211 /nfs/dbraw/zinc/03/02/11/396030211.db2.gz CGNXZEAFTBSPLQ-DTWKUNHWSA-N 1 2 321.402 0.813 10 0 DCAELO O=c1nc(C[N@@H+]2C[C@H](O)C[C@H]2CO)[nH]c2sc3c(c21)CCC3 ZINC000253555790 396030214 /nfs/dbraw/zinc/03/02/14/396030214.db2.gz CGNXZEAFTBSPLQ-DTWKUNHWSA-N 1 2 321.402 0.813 10 0 DCAELO CN1C[C@@H](NC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)CCC1=O ZINC000158048449 396064589 /nfs/dbraw/zinc/06/45/89/396064589.db2.gz LEMJVPBMYAGNFC-JSGCOSHPSA-N 1 2 318.377 0.865 10 0 DCAELO Cn1ncc2c1nc(N1CCC[C@H]1C(=O)NC1CC1)[nH+]c2N ZINC000276501975 396004206 /nfs/dbraw/zinc/00/42/06/396004206.db2.gz RMPRGILXBSTYJD-JTQLQIEISA-N 1 2 301.354 0.193 10 0 DCAELO C[C@H](CNC(=O)NC[C@H](O)C1CCCCC1)[NH+]1CCOCC1 ZINC000170839121 396098641 /nfs/dbraw/zinc/09/86/41/396098641.db2.gz WHQSZWURVBKIFN-HIFRSBDPSA-N 1 2 313.442 0.948 10 0 DCAELO COCc1cccc(S(=O)(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000171107159 396107193 /nfs/dbraw/zinc/10/71/93/396107193.db2.gz BOVZTLQJIQJCTB-CYBMUJFWSA-N 1 2 314.407 0.442 10 0 DCAELO COCc1cccc(S(=O)(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000171107159 396107196 /nfs/dbraw/zinc/10/71/96/396107196.db2.gz BOVZTLQJIQJCTB-CYBMUJFWSA-N 1 2 314.407 0.442 10 0 DCAELO Cc1ccc(-n2cc(C(=O)NC[C@@H]3C[N@H+](C)CCO3)nn2)cc1 ZINC000171287567 396112820 /nfs/dbraw/zinc/11/28/20/396112820.db2.gz UDYUHSYHKYFDAY-CQSZACIVSA-N 1 2 315.377 0.636 10 0 DCAELO Cc1ccc(-n2cc(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)nn2)cc1 ZINC000171287567 396112823 /nfs/dbraw/zinc/11/28/23/396112823.db2.gz UDYUHSYHKYFDAY-CQSZACIVSA-N 1 2 315.377 0.636 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)NCc2ccc(CO)c(F)c2)C1 ZINC000171673354 396122919 /nfs/dbraw/zinc/12/29/19/396122919.db2.gz HNPCYSAZLMEXHZ-ZDUSSCGKSA-N 1 2 311.357 0.448 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)NCc2ccc(CO)c(F)c2)C1 ZINC000171673354 396122923 /nfs/dbraw/zinc/12/29/23/396122923.db2.gz HNPCYSAZLMEXHZ-ZDUSSCGKSA-N 1 2 311.357 0.448 10 0 DCAELO CN(C)C(=O)COc1cccc(NC(=O)[C@@H]2COCC[NH2+]2)c1 ZINC000262599031 396160562 /nfs/dbraw/zinc/16/05/62/396160562.db2.gz AXBCORZFEQCQND-ZDUSSCGKSA-N 1 2 307.350 0.081 10 0 DCAELO Cc1cc(NC(=O)CN2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)no1 ZINC000177280281 396171336 /nfs/dbraw/zinc/17/13/36/396171336.db2.gz LBARWBOSHIPJTA-WCQYABFASA-N 1 2 308.382 0.574 10 0 DCAELO Cc1cc(NC(=O)C[N@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)no1 ZINC000177280281 396171338 /nfs/dbraw/zinc/17/13/38/396171338.db2.gz LBARWBOSHIPJTA-WCQYABFASA-N 1 2 308.382 0.574 10 0 DCAELO Cc1cc(NC(=O)C[N@@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)no1 ZINC000177280281 396171340 /nfs/dbraw/zinc/17/13/40/396171340.db2.gz LBARWBOSHIPJTA-WCQYABFASA-N 1 2 308.382 0.574 10 0 DCAELO C[C@@H]1CN(C(=O)NCCn2ccnc2)C[C@H]1[NH+]1CCOCC1 ZINC000177298151 396171390 /nfs/dbraw/zinc/17/13/90/396171390.db2.gz GDWCVBQZKYKCBH-ZIAGYGMSSA-N 1 2 307.398 0.245 10 0 DCAELO O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCN(Cc2cccnc2)CC1 ZINC000262910411 396191546 /nfs/dbraw/zinc/19/15/46/396191546.db2.gz FRGQZCAEQYXXLQ-CYBMUJFWSA-N 1 2 310.348 0.723 10 0 DCAELO O=C(NCCN1C(=O)c2ccccc2C1=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263036905 396199434 /nfs/dbraw/zinc/19/94/34/396199434.db2.gz SKKIJFQRPHWOQZ-NSHDSACASA-N 1 2 323.299 0.396 10 0 DCAELO C[C@@H](NC(=O)[C@@H]1CC(F)(F)C[NH2+]1)C(=O)NCc1ccccc1 ZINC000263069110 396199762 /nfs/dbraw/zinc/19/97/62/396199762.db2.gz WIHQXEQWPKGHRY-PWSUYJOCSA-N 1 2 311.332 0.805 10 0 DCAELO COc1cc(-c2noc(C[N@@H+]3C[C@H](O)C[C@@H]3CO)n2)ccc1C ZINC000185135643 396318259 /nfs/dbraw/zinc/31/82/59/396318259.db2.gz YVTSQNIZNBRUNE-CHWSQXEVSA-N 1 2 319.361 0.981 10 0 DCAELO COc1cc(-c2noc(C[N@H+]3C[C@H](O)C[C@@H]3CO)n2)ccc1C ZINC000185135643 396318263 /nfs/dbraw/zinc/31/82/63/396318263.db2.gz YVTSQNIZNBRUNE-CHWSQXEVSA-N 1 2 319.361 0.981 10 0 DCAELO CCN(CC)C(=O)C[NH+]1CCN(C[C@H](O)C(F)(F)F)CC1 ZINC000185161710 396320098 /nfs/dbraw/zinc/32/00/98/396320098.db2.gz AFHUYQLLIWGVDT-NSHDSACASA-N 1 2 311.348 0.396 10 0 DCAELO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000184717056 396302450 /nfs/dbraw/zinc/30/24/50/396302450.db2.gz XXEGBOBJSTVIKE-FBIMIBRVSA-N 1 2 300.305 0.719 10 0 DCAELO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000184717056 396302454 /nfs/dbraw/zinc/30/24/54/396302454.db2.gz XXEGBOBJSTVIKE-FBIMIBRVSA-N 1 2 300.305 0.719 10 0 DCAELO CC(C)C[C@@H](CO)N(C)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000185389784 396326978 /nfs/dbraw/zinc/32/69/78/396326978.db2.gz SMFPANTXDKNKON-CABCVRRESA-N 1 2 314.474 0.671 10 0 DCAELO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000265708563 396338465 /nfs/dbraw/zinc/33/84/65/396338465.db2.gz VBYLUFUUFGEOFS-WDEREUQCSA-N 1 2 300.384 0.100 10 0 DCAELO NC(=O)[C@@]1(O)CCC[N@H+](Cc2ccc(Br)cn2)C1 ZINC000284769090 396346145 /nfs/dbraw/zinc/34/61/45/396346145.db2.gz GYLUILCAJLXECD-GFCCVEGCSA-N 1 2 314.183 0.656 10 0 DCAELO NC(=O)[C@@]1(O)CCC[N@@H+](Cc2ccc(Br)cn2)C1 ZINC000284769090 396346147 /nfs/dbraw/zinc/34/61/47/396346147.db2.gz GYLUILCAJLXECD-GFCCVEGCSA-N 1 2 314.183 0.656 10 0 DCAELO CCN(C[C@H](O)C(F)(F)F)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000187019618 396361582 /nfs/dbraw/zinc/36/15/82/396361582.db2.gz BGUVMROFKUZDBJ-UWVGGRQHSA-N 1 2 313.320 0.272 10 0 DCAELO CCN(C[C@H](O)C(F)(F)F)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000187019618 396361585 /nfs/dbraw/zinc/36/15/85/396361585.db2.gz BGUVMROFKUZDBJ-UWVGGRQHSA-N 1 2 313.320 0.272 10 0 DCAELO O=C1CCc2ccc(OC[C@@H](O)C[NH+]3CCOCC3)cc2N1 ZINC000187354482 396368013 /nfs/dbraw/zinc/36/80/13/396368013.db2.gz FFQGJGUDFRJCFA-ZDUSSCGKSA-N 1 2 306.362 0.643 10 0 DCAELO COc1ccc(F)c(C(=O)NC[C@@H]2C[N@H+](C)CCO2)c1OC ZINC000188341525 396381953 /nfs/dbraw/zinc/38/19/53/396381953.db2.gz VTSIRGXUFRGJHA-SNVBAGLBSA-N 1 2 312.341 0.903 10 0 DCAELO COc1ccc(F)c(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1OC ZINC000188341525 396381957 /nfs/dbraw/zinc/38/19/57/396381957.db2.gz VTSIRGXUFRGJHA-SNVBAGLBSA-N 1 2 312.341 0.903 10 0 DCAELO COc1cccc(CNC(=O)C[N@@H+]2CCCNC(=O)[C@H]2C)c1 ZINC000189292001 396392576 /nfs/dbraw/zinc/39/25/76/396392576.db2.gz ISUFVAXYURQQJC-GFCCVEGCSA-N 1 2 305.378 0.522 10 0 DCAELO COc1cccc(CNC(=O)C[N@H+]2CCCNC(=O)[C@H]2C)c1 ZINC000189292001 396392579 /nfs/dbraw/zinc/39/25/79/396392579.db2.gz ISUFVAXYURQQJC-GFCCVEGCSA-N 1 2 305.378 0.522 10 0 DCAELO CN1CCC[N@H+](CCc2nc3ccccc3c(=O)[nH]2)CC1=O ZINC000191113684 396415991 /nfs/dbraw/zinc/41/59/91/396415991.db2.gz IDLAZTNKLNPXQB-UHFFFAOYSA-N 1 2 300.362 0.630 10 0 DCAELO CN1CCC[N@@H+](CCc2nc3ccccc3c(=O)[nH]2)CC1=O ZINC000191113684 396415993 /nfs/dbraw/zinc/41/59/93/396415993.db2.gz IDLAZTNKLNPXQB-UHFFFAOYSA-N 1 2 300.362 0.630 10 0 DCAELO CN1CCC[N@H+](CC(=O)N2CCc3sccc3C2)CC1=O ZINC000191128278 396416051 /nfs/dbraw/zinc/41/60/51/396416051.db2.gz SLQMXFQMKLNJOA-UHFFFAOYSA-N 1 2 307.419 0.797 10 0 DCAELO CN1CCC[N@@H+](CC(=O)N2CCc3sccc3C2)CC1=O ZINC000191128278 396416054 /nfs/dbraw/zinc/41/60/54/396416054.db2.gz SLQMXFQMKLNJOA-UHFFFAOYSA-N 1 2 307.419 0.797 10 0 DCAELO CC(=O)CC(C)(C)CC(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000191728922 396423843 /nfs/dbraw/zinc/42/38/43/396423843.db2.gz KVVRPDIMWFFKSR-CYBMUJFWSA-N 1 2 300.399 0.191 10 0 DCAELO C[C@@H](NC(N)=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000193200235 396445531 /nfs/dbraw/zinc/44/55/31/396445531.db2.gz HPLXMRPBTPHGLP-GFCCVEGCSA-N 1 2 320.393 0.192 10 0 DCAELO O=C(CN1CCCCC1=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000193018482 396442100 /nfs/dbraw/zinc/44/21/00/396442100.db2.gz IFVBQYLWUWUXAL-UHFFFAOYSA-N 1 2 313.361 0.896 10 0 DCAELO Cc1noc(C2CN(C(=O)[C@@H]3COCC[N@@H+]3CC3CCC3)C2)n1 ZINC000373085944 396564662 /nfs/dbraw/zinc/56/46/62/396564662.db2.gz HFRLWIRSWUDYAX-AWEZNQCLSA-N 1 2 320.393 0.805 10 0 DCAELO Cc1noc(C2CN(C(=O)[C@@H]3COCC[N@H+]3CC3CCC3)C2)n1 ZINC000373085944 396564664 /nfs/dbraw/zinc/56/46/64/396564664.db2.gz HFRLWIRSWUDYAX-AWEZNQCLSA-N 1 2 320.393 0.805 10 0 DCAELO CNC(=O)c1cccnc1N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000301413238 396716515 /nfs/dbraw/zinc/71/65/15/396716515.db2.gz ZJEMELNUVGBHPO-UHFFFAOYSA-N 1 2 314.393 0.497 10 0 DCAELO CN1CCN(c2cc(NCC[C@H]3CCCO3)[nH+]cn2)CC1=O ZINC000302221073 396718008 /nfs/dbraw/zinc/71/80/08/396718008.db2.gz NMMUKHNDNVHBBG-GFCCVEGCSA-N 1 2 305.382 0.736 10 0 DCAELO CN1CCN(c2cc(NCC[C@H]3CCCO3)nc[nH+]2)CC1=O ZINC000302221073 396718010 /nfs/dbraw/zinc/71/80/10/396718010.db2.gz NMMUKHNDNVHBBG-GFCCVEGCSA-N 1 2 305.382 0.736 10 0 DCAELO COc1cccc(NC(=O)C[N@@H+]2CCN3CCOC[C@H]3C2)c1 ZINC000375242818 396721222 /nfs/dbraw/zinc/72/12/22/396721222.db2.gz QWWRSSKDKRXFQJ-CQSZACIVSA-N 1 2 305.378 0.650 10 0 DCAELO COc1cccc(NC(=O)C[N@H+]2CCN3CCOC[C@H]3C2)c1 ZINC000375242818 396721224 /nfs/dbraw/zinc/72/12/24/396721224.db2.gz QWWRSSKDKRXFQJ-CQSZACIVSA-N 1 2 305.378 0.650 10 0 DCAELO CN(C[C@H]1C[N@H+](C)CCO1)C(=O)Cc1cnn2c1CCCC2 ZINC000633916131 396744122 /nfs/dbraw/zinc/74/41/22/396744122.db2.gz OYRIFBIZYDKIQT-CQSZACIVSA-N 1 2 306.410 0.551 10 0 DCAELO CN(C[C@H]1C[N@@H+](C)CCO1)C(=O)Cc1cnn2c1CCCC2 ZINC000633916131 396744128 /nfs/dbraw/zinc/74/41/28/396744128.db2.gz OYRIFBIZYDKIQT-CQSZACIVSA-N 1 2 306.410 0.551 10 0 DCAELO CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)Cc1nc(C2CC2)nn1C ZINC000633918623 396746940 /nfs/dbraw/zinc/74/69/40/396746940.db2.gz QIDCPGZSAVBQRQ-LBPRGKRZSA-N 1 2 307.398 0.024 10 0 DCAELO CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)Cc1nc(C2CC2)nn1C ZINC000633918623 396746944 /nfs/dbraw/zinc/74/69/44/396746944.db2.gz QIDCPGZSAVBQRQ-LBPRGKRZSA-N 1 2 307.398 0.024 10 0 DCAELO Cc1nc(S(=O)(=O)N2CCN(C)[C@@H](c3[nH]cc[nH+]3)C2)cn1C ZINC000328626787 396824806 /nfs/dbraw/zinc/82/48/06/396824806.db2.gz MCVDUPRQSJZABU-LLVKDONJSA-N 1 2 324.410 0.129 10 0 DCAELO COC(=O)[C@@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)C1CC1 ZINC000611614002 396894553 /nfs/dbraw/zinc/89/45/53/396894553.db2.gz AAFNRHBDRCDBHE-DOMZBBRYSA-N 1 2 317.389 0.905 10 0 DCAELO CO[C@@H]([C@H](C)NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1)C1CC1 ZINC000333650368 396929591 /nfs/dbraw/zinc/92/95/91/396929591.db2.gz KIOQLQVOFYZBOO-ATGSNQNLSA-N 1 2 311.426 0.914 10 0 DCAELO CO[C@@H]([C@H](C)NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1)C1CC1 ZINC000333650368 396929596 /nfs/dbraw/zinc/92/95/96/396929596.db2.gz KIOQLQVOFYZBOO-ATGSNQNLSA-N 1 2 311.426 0.914 10 0 DCAELO O=C(NCCCN1CCCS1(=O)=O)c1ccc2[nH+]ccn2c1 ZINC000597733769 397078596 /nfs/dbraw/zinc/07/85/96/397078596.db2.gz WRGZFHIJVJPVHO-UHFFFAOYSA-N 1 2 322.390 0.490 10 0 DCAELO CN1CCN(c2cc(N3CC[C@@](O)(C4CC4)C3)[nH+]cn2)CC1=O ZINC000377468219 397085424 /nfs/dbraw/zinc/08/54/24/397085424.db2.gz MUICIIKPKRKGIE-INIZCTEOSA-N 1 2 317.393 0.106 10 0 DCAELO CN1CCN(c2cc(N3CC[C@@](O)(C4CC4)C3)nc[nH+]2)CC1=O ZINC000377468219 397085430 /nfs/dbraw/zinc/08/54/30/397085430.db2.gz MUICIIKPKRKGIE-INIZCTEOSA-N 1 2 317.393 0.106 10 0 DCAELO CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCO[C@H](CCF)C2)CC1 ZINC000626001696 397051451 /nfs/dbraw/zinc/05/14/51/397051451.db2.gz WTIWLYNQLXMZGT-GXTWGEPZSA-N 1 2 315.389 0.126 10 0 DCAELO CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCO[C@H](CCF)C2)CC1 ZINC000626001696 397051457 /nfs/dbraw/zinc/05/14/57/397051457.db2.gz WTIWLYNQLXMZGT-GXTWGEPZSA-N 1 2 315.389 0.126 10 0 DCAELO Cc1cc(C)c(C(=O)N2CCO[C@H](C[NH+]3CCN(C)CC3)C2)o1 ZINC000378003897 397178528 /nfs/dbraw/zinc/17/85/28/397178528.db2.gz UBKBJQQMEZBUHQ-OAHLLOKOSA-N 1 2 321.421 0.985 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@]1(CO)CCOC1)C2 ZINC000364551817 397219749 /nfs/dbraw/zinc/21/97/49/397219749.db2.gz OXWKNLJAPMTCKM-MEDUHNTESA-N 1 2 307.394 0.906 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@]1(CO)CCOC1)CC2 ZINC000364551817 397219757 /nfs/dbraw/zinc/21/97/57/397219757.db2.gz OXWKNLJAPMTCKM-MEDUHNTESA-N 1 2 307.394 0.906 10 0 DCAELO CCc1nc(C(C)(C)NC(=O)NCC[NH+]2CCOCC2)no1 ZINC000574511166 397275430 /nfs/dbraw/zinc/27/54/30/397275430.db2.gz PJRRCVZRIYXSMY-UHFFFAOYSA-N 1 2 311.386 0.499 10 0 DCAELO C[C@@H]1C[N@H+](CCNC(=O)Cn2ncc3ccccc32)CCO1 ZINC000593194785 397336516 /nfs/dbraw/zinc/33/65/16/397336516.db2.gz ARTGAMRUVDHAMK-CYBMUJFWSA-N 1 2 302.378 0.873 10 0 DCAELO C[C@@H]1C[N@@H+](CCNC(=O)Cn2ncc3ccccc32)CCO1 ZINC000593194785 397336518 /nfs/dbraw/zinc/33/65/18/397336518.db2.gz ARTGAMRUVDHAMK-CYBMUJFWSA-N 1 2 302.378 0.873 10 0 DCAELO COC(=O)C1CCN(C(=O)C[N@@H+]2CCO[C@@H](C3CC3)C2)CC1 ZINC000614408616 397432322 /nfs/dbraw/zinc/43/23/22/397432322.db2.gz SBZDBJZVAGFAIW-CQSZACIVSA-N 1 2 310.394 0.509 10 0 DCAELO COC(=O)C1CCN(C(=O)C[N@H+]2CCO[C@@H](C3CC3)C2)CC1 ZINC000614408616 397432326 /nfs/dbraw/zinc/43/23/26/397432326.db2.gz SBZDBJZVAGFAIW-CQSZACIVSA-N 1 2 310.394 0.509 10 0 DCAELO CC(=O)N1CC[NH+](CCNc2nccc3c(=O)[nH]cnc32)CC1 ZINC000578786510 397486505 /nfs/dbraw/zinc/48/65/05/397486505.db2.gz MEHPEFXLBJBBHW-UHFFFAOYSA-N 1 2 316.365 0.306 10 0 DCAELO Cc1cncc(/C=C/C(=O)N2CCC[N@H+](CC(N)=O)CC2)c1 ZINC000370907903 397523543 /nfs/dbraw/zinc/52/35/43/397523543.db2.gz UEXZQZSENSOWBC-ONEGZZNKSA-N 1 2 302.378 0.423 10 0 DCAELO Cc1cncc(/C=C/C(=O)N2CCC[N@@H+](CC(N)=O)CC2)c1 ZINC000370907903 397523545 /nfs/dbraw/zinc/52/35/45/397523545.db2.gz UEXZQZSENSOWBC-ONEGZZNKSA-N 1 2 302.378 0.423 10 0 DCAELO COC(=O)[C@@H]1CN(C(=O)Nc2ccc3[nH+]ccn3c2)CCO1 ZINC000610027028 397801466 /nfs/dbraw/zinc/80/14/66/397801466.db2.gz XEUVVXJGEJTQLA-NSHDSACASA-N 1 2 304.306 0.740 10 0 DCAELO C[C@@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)C(=O)N(C)C ZINC000046943263 158003371 /nfs/dbraw/zinc/00/33/71/158003371.db2.gz OVCKGEZNPKEWEY-GFCCVEGCSA-N 1 2 319.409 0.826 10 0 DCAELO CC(C)(C)c1n[nH]c(SC[C@H](O)C[NH+]2CCOCC2)n1 ZINC000054866657 158022075 /nfs/dbraw/zinc/02/20/75/158022075.db2.gz LAIAUALVOIXWTL-SNVBAGLBSA-N 1 2 300.428 0.887 10 0 DCAELO CC(C)(C)c1nnc(SC[C@H](O)C[NH+]2CCOCC2)[nH]1 ZINC000054866657 158022077 /nfs/dbraw/zinc/02/20/77/158022077.db2.gz LAIAUALVOIXWTL-SNVBAGLBSA-N 1 2 300.428 0.887 10 0 DCAELO Cc1ccccc1CCNC(=O)[C@H](C)[N@@H+]1CCNC(=O)CC1 ZINC000065955259 158034099 /nfs/dbraw/zinc/03/40/99/158034099.db2.gz ZCPRNRPZMDKCIL-AWEZNQCLSA-N 1 2 303.406 0.864 10 0 DCAELO Cc1ccccc1CCNC(=O)[C@H](C)[N@H+]1CCNC(=O)CC1 ZINC000065955259 158034101 /nfs/dbraw/zinc/03/41/01/158034101.db2.gz ZCPRNRPZMDKCIL-AWEZNQCLSA-N 1 2 303.406 0.864 10 0 DCAELO CCCOc1ccc(CNC(=O)C[N@@H+]2CCNC(=O)CC2)cc1 ZINC000065954570 158034334 /nfs/dbraw/zinc/03/43/34/158034334.db2.gz PGWXFLXXRJVZLW-UHFFFAOYSA-N 1 2 319.405 0.914 10 0 DCAELO CCCOc1ccc(CNC(=O)C[N@H+]2CCNC(=O)CC2)cc1 ZINC000065954570 158034336 /nfs/dbraw/zinc/03/43/36/158034336.db2.gz PGWXFLXXRJVZLW-UHFFFAOYSA-N 1 2 319.405 0.914 10 0 DCAELO C[C@@H](CNC(=O)Cn1c2ccccc2[nH]c1=O)[NH+]1CCOCC1 ZINC000076942851 158066823 /nfs/dbraw/zinc/06/68/23/158066823.db2.gz MATKJRXZLSSXMJ-LBPRGKRZSA-N 1 2 318.377 0.167 10 0 DCAELO C[C@@H](Oc1cccc(C=O)c1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000109264577 158136537 /nfs/dbraw/zinc/13/65/37/158136537.db2.gz VGAQXMLOCTWEKF-IUODEOHRSA-N 1 2 306.362 0.713 10 0 DCAELO O=C(CN1CCCC[C@@H]1C[NH+]1CCOCC1)NCC(F)(F)F ZINC000109819984 158137972 /nfs/dbraw/zinc/13/79/72/158137972.db2.gz OFTCBVSSMLHASE-GFCCVEGCSA-N 1 2 323.359 0.852 10 0 DCAELO O=C(C[N@@H+]1CCCC[C@@H]1CN1CCOCC1)NCC(F)(F)F ZINC000109819984 158137974 /nfs/dbraw/zinc/13/79/74/158137974.db2.gz OFTCBVSSMLHASE-GFCCVEGCSA-N 1 2 323.359 0.852 10 0 DCAELO O=C(C[N@H+]1CCCC[C@@H]1CN1CCOCC1)NCC(F)(F)F ZINC000109819984 158137982 /nfs/dbraw/zinc/13/79/82/158137982.db2.gz OFTCBVSSMLHASE-GFCCVEGCSA-N 1 2 323.359 0.852 10 0 DCAELO CCn1cc(C[N@@H+]2CCCN(S(=O)(=O)CC)CC2)cn1 ZINC000112707528 158143844 /nfs/dbraw/zinc/14/38/44/158143844.db2.gz TZSMANVMVHXRHP-UHFFFAOYSA-N 1 2 300.428 0.760 10 0 DCAELO CCn1cc(C[N@H+]2CCCN(S(=O)(=O)CC)CC2)cn1 ZINC000112707528 158143848 /nfs/dbraw/zinc/14/38/48/158143848.db2.gz TZSMANVMVHXRHP-UHFFFAOYSA-N 1 2 300.428 0.760 10 0 DCAELO O=C(Cc1cn2ccccc2n1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000114854589 158157633 /nfs/dbraw/zinc/15/76/33/158157633.db2.gz ATUKEDBBUSBVBK-HNNXBMFYSA-N 1 2 314.389 0.856 10 0 DCAELO O=C(Cc1cn2ccccc2n1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000114854589 158157635 /nfs/dbraw/zinc/15/76/35/158157635.db2.gz ATUKEDBBUSBVBK-HNNXBMFYSA-N 1 2 314.389 0.856 10 0 DCAELO CCCNC(=O)CCCC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000114858586 158157788 /nfs/dbraw/zinc/15/77/88/158157788.db2.gz OPORTNWSFGSTFY-AWEZNQCLSA-N 1 2 311.426 0.662 10 0 DCAELO CCCNC(=O)CCCC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000114858586 158157790 /nfs/dbraw/zinc/15/77/90/158157790.db2.gz OPORTNWSFGSTFY-AWEZNQCLSA-N 1 2 311.426 0.662 10 0 DCAELO C[C@H](C(=O)N1CCCCC1)[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116994713 158168666 /nfs/dbraw/zinc/16/86/66/158168666.db2.gz ULOFMAMYBARZJD-NEPJUHHUSA-N 1 2 303.428 0.011 10 0 DCAELO C[C@H](C(=O)N1CCCCC1)[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116994713 158168668 /nfs/dbraw/zinc/16/86/68/158168668.db2.gz ULOFMAMYBARZJD-NEPJUHHUSA-N 1 2 303.428 0.011 10 0 DCAELO CC(C)CC(=O)NCCC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000120922323 158205282 /nfs/dbraw/zinc/20/52/82/158205282.db2.gz FCJGHHVUEDIZTB-AWEZNQCLSA-N 1 2 311.426 0.518 10 0 DCAELO CC(C)CC(=O)NCCC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000120922323 158205284 /nfs/dbraw/zinc/20/52/84/158205284.db2.gz FCJGHHVUEDIZTB-AWEZNQCLSA-N 1 2 311.426 0.518 10 0 DCAELO C[C@@H](Cc1ccccc1)C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000132276997 158308990 /nfs/dbraw/zinc/30/89/90/158308990.db2.gz VDTMEVHADGWBHK-GOEBONIOSA-N 1 2 306.406 0.675 10 0 DCAELO C[C@@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000171702076 158386747 /nfs/dbraw/zinc/38/67/47/158386747.db2.gz SEJRILINPRIFCR-QWRGUYRKSA-N 1 2 317.401 0.509 10 0 DCAELO C[C@@H](c1nc(N)nc(N(C)C)n1)[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000171702076 158386749 /nfs/dbraw/zinc/38/67/49/158386749.db2.gz SEJRILINPRIFCR-QWRGUYRKSA-N 1 2 317.401 0.509 10 0 DCAELO O=C(CCOCC(F)(F)F)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172747591 158398898 /nfs/dbraw/zinc/39/88/98/158398898.db2.gz SPXHXMRJFJYZPK-NSHDSACASA-N 1 2 310.316 0.889 10 0 DCAELO O=C(Cc1ccc2c(c1)OCO2)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172743825 158398940 /nfs/dbraw/zinc/39/89/40/158398940.db2.gz PGBRBHXGSDUZIN-CQSZACIVSA-N 1 2 318.373 0.891 10 0 DCAELO O=C([C@@H]1Cc2ccccc2O1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172761709 158399415 /nfs/dbraw/zinc/39/94/15/158399415.db2.gz YEEHQFFWAWOGQV-ZBFHGGJFSA-N 1 2 302.374 0.923 10 0 DCAELO NC(=O)c1cccc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000172763041 158399985 /nfs/dbraw/zinc/39/99/85/158399985.db2.gz IFICFGRJIKZBHN-CQSZACIVSA-N 1 2 303.362 0.332 10 0 DCAELO COCCCNC(=O)C[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189703747 158554481 /nfs/dbraw/zinc/55/44/81/158554481.db2.gz WHBCKKAHFLTGBB-UHFFFAOYSA-N 1 2 321.425 0.562 10 0 DCAELO COC(=O)[C@@H]1CCC[C@H](C(=O)NC[C@H](C)[NH+]2CCOCC2)C1 ZINC000247236704 158680510 /nfs/dbraw/zinc/68/05/10/158680510.db2.gz XJYPRHWRURAWHW-MELADBBJSA-N 1 2 312.410 0.803 10 0 DCAELO Cn1c(-c2ccccn2)nnc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000328648226 159016676 /nfs/dbraw/zinc/01/66/76/159016676.db2.gz AFTWNAACRPESPM-CYBMUJFWSA-N 1 2 314.393 0.788 10 0 DCAELO CC(=O)N1CCC[C@H](C(=O)N2CC[NH2+][C@H](c3cccnc3)C2)C1 ZINC000328659133 159017633 /nfs/dbraw/zinc/01/76/33/159017633.db2.gz SEJCNHJDBNWOCO-HOTGVXAUSA-N 1 2 316.405 0.813 10 0 DCAELO C[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC(=O)N1C ZINC000328729338 159025173 /nfs/dbraw/zinc/02/51/73/159025173.db2.gz WBPOAXAVRGSJJT-OCCSQVGLSA-N 1 2 309.410 0.176 10 0 DCAELO C[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC(=O)N1C ZINC000328729338 159025174 /nfs/dbraw/zinc/02/51/74/159025174.db2.gz WBPOAXAVRGSJJT-OCCSQVGLSA-N 1 2 309.410 0.176 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccc4c3OCO4)C[C@H]21 ZINC000328864500 159036337 /nfs/dbraw/zinc/03/63/37/159036337.db2.gz GCVBOBYMEZVIPW-CHWSQXEVSA-N 1 2 304.346 0.960 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccc4c3OCO4)C[C@H]21 ZINC000328864500 159036338 /nfs/dbraw/zinc/03/63/38/159036338.db2.gz GCVBOBYMEZVIPW-CHWSQXEVSA-N 1 2 304.346 0.960 10 0 DCAELO CCc1cc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)cc(=O)[nH]1 ZINC000328905137 159040168 /nfs/dbraw/zinc/04/01/68/159040168.db2.gz JWDKSDLEOOKJLN-KBPBESRZSA-N 1 2 305.378 0.895 10 0 DCAELO CCc1cc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)cc(=O)[nH]1 ZINC000328905137 159040169 /nfs/dbraw/zinc/04/01/69/159040169.db2.gz JWDKSDLEOOKJLN-KBPBESRZSA-N 1 2 305.378 0.895 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(Cc3nnnn3CC(F)(F)F)C[C@H]21 ZINC000328926894 159042814 /nfs/dbraw/zinc/04/28/14/159042814.db2.gz WSFRUBCHISBPFZ-NXEZZACHSA-N 1 2 320.319 0.140 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(Cc3nnnn3CC(F)(F)F)C[C@H]21 ZINC000328926894 159042816 /nfs/dbraw/zinc/04/28/16/159042816.db2.gz WSFRUBCHISBPFZ-NXEZZACHSA-N 1 2 320.319 0.140 10 0 DCAELO CN1CCO[C@@H]2CC[N@H+](Cc3nnnn3CC(F)(F)F)C[C@H]21 ZINC000328926894 159042818 /nfs/dbraw/zinc/04/28/18/159042818.db2.gz WSFRUBCHISBPFZ-NXEZZACHSA-N 1 2 320.319 0.140 10 0 DCAELO CN1CCO[C@@H]2CC[N@@H+](Cc3nnnn3CC(F)(F)F)C[C@H]21 ZINC000328926894 159042819 /nfs/dbraw/zinc/04/28/19/159042819.db2.gz WSFRUBCHISBPFZ-NXEZZACHSA-N 1 2 320.319 0.140 10 0 DCAELO C[C@@H]1C[C@@H](C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CCC1=O ZINC000328986232 159049775 /nfs/dbraw/zinc/04/97/75/159049775.db2.gz ZWXNEVGMIUMFTC-KGLIPLIRSA-N 1 2 323.437 0.614 10 0 DCAELO CN(Cc1nnnn1C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000329159023 159068994 /nfs/dbraw/zinc/06/89/94/159068994.db2.gz XHVQDLOTQRXPBC-LBPRGKRZSA-N 1 2 322.438 0.777 10 0 DCAELO CC[C@@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329190745 159071438 /nfs/dbraw/zinc/07/14/38/159071438.db2.gz REDJIWFCEOGAEG-BFHYXJOUSA-N 1 2 314.451 0.896 10 0 DCAELO CC[C@@H]1CCCCN1C(=O)C[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329190745 159071439 /nfs/dbraw/zinc/07/14/39/159071439.db2.gz REDJIWFCEOGAEG-BFHYXJOUSA-N 1 2 314.451 0.896 10 0 DCAELO C[C@H]1CCN(S(=O)(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000329409119 159089868 /nfs/dbraw/zinc/08/98/68/159089868.db2.gz BEFJKXCWDJPRJK-WCQYABFASA-N 1 2 303.428 0.026 10 0 DCAELO C[C@H]1CCN(S(=O)(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000329409119 159089870 /nfs/dbraw/zinc/08/98/70/159089870.db2.gz BEFJKXCWDJPRJK-WCQYABFASA-N 1 2 303.428 0.026 10 0 DCAELO CN(C(=O)CS(=O)(=O)C1CCCC1)[C@@H]1C[NH+]2CCC1CC2 ZINC000329434252 159092739 /nfs/dbraw/zinc/09/27/39/159092739.db2.gz IUYPMKXGNHYLGQ-CQSZACIVSA-N 1 2 314.451 0.896 10 0 DCAELO O=C(c1cnn2ccncc12)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000330011781 159135414 /nfs/dbraw/zinc/13/54/14/159135414.db2.gz JMNHBXOHDNJSJP-GFCCVEGCSA-N 1 2 301.350 0.276 10 0 DCAELO CNC(=O)[C@H]1CCCN1C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000332724383 159210624 /nfs/dbraw/zinc/21/06/24/159210624.db2.gz LBPCUTGHBSADMM-CHWSQXEVSA-N 1 2 319.409 0.989 10 0 DCAELO COC(=O)C1(CNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)CC1 ZINC000408021865 160013804 /nfs/dbraw/zinc/01/38/04/160013804.db2.gz JRCSFFVWTWOAFX-VXGBXAGGSA-N 1 2 311.382 0.054 10 0 DCAELO COC(=O)C1(CNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)CC1 ZINC000408021865 160013807 /nfs/dbraw/zinc/01/38/07/160013807.db2.gz JRCSFFVWTWOAFX-VXGBXAGGSA-N 1 2 311.382 0.054 10 0 DCAELO COC(=O)C1(CNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000408021862 160014227 /nfs/dbraw/zinc/01/42/27/160014227.db2.gz JRCSFFVWTWOAFX-NWDGAFQWSA-N 1 2 311.382 0.054 10 0 DCAELO COC(=O)C1(CNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000408021862 160014230 /nfs/dbraw/zinc/01/42/30/160014230.db2.gz JRCSFFVWTWOAFX-NWDGAFQWSA-N 1 2 311.382 0.054 10 0 DCAELO CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000408073403 160029528 /nfs/dbraw/zinc/02/95/28/160029528.db2.gz LIMQLCWUICMLBW-AGGWBTHJSA-N 1 2 311.426 0.470 10 0 DCAELO CCn1cnnc1[C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000408127599 160042771 /nfs/dbraw/zinc/04/27/71/160042771.db2.gz XCUZJONLYUTRMV-KGLIPLIRSA-N 1 2 321.425 0.725 10 0 DCAELO C[C@@H]1C[C@H](C(=O)N2CC[NH+](Cc3ccco3)CC2)CC(=O)N1 ZINC000408197620 160057248 /nfs/dbraw/zinc/05/72/48/160057248.db2.gz KZYSDARKVQTGEE-OLZOCXBDSA-N 1 2 305.378 0.839 10 0 DCAELO Cc1cc(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)nc(C)n1 ZINC000408198956 160058263 /nfs/dbraw/zinc/05/82/63/160058263.db2.gz PNDQQQIPBVFQCP-IAQYHMDHSA-N 1 2 304.394 0.886 10 0 DCAELO Cc1cnc(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c(O)c1 ZINC000408223368 160063142 /nfs/dbraw/zinc/06/31/42/160063142.db2.gz ISTJBYURFWWRTA-OLZOCXBDSA-N 1 2 305.378 0.888 10 0 DCAELO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000408232392 160065165 /nfs/dbraw/zinc/06/51/65/160065165.db2.gz NZDJYYWFOFECQK-DTWKUNHWSA-N 1 2 304.334 0.312 10 0 DCAELO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000408232392 160065166 /nfs/dbraw/zinc/06/51/66/160065166.db2.gz NZDJYYWFOFECQK-DTWKUNHWSA-N 1 2 304.334 0.312 10 0 DCAELO Cc1cc(C)n([C@@H](C)C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)n1 ZINC000408232858 160065578 /nfs/dbraw/zinc/06/55/78/160065578.db2.gz WPZGZUVTHMICNM-LSDHHAIUSA-N 1 2 306.410 0.994 10 0 DCAELO CC(C)[C@H]1OCC[C@@H]1C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000408275034 160074526 /nfs/dbraw/zinc/07/45/26/160074526.db2.gz SCMVDNJLKUMYLU-QWHCGFSZSA-N 1 2 311.426 0.456 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3cc(-c4ccco4)n[nH]3)C[C@H]21 ZINC000408294477 160078414 /nfs/dbraw/zinc/07/84/14/160078414.db2.gz MYGSXEHUPOAQOX-TZMCWYRMSA-N 1 2 302.334 0.825 10 0 DCAELO C[N@H+]1CCO[C@@H]2CN(C(=O)c3cc(-c4ccco4)n[nH]3)C[C@H]21 ZINC000408294477 160078415 /nfs/dbraw/zinc/07/84/15/160078415.db2.gz MYGSXEHUPOAQOX-TZMCWYRMSA-N 1 2 302.334 0.825 10 0 DCAELO C[N@@H+]1CCO[C@H]2CN(C(=O)c3ccc(NC(N)=O)cc3)C[C@H]21 ZINC000408295745 160079220 /nfs/dbraw/zinc/07/92/20/160079220.db2.gz WLHJTCBPOQNKHE-OLZOCXBDSA-N 1 2 304.350 0.332 10 0 DCAELO C[N@H+]1CCO[C@H]2CN(C(=O)c3ccc(NC(N)=O)cc3)C[C@H]21 ZINC000408295745 160079223 /nfs/dbraw/zinc/07/92/23/160079223.db2.gz WLHJTCBPOQNKHE-OLZOCXBDSA-N 1 2 304.350 0.332 10 0 DCAELO O=C([C@@H]1OC[C@@H]2COCC[C@@H]12)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000408357178 160091465 /nfs/dbraw/zinc/09/14/65/160091465.db2.gz IZPLLGQHUVCRTB-ZJIFWQFVSA-N 1 2 317.389 0.606 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2cncc(F)c2)C[C@H]1C ZINC000408431959 160106906 /nfs/dbraw/zinc/10/69/06/160106906.db2.gz CODJCXZUSQTGAU-MNOVXSKESA-N 1 2 317.386 0.296 10 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/nfs/dbraw/zinc/07/41/24/287074124.db2.gz SXJNTPRWWJMPAZ-STQMWFEESA-N 1 2 320.455 0.236 10 0 DCAELO CC[C@@H]1CN(C(=O)C2(O)CCOCC2)C[C@H]1[NH+]1CCOCC1 ZINC000330001150 287128726 /nfs/dbraw/zinc/12/87/26/287128726.db2.gz AANALLFWCOWSAP-ZIAGYGMSSA-N 1 2 312.410 0.097 10 0 DCAELO Cc1ccc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCOCC2)cc1 ZINC000047705687 415277830 /nfs/dbraw/zinc/27/78/30/415277830.db2.gz GPYJYMVSQKLSJZ-CYBMUJFWSA-N 1 2 305.378 0.770 10 0 DCAELO CC(=O)c1cccc(OC[C@H](O)C[N@@H+]2CCNC(=O)CC2)c1 ZINC000103230989 415614335 /nfs/dbraw/zinc/61/43/35/415614335.db2.gz HLYFRJBYVIFKMI-CQSZACIVSA-N 1 2 306.362 0.451 10 0 DCAELO CC(=O)c1cccc(OC[C@H](O)C[N@H+]2CCNC(=O)CC2)c1 ZINC000103230989 415614340 /nfs/dbraw/zinc/61/43/40/415614340.db2.gz HLYFRJBYVIFKMI-CQSZACIVSA-N 1 2 306.362 0.451 10 0 DCAELO CCC(=O)N[C@@H]1CCCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000105279254 415633119 /nfs/dbraw/zinc/63/31/19/415633119.db2.gz ZJXQITHXQNMBBB-CHWSQXEVSA-N 1 2 312.414 0.017 10 0 DCAELO CCC(=O)N[C@@H]1CCCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000105279254 415633123 /nfs/dbraw/zinc/63/31/23/415633123.db2.gz ZJXQITHXQNMBBB-CHWSQXEVSA-N 1 2 312.414 0.017 10 0 DCAELO C[C@H](C(=O)N[C@H]1CCc2ccccc2C1=O)N1CC[NH+](C)CC1 ZINC000333759286 415731346 /nfs/dbraw/zinc/73/13/46/415731346.db2.gz VHUFMMAPBZXPSI-CJNGLKHVSA-N 1 2 315.417 0.936 10 0 DCAELO CN1C(=O)NCC12CC[NH+](Cc1cn(CC3CC3)nn1)CC2 ZINC000333666400 415711533 /nfs/dbraw/zinc/71/15/33/415711533.db2.gz BYCLTSQXPNTWFA-UHFFFAOYSA-N 1 2 304.398 0.678 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)CCc2nc(-c3ccoc3)no2)C1 ZINC000120218063 415761321 /nfs/dbraw/zinc/76/13/21/415761321.db2.gz MIQZCCOSYOHZJH-LBPRGKRZSA-N 1 2 320.349 0.709 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)CCc2nc(-c3ccoc3)no2)C1 ZINC000120218063 415761328 /nfs/dbraw/zinc/76/13/28/415761328.db2.gz MIQZCCOSYOHZJH-LBPRGKRZSA-N 1 2 320.349 0.709 10 0 DCAELO CN(C)c1[nH+]cccc1CNC(=O)c1cc(C(N)=O)cn1C ZINC000120095056 415755729 /nfs/dbraw/zinc/75/57/29/415755729.db2.gz PZOJBRDBPZDDCY-UHFFFAOYSA-N 1 2 301.350 0.515 10 0 DCAELO Cn1ncc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c1-n1cccc1 ZINC000124140367 415849081 /nfs/dbraw/zinc/84/90/81/415849081.db2.gz AIZIQSGSAMZXHQ-KGLIPLIRSA-N 1 2 315.377 0.366 10 0 DCAELO Cn1ncc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c1-n1cccc1 ZINC000124140367 415849087 /nfs/dbraw/zinc/84/90/87/415849087.db2.gz AIZIQSGSAMZXHQ-KGLIPLIRSA-N 1 2 315.377 0.366 10 0 DCAELO Cc1nn(C)cc1[C@H](C)NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173801533 416065434 /nfs/dbraw/zinc/06/54/34/416065434.db2.gz HUFSNSPJLYNSRS-JSGCOSHPSA-N 1 2 321.425 0.906 10 0 DCAELO NC(=O)c1ccc(NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000173780553 416065883 /nfs/dbraw/zinc/06/58/83/416065883.db2.gz JBLJZSSQAWIHJF-AWEZNQCLSA-N 1 2 318.377 0.724 10 0 DCAELO O=C(NCc1cccc(CO)c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173908733 416067061 /nfs/dbraw/zinc/06/70/61/416067061.db2.gz QCABSCDJLRBHRZ-INIZCTEOSA-N 1 2 319.405 0.795 10 0 DCAELO CNC(=O)[C@H]1CCCN1C(=O)NCc1[nH+]ccn1CC(C)C ZINC000159016866 416006071 /nfs/dbraw/zinc/00/60/71/416006071.db2.gz MIOJCSPIDNGTCQ-GFCCVEGCSA-N 1 2 307.398 0.959 10 0 DCAELO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2cccnn2)CC1 ZINC000170649391 416027526 /nfs/dbraw/zinc/02/75/26/416027526.db2.gz PQMCJTRDFPTQEX-ZDUSSCGKSA-N 1 2 307.398 0.140 10 0 DCAELO Cc1nc(SCC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)n[nH]1 ZINC000174869473 416087982 /nfs/dbraw/zinc/08/79/82/416087982.db2.gz UXPAUWBHCAKQPU-NSHDSACASA-N 1 2 311.411 0.185 10 0 DCAELO Cc1nc(SCC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)n[nH]1 ZINC000174869473 416087986 /nfs/dbraw/zinc/08/79/86/416087986.db2.gz UXPAUWBHCAKQPU-NSHDSACASA-N 1 2 311.411 0.185 10 0 DCAELO Cc1nnc(SCC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)[nH]1 ZINC000174869473 416087990 /nfs/dbraw/zinc/08/79/90/416087990.db2.gz UXPAUWBHCAKQPU-NSHDSACASA-N 1 2 311.411 0.185 10 0 DCAELO Cc1nnc(SCC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)[nH]1 ZINC000174869473 416087995 /nfs/dbraw/zinc/08/79/95/416087995.db2.gz UXPAUWBHCAKQPU-NSHDSACASA-N 1 2 311.411 0.185 10 0 DCAELO CNC(=O)[C@H](Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1)C(C)C ZINC000301784089 416091539 /nfs/dbraw/zinc/09/15/39/416091539.db2.gz OGMPDHKWWNLRHA-SWLSCSKDSA-N 1 2 321.425 0.868 10 0 DCAELO CNC(=O)[C@H](Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)C(C)C ZINC000301784089 416091541 /nfs/dbraw/zinc/09/15/41/416091541.db2.gz OGMPDHKWWNLRHA-SWLSCSKDSA-N 1 2 321.425 0.868 10 0 DCAELO CC(C)c1nc(N2CCN([C@@H](C)C(N)=O)CC2)nc(N(C)C)[nH+]1 ZINC000301947131 416098371 /nfs/dbraw/zinc/09/83/71/416098371.db2.gz HJSIYLBBAKMPNC-NSHDSACASA-N 1 2 321.429 0.057 10 0 DCAELO CC(C)=C(F)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000177679212 416149095 /nfs/dbraw/zinc/14/90/95/416149095.db2.gz CCMGNWIDPOQXMY-GFCCVEGCSA-N 1 2 313.373 0.299 10 0 DCAELO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1nnnn1C(C)(C)C ZINC000329091849 416149195 /nfs/dbraw/zinc/14/91/95/416149195.db2.gz XBNKWYGFJXCCDB-QWHCGFSZSA-N 1 2 308.430 0.723 10 0 DCAELO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1nnnn1C(C)(C)C ZINC000329091849 416149202 /nfs/dbraw/zinc/14/92/02/416149202.db2.gz XBNKWYGFJXCCDB-QWHCGFSZSA-N 1 2 308.430 0.723 10 0 DCAELO C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1nnnn1C(C)(C)C ZINC000329091849 416149206 /nfs/dbraw/zinc/14/92/06/416149206.db2.gz XBNKWYGFJXCCDB-QWHCGFSZSA-N 1 2 308.430 0.723 10 0 DCAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)N[C@H]2CCOC2)CC1 ZINC000178746957 416170421 /nfs/dbraw/zinc/17/04/21/416170421.db2.gz RCRSCLJCCQPESB-AWEZNQCLSA-N 1 2 321.425 0.653 10 0 DCAELO Cc1c(F)cccc1NC(=O)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178963851 416179110 /nfs/dbraw/zinc/17/91/10/416179110.db2.gz RYARMRMYDMTWDL-LBPRGKRZSA-N 1 2 320.368 0.189 10 0 DCAELO Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[NH+]3CCN2CC3)cc1F ZINC000178967127 416179314 /nfs/dbraw/zinc/17/93/14/416179314.db2.gz CKURGXOQVTZIRQ-CYBMUJFWSA-N 1 2 320.368 0.189 10 0 DCAELO CC(C)(C)S(=O)(=O)CC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000179416255 416187368 /nfs/dbraw/zinc/18/73/68/416187368.db2.gz CWZZQEJBTVKPLW-UHFFFAOYSA-N 1 2 302.440 0.896 10 0 DCAELO CC(C)(C)S(=O)(=O)CC(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000179416255 416187370 /nfs/dbraw/zinc/18/73/70/416187370.db2.gz CWZZQEJBTVKPLW-UHFFFAOYSA-N 1 2 302.440 0.896 10 0 DCAELO COc1cc(C(=O)N2CCCC[C@@H]([NH+]3CCN(C)CC3)C2)on1 ZINC000182141326 416214663 /nfs/dbraw/zinc/21/46/63/416214663.db2.gz RRMIEERTYMRCHW-CYBMUJFWSA-N 1 2 322.409 0.925 10 0 DCAELO Cn1nnc2ccc(C(=O)NCC(C)(C)[NH+]3CCOCC3)cc21 ZINC000182286736 416217038 /nfs/dbraw/zinc/21/70/38/416217038.db2.gz FNMBNYPIZTWTNB-UHFFFAOYSA-N 1 2 317.393 0.809 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)N2CCCC[C@@H]2c2cn[nH]c2)C1 ZINC000182704945 416230301 /nfs/dbraw/zinc/23/03/01/416230301.db2.gz JXYCFUBGSSPIDR-ZIAGYGMSSA-N 1 2 307.398 0.977 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)N2CCCC[C@@H]2c2cn[nH]c2)C1 ZINC000182704945 416230304 /nfs/dbraw/zinc/23/03/04/416230304.db2.gz JXYCFUBGSSPIDR-ZIAGYGMSSA-N 1 2 307.398 0.977 10 0 DCAELO Cc1cc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)ccc1F ZINC000190027195 416273870 /nfs/dbraw/zinc/27/38/70/416273870.db2.gz CPIRHWYEZWUWDI-LBPRGKRZSA-N 1 2 323.368 0.598 10 0 DCAELO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)ccc1F ZINC000190027195 416273873 /nfs/dbraw/zinc/27/38/73/416273873.db2.gz CPIRHWYEZWUWDI-LBPRGKRZSA-N 1 2 323.368 0.598 10 0 DCAELO C[C@H]1C[NH+]=C(N2CCN(C(=O)[C@H]3CCCCC(=O)N3)CC2)S1 ZINC000194200632 416322759 /nfs/dbraw/zinc/32/27/59/416322759.db2.gz COQBVFJWNJUGKB-NWDGAFQWSA-N 1 2 324.450 0.681 10 0 DCAELO COc1n[nH]c(NC(=O)[C@@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000245596065 416331277 /nfs/dbraw/zinc/33/12/77/416331277.db2.gz IPDRBHBYQWWGBM-OUAUKWLOSA-N 1 2 311.386 0.886 10 0 DCAELO COc1n[nH]c(NC(=O)[C@@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000245596065 416331278 /nfs/dbraw/zinc/33/12/78/416331278.db2.gz IPDRBHBYQWWGBM-OUAUKWLOSA-N 1 2 311.386 0.886 10 0 DCAELO Cc1cc(NC(=O)CN2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)no1 ZINC000246428293 416331994 /nfs/dbraw/zinc/33/19/94/416331994.db2.gz LBARWBOSHIPJTA-AAEUAGOBSA-N 1 2 308.382 0.574 10 0 DCAELO Cc1cc(NC(=O)C[N@@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)no1 ZINC000246428293 416331995 /nfs/dbraw/zinc/33/19/95/416331995.db2.gz LBARWBOSHIPJTA-AAEUAGOBSA-N 1 2 308.382 0.574 10 0 DCAELO Cc1cc(NC(=O)C[N@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)no1 ZINC000246428293 416331996 /nfs/dbraw/zinc/33/19/96/416331996.db2.gz LBARWBOSHIPJTA-AAEUAGOBSA-N 1 2 308.382 0.574 10 0 DCAELO Cc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000583617470 416477288 /nfs/dbraw/zinc/47/72/88/416477288.db2.gz WOZHMDBHLRJDJU-CYBMUJFWSA-N 1 2 310.789 0.984 10 0 DCAELO Cc1nn(C)c(Cl)c1C[N@H+]1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000583617470 416477290 /nfs/dbraw/zinc/47/72/90/416477290.db2.gz WOZHMDBHLRJDJU-CYBMUJFWSA-N 1 2 310.789 0.984 10 0 DCAELO Cc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@](O)(c2c[nH]nn2)C1 ZINC000583617470 416477295 /nfs/dbraw/zinc/47/72/95/416477295.db2.gz WOZHMDBHLRJDJU-CYBMUJFWSA-N 1 2 310.789 0.984 10 0 DCAELO Cc1nn(C)c(Cl)c1C[N@H+]1CCC[C@](O)(c2c[nH]nn2)C1 ZINC000583617470 416477298 /nfs/dbraw/zinc/47/72/98/416477298.db2.gz WOZHMDBHLRJDJU-CYBMUJFWSA-N 1 2 310.789 0.984 10 0 DCAELO OC[C@@H]1C[C@H](F)CN1c1cc(N2C[C@@H](F)C[C@H]2CO)[nH+]cn1 ZINC000583617611 416478008 /nfs/dbraw/zinc/47/80/08/416478008.db2.gz LTLYHHNELASIAK-BJDJZHNGSA-N 1 2 314.336 0.295 10 0 DCAELO CC1=CC[N@H+](CCNC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000545130438 416662115 /nfs/dbraw/zinc/66/21/15/416662115.db2.gz YGRYVZDYLFILOC-GFCCVEGCSA-N 1 2 301.412 0.125 10 0 DCAELO CC1=CC[N@@H+](CCNC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000545130438 416662118 /nfs/dbraw/zinc/66/21/18/416662118.db2.gz YGRYVZDYLFILOC-GFCCVEGCSA-N 1 2 301.412 0.125 10 0 DCAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000370121637 416887048 /nfs/dbraw/zinc/88/70/48/416887048.db2.gz LMGCUOXMRQLHLF-XJKSGUPXSA-N 1 2 309.410 0.226 10 0 DCAELO CCCC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000370121637 416887055 /nfs/dbraw/zinc/88/70/55/416887055.db2.gz LMGCUOXMRQLHLF-XJKSGUPXSA-N 1 2 309.410 0.226 10 0 DCAELO C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000408020188 299023147 /nfs/dbraw/zinc/02/31/47/299023147.db2.gz BYLCDWNHHIUHDU-RWMBFGLXSA-N 1 2 311.426 0.469 10 0 DCAELO C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000408020188 299023150 /nfs/dbraw/zinc/02/31/50/299023150.db2.gz BYLCDWNHHIUHDU-RWMBFGLXSA-N 1 2 311.426 0.469 10 0 DCAELO CCOC(=O)[C@H]1CN(C(=O)Nc2cc[nH+]cc2C)CC12COC2 ZINC000455033779 417590734 /nfs/dbraw/zinc/59/07/34/417590734.db2.gz MAVFIYJPGDDVRY-GFCCVEGCSA-N 1 2 319.361 0.855 10 0 DCAELO CC(C)OC(=O)[C@H](C)[N@H+](C)C[C@@H](O)COC[C@@H]1CCCO1 ZINC000531842650 417644022 /nfs/dbraw/zinc/64/40/22/417644022.db2.gz VVXSBBLZOOCJCJ-MJBXVCDLSA-N 1 2 303.399 0.815 10 0 DCAELO CC(C)OC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)COC[C@@H]1CCCO1 ZINC000531842650 417644028 /nfs/dbraw/zinc/64/40/28/417644028.db2.gz VVXSBBLZOOCJCJ-MJBXVCDLSA-N 1 2 303.399 0.815 10 0 DCAELO Cn1cc([C@@H](CO)[NH2+]Cc2c(Br)cnn2C)cn1 ZINC000487536787 287538893 /nfs/dbraw/zinc/53/88/93/287538893.db2.gz LRZDXCBLEOFFKT-SNVBAGLBSA-N 1 2 314.187 0.739 10 0 DCAELO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000488572017 287553900 /nfs/dbraw/zinc/55/39/00/287553900.db2.gz HYSAQJNRTSCNDZ-MNOVXSKESA-N 1 2 322.365 0.390 10 0 DCAELO Cc1c(C(=O)NC[C@H]2C[N@H+](C)CCO2)[nH]c2c1C(=O)CCC2 ZINC000299445000 229120354 /nfs/dbraw/zinc/12/03/54/229120354.db2.gz YFIFSGRSUYFJHW-NSHDSACASA-N 1 2 305.378 0.903 10 0 DCAELO Cc1c(C(=O)NC[C@H]2C[N@@H+](C)CCO2)[nH]c2c1C(=O)CCC2 ZINC000299445000 229120356 /nfs/dbraw/zinc/12/03/56/229120356.db2.gz YFIFSGRSUYFJHW-NSHDSACASA-N 1 2 305.378 0.903 10 0 DCAELO CCOC(=O)[C@H](C)[N@H+](C[C@H](O)CN1CCOCC1)C1CC1 ZINC000190813679 261135763 /nfs/dbraw/zinc/13/57/63/261135763.db2.gz CJWKXPCLSZHDRA-GXTWGEPZSA-N 1 2 300.399 0.096 10 0 DCAELO CCOC(=O)[C@H](C)[N@@H+](C[C@H](O)CN1CCOCC1)C1CC1 ZINC000190813679 261135764 /nfs/dbraw/zinc/13/57/64/261135764.db2.gz CJWKXPCLSZHDRA-GXTWGEPZSA-N 1 2 300.399 0.096 10 0 DCAELO CCOC(=O)[C@H](C)N(C[C@H](O)C[NH+]1CCOCC1)C1CC1 ZINC000190813679 261135766 /nfs/dbraw/zinc/13/57/66/261135766.db2.gz CJWKXPCLSZHDRA-GXTWGEPZSA-N 1 2 300.399 0.096 10 0 DCAELO CN(C)c1[nH+]cccc1CNC(=O)C(=O)Nc1ccc(F)cn1 ZINC000192921101 261139573 /nfs/dbraw/zinc/13/95/73/261139573.db2.gz QZJYNOIFXGSESL-UHFFFAOYSA-N 1 2 317.324 0.937 10 0 DCAELO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000195518929 261152449 /nfs/dbraw/zinc/15/24/49/261152449.db2.gz QZEXDSFMMXYMSR-LBPRGKRZSA-N 1 2 321.425 0.368 10 0 DCAELO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000195518929 261152452 /nfs/dbraw/zinc/15/24/52/261152452.db2.gz QZEXDSFMMXYMSR-LBPRGKRZSA-N 1 2 321.425 0.368 10 0 DCAELO O=C(C[N@@H+]1CCN2CCOC[C@H]2C1)NCc1ccc(Cl)cc1 ZINC000363793264 262130034 /nfs/dbraw/zinc/13/00/34/262130034.db2.gz HUAJYRVCXKVUFX-OAHLLOKOSA-N 1 2 323.824 0.973 10 0 DCAELO O=C(C[N@H+]1CCN2CCOC[C@H]2C1)NCc1ccc(Cl)cc1 ZINC000363793264 262130036 /nfs/dbraw/zinc/13/00/36/262130036.db2.gz HUAJYRVCXKVUFX-OAHLLOKOSA-N 1 2 323.824 0.973 10 0 DCAELO CCCS(=O)(=O)NC1CC[NH+]([C@H](C(=O)OC)C2CC2)CC1 ZINC000359603529 271131620 /nfs/dbraw/zinc/13/16/20/271131620.db2.gz VRSQEBBYVDRAAQ-ZDUSSCGKSA-N 1 2 318.439 0.732 10 0 DCAELO CC[C@H](C)NC(=O)C[NH+]1CCN([C@@H](C(=O)OC)C2CC2)CC1 ZINC000359611383 271133339 /nfs/dbraw/zinc/13/33/39/271133339.db2.gz PFMGRJOSIJMRDT-SWLSCSKDSA-N 1 2 311.426 0.470 10 0 DCAELO Cn1cc(C(=O)NC[C@H]2C[N@H+](C)CCO2)c(-c2ccoc2)n1 ZINC000363931419 271209005 /nfs/dbraw/zinc/20/90/05/271209005.db2.gz RUTIESGZBNUIRT-LBPRGKRZSA-N 1 2 304.350 0.741 10 0 DCAELO Cn1cc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)c(-c2ccoc2)n1 ZINC000363931419 271209006 /nfs/dbraw/zinc/20/90/06/271209006.db2.gz RUTIESGZBNUIRT-LBPRGKRZSA-N 1 2 304.350 0.741 10 0 DCAELO CCc1cc(=O)[nH]c(CN2CC[NH+](C(C)(C)C(=O)OC)CC2)n1 ZINC000494388468 272221072 /nfs/dbraw/zinc/22/10/72/272221072.db2.gz UFHZOSRZPBLOKJ-UHFFFAOYSA-N 1 2 322.409 0.814 10 0 DCAELO O=C(NCCC1(O)CCC1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000551482718 288229080 /nfs/dbraw/zinc/22/90/80/288229080.db2.gz LYWRIJOLGQOJHQ-UHFFFAOYSA-N 1 2 302.334 0.694 10 0 DCAELO O=C(NCCCn1cc[nH+]c1)C(=O)Nc1ccc2nccn2c1 ZINC000552703408 288279257 /nfs/dbraw/zinc/27/92/57/288279257.db2.gz XSGQQCSHALIDPT-UHFFFAOYSA-N 1 2 312.333 0.676 10 0 DCAELO COC(=O)[C@@H](C)CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000553069635 288285887 /nfs/dbraw/zinc/28/58/87/288285887.db2.gz JUAJIRAXSREJFY-VIFPVBQESA-N 1 2 304.306 0.198 10 0 DCAELO CCC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172750398 281867126 /nfs/dbraw/zinc/86/71/26/281867126.db2.gz QTTGTOYOVXARSH-HUUCEWRRSA-N 1 2 323.437 0.711 10 0 DCAELO C[C@@H]1c2ccccc2O[C@H]1C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000132724838 289087116 /nfs/dbraw/zinc/08/71/16/289087116.db2.gz HYGJQDMLPUIJPZ-DVOMOZLQSA-N 1 2 320.389 0.360 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@@H](NC(N)=O)C(C)(C)C)C[C@@H]21 ZINC000408019714 290081996 /nfs/dbraw/zinc/08/19/96/290081996.db2.gz AKHDTVUFSGPBOL-QJPTWQEYSA-N 1 2 312.414 0.001 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@@H](NC(N)=O)C(C)(C)C)C[C@@H]21 ZINC000408019714 290081999 /nfs/dbraw/zinc/08/19/99/290081999.db2.gz AKHDTVUFSGPBOL-QJPTWQEYSA-N 1 2 312.414 0.001 10 0 DCAELO CCOCC[N@@H+]1CCN(C(=O)CCCS(C)(=O)=O)C[C@@H]1C ZINC000117275607 519913648 /nfs/dbraw/zinc/91/36/48/519913648.db2.gz COSBQOPWJLHHMZ-ZDUSSCGKSA-N 1 2 320.455 0.380 10 0 DCAELO CCOCC[N@H+]1CCN(C(=O)CCCS(C)(=O)=O)C[C@@H]1C ZINC000117275607 519913650 /nfs/dbraw/zinc/91/36/50/519913650.db2.gz COSBQOPWJLHHMZ-ZDUSSCGKSA-N 1 2 320.455 0.380 10 0 DCAELO CCN(C)C(=O)[C@@H](C)NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000187979370 520194828 /nfs/dbraw/zinc/19/48/28/520194828.db2.gz PZVGSHXNIFOBPC-OLZOCXBDSA-N 1 2 307.398 0.924 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)c2cnn(-c3ccc(F)cc3)n2)C1 ZINC000157666173 523951466 /nfs/dbraw/zinc/95/14/66/523951466.db2.gz NDCKUUQZBWNJTK-CYBMUJFWSA-N 1 2 319.340 0.467 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)c2cnn(-c3ccc(F)cc3)n2)C1 ZINC000157666173 523951469 /nfs/dbraw/zinc/95/14/69/523951469.db2.gz NDCKUUQZBWNJTK-CYBMUJFWSA-N 1 2 319.340 0.467 10 0 DCAELO CN1C[C@@H](NC(=O)N2CCC(n3cc[nH+]c3)CC2)CCC1=O ZINC000162908007 524009998 /nfs/dbraw/zinc/00/99/98/524009998.db2.gz MKOYKXUWUWNDRS-LBPRGKRZSA-N 1 2 305.382 0.850 10 0 DCAELO C[C@H]1CN(C(=O)c2cc(C(N)=O)cs2)C[C@H]1[NH+]1CCOCC1 ZINC000266264474 524522898 /nfs/dbraw/zinc/52/28/98/524522898.db2.gz YNGDOGPULLTEMW-CMPLNLGQSA-N 1 2 323.418 0.640 10 0 DCAELO C[C@H](CS(C)(=O)=O)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000176510792 524601442 /nfs/dbraw/zinc/60/14/42/524601442.db2.gz WMLRPQDFZNDLSV-LLVKDONJSA-N 1 2 322.390 0.564 10 0 DCAELO CC(=O)NC1(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)CCCCC1 ZINC000152407981 526692675 /nfs/dbraw/zinc/69/26/75/526692675.db2.gz KJCMMTFPKRDBNS-ZIAGYGMSSA-N 1 2 309.410 0.367 10 0 DCAELO CC(=O)NC1(C(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)CCCCC1 ZINC000152407981 526692681 /nfs/dbraw/zinc/69/26/81/526692681.db2.gz KJCMMTFPKRDBNS-ZIAGYGMSSA-N 1 2 309.410 0.367 10 0 DCAELO Cn1nccc1CCC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000126716198 527601275 /nfs/dbraw/zinc/60/12/75/527601275.db2.gz DQUQNGVXHKOIJT-HNNXBMFYSA-N 1 2 306.410 0.676 10 0 DCAELO CCOCCNC(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC000276559662 528770817 /nfs/dbraw/zinc/77/08/17/528770817.db2.gz SLWWQFHAXDUWPD-ZDUSSCGKSA-N 1 2 307.398 0.729 10 0 DCAELO CCOCCNC(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000276559662 528770825 /nfs/dbraw/zinc/77/08/25/528770825.db2.gz SLWWQFHAXDUWPD-ZDUSSCGKSA-N 1 2 307.398 0.729 10 0 DCAELO CC(C)C[C@@H](C)OCCC(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000133112391 545797674 /nfs/dbraw/zinc/79/76/74/545797674.db2.gz AQCCOMMBGJVKDS-HUUCEWRRSA-N 1 2 316.442 0.637 10 0 DCAELO CCOc1cnc(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)cn1 ZINC000189935883 545922498 /nfs/dbraw/zinc/92/24/98/545922498.db2.gz YCMVAHDMQIHOGB-JSGCOSHPSA-N 1 2 320.393 0.668 10 0 DCAELO C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)[C@]2(O)CCSC2)C1 ZINC000275510620 545993754 /nfs/dbraw/zinc/99/37/54/545993754.db2.gz AXOCGFKKVHTHIK-DOMZBBRYSA-N 1 2 322.434 0.377 10 0 DCAELO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)[C@]2(O)CCSC2)C1 ZINC000275510620 545993759 /nfs/dbraw/zinc/99/37/59/545993759.db2.gz AXOCGFKKVHTHIK-DOMZBBRYSA-N 1 2 322.434 0.377 10 0 DCAELO CCCNC(=O)CCCC(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000179515446 658636862 /nfs/dbraw/zinc/63/68/62/658636862.db2.gz CMBWLODCOODPIN-ZDUSSCGKSA-N 1 2 300.399 0.947 10 0 DCAELO CO[C@H](C(=O)N1CCC[C@H]1Cn1cc[nH+]c1)c1cnn(C)c1 ZINC000282868302 659660654 /nfs/dbraw/zinc/66/06/54/659660654.db2.gz UVIBYUIXCRQFQR-KBPBESRZSA-N 1 2 303.366 0.995 10 0 DCAELO CC[S@@](=O)CCNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000735112272 666954777 /nfs/dbraw/zinc/95/47/77/666954777.db2.gz UIRWYDYGZFUHIJ-OAQYLSRUSA-N 1 2 310.423 0.682 10 0 DCAELO Cn1cc([C@@H]2CC[N@H+](Cn3c4cnccc4n(C)c3=O)C2)cn1 ZINC000159950019 669945004 /nfs/dbraw/zinc/94/50/04/669945004.db2.gz ZCERBAVJYGNQAK-GFCCVEGCSA-N 1 2 312.377 0.916 10 0 DCAELO Cn1cc([C@@H]2CC[N@@H+](Cn3c4cnccc4n(C)c3=O)C2)cn1 ZINC000159950019 669945008 /nfs/dbraw/zinc/94/50/08/669945008.db2.gz ZCERBAVJYGNQAK-GFCCVEGCSA-N 1 2 312.377 0.916 10 0 DCAELO COC(=O)[C@@H]1CCC[N@H+](CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 ZINC000246935135 685168286 /nfs/dbraw/zinc/16/82/86/685168286.db2.gz DSTYLSCSFDVULH-JHJVBQTASA-N 1 2 306.362 0.780 10 0 DCAELO COC(=O)[C@@H]1CCC[N@@H+](CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 ZINC000246935135 685168290 /nfs/dbraw/zinc/16/82/90/685168290.db2.gz DSTYLSCSFDVULH-JHJVBQTASA-N 1 2 306.362 0.780 10 0 DCAELO CCCC[C@H]1NC(=O)N(CN2CC[C@@H]([NH+]3CCOCC3)C2)C1=O ZINC000247251845 685171168 /nfs/dbraw/zinc/17/11/68/685171168.db2.gz YWYAEAJRIOWDQB-ZIAGYGMSSA-N 1 2 324.425 0.461 10 0 DCAELO CCCC[C@H]1NC(=O)N(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)C1=O ZINC000247251845 685171169 /nfs/dbraw/zinc/17/11/69/685171169.db2.gz YWYAEAJRIOWDQB-ZIAGYGMSSA-N 1 2 324.425 0.461 10 0 DCAELO CCCC[C@H]1NC(=O)N(C[N@H+]2CC[C@@H](N3CCOCC3)C2)C1=O ZINC000247251845 685171170 /nfs/dbraw/zinc/17/11/70/685171170.db2.gz YWYAEAJRIOWDQB-ZIAGYGMSSA-N 1 2 324.425 0.461 10 0 DCAELO NC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2N)CC1 ZINC000040331859 1157394817 /nfs/dbraw/zinc/39/48/17/1157394817.db2.gz BBIIAHFMFUAUSY-UHFFFAOYSA-N 1 2 310.785 0.555 10 0 DCAELO NC(=O)C[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2N)CC1 ZINC000040331859 1157394823 /nfs/dbraw/zinc/39/48/23/1157394823.db2.gz BBIIAHFMFUAUSY-UHFFFAOYSA-N 1 2 310.785 0.555 10 0 DCAELO O=C(NCCn1cnccc1=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000585238290 1158110869 /nfs/dbraw/zinc/11/08/69/1158110869.db2.gz XZNWJXXJAWUJBA-UHFFFAOYSA-N 1 2 323.356 0.918 10 0 DCAELO Cc1ncc(C[N@H+](C)CC(=O)N2CCC[C@@H](C(N)=O)C2)s1 ZINC000076744640 185037940 /nfs/dbraw/zinc/03/79/40/185037940.db2.gz WRQLCJATQWOUKN-LLVKDONJSA-N 1 2 310.423 0.607 10 0 DCAELO Cc1ncc(C[N@@H+](C)CC(=O)N2CCC[C@@H](C(N)=O)C2)s1 ZINC000076744640 185037942 /nfs/dbraw/zinc/03/79/42/185037942.db2.gz WRQLCJATQWOUKN-LLVKDONJSA-N 1 2 310.423 0.607 10 0 DCAELO C[C@@H](CNC(=O)Cn1c(=O)[nH]c2ccccc21)Cn1cc[nH+]c1 ZINC000081800804 192327222 /nfs/dbraw/zinc/32/72/22/192327222.db2.gz UDNPWGVDRIXRKB-LBPRGKRZSA-N 1 2 313.361 0.979 10 0 DCAELO CN1CCO[C@H](CN(CC2CC2)C(=O)NCCn2cc[nH+]c2)C1 ZINC000276107090 529788451 /nfs/dbraw/zinc/78/84/51/529788451.db2.gz WVEBDTWWTVENMD-HNNXBMFYSA-N 1 2 321.425 0.635 10 0 DCAELO C[C@H]1CN(C(=O)c2ccc3n[nH]nc3c2)C[C@H]1[NH+]1CCOCC1 ZINC000173973437 290774296 /nfs/dbraw/zinc/77/42/96/290774296.db2.gz HUFQETAETSPBFZ-XHDPSFHLSA-N 1 2 315.377 0.751 10 0 DCAELO Cc1cc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)ccc1-n1cncn1 ZINC000173338244 186178293 /nfs/dbraw/zinc/17/82/93/186178293.db2.gz BWTSIBDKLDCNDD-CQSZACIVSA-N 1 2 315.377 0.636 10 0 DCAELO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)ccc1-n1cncn1 ZINC000173338244 186178295 /nfs/dbraw/zinc/17/82/95/186178295.db2.gz BWTSIBDKLDCNDD-CQSZACIVSA-N 1 2 315.377 0.636 10 0 DCAELO Cc1nn(C)c(C)c1CC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000253394511 186304327 /nfs/dbraw/zinc/30/43/27/186304327.db2.gz JMKRRZVGNIKMSM-HUUCEWRRSA-N 1 2 306.410 0.511 10 0 DCAELO Cc1nn(C)c(C)c1CC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000253394511 186304329 /nfs/dbraw/zinc/30/43/29/186304329.db2.gz JMKRRZVGNIKMSM-HUUCEWRRSA-N 1 2 306.410 0.511 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc4oc(=O)[nH]c4c3)C[C@H]21 ZINC000286885532 283027525 /nfs/dbraw/zinc/02/75/25/283027525.db2.gz DOMXTVLXWQOFQL-OCCSQVGLSA-N 1 2 317.345 0.666 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc4oc(=O)[nH]c4c3)C[C@H]21 ZINC000286885532 283027530 /nfs/dbraw/zinc/02/75/30/283027530.db2.gz DOMXTVLXWQOFQL-OCCSQVGLSA-N 1 2 317.345 0.666 10 0 DCAELO COc1cc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)cc(OC)c1OC ZINC000074773265 191357845 /nfs/dbraw/zinc/35/78/45/191357845.db2.gz GAONINYKWPEGKT-GFCCVEGCSA-N 1 2 324.377 0.773 10 0 DCAELO COc1cc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc(OC)c1OC ZINC000074773265 191357849 /nfs/dbraw/zinc/35/78/49/191357849.db2.gz GAONINYKWPEGKT-GFCCVEGCSA-N 1 2 324.377 0.773 10 0 DCAELO C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)[C@H](C)c1cnn(C)c1 ZINC000180337751 199147344 /nfs/dbraw/zinc/14/73/44/199147344.db2.gz VJOJVWFCMYMNOW-CHWSQXEVSA-N 1 2 309.414 0.843 10 0 DCAELO Cc1cnn(C[C@H]2CN(CCC[NH+]3CCOCC3)CCO2)c1 ZINC000173695285 237165840 /nfs/dbraw/zinc/16/58/40/237165840.db2.gz IFZITJDCWAZSKW-MRXNPFEDSA-N 1 2 308.426 0.615 10 0 DCAELO Cc1ccc(F)cc1S(=O)(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000188723610 200294189 /nfs/dbraw/zinc/29/41/89/200294189.db2.gz UMUBLMDHMURPJD-GFCCVEGCSA-N 1 2 316.398 0.821 10 0 DCAELO Cc1ccc(F)cc1S(=O)(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000188723610 200294190 /nfs/dbraw/zinc/29/41/90/200294190.db2.gz UMUBLMDHMURPJD-GFCCVEGCSA-N 1 2 316.398 0.821 10 0 DCAELO Cc1nn(C)c(C)c1C(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000276623837 238323934 /nfs/dbraw/zinc/32/39/34/238323934.db2.gz KBBZESCLHYBOLD-CYBMUJFWSA-N 1 2 316.409 0.899 10 0 DCAELO Cc1c(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)cnn1C(C)C ZINC000092277396 193183713 /nfs/dbraw/zinc/18/37/13/193183713.db2.gz UGHBWTSKYISYQI-CYBMUJFWSA-N 1 2 310.398 0.195 10 0 DCAELO CN1CCN(c2cc(NC[C@H]3CCCC[C@H]3O)[nH+]cn2)CC1=O ZINC000274884460 212008694 /nfs/dbraw/zinc/00/86/94/212008694.db2.gz IENRGMBASMDSJM-CHWSQXEVSA-N 1 2 319.409 0.718 10 0 DCAELO CN1CCN(c2cc(NC[C@H]3CCCC[C@H]3O)nc[nH+]2)CC1=O ZINC000274884460 212008697 /nfs/dbraw/zinc/00/86/97/212008697.db2.gz IENRGMBASMDSJM-CHWSQXEVSA-N 1 2 319.409 0.718 10 0 DCAELO C[C@@H]1CN(c2ccc(CNC(=O)NCCO)c[nH+]2)C[C@@H](C)O1 ZINC000042874059 183315961 /nfs/dbraw/zinc/31/59/61/183315961.db2.gz VOSSJGBTIPSVSM-VXGBXAGGSA-N 1 2 308.382 0.487 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H](O)c2cccc(F)c2)C1 ZINC000104798726 194041804 /nfs/dbraw/zinc/04/18/04/194041804.db2.gz OVQSVHKVZBXMEY-KGLIPLIRSA-N 1 2 311.357 0.489 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)NC[C@H](O)c2cccc(F)c2)C1 ZINC000104798726 194041806 /nfs/dbraw/zinc/04/18/06/194041806.db2.gz OVQSVHKVZBXMEY-KGLIPLIRSA-N 1 2 311.357 0.489 10 0 DCAELO Cc1cnn([C@H]2CCC[N@@H+](Cc3nc(N)nc(N(C)C)n3)C2)c1 ZINC000106222803 194190623 /nfs/dbraw/zinc/19/06/23/194190623.db2.gz SGLJUIYVHVIWAY-LBPRGKRZSA-N 1 2 316.413 0.862 10 0 DCAELO Cc1cnn([C@H]2CCC[N@H+](Cc3nc(N)nc(N(C)C)n3)C2)c1 ZINC000106222803 194190626 /nfs/dbraw/zinc/19/06/26/194190626.db2.gz SGLJUIYVHVIWAY-LBPRGKRZSA-N 1 2 316.413 0.862 10 0 DCAELO C[C@H]1C(=O)NCCN1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000106529222 194225405 /nfs/dbraw/zinc/22/54/05/194225405.db2.gz ARPOTFMUIOGSET-NSHDSACASA-N 1 2 314.349 0.297 10 0 DCAELO CC(C)NC(=O)C(=O)N1CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000110124213 194311123 /nfs/dbraw/zinc/31/11/23/194311123.db2.gz MGISOBGJZKITKG-UHFFFAOYSA-N 1 2 317.393 0.527 10 0 DCAELO CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CCCN1c1nccs1 ZINC000110690200 194350149 /nfs/dbraw/zinc/35/01/49/194350149.db2.gz BXBHJYFGARQKDA-ZDUSSCGKSA-N 1 2 324.450 0.903 10 0 DCAELO O=C1NC[C@H]2C[N@H+]([C@@H]3CCc4ccc(F)cc43)CCN2C1=O ZINC000248182096 296384543 /nfs/dbraw/zinc/38/45/43/296384543.db2.gz WPFNADDYQUZSKF-GXTWGEPZSA-N 1 2 303.337 0.456 10 0 DCAELO O=C1NC[C@H]2C[N@@H+]([C@@H]3CCc4ccc(F)cc43)CCN2C1=O ZINC000248182096 296384545 /nfs/dbraw/zinc/38/45/45/296384545.db2.gz WPFNADDYQUZSKF-GXTWGEPZSA-N 1 2 303.337 0.456 10 0 DCAELO CC(=O)c1ccc(CC(=O)N[C@H](CO)C[NH+]2CCOCC2)cc1 ZINC000351485308 254338394 /nfs/dbraw/zinc/33/83/94/254338394.db2.gz YNWRGHYXMMLJED-INIZCTEOSA-N 1 2 320.389 0.241 10 0 DCAELO CS(=O)(=O)N1CC[C@H]([NH+]2CCOCC2)[C@H]1Cc1ccccc1 ZINC000247496624 257119468 /nfs/dbraw/zinc/11/94/68/257119468.db2.gz DFAXKZPOAVDUQA-JKSUJKDBSA-N 1 2 324.446 0.964 10 0 DCAELO COC(=O)C1CCC(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CC1 ZINC000179924760 533273468 /nfs/dbraw/zinc/27/34/68/533273468.db2.gz CFPIUZCAMLDLQV-YMAMQOFZSA-N 1 2 324.421 0.899 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3ccc4c(c3)OCO4)C[C@@H]21 ZINC000284091681 131048507 /nfs/dbraw/zinc/04/85/07/131048507.db2.gz NAVILKNXNUVLRG-KBPBESRZSA-N 1 2 318.373 0.889 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)Cc3ccc4c(c3)OCO4)C[C@@H]21 ZINC000284091681 131048508 /nfs/dbraw/zinc/04/85/08/131048508.db2.gz NAVILKNXNUVLRG-KBPBESRZSA-N 1 2 318.373 0.889 10 0 DCAELO Cc1ccccc1NC(=O)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000041600504 395738646 /nfs/dbraw/zinc/73/86/46/395738646.db2.gz MNMZULJNYHSZJZ-ZDUSSCGKSA-N 1 2 305.378 0.770 10 0 DCAELO Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000105923003 395781350 /nfs/dbraw/zinc/78/13/50/395781350.db2.gz GGJKEGNTKCIFOB-LBPRGKRZSA-N 1 2 303.370 0.894 10 0 DCAELO Cc1n[nH]c(C)c1NC(=O)C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000105923003 395781354 /nfs/dbraw/zinc/78/13/54/395781354.db2.gz GGJKEGNTKCIFOB-LBPRGKRZSA-N 1 2 303.370 0.894 10 0 DCAELO CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCOC[C@@]23CCOC3)C1 ZINC000193718731 395777519 /nfs/dbraw/zinc/77/75/19/395777519.db2.gz BTYVOKLFKROPFT-KBPBESRZSA-N 1 2 318.439 0.149 10 0 DCAELO CS(=O)(=O)N1CCC[C@@H](C[N@H+]2CCOC[C@@]23CCOC3)C1 ZINC000193718731 395777520 /nfs/dbraw/zinc/77/75/20/395777520.db2.gz BTYVOKLFKROPFT-KBPBESRZSA-N 1 2 318.439 0.149 10 0 DCAELO CC[C@@H](C)NC(=O)C[NH+]1CCN(Cc2nnnn2C(C)C)CC1 ZINC000195058954 395814919 /nfs/dbraw/zinc/81/49/19/395814919.db2.gz PDTWOIVKKVRUNL-CYBMUJFWSA-N 1 2 323.445 0.286 10 0 DCAELO COC(=O)CNC(=O)C[NH+]1CCC(c2nc(C)cs2)CC1 ZINC000195443381 395827348 /nfs/dbraw/zinc/82/73/48/395827348.db2.gz YDDPGFGRKYVLJX-UHFFFAOYSA-N 1 2 311.407 0.920 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)NCCC(=O)Nc2ccccc2)C1 ZINC000113389322 395829968 /nfs/dbraw/zinc/82/99/68/395829968.db2.gz SZJRCNGZJGFYBN-AWEZNQCLSA-N 1 2 320.393 0.645 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)NCCC(=O)Nc2ccccc2)C1 ZINC000113389322 395829971 /nfs/dbraw/zinc/82/99/71/395829971.db2.gz SZJRCNGZJGFYBN-AWEZNQCLSA-N 1 2 320.393 0.645 10 0 DCAELO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccc2n[nH]nc2c1 ZINC000115164219 395838258 /nfs/dbraw/zinc/83/82/58/395838258.db2.gz HQYWTRBOWSIRIQ-GFCCVEGCSA-N 1 2 301.350 0.551 10 0 DCAELO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1ccc2n[nH]nc2c1 ZINC000115164219 395838259 /nfs/dbraw/zinc/83/82/59/395838259.db2.gz HQYWTRBOWSIRIQ-GFCCVEGCSA-N 1 2 301.350 0.551 10 0 DCAELO Cc1noc([C@@H](C)[NH+]2CCN(c3ncnc4nc[nH]c43)CC2)n1 ZINC000108947711 395795031 /nfs/dbraw/zinc/79/50/31/395795031.db2.gz JWDBRYVWGPHQGF-SECBINFHSA-N 1 2 314.353 0.928 10 0 DCAELO Cc1cnn(CCNC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)c1 ZINC000118072534 395858063 /nfs/dbraw/zinc/85/80/63/395858063.db2.gz ADJGKRHGWFYNCP-KBPBESRZSA-N 1 2 309.414 0.600 10 0 DCAELO Cc1cnc(N2CC[NH+](CC(=O)N3CCOCC3)CC2)nc1C ZINC000270720106 395801055 /nfs/dbraw/zinc/80/10/55/395801055.db2.gz QYJWHWDUVAZRDN-UHFFFAOYSA-N 1 2 319.409 0.074 10 0 DCAELO COC(=O)C1CCN(C(=O)[C@@H](C)[NH+]2CCN(C3CC3)CC2)CC1 ZINC000125865757 395906356 /nfs/dbraw/zinc/90/63/56/395906356.db2.gz ZIQZXARAUXGEAM-CYBMUJFWSA-N 1 2 323.437 0.567 10 0 DCAELO COc1c(C[NH+]2CCN(c3cnn(C)c3)CC2)c(C)nn1C ZINC000126100637 395909537 /nfs/dbraw/zinc/90/95/37/395909537.db2.gz JOGCNAMWBRSVPM-UHFFFAOYSA-N 1 2 304.398 0.793 10 0 DCAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1cc(F)cc2[nH]cnc21 ZINC000129396048 395919721 /nfs/dbraw/zinc/91/97/21/395919721.db2.gz CSJNAXBMQAELQR-LLVKDONJSA-N 1 2 322.340 0.125 10 0 DCAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1cc(F)cc2nc[nH]c21 ZINC000129396048 395919724 /nfs/dbraw/zinc/91/97/24/395919724.db2.gz CSJNAXBMQAELQR-LLVKDONJSA-N 1 2 322.340 0.125 10 0 DCAELO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC(=O)NC1CCOCC1 ZINC000248889319 395999576 /nfs/dbraw/zinc/99/95/76/395999576.db2.gz YJHWSQAXUZAOQK-WHOFXGATSA-N 1 2 310.394 0.555 10 0 DCAELO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CC(=O)NC1CCOCC1 ZINC000248889319 395999578 /nfs/dbraw/zinc/99/95/78/395999578.db2.gz YJHWSQAXUZAOQK-WHOFXGATSA-N 1 2 310.394 0.555 10 0 DCAELO C[C@H](C(=O)NC1CCC(C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000246397436 395948608 /nfs/dbraw/zinc/94/86/08/395948608.db2.gz IOHXFZHMJAFHJN-QNOVJUQQSA-N 1 2 311.426 0.644 10 0 DCAELO C[C@H](C(=O)NC1CCC(C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000246397436 395948611 /nfs/dbraw/zinc/94/86/11/395948611.db2.gz IOHXFZHMJAFHJN-QNOVJUQQSA-N 1 2 311.426 0.644 10 0 DCAELO C[C@H](CNC(=O)N(C)CCCn1cc[nH+]c1)N1CCOCC1 ZINC000137072821 395950167 /nfs/dbraw/zinc/95/01/67/395950167.db2.gz XRANKJFRLUDJQN-CQSZACIVSA-N 1 2 309.414 0.635 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)N[C@@H](CO)Cc2ccccc2)C1 ZINC000246465732 395950704 /nfs/dbraw/zinc/95/07/04/395950704.db2.gz PZMQUPKJWXPKME-CABCVRRESA-N 1 2 307.394 0.220 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)N[C@@H](CO)Cc2ccccc2)C1 ZINC000246465732 395950705 /nfs/dbraw/zinc/95/07/05/395950705.db2.gz PZMQUPKJWXPKME-CABCVRRESA-N 1 2 307.394 0.220 10 0 DCAELO CC(C)OCCS(=O)(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000246609926 395954241 /nfs/dbraw/zinc/95/42/41/395954241.db2.gz WSRRWTULHJAHDE-ZIAGYGMSSA-N 1 2 320.455 0.394 10 0 DCAELO CC(=O)NC[C@H]1C[N@H+](C[C@H](O)COc2ccc(C)cc2)CCO1 ZINC000246668189 395955630 /nfs/dbraw/zinc/95/56/30/395955630.db2.gz HPFOFWMEWJCUDE-RDJZCZTQSA-N 1 2 322.405 0.572 10 0 DCAELO CC(=O)NC[C@H]1C[N@@H+](C[C@H](O)COc2ccc(C)cc2)CCO1 ZINC000246668189 395955634 /nfs/dbraw/zinc/95/56/34/395955634.db2.gz HPFOFWMEWJCUDE-RDJZCZTQSA-N 1 2 322.405 0.572 10 0 DCAELO CC(C)S(=O)(=O)CCCN1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000246817513 395958429 /nfs/dbraw/zinc/95/84/29/395958429.db2.gz YWWSTERDMHAUPW-KBPBESRZSA-N 1 2 306.472 0.587 10 0 DCAELO CC(C)S(=O)(=O)CCCN1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000246817513 395958432 /nfs/dbraw/zinc/95/84/32/395958432.db2.gz YWWSTERDMHAUPW-KBPBESRZSA-N 1 2 306.472 0.587 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)Nc2ccc(-n3ccnn3)cc2)C1 ZINC000150828391 395973654 /nfs/dbraw/zinc/97/36/54/395973654.db2.gz ZMPPYFJJXLHOFS-CQSZACIVSA-N 1 2 316.365 0.719 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)Nc2ccc(-n3ccnn3)cc2)C1 ZINC000150828391 395973655 /nfs/dbraw/zinc/97/36/55/395973655.db2.gz ZMPPYFJJXLHOFS-CQSZACIVSA-N 1 2 316.365 0.719 10 0 DCAELO CCC(=O)N1CC[C@@H](C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000151228712 395982130 /nfs/dbraw/zinc/98/21/30/395982130.db2.gz FUZLWXWOMOVEBK-ZIAGYGMSSA-N 1 2 309.410 0.178 10 0 DCAELO CCOC(=O)[C@H](CC(C)C)[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000248442502 395988194 /nfs/dbraw/zinc/98/81/94/395988194.db2.gz VLLWAAJVPDISSX-NEPJUHHUSA-N 1 2 306.428 0.588 10 0 DCAELO CCOC(=O)[C@H](CC(C)C)[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000248442502 395988196 /nfs/dbraw/zinc/98/81/96/395988196.db2.gz VLLWAAJVPDISSX-NEPJUHHUSA-N 1 2 306.428 0.588 10 0 DCAELO COCCC(=O)N[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000065212740 395991343 /nfs/dbraw/zinc/99/13/43/395991343.db2.gz ZRMASRBEAXFBFI-CYBMUJFWSA-N 1 2 320.393 0.271 10 0 DCAELO COc1cc(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)ccc1C ZINC000154157534 396032737 /nfs/dbraw/zinc/03/27/37/396032737.db2.gz SZUOAWIHNWPRJF-CQSZACIVSA-N 1 2 308.378 0.427 10 0 DCAELO Cc1ccc(SCC(=O)NC[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000154144419 396032778 /nfs/dbraw/zinc/03/27/78/396032778.db2.gz WHSZACULQNZVKP-AWEZNQCLSA-N 1 2 324.446 0.896 10 0 DCAELO Cc1ccc(S(N)(=O)=O)c(C(=O)N2CC[NH+](C3CC3)CC2)c1 ZINC000155085977 396047108 /nfs/dbraw/zinc/04/71/08/396047108.db2.gz WPFRHEUIQDUZPV-UHFFFAOYSA-N 1 2 323.418 0.563 10 0 DCAELO C[S@](=O)CCC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000155790632 396057561 /nfs/dbraw/zinc/05/75/61/396057561.db2.gz IHUMPHNKXMOREM-ZUOKHONESA-N 1 2 302.440 0.468 10 0 DCAELO C[C@@H](c1nnnn1C)[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000249266091 396004802 /nfs/dbraw/zinc/00/48/02/396004802.db2.gz IMXSDROBYTWUPI-RYUDHWBXSA-N 1 2 302.386 0.662 10 0 DCAELO C[C@@H](c1nnnn1C)[N@@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000249266091 396004803 /nfs/dbraw/zinc/00/48/03/396004803.db2.gz IMXSDROBYTWUPI-RYUDHWBXSA-N 1 2 302.386 0.662 10 0 DCAELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CCNS(C)(=O)=O ZINC000170958255 396102409 /nfs/dbraw/zinc/10/24/09/396102409.db2.gz NPZDLSKBTLZZKM-SRVKXCTJSA-N 1 2 304.412 0.342 10 0 DCAELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CCNS(C)(=O)=O ZINC000170958255 396102410 /nfs/dbraw/zinc/10/24/10/396102410.db2.gz NPZDLSKBTLZZKM-SRVKXCTJSA-N 1 2 304.412 0.342 10 0 DCAELO Cn1ncc2c1nc(N1CC[C@](O)(C(F)(F)F)C1)[nH+]c2N ZINC000278160795 396109821 /nfs/dbraw/zinc/10/98/21/396109821.db2.gz CBJJMVWQCXWRFE-SNVBAGLBSA-N 1 2 302.260 0.449 10 0 DCAELO Cc1ccc(-n2cc(C(=O)NC[C@H]3C[N@H+](C)CCO3)nn2)cc1 ZINC000171287574 396112959 /nfs/dbraw/zinc/11/29/59/396112959.db2.gz UDYUHSYHKYFDAY-AWEZNQCLSA-N 1 2 315.377 0.636 10 0 DCAELO Cc1ccc(-n2cc(C(=O)NC[C@H]3C[N@@H+](C)CCO3)nn2)cc1 ZINC000171287574 396112962 /nfs/dbraw/zinc/11/29/62/396112962.db2.gz UDYUHSYHKYFDAY-AWEZNQCLSA-N 1 2 315.377 0.636 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)Nc2cc(C(N)=O)ccc2F)C1 ZINC000171705804 396122218 /nfs/dbraw/zinc/12/22/18/396122218.db2.gz YRLVNNKUOXOVSN-JTQLQIEISA-N 1 2 310.329 0.377 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)Nc2cc(C(N)=O)ccc2F)C1 ZINC000171705804 396122221 /nfs/dbraw/zinc/12/22/21/396122221.db2.gz YRLVNNKUOXOVSN-JTQLQIEISA-N 1 2 310.329 0.377 10 0 DCAELO CCNS(=O)(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000178696199 396204994 /nfs/dbraw/zinc/20/49/94/396204994.db2.gz YDBQNSVSRXJICA-AWEZNQCLSA-N 1 2 313.423 0.192 10 0 DCAELO CCCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263222549 396206712 /nfs/dbraw/zinc/20/67/12/396206712.db2.gz MDQBUKHWRGESMY-GHMZBOCLSA-N 1 2 303.353 0.891 10 0 DCAELO O=S(=O)(NC1CCCC1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000279276805 396162834 /nfs/dbraw/zinc/16/28/34/396162834.db2.gz NYSZKSSUYJUEJS-UHFFFAOYSA-N 1 2 324.450 0.976 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)c2cccnc2)C[C@@H]1[NH+]1CCOCC1 ZINC000176996604 396164320 /nfs/dbraw/zinc/16/43/20/396164320.db2.gz DRKKBNTUCUSAGX-OCCSQVGLSA-N 1 2 311.407 0.423 10 0 DCAELO CN(C)c1nc(N)nc(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)n1 ZINC000178835496 396210686 /nfs/dbraw/zinc/21/06/86/396210686.db2.gz GLUTYHOQCYGSAP-SNVBAGLBSA-N 1 2 322.413 0.683 10 0 DCAELO CN(C)c1nc(N)nc(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)n1 ZINC000178835496 396210688 /nfs/dbraw/zinc/21/06/88/396210688.db2.gz GLUTYHOQCYGSAP-SNVBAGLBSA-N 1 2 322.413 0.683 10 0 DCAELO C[C@H]1CN(CC(=O)Nc2nccs2)C[C@@H]1[NH+]1CCOCC1 ZINC000177224282 396170079 /nfs/dbraw/zinc/17/00/79/396170079.db2.gz BGGHOOKJOCWDHZ-RYUDHWBXSA-N 1 2 310.423 0.734 10 0 DCAELO C[C@H]1C[N@H+](CC(=O)Nc2nccs2)C[C@@H]1N1CCOCC1 ZINC000177224282 396170081 /nfs/dbraw/zinc/17/00/81/396170081.db2.gz BGGHOOKJOCWDHZ-RYUDHWBXSA-N 1 2 310.423 0.734 10 0 DCAELO C[C@H]1C[N@@H+](CC(=O)Nc2nccs2)C[C@@H]1N1CCOCC1 ZINC000177224282 396170082 /nfs/dbraw/zinc/17/00/82/396170082.db2.gz BGGHOOKJOCWDHZ-RYUDHWBXSA-N 1 2 310.423 0.734 10 0 DCAELO O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263286082 396211381 /nfs/dbraw/zinc/21/13/81/396211381.db2.gz UZCXCUPYGSAVMU-RQJHMYQMSA-N 1 2 315.242 0.263 10 0 DCAELO CN(CC[NH+]1CCOCC1)C(=O)NCCCc1ccccn1 ZINC000178434612 396195899 /nfs/dbraw/zinc/19/58/99/396195899.db2.gz GKVDYBLTKLQTIK-UHFFFAOYSA-N 1 2 306.410 0.988 10 0 DCAELO O=C(NCc1ccccc1OCCO)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263296027 396212203 /nfs/dbraw/zinc/21/22/03/396212203.db2.gz WHSSMHVBZWZPKN-NSHDSACASA-N 1 2 300.305 0.671 10 0 DCAELO CC(=O)N[C@H]1CCCN(C(=O)NC[C@@H](C)[NH+]2CCOCC2)C1 ZINC000079252479 396263409 /nfs/dbraw/zinc/26/34/09/396263409.db2.gz MTSZUQTUYUGBNS-OCCSQVGLSA-N 1 2 312.414 0.017 10 0 DCAELO O=C(C[N@H+]1C[C@H](O)C[C@@H]1CO)Nc1nc2ccccc2s1 ZINC000179171487 396223274 /nfs/dbraw/zinc/22/32/74/396223274.db2.gz YTQRGVRQOBVYNN-NXEZZACHSA-N 1 2 307.375 0.662 10 0 DCAELO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1CO)Nc1nc2ccccc2s1 ZINC000179171487 396223277 /nfs/dbraw/zinc/22/32/77/396223277.db2.gz YTQRGVRQOBVYNN-NXEZZACHSA-N 1 2 307.375 0.662 10 0 DCAELO CNC(=O)[C@@H]1CCCN1C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000179273493 396225162 /nfs/dbraw/zinc/22/51/62/396225162.db2.gz XPYPZTXFGFDDDD-AGIUHOORSA-N 1 2 312.414 0.016 10 0 DCAELO Cn1cc(-c2cc(C[N@@H+]3CCN4C(=O)NC[C@H]4C3)on2)cn1 ZINC000185020389 396313931 /nfs/dbraw/zinc/31/39/31/396313931.db2.gz QZQRIXHZEOIPDB-NSHDSACASA-N 1 2 302.338 0.285 10 0 DCAELO Cn1cc(-c2cc(C[N@H+]3CCN4C(=O)NC[C@H]4C3)on2)cn1 ZINC000185020389 396313935 /nfs/dbraw/zinc/31/39/35/396313935.db2.gz QZQRIXHZEOIPDB-NSHDSACASA-N 1 2 302.338 0.285 10 0 DCAELO C[C@@H](NC(N)=O)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000283194278 396317848 /nfs/dbraw/zinc/31/78/48/396317848.db2.gz FZVLIEMVMSAYMI-VXGBXAGGSA-N 1 2 319.409 0.982 10 0 DCAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@H]2COCCO2)CC1 ZINC000265335572 396308759 /nfs/dbraw/zinc/30/87/59/396308759.db2.gz UEUKOJBTJAFNGC-OAHLLOKOSA-N 1 2 322.409 0.097 10 0 DCAELO CN1C[C@@H](NC(=O)N2CC[NH+](Cc3ccco3)CC2)CCC1=O ZINC000265816162 396344349 /nfs/dbraw/zinc/34/43/49/396344349.db2.gz QWCZZNCMJUGHCI-ZDUSSCGKSA-N 1 2 320.393 0.728 10 0 DCAELO C[C@H]1CN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)CC(=O)N1C ZINC000283684044 396343319 /nfs/dbraw/zinc/34/33/19/396343319.db2.gz ZLKNKHUSGNVTJK-NWDGAFQWSA-N 1 2 305.382 0.105 10 0 DCAELO C[C@H]1CN(c2cc(N3CCC[C@@H]3CO)nc[nH+]2)CC(=O)N1C ZINC000283684044 396343321 /nfs/dbraw/zinc/34/33/21/396343321.db2.gz ZLKNKHUSGNVTJK-NWDGAFQWSA-N 1 2 305.382 0.105 10 0 DCAELO O=C1CCc2ccc(OC[C@H](O)C[NH+]3CCOCC3)cc2N1 ZINC000187354466 396367934 /nfs/dbraw/zinc/36/79/34/396367934.db2.gz FFQGJGUDFRJCFA-CYBMUJFWSA-N 1 2 306.362 0.643 10 0 DCAELO NC(=O)c1c[nH]c(C(=O)N2CCCN(c3cccc[nH+]3)CC2)c1 ZINC000186385826 396349430 /nfs/dbraw/zinc/34/94/30/396349430.db2.gz BTJZKZQSNNWUBR-UHFFFAOYSA-N 1 2 313.361 0.861 10 0 DCAELO C[C@H]1CN(C(=O)CSCc2ccccn2)CC[N@@H+]1CCO ZINC000188805091 396386422 /nfs/dbraw/zinc/38/64/22/396386422.db2.gz FXAMMUSIRRKABE-ZDUSSCGKSA-N 1 2 309.435 0.840 10 0 DCAELO C[C@H]1CN(C(=O)CSCc2ccccn2)CC[N@H+]1CCO ZINC000188805091 396386426 /nfs/dbraw/zinc/38/64/26/396386426.db2.gz FXAMMUSIRRKABE-ZDUSSCGKSA-N 1 2 309.435 0.840 10 0 DCAELO COc1ccnc(N2CC[NH+](C[C@@H](O)CC(F)(F)F)CC2)n1 ZINC000189127472 396391436 /nfs/dbraw/zinc/39/14/36/396391436.db2.gz ZLRGYMHMXORNGS-JTQLQIEISA-N 1 2 320.315 0.921 10 0 DCAELO C[C@@H]1C(=O)NCCC[N@H+]1CC(=O)N1CCc2ccccc2C1 ZINC000189291034 396392900 /nfs/dbraw/zinc/39/29/00/396392900.db2.gz YDUYCFBKXJGTJL-CYBMUJFWSA-N 1 2 301.390 0.782 10 0 DCAELO C[C@@H]1C(=O)NCCC[N@@H+]1CC(=O)N1CCc2ccccc2C1 ZINC000189291034 396392902 /nfs/dbraw/zinc/39/29/02/396392902.db2.gz YDUYCFBKXJGTJL-CYBMUJFWSA-N 1 2 301.390 0.782 10 0 DCAELO Cc1csc2nc(C[N@@H+]3CCCNC(=O)[C@H]3C)cc(=O)n12 ZINC000189317092 396393410 /nfs/dbraw/zinc/39/34/10/396393410.db2.gz CXCOYEPIXZSDAF-SNVBAGLBSA-N 1 2 306.391 0.775 10 0 DCAELO Cc1csc2nc(C[N@H+]3CCCNC(=O)[C@H]3C)cc(=O)n12 ZINC000189317092 396393412 /nfs/dbraw/zinc/39/34/12/396393412.db2.gz CXCOYEPIXZSDAF-SNVBAGLBSA-N 1 2 306.391 0.775 10 0 DCAELO COc1cnccc1[C@H](C)NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000189795920 396399335 /nfs/dbraw/zinc/39/93/35/396399335.db2.gz IIMKKSFLVVZYAN-NWDGAFQWSA-N 1 2 308.382 0.781 10 0 DCAELO COc1cnccc1[C@H](C)NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000189795920 396399338 /nfs/dbraw/zinc/39/93/38/396399338.db2.gz IIMKKSFLVVZYAN-NWDGAFQWSA-N 1 2 308.382 0.781 10 0 DCAELO COCCn1ccc(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)n1 ZINC000189811061 396400273 /nfs/dbraw/zinc/40/02/73/396400273.db2.gz RKQYTOLXSYSCOW-CYBMUJFWSA-N 1 2 308.382 0.123 10 0 DCAELO COCCn1ccc(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)n1 ZINC000189811061 396400275 /nfs/dbraw/zinc/40/02/75/396400275.db2.gz RKQYTOLXSYSCOW-CYBMUJFWSA-N 1 2 308.382 0.123 10 0 DCAELO CCCCCNC(=O)[C@@H](C)[N@@H+]1CCCN(CCOC)C(=O)C1 ZINC000190772222 396411313 /nfs/dbraw/zinc/41/13/13/396411313.db2.gz KMEVMLWEKRQLKT-CQSZACIVSA-N 1 2 313.442 0.862 10 0 DCAELO CCCCCNC(=O)[C@@H](C)[N@H+]1CCCN(CCOC)C(=O)C1 ZINC000190772222 396411314 /nfs/dbraw/zinc/41/13/14/396411314.db2.gz KMEVMLWEKRQLKT-CQSZACIVSA-N 1 2 313.442 0.862 10 0 DCAELO COCCN1CCC[N@@H+]([C@@H](C)C(=O)N2CCCCC2)CC1=O ZINC000190809208 396411959 /nfs/dbraw/zinc/41/19/59/396411959.db2.gz UOPIFMYZKHIKCN-AWEZNQCLSA-N 1 2 311.426 0.568 10 0 DCAELO COCCN1CCC[N@H+]([C@@H](C)C(=O)N2CCCCC2)CC1=O ZINC000190809208 396411962 /nfs/dbraw/zinc/41/19/62/396411962.db2.gz UOPIFMYZKHIKCN-AWEZNQCLSA-N 1 2 311.426 0.568 10 0 DCAELO CC(=O)N1CC(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000190976380 396413126 /nfs/dbraw/zinc/41/31/26/396413126.db2.gz WAQPGIZTHQLTAX-UHFFFAOYSA-N 1 2 302.378 0.645 10 0 DCAELO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CCCN(C)C(=O)C1 ZINC000191090038 396415308 /nfs/dbraw/zinc/41/53/08/396415308.db2.gz MJSIXHBQLUNPBY-OLZOCXBDSA-N 1 2 324.425 0.555 10 0 DCAELO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CCCN(C)C(=O)C1 ZINC000191090038 396415310 /nfs/dbraw/zinc/41/53/10/396415310.db2.gz MJSIXHBQLUNPBY-OLZOCXBDSA-N 1 2 324.425 0.555 10 0 DCAELO C[C@H]1C(=O)NCCCN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000191119689 396415848 /nfs/dbraw/zinc/41/58/48/396415848.db2.gz ZAWYLZJGXKAVJD-LBPRGKRZSA-N 1 2 312.414 0.017 10 0 DCAELO CCN1CN(C(=O)NCc2cccnc2-n2cc[nH+]c2)CC1=O ZINC000191894026 396426544 /nfs/dbraw/zinc/42/65/44/396426544.db2.gz VDPANFVYPJORSG-UHFFFAOYSA-N 1 2 314.349 0.599 10 0 DCAELO C[N@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000268974193 396379743 /nfs/dbraw/zinc/37/97/43/396379743.db2.gz OENSDNUCOUYWNS-QLFBSQMISA-N 1 2 322.430 0.778 10 0 DCAELO C[N@@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000268974193 396379745 /nfs/dbraw/zinc/37/97/45/396379745.db2.gz OENSDNUCOUYWNS-QLFBSQMISA-N 1 2 322.430 0.778 10 0 DCAELO C[C@@H]1C[C@@H](CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CCO1 ZINC000374285066 396652674 /nfs/dbraw/zinc/65/26/74/396652674.db2.gz RQJWKYKERSBWPR-ILXRZTDVSA-N 1 2 311.426 0.918 10 0 DCAELO CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000374103292 396639718 /nfs/dbraw/zinc/63/97/18/396639718.db2.gz ABEZBCXJNNQODN-HZSPNIEDSA-N 1 2 310.394 0.794 10 0 DCAELO CCOC(=O)[C@H]1CCCCN1C(=O)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000374103292 396639721 /nfs/dbraw/zinc/63/97/21/396639721.db2.gz ABEZBCXJNNQODN-HZSPNIEDSA-N 1 2 310.394 0.794 10 0 DCAELO Cc1noc(CCNC(=O)NCCc2cn3c([nH+]2)CCCC3)n1 ZINC000585830627 396661669 /nfs/dbraw/zinc/66/16/69/396661669.db2.gz OCEZKJMANPJGMX-UHFFFAOYSA-N 1 2 318.381 0.995 10 0 DCAELO CNS(=O)(=O)CCNc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000302533139 396720870 /nfs/dbraw/zinc/72/08/70/396720870.db2.gz FVENQIWPSHAOPR-UHFFFAOYSA-N 1 2 307.379 0.808 10 0 DCAELO Cn1ncc(C(=O)N(CC2CC2)C[C@H]2C[N@H+](C)CCO2)c1N ZINC000328632255 396826955 /nfs/dbraw/zinc/82/69/55/396826955.db2.gz LGGJRFMNBZCMGB-GFCCVEGCSA-N 1 2 307.398 0.185 10 0 DCAELO Cn1ncc(C(=O)N(CC2CC2)C[C@H]2C[N@@H+](C)CCO2)c1N ZINC000328632255 396826963 /nfs/dbraw/zinc/82/69/63/396826963.db2.gz LGGJRFMNBZCMGB-GFCCVEGCSA-N 1 2 307.398 0.185 10 0 DCAELO CCN1CCN(C(=O)[C@]2(O)CCSC2)C[C@@H]1c1[nH+]ccn1C ZINC000328630283 396827406 /nfs/dbraw/zinc/82/74/06/396827406.db2.gz PSSGRWKATDEEQF-DOMZBBRYSA-N 1 2 324.450 0.493 10 0 DCAELO CCN1CCN(C(=O)c2c[nH]c(C)n2)C[C@H]1c1[nH+]ccn1C ZINC000328644365 396829649 /nfs/dbraw/zinc/82/96/49/396829649.db2.gz ZETUXDYNCCVRSU-ZDUSSCGKSA-N 1 2 302.382 0.971 10 0 DCAELO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC000364902210 397247118 /nfs/dbraw/zinc/24/71/18/397247118.db2.gz NUFVAEKODGDULR-XQHKEYJVSA-N 1 2 301.408 0.695 10 0 DCAELO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC000364902210 397247120 /nfs/dbraw/zinc/24/71/20/397247120.db2.gz NUFVAEKODGDULR-XQHKEYJVSA-N 1 2 301.408 0.695 10 0 DCAELO Cc1nnc([C@@H]2CCCC[N@@H+]2CCN2C(=O)NC(C)(C)C2=O)[nH]1 ZINC000408466611 397357552 /nfs/dbraw/zinc/35/75/52/397357552.db2.gz JIWHCAWUSUYSRJ-NSHDSACASA-N 1 2 320.397 0.971 10 0 DCAELO Cc1nnc([C@@H]2CCCC[N@H+]2CCN2C(=O)NC(C)(C)C2=O)[nH]1 ZINC000408466611 397357558 /nfs/dbraw/zinc/35/75/58/397357558.db2.gz JIWHCAWUSUYSRJ-NSHDSACASA-N 1 2 320.397 0.971 10 0 DCAELO CC(=O)NC[C@@H]1CN(C(=O)Nc2ccc3[nH+]ccn3c2)CCO1 ZINC000606580112 397684077 /nfs/dbraw/zinc/68/40/77/397684077.db2.gz ANSHLADLPCCJAN-CYBMUJFWSA-N 1 2 317.349 0.703 10 0 DCAELO CO[C@H]1C[C@@H](C(N)=O)[N@H+](Cc2cccc3c2OCCCO3)C1 ZINC000284455154 286089874 /nfs/dbraw/zinc/08/98/74/286089874.db2.gz BXAFTZORBRGGNL-STQMWFEESA-N 1 2 306.362 0.923 10 0 DCAELO CO[C@H]1C[C@@H](C(N)=O)[N@@H+](Cc2cccc3c2OCCCO3)C1 ZINC000284455154 286089875 /nfs/dbraw/zinc/08/98/75/286089875.db2.gz BXAFTZORBRGGNL-STQMWFEESA-N 1 2 306.362 0.923 10 0 DCAELO COCCCS(=O)(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000173894332 292367299 /nfs/dbraw/zinc/36/72/99/292367299.db2.gz AFOBDGDQSKNFQE-AWEZNQCLSA-N 1 2 320.455 0.539 10 0 DCAELO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCO[C@H](C(N)=O)C1)c1ccccc1 ZINC000051131626 158013532 /nfs/dbraw/zinc/01/35/32/158013532.db2.gz OTASNRLTKJJSTP-OBJOEFQTSA-N 1 2 305.378 0.438 10 0 DCAELO C[C@H](NC(=O)[C@H](C)[N@H+]1CCO[C@H](C(N)=O)C1)c1ccccc1 ZINC000051131626 158013535 /nfs/dbraw/zinc/01/35/35/158013535.db2.gz OTASNRLTKJJSTP-OBJOEFQTSA-N 1 2 305.378 0.438 10 0 DCAELO CCCC[C@@H](NC(N)=O)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000068521455 158043372 /nfs/dbraw/zinc/04/33/72/158043372.db2.gz GYRXJZRRNXVFEH-VXGBXAGGSA-N 1 2 300.403 0.050 10 0 DCAELO C[C@@H](CNC(=O)[C@H](C)OC[C@@H]1CCCO1)[NH+]1CCOCC1 ZINC000068856194 158043806 /nfs/dbraw/zinc/04/38/06/158043806.db2.gz GNJHMXJNVZCIGA-IHRRRGAJSA-N 1 2 300.399 0.407 10 0 DCAELO CC(C)[C@H](C)NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000073384977 158055494 /nfs/dbraw/zinc/05/54/94/158055494.db2.gz IKRFHNVRPCFAJO-AWEZNQCLSA-N 1 2 310.442 0.981 10 0 DCAELO CC(=O)N[C@H]1CCC[N@@H+]([C@H](C)c2nc(N)nc(N(C)C)n2)C1 ZINC000077169912 158068122 /nfs/dbraw/zinc/06/81/22/158068122.db2.gz AOUMGAFGJJUPHP-KOLCDFICSA-N 1 2 307.402 0.181 10 0 DCAELO CC(=O)N[C@H]1CCC[N@H+]([C@H](C)c2nc(N)nc(N(C)C)n2)C1 ZINC000077169912 158068124 /nfs/dbraw/zinc/06/81/24/158068124.db2.gz AOUMGAFGJJUPHP-KOLCDFICSA-N 1 2 307.402 0.181 10 0 DCAELO CC(C)NC(=O)CCN1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000088594984 158095136 /nfs/dbraw/zinc/09/51/36/158095136.db2.gz ZDGDITLNBAIVSB-HNNXBMFYSA-N 1 2 324.469 0.530 10 0 DCAELO C[C@H]1CN(C)CC[N@@H+]1CCOc1ccc(S(N)(=O)=O)cc1 ZINC000089939251 158100433 /nfs/dbraw/zinc/10/04/33/158100433.db2.gz CYMLKVMZHGMOIG-LBPRGKRZSA-N 1 2 313.423 0.349 10 0 DCAELO C[C@H]1CN(C)CC[N@H+]1CCOc1ccc(S(N)(=O)=O)cc1 ZINC000089939251 158100437 /nfs/dbraw/zinc/10/04/37/158100437.db2.gz CYMLKVMZHGMOIG-LBPRGKRZSA-N 1 2 313.423 0.349 10 0 DCAELO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(C)CC1 ZINC000093168516 158118442 /nfs/dbraw/zinc/11/84/42/158118442.db2.gz IVYFFTJHXPCXIV-AWEZNQCLSA-N 1 2 310.442 0.093 10 0 DCAELO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CC(=O)N1CCN(C)CC1 ZINC000093168516 158118447 /nfs/dbraw/zinc/11/84/47/158118447.db2.gz IVYFFTJHXPCXIV-AWEZNQCLSA-N 1 2 310.442 0.093 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)NCC(=O)Nc2cccc(F)c2)C1 ZINC000104798519 158129628 /nfs/dbraw/zinc/12/96/28/158129628.db2.gz WDWBSWSAUKVLGW-ZDUSSCGKSA-N 1 2 324.356 0.394 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)NCC(=O)Nc2cccc(F)c2)C1 ZINC000104798519 158129630 /nfs/dbraw/zinc/12/96/30/158129630.db2.gz WDWBSWSAUKVLGW-ZDUSSCGKSA-N 1 2 324.356 0.394 10 0 DCAELO CCN1C[C@H](C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CC1=O ZINC000110956116 158138877 /nfs/dbraw/zinc/13/88/77/158138877.db2.gz PBEZDXHWKDEONL-CABCVRRESA-N 1 2 323.437 0.568 10 0 DCAELO CC(C)NC(=O)CCCC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000114856855 158157749 /nfs/dbraw/zinc/15/77/49/158157749.db2.gz VJTPEQOGLYBVBB-AWEZNQCLSA-N 1 2 311.426 0.661 10 0 DCAELO CC(C)NC(=O)CCCC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000114856855 158157750 /nfs/dbraw/zinc/15/77/50/158157750.db2.gz VJTPEQOGLYBVBB-AWEZNQCLSA-N 1 2 311.426 0.661 10 0 DCAELO CN(C(=O)C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1)C1CCCCC1 ZINC000116889142 158167521 /nfs/dbraw/zinc/16/75/21/158167521.db2.gz FERMDJRNRLUXOU-LBPRGKRZSA-N 1 2 317.455 0.401 10 0 DCAELO CN(C(=O)C[N@H+]1CC[C@H](NS(C)(=O)=O)C1)C1CCCCC1 ZINC000116889142 158167522 /nfs/dbraw/zinc/16/75/22/158167522.db2.gz FERMDJRNRLUXOU-LBPRGKRZSA-N 1 2 317.455 0.401 10 0 DCAELO Cc1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCO2)c(C)c1 ZINC000118115470 158175850 /nfs/dbraw/zinc/17/58/50/158175850.db2.gz ADOPCYPCGCUWGH-ZDUSSCGKSA-N 1 2 305.378 0.689 10 0 DCAELO Cc1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCO2)c(C)c1 ZINC000118115470 158175852 /nfs/dbraw/zinc/17/58/52/158175852.db2.gz ADOPCYPCGCUWGH-ZDUSSCGKSA-N 1 2 305.378 0.689 10 0 DCAELO CC(C)OCCN1CC[NH+](C[C@@H](C)CS(C)(=O)=O)CC1 ZINC000119544732 158189408 /nfs/dbraw/zinc/18/94/08/158189408.db2.gz LNFCAHUMGGKPCL-CQSZACIVSA-N 1 2 306.472 0.710 10 0 DCAELO CC(C)OCC[NH+]1CCN(C[C@@H](C)CS(C)(=O)=O)CC1 ZINC000119544732 158189411 /nfs/dbraw/zinc/18/94/11/158189411.db2.gz LNFCAHUMGGKPCL-CQSZACIVSA-N 1 2 306.472 0.710 10 0 DCAELO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)CCc2nnc[nH]2)C1 ZINC000120236154 158195259 /nfs/dbraw/zinc/19/52/59/158195259.db2.gz AOTJXWNAHIIZMB-LBPRGKRZSA-N 1 2 302.382 0.952 10 0 DCAELO CCCCN(C)S(=O)(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000123611059 158232027 /nfs/dbraw/zinc/23/20/27/158232027.db2.gz ULGGNQZPPSXGCU-ZDUSSCGKSA-N 1 2 305.444 0.416 10 0 DCAELO CCCCN(C)S(=O)(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000123611059 158232029 /nfs/dbraw/zinc/23/20/29/158232029.db2.gz ULGGNQZPPSXGCU-ZDUSSCGKSA-N 1 2 305.444 0.416 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCO[C@H](c3ccco3)C2)C1 ZINC000124908783 158249386 /nfs/dbraw/zinc/24/93/86/158249386.db2.gz ZGSUMHWPXXIIBB-JSGCOSHPSA-N 1 2 309.366 0.693 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)N2CCO[C@H](c3ccco3)C2)C1 ZINC000124908783 158249389 /nfs/dbraw/zinc/24/93/89/158249389.db2.gz ZGSUMHWPXXIIBB-JSGCOSHPSA-N 1 2 309.366 0.693 10 0 DCAELO O=C1CCC(=O)N1CC[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000126580674 158266132 /nfs/dbraw/zinc/26/61/32/158266132.db2.gz MESRPYLBHIKRRU-AWEZNQCLSA-N 1 2 304.346 0.915 10 0 DCAELO O=C1CCC(=O)N1CC[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000126580674 158266133 /nfs/dbraw/zinc/26/61/33/158266133.db2.gz MESRPYLBHIKRRU-AWEZNQCLSA-N 1 2 304.346 0.915 10 0 DCAELO C[C@@H](O)C[C@H]1COCCN1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000134703650 158329451 /nfs/dbraw/zinc/32/94/51/158329451.db2.gz UBGVQUQQXDCQDA-OCCSQVGLSA-N 1 2 322.409 0.829 10 0 DCAELO CCCNC(=O)C[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135730813 158340307 /nfs/dbraw/zinc/34/03/07/158340307.db2.gz CUZDAMJNGYXVFZ-LBPRGKRZSA-N 1 2 303.428 0.013 10 0 DCAELO CCCNC(=O)C[N@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135730813 158340309 /nfs/dbraw/zinc/34/03/09/158340309.db2.gz CUZDAMJNGYXVFZ-LBPRGKRZSA-N 1 2 303.428 0.013 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)N[C@@H](C)CO)nc[nH+]1 ZINC000152456721 158348778 /nfs/dbraw/zinc/34/87/78/158348778.db2.gz XRIBONYLBXURSZ-QWRGUYRKSA-N 1 2 308.386 0.167 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)N[C@@H](C)CO)[nH+]cn1 ZINC000152456721 158348780 /nfs/dbraw/zinc/34/87/80/158348780.db2.gz XRIBONYLBXURSZ-QWRGUYRKSA-N 1 2 308.386 0.167 10 0 DCAELO C[N@H+](CC(=O)NC(C)(C)C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000171913595 158388392 /nfs/dbraw/zinc/38/83/92/158388392.db2.gz ZTQPXTOBMRCRSH-VIFPVBQESA-N 1 2 309.332 0.996 10 0 DCAELO C[N@@H+](CC(=O)NC(C)(C)C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000171913595 158388393 /nfs/dbraw/zinc/38/83/93/158388393.db2.gz ZTQPXTOBMRCRSH-VIFPVBQESA-N 1 2 309.332 0.996 10 0 DCAELO C(c1noc(C2CCOCC2)n1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173948735 158413556 /nfs/dbraw/zinc/41/35/56/158413556.db2.gz MFZAQUQAHJKGRU-AWEZNQCLSA-N 1 2 322.409 0.870 10 0 DCAELO CCN1C[C@H](C(=O)N2CCCN(c3cccc[nH+]3)CC2)CC1=O ZINC000186394406 158531142 /nfs/dbraw/zinc/53/11/42/158531142.db2.gz RAOWCCKJXPKCQN-CQSZACIVSA-N 1 2 316.405 0.989 10 0 DCAELO Cc1ccc(OC[C@@H](O)C[NH+]2CC(NC(=O)C3CC3)C2)cc1 ZINC000187979664 158541697 /nfs/dbraw/zinc/54/16/97/158541697.db2.gz UYGUJZDFPWZNKW-HNNXBMFYSA-N 1 2 304.390 0.945 10 0 DCAELO COc1ccnc(N2CC[NH+]([C@H]3CCN(C4CC4)C3=O)CC2)n1 ZINC000328618114 159015544 /nfs/dbraw/zinc/01/55/44/159015544.db2.gz UUTYKKLIKFGGAV-ZDUSSCGKSA-N 1 2 317.393 0.371 10 0 DCAELO CN1CC[C@@H](C(=O)N2CC[NH2+][C@@H](c3cccnc3)C2)CC1=O ZINC000328636331 159016732 /nfs/dbraw/zinc/01/67/32/159016732.db2.gz AGEITGREZQRHJA-TZMCWYRMSA-N 1 2 302.378 0.423 10 0 DCAELO O=C(CN1CCCCCC1=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000328648621 159017609 /nfs/dbraw/zinc/01/76/09/159017609.db2.gz AJYUJEOOCOMPQF-OAHLLOKOSA-N 1 2 316.405 0.957 10 0 DCAELO O=C(CCN1C(=O)CCC1=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000328736350 159025695 /nfs/dbraw/zinc/02/56/95/159025695.db2.gz ZKKWHGPTUJJAPN-CYBMUJFWSA-N 1 2 316.361 0.094 10 0 DCAELO O=C(CCN1C(=O)CCC1=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000328736351 159025858 /nfs/dbraw/zinc/02/58/58/159025858.db2.gz ZKKWHGPTUJJAPN-ZDUSSCGKSA-N 1 2 316.361 0.094 10 0 DCAELO O=C(C[C@@H]1NC(=O)NC1=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000328916299 159040787 /nfs/dbraw/zinc/04/07/87/159040787.db2.gz AIKTZQPNULTXJJ-MNOVXSKESA-N 1 2 304.306 0.704 10 0 DCAELO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)CCC2(C)CC2)C[C@@H]1C ZINC000329447849 159093528 /nfs/dbraw/zinc/09/35/28/159093528.db2.gz OEFNYFVOZDNPFR-QWHCGFSZSA-N 1 2 304.456 0.893 10 0 DCAELO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)CCC2(C)CC2)C[C@@H]1C ZINC000329447849 159093530 /nfs/dbraw/zinc/09/35/30/159093530.db2.gz OEFNYFVOZDNPFR-QWHCGFSZSA-N 1 2 304.456 0.893 10 0 DCAELO O=C([C@H]1CCC[N@H+](Cc2nnnn2C2CC2)C1)N1CCCC1 ZINC000329478053 159096119 /nfs/dbraw/zinc/09/61/19/159096119.db2.gz QBFSXYZIRHKHNC-LBPRGKRZSA-N 1 2 304.398 0.842 10 0 DCAELO O=C([C@H]1CCC[N@@H+](Cc2nnnn2C2CC2)C1)N1CCCC1 ZINC000329478053 159096120 /nfs/dbraw/zinc/09/61/20/159096120.db2.gz QBFSXYZIRHKHNC-LBPRGKRZSA-N 1 2 304.398 0.842 10 0 DCAELO Cn1nccc1S(=O)(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000329741163 159115934 /nfs/dbraw/zinc/11/59/34/159115934.db2.gz OMANGCTXDVOUHW-LBPRGKRZSA-N 1 2 308.363 0.657 10 0 DCAELO C[C@H](C(=O)N1CCC(Cn2cncn2)CC1)[NH+]1CCOCC1 ZINC000330315911 159159270 /nfs/dbraw/zinc/15/92/70/159159270.db2.gz PUHZVSBNLMONEW-CYBMUJFWSA-N 1 2 307.398 0.237 10 0 DCAELO Cc1nc([C@H]2CCCN2C(=O)NC[C@@H](C)[NH+]2CCOCC2)no1 ZINC000332813009 159214583 /nfs/dbraw/zinc/21/45/83/159214583.db2.gz PDHGKCINYOXARS-DGCLKSJQSA-N 1 2 323.397 0.945 10 0 DCAELO C[C@@H](NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1cnn(C)c1 ZINC000332908160 159216226 /nfs/dbraw/zinc/21/62/26/159216226.db2.gz UNSBCVUQJWGTIC-OCCSQVGLSA-N 1 2 307.398 0.597 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCCS(N)(=O)=O)C2 ZINC000359267713 159258519 /nfs/dbraw/zinc/25/85/19/159258519.db2.gz GXPHZZBJLHJZPF-SECBINFHSA-N 1 2 314.411 0.043 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCCS(N)(=O)=O)CC2 ZINC000359267713 159258521 /nfs/dbraw/zinc/25/85/21/159258521.db2.gz GXPHZZBJLHJZPF-SECBINFHSA-N 1 2 314.411 0.043 10 0 DCAELO CC(=O)N1CCCN(C(=O)NCc2cn3c([nH+]2)CCCC3)CC1 ZINC000407998029 160006842 /nfs/dbraw/zinc/00/68/42/160006842.db2.gz ZVWFZGCMNUXIBM-UHFFFAOYSA-N 1 2 319.409 0.983 10 0 DCAELO CC[N@@H+]1CCC[C@H](NC(=O)C2(S(C)(=O)=O)CCOCC2)C1 ZINC000408003755 160008552 /nfs/dbraw/zinc/00/85/52/160008552.db2.gz HDEREURYAYVDQO-LBPRGKRZSA-N 1 2 318.439 0.181 10 0 DCAELO CC[N@H+]1CCC[C@H](NC(=O)C2(S(C)(=O)=O)CCOCC2)C1 ZINC000408003755 160008554 /nfs/dbraw/zinc/00/85/54/160008554.db2.gz HDEREURYAYVDQO-LBPRGKRZSA-N 1 2 318.439 0.181 10 0 DCAELO CC(C)C(=O)N1CCCN(C(=O)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000408013751 160011024 /nfs/dbraw/zinc/01/10/24/160011024.db2.gz OFVRFNZLEDGMEP-CQSZACIVSA-N 1 2 311.426 0.424 10 0 DCAELO C[C@H](NC(=O)c1ccoc1)C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000408019821 160013097 /nfs/dbraw/zinc/01/30/97/160013097.db2.gz BBKRXGUPNKGERA-YUTCNCBUSA-N 1 2 321.377 0.329 10 0 DCAELO C[C@H](NC(=O)c1ccoc1)C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000408019821 160013098 /nfs/dbraw/zinc/01/30/98/160013098.db2.gz BBKRXGUPNKGERA-YUTCNCBUSA-N 1 2 321.377 0.329 10 0 DCAELO CO[C@H](C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1)c1cnn(C)c1 ZINC000408020682 160014093 /nfs/dbraw/zinc/01/40/93/160014093.db2.gz FCLFMHNIUKGWAC-IHRRRGAJSA-N 1 2 308.382 0.039 10 0 DCAELO CO[C@H](C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1)c1cnn(C)c1 ZINC000408020682 160014096 /nfs/dbraw/zinc/01/40/96/160014096.db2.gz FCLFMHNIUKGWAC-IHRRRGAJSA-N 1 2 308.382 0.039 10 0 DCAELO COc1ccc(O)cc1C(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000408028353 160015515 /nfs/dbraw/zinc/01/55/15/160015515.db2.gz DAGZTVOEZWLRLW-UKRRQHHQSA-N 1 2 306.362 0.946 10 0 DCAELO COc1ccc(O)cc1C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000408028353 160015518 /nfs/dbraw/zinc/01/55/18/160015518.db2.gz DAGZTVOEZWLRLW-UKRRQHHQSA-N 1 2 306.362 0.946 10 0 DCAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000408066220 160027456 /nfs/dbraw/zinc/02/74/56/160027456.db2.gz VYSCOWWFFYEKBR-HZSPNIEDSA-N 1 2 324.425 0.112 10 0 DCAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000408066220 160027458 /nfs/dbraw/zinc/02/74/58/160027458.db2.gz VYSCOWWFFYEKBR-HZSPNIEDSA-N 1 2 324.425 0.112 10 0 DCAELO COC(=O)c1cc(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)c[nH]1 ZINC000408075542 160030425 /nfs/dbraw/zinc/03/04/25/160030425.db2.gz YOXXZDUAZJOQDD-QWHCGFSZSA-N 1 2 307.350 0.346 10 0 DCAELO COC(=O)c1cc(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)c[nH]1 ZINC000408075542 160030426 /nfs/dbraw/zinc/03/04/26/160030426.db2.gz YOXXZDUAZJOQDD-QWHCGFSZSA-N 1 2 307.350 0.346 10 0 DCAELO C[C@@H](CNS(=O)(=O)CC(F)(F)F)N1CC[NH+](C)CC1 ZINC000408141303 160046048 /nfs/dbraw/zinc/04/60/48/160046048.db2.gz UFDFNLBAWDCEAU-VIFPVBQESA-N 1 2 303.350 0.104 10 0 DCAELO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)[C@@H]2CCO[C@@H](C)C2)CC1 ZINC000408191592 160056539 /nfs/dbraw/zinc/05/65/39/160056539.db2.gz HAKSGZDLCSJTCV-MELADBBJSA-N 1 2 320.455 0.272 10 0 DCAELO C[C@@H]1C[C@@H](C(=O)N2CC[NH+](Cc3ccco3)CC2)CC(=O)N1 ZINC000408197616 160057260 /nfs/dbraw/zinc/05/72/60/160057260.db2.gz KZYSDARKVQTGEE-CHWSQXEVSA-N 1 2 305.378 0.839 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)N2CCCC[C@@H]2C)CC[N@@H+]1CCO ZINC000408367793 160093304 /nfs/dbraw/zinc/09/33/04/160093304.db2.gz XUZPLENUASOOAL-QWHCGFSZSA-N 1 2 305.444 0.104 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)N2CCCC[C@@H]2C)CC[N@H+]1CCO ZINC000408367793 160093305 /nfs/dbraw/zinc/09/33/05/160093305.db2.gz XUZPLENUASOOAL-QWHCGFSZSA-N 1 2 305.444 0.104 10 0 DCAELO Cc1ccc(S(=O)(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)o1 ZINC000408387679 160097362 /nfs/dbraw/zinc/09/73/62/160097362.db2.gz XRSPJAAMMXKRAL-LBPRGKRZSA-N 1 2 324.406 0.999 10 0 DCAELO C[C@@H](C[NH+]1CCOCC1)N(C)S(=O)(=O)N1CCC[C@H](C)C1 ZINC000408395880 160099891 /nfs/dbraw/zinc/09/98/91/160099891.db2.gz RMNNDVGXOIZSCJ-KBPBESRZSA-N 1 2 319.471 0.616 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)[C@@H]2CCO[C@@H](C)C2)C[C@@H]1C ZINC000408460155 160112626 /nfs/dbraw/zinc/11/26/26/160112626.db2.gz MAXIGUSGPDNWSH-XDQVBPFNSA-N 1 2 320.455 0.271 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)[C@@H]2CCO[C@@H](C)C2)C[C@@H]1C ZINC000408460155 160112629 /nfs/dbraw/zinc/11/26/29/160112629.db2.gz MAXIGUSGPDNWSH-XDQVBPFNSA-N 1 2 320.455 0.271 10 0 DCAELO C[C@@H]1OCC[C@@H]1NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000134485510 287016348 /nfs/dbraw/zinc/01/63/48/287016348.db2.gz WLAOGRCNFMFDCD-KBPBESRZSA-N 1 2 324.425 0.113 10 0 DCAELO C[C@@H](CNC(=O)N[C@@H](CCO)c1ccco1)[NH+]1CCOCC1 ZINC000187122220 287058601 /nfs/dbraw/zinc/05/86/01/287058601.db2.gz MKXXPSWPHDPACH-STQMWFEESA-N 1 2 311.382 0.723 10 0 DCAELO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000246949706 287089305 /nfs/dbraw/zinc/08/93/05/287089305.db2.gz CTLRSBFMSKRCIF-JHJVBQTASA-N 1 2 317.455 0.114 10 0 DCAELO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000246949706 287089307 /nfs/dbraw/zinc/08/93/07/287089307.db2.gz CTLRSBFMSKRCIF-JHJVBQTASA-N 1 2 317.455 0.114 10 0 DCAELO C[C@H](C[S@](C)=O)[N@H+](C)CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000248449825 287097462 /nfs/dbraw/zinc/09/74/62/287097462.db2.gz FGOSYDSRFXKSKO-GEBUAUGYSA-N 1 2 316.467 0.855 10 0 DCAELO C[C@H](C[S@](C)=O)[N@@H+](C)CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000248449825 287097464 /nfs/dbraw/zinc/09/74/64/287097464.db2.gz FGOSYDSRFXKSKO-GEBUAUGYSA-N 1 2 316.467 0.855 10 0 DCAELO CC[C@@H]1C[N@H+](C[C@@H](C)CS(C)(=O)=O)CCN1CCOC ZINC000118984047 287197058 /nfs/dbraw/zinc/19/70/58/287197058.db2.gz SSPMQEJOTKPBAB-ZIAGYGMSSA-N 1 2 306.472 0.710 10 0 DCAELO CC[C@@H]1C[N@@H+](C[C@@H](C)CS(C)(=O)=O)CCN1CCOC ZINC000118984047 287197059 /nfs/dbraw/zinc/19/70/59/287197059.db2.gz SSPMQEJOTKPBAB-ZIAGYGMSSA-N 1 2 306.472 0.710 10 0 DCAELO CC[C@@H]1CN(C[C@@H](C)CS(C)(=O)=O)CC[N@@H+]1CCOC ZINC000118984047 287197064 /nfs/dbraw/zinc/19/70/64/287197064.db2.gz SSPMQEJOTKPBAB-ZIAGYGMSSA-N 1 2 306.472 0.710 10 0 DCAELO CC[C@@H]1CN(C[C@@H](C)CS(C)(=O)=O)CC[N@H+]1CCOC ZINC000118984047 287197065 /nfs/dbraw/zinc/19/70/65/287197065.db2.gz SSPMQEJOTKPBAB-ZIAGYGMSSA-N 1 2 306.472 0.710 10 0 DCAELO C[C@@H](NC(=O)N1CCc2cncnc2C1)[C@H](C)[NH+]1CCOCC1 ZINC000332843393 415491659 /nfs/dbraw/zinc/49/16/59/415491659.db2.gz OYPIODPHSCYEGI-OLZOCXBDSA-N 1 2 319.409 0.654 10 0 DCAELO Cc1nnc2ccc(N(CC3CC3)C[C@@H]3C[N@H+](C)CCO3)nn12 ZINC000278857138 415500328 /nfs/dbraw/zinc/50/03/28/415500328.db2.gz XZDDBDNQIOFFCZ-AWEZNQCLSA-N 1 2 316.409 0.980 10 0 DCAELO Cc1nnc2ccc(N(CC3CC3)C[C@@H]3C[N@@H+](C)CCO3)nn12 ZINC000278857138 415500339 /nfs/dbraw/zinc/50/03/39/415500339.db2.gz XZDDBDNQIOFFCZ-AWEZNQCLSA-N 1 2 316.409 0.980 10 0 DCAELO NC(=O)[C@H]1CCC[N@@H+]1CC(=O)NCCN1CCc2ccccc21 ZINC000076571129 415455260 /nfs/dbraw/zinc/45/52/60/415455260.db2.gz VFXJMZDFGYLUMW-OAHLLOKOSA-N 1 2 316.405 0.115 10 0 DCAELO NC(=O)[C@H]1CCC[N@H+]1CC(=O)NCCN1CCc2ccccc21 ZINC000076571129 415455268 /nfs/dbraw/zinc/45/52/68/415455268.db2.gz VFXJMZDFGYLUMW-OAHLLOKOSA-N 1 2 316.405 0.115 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCC[C@H]3CCO)C[C@@H]21 ZINC000332786873 415478257 /nfs/dbraw/zinc/47/82/57/415478257.db2.gz VDOFHIJHXBJHBS-LJISPDSOSA-N 1 2 311.426 0.652 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCC[C@H]3CCO)C[C@@H]21 ZINC000332786873 415478264 /nfs/dbraw/zinc/47/82/64/415478264.db2.gz VDOFHIJHXBJHBS-LJISPDSOSA-N 1 2 311.426 0.652 10 0 DCAELO C[C@@H]1CC[C@@H](C(=O)N2CC[C@H]([N@H+](C)Cc3nccc(N)n3)C2)O1 ZINC000333028277 415534312 /nfs/dbraw/zinc/53/43/12/415534312.db2.gz LLFXITZDUAEQPR-AGIUHOORSA-N 1 2 319.409 0.659 10 0 DCAELO C[C@@H]1CC[C@@H](C(=O)N2CC[C@H]([N@@H+](C)Cc3nccc(N)n3)C2)O1 ZINC000333028277 415534320 /nfs/dbraw/zinc/53/43/20/415534320.db2.gz LLFXITZDUAEQPR-AGIUHOORSA-N 1 2 319.409 0.659 10 0 DCAELO Cc1cc(=O)cc(C)n1CCCC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000353759803 415648881 /nfs/dbraw/zinc/64/88/81/415648881.db2.gz GFEAODJRGXKXPV-MRXNPFEDSA-N 1 2 321.421 0.692 10 0 DCAELO Cc1cc(=O)cc(C)n1CCCC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000353759803 415648889 /nfs/dbraw/zinc/64/88/89/415648889.db2.gz GFEAODJRGXKXPV-MRXNPFEDSA-N 1 2 321.421 0.692 10 0 DCAELO CCc1cc(=O)[nH]c(CN2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1 ZINC000122023263 415820967 /nfs/dbraw/zinc/82/09/67/415820967.db2.gz OQAPFFUCJQUCTL-GXTWGEPZSA-N 1 2 306.410 0.897 10 0 DCAELO CCn1cc[nH+]c1CN1C(=O)N[C@@](CC)(c2cnn(C)c2)C1=O ZINC000126713457 415879682 /nfs/dbraw/zinc/87/96/82/415879682.db2.gz GCZNPCHRUHFARQ-HNNXBMFYSA-N 1 2 316.365 0.994 10 0 DCAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1cccc(F)c1F ZINC000128098506 415895945 /nfs/dbraw/zinc/89/59/45/415895945.db2.gz LYCMVWYMLFMZPA-SNVBAGLBSA-N 1 2 300.305 0.388 10 0 DCAELO CN1C(=O)C[C@@H]([N@@H+]2CCO[C@]3(CCc4ccccc43)C2)C1=O ZINC000133604426 415948671 /nfs/dbraw/zinc/94/86/71/415948671.db2.gz OUOZUUXUOKJHBS-RHSMWYFYSA-N 1 2 300.358 0.918 10 0 DCAELO CN1C(=O)C[C@@H]([N@H+]2CCO[C@]3(CCc4ccccc43)C2)C1=O ZINC000133604426 415948675 /nfs/dbraw/zinc/94/86/75/415948675.db2.gz OUOZUUXUOKJHBS-RHSMWYFYSA-N 1 2 300.358 0.918 10 0 DCAELO Cc1nc(CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000133722279 415949729 /nfs/dbraw/zinc/94/97/29/415949729.db2.gz MGULPCYVWBXMMY-CQSZACIVSA-N 1 2 316.361 0.895 10 0 DCAELO Cc1nc(CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000133722279 415949733 /nfs/dbraw/zinc/94/97/33/415949733.db2.gz MGULPCYVWBXMMY-CQSZACIVSA-N 1 2 316.361 0.895 10 0 DCAELO COC(=O)C1([NH2+]C[C@H](O)CN2CCCC2=O)CCCCCC1 ZINC000154833735 415990877 /nfs/dbraw/zinc/99/08/77/415990877.db2.gz IMIWECPMIYPKSF-ZDUSSCGKSA-N 1 2 312.410 0.825 10 0 DCAELO O=C(NCCCn1cccn1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173783160 416066163 /nfs/dbraw/zinc/06/61/63/416066163.db2.gz XJOXNYKMTFSHCD-AWEZNQCLSA-N 1 2 307.398 0.389 10 0 DCAELO CCCCN(C)S(=O)(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000174001027 416071917 /nfs/dbraw/zinc/07/19/17/416071917.db2.gz YVQGNAMSGPCZGK-ZDUSSCGKSA-N 1 2 305.444 0.370 10 0 DCAELO CCc1nc(C2([NH2+]C[C@@H](O)CN3CCCC3=O)CCCC2)no1 ZINC000174236593 416075284 /nfs/dbraw/zinc/07/52/84/416075284.db2.gz UHMYDPWUNQRVKA-GFCCVEGCSA-N 1 2 322.409 0.974 10 0 DCAELO CCOC(=O)CN(C)C(=O)C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000174748229 416085921 /nfs/dbraw/zinc/08/59/21/416085921.db2.gz RPZOKSHMVVHBGW-NSHDSACASA-N 1 2 312.288 0.007 10 0 DCAELO CCOC(=O)CN(C)C(=O)C[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000174748229 416085924 /nfs/dbraw/zinc/08/59/24/416085924.db2.gz RPZOKSHMVVHBGW-NSHDSACASA-N 1 2 312.288 0.007 10 0 DCAELO CCN(CC)C(=O)C[N@H+](C)[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000175507307 416109677 /nfs/dbraw/zinc/10/96/77/416109677.db2.gz MIYNMSZGJWILQB-ZDUSSCGKSA-N 1 2 321.425 0.634 10 0 DCAELO CCN(CC)C(=O)C[N@@H+](C)[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000175507307 416109692 /nfs/dbraw/zinc/10/96/92/416109692.db2.gz MIYNMSZGJWILQB-ZDUSSCGKSA-N 1 2 321.425 0.634 10 0 DCAELO Cc1nc2n(n1)CCC[C@H]2NC(=O)NCC[NH+]1CCOCC1 ZINC000177300095 416144452 /nfs/dbraw/zinc/14/44/52/416144452.db2.gz ULHRXTRIZWKOMM-GFCCVEGCSA-N 1 2 308.386 0.053 10 0 DCAELO Cc1cccc(NC(=O)C(=O)NC[C@H]2C[NH+]3CCN2CC3)c1C ZINC000178957227 416179386 /nfs/dbraw/zinc/17/93/86/416179386.db2.gz OGIZTTZGOCCYSS-AWEZNQCLSA-N 1 2 316.405 0.358 10 0 DCAELO CCc1ccccc1NC(=O)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178958570 416179449 /nfs/dbraw/zinc/17/94/49/416179449.db2.gz BDAXTODQOXHJIP-CQSZACIVSA-N 1 2 316.405 0.304 10 0 DCAELO COc1cccc(OC)c1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000179025174 416180580 /nfs/dbraw/zinc/18/05/80/416180580.db2.gz IVACVOMVQGXVIE-GFCCVEGCSA-N 1 2 305.378 0.433 10 0 DCAELO COC(=O)[C@H]1C[C@H](OC)C[N@@H+]1CCCNC(=O)C(F)(F)F ZINC000180648194 416200099 /nfs/dbraw/zinc/20/00/99/416200099.db2.gz QNXHDKFZKIOSRN-DTWKUNHWSA-N 1 2 312.288 0.317 10 0 DCAELO CNC(=O)[C@@H]1CN(C(=O)NCc2[nH+]ccn2CC(C)C)CCO1 ZINC000181643297 416210125 /nfs/dbraw/zinc/21/01/25/416210125.db2.gz FYHLSYIPQOFGNG-LBPRGKRZSA-N 1 2 323.397 0.196 10 0 DCAELO O=C(NCCCn1ccnn1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000182464350 416222438 /nfs/dbraw/zinc/22/24/38/416222438.db2.gz YWDXARSRLRCVAS-CQSZACIVSA-N 1 2 322.413 0.174 10 0 DCAELO COC(=O)c1cc(C(C)(C)NC(=O)NCc2[nH+]ccn2C)no1 ZINC000358665656 416263995 /nfs/dbraw/zinc/26/39/95/416263995.db2.gz RPDIBTNHVGJGAA-UHFFFAOYSA-N 1 2 321.337 0.929 10 0 DCAELO CN(C)c1noc(C[N@H+](CCO)CCOCC(F)(F)F)n1 ZINC000192719837 416310288 /nfs/dbraw/zinc/31/02/88/416310288.db2.gz CNGLFZKJNSXQIN-UHFFFAOYSA-N 1 2 312.292 0.509 10 0 DCAELO CN(C)c1noc(C[N@@H+](CCO)CCOCC(F)(F)F)n1 ZINC000192719837 416310290 /nfs/dbraw/zinc/31/02/90/416310290.db2.gz CNGLFZKJNSXQIN-UHFFFAOYSA-N 1 2 312.292 0.509 10 0 DCAELO CCOCC[N@@H+]1CCN(S(=O)(=O)C[C@@H](C)OC)C[C@@H]1C ZINC000195264583 416325624 /nfs/dbraw/zinc/32/56/24/416325624.db2.gz RMAWHYOGGWNMQC-QWHCGFSZSA-N 1 2 308.444 0.394 10 0 DCAELO CCOCC[N@H+]1CCN(S(=O)(=O)C[C@@H](C)OC)C[C@@H]1C ZINC000195264583 416325625 /nfs/dbraw/zinc/32/56/25/416325625.db2.gz RMAWHYOGGWNMQC-QWHCGFSZSA-N 1 2 308.444 0.394 10 0 DCAELO Cc1csc([C@H]2C[N@H+](CCCC(=O)NC(N)=O)CCO2)n1 ZINC000195396639 416326056 /nfs/dbraw/zinc/32/60/56/416326056.db2.gz JSPORNGVTVTTTG-SNVBAGLBSA-N 1 2 312.395 0.800 10 0 DCAELO Cc1csc([C@H]2C[N@@H+](CCCC(=O)NC(N)=O)CCO2)n1 ZINC000195396639 416326057 /nfs/dbraw/zinc/32/60/57/416326057.db2.gz JSPORNGVTVTTTG-SNVBAGLBSA-N 1 2 312.395 0.800 10 0 DCAELO C[C@H](CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)S(C)(=O)=O ZINC000533130079 416478492 /nfs/dbraw/zinc/47/84/92/416478492.db2.gz ITGBVOGDUFCEMG-SNVBAGLBSA-N 1 2 314.411 0.732 10 0 DCAELO O=C(C[N@H+]1CC[C@](O)(c2cn[nH]n2)C1)NCCC1CCCCC1 ZINC000583618423 416478801 /nfs/dbraw/zinc/47/88/01/416478801.db2.gz VGYDSWPRFUYCEO-MRXNPFEDSA-N 1 2 321.425 0.785 10 0 DCAELO O=C(C[N@@H+]1CC[C@](O)(c2cn[nH]n2)C1)NCCC1CCCCC1 ZINC000583618423 416478808 /nfs/dbraw/zinc/47/88/08/416478808.db2.gz VGYDSWPRFUYCEO-MRXNPFEDSA-N 1 2 321.425 0.785 10 0 DCAELO O=C(C[N@H+]1CC[C@](O)(c2c[nH]nn2)C1)NCCC1CCCCC1 ZINC000583618423 416478813 /nfs/dbraw/zinc/47/88/13/416478813.db2.gz VGYDSWPRFUYCEO-MRXNPFEDSA-N 1 2 321.425 0.785 10 0 DCAELO O=C(C[N@@H+]1CC[C@](O)(c2c[nH]nn2)C1)NCCC1CCCCC1 ZINC000583618423 416478819 /nfs/dbraw/zinc/47/88/19/416478819.db2.gz VGYDSWPRFUYCEO-MRXNPFEDSA-N 1 2 321.425 0.785 10 0 DCAELO COC[C@@H](NC(=O)N1CCN(C)[C@H](c2[nH]cc[nH+]2)C1)C1CC1 ZINC000583615656 416479373 /nfs/dbraw/zinc/47/93/73/416479373.db2.gz YQQYOWDKZHMPKO-OLZOCXBDSA-N 1 2 307.398 0.833 10 0 DCAELO O=C(C[N@H+]1CC[C@](O)(c2cn[nH]n2)C1)NCc1ccccc1F ZINC000583618293 416479392 /nfs/dbraw/zinc/47/93/92/416479392.db2.gz LCMLQZRKHLTNGC-OAHLLOKOSA-N 1 2 319.340 0.154 10 0 DCAELO O=C(C[N@@H+]1CC[C@](O)(c2cn[nH]n2)C1)NCc1ccccc1F ZINC000583618293 416479398 /nfs/dbraw/zinc/47/93/98/416479398.db2.gz LCMLQZRKHLTNGC-OAHLLOKOSA-N 1 2 319.340 0.154 10 0 DCAELO CCOC(=O)[C@@H](C)NC(=O)[C@H](C)Nc1cc[nH+]c(C(C)C)n1 ZINC000362670683 416569233 /nfs/dbraw/zinc/56/92/33/416569233.db2.gz WOWBBQRADAMTHC-WDEREUQCSA-N 1 2 308.382 1.468 10 0 DCAELO Cc1cccc(CNC(=O)C[N@@H+]2CCN3CCOC[C@@H]3C2)c1 ZINC000368815281 416696291 /nfs/dbraw/zinc/69/62/91/416696291.db2.gz BEPSAEAIHLBSQE-INIZCTEOSA-N 1 2 303.406 0.628 10 0 DCAELO Cc1cccc(CNC(=O)C[N@H+]2CCN3CCOC[C@@H]3C2)c1 ZINC000368815281 416696294 /nfs/dbraw/zinc/69/62/94/416696294.db2.gz BEPSAEAIHLBSQE-INIZCTEOSA-N 1 2 303.406 0.628 10 0 DCAELO Nc1nc(N[C@H]2CCCN(CCO)C2=O)[nH+]c2ccccc12 ZINC000558688312 416788592 /nfs/dbraw/zinc/78/85/92/416788592.db2.gz KBYBXPUPIRANSJ-LBPRGKRZSA-N 1 2 301.350 0.607 10 0 DCAELO CC1(C)C[N@H+](CC(=O)NC2CCOCC2)C[C@]2(CCOC2)O1 ZINC000369868854 416841220 /nfs/dbraw/zinc/84/12/20/416841220.db2.gz VLXDPNUXNUZYGM-INIZCTEOSA-N 1 2 312.410 0.552 10 0 DCAELO CC1(C)C[N@@H+](CC(=O)NC2CCOCC2)C[C@]2(CCOC2)O1 ZINC000369868854 416841227 /nfs/dbraw/zinc/84/12/27/416841227.db2.gz VLXDPNUXNUZYGM-INIZCTEOSA-N 1 2 312.410 0.552 10 0 DCAELO COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(-n2cncn2)cc1 ZINC000372646777 416942019 /nfs/dbraw/zinc/94/20/19/416942019.db2.gz CSVUFOUCRPAPCO-HUUCEWRRSA-N 1 2 316.361 0.766 10 0 DCAELO COC(=O)[C@H]1[C@H](O)CCC[N@H+]1Cc1ccc(-n2cncn2)cc1 ZINC000372646777 416942024 /nfs/dbraw/zinc/94/20/24/416942024.db2.gz CSVUFOUCRPAPCO-HUUCEWRRSA-N 1 2 316.361 0.766 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@H]3CCc4n[nH]cc4C3)C[C@H]21 ZINC000408021891 417133209 /nfs/dbraw/zinc/13/32/09/417133209.db2.gz JYPQPLROTZNFPO-NWANDNLSSA-N 1 2 319.409 0.382 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@H]3CCc4n[nH]cc4C3)C[C@H]21 ZINC000408021891 417133213 /nfs/dbraw/zinc/13/32/13/417133213.db2.gz JYPQPLROTZNFPO-NWANDNLSSA-N 1 2 319.409 0.382 10 0 DCAELO CCOC(=O)[C@H]1C[N@H+](Cc2cn(C(C)C)nn2)CC12COC2 ZINC000449367862 417145976 /nfs/dbraw/zinc/14/59/76/417145976.db2.gz ZKWMCFJVZWTWMR-CYBMUJFWSA-N 1 2 308.382 0.871 10 0 DCAELO CCOC(=O)[C@H]1C[N@@H+](Cc2cn(C(C)C)nn2)CC12COC2 ZINC000449367862 417145984 /nfs/dbraw/zinc/14/59/84/417145984.db2.gz ZKWMCFJVZWTWMR-CYBMUJFWSA-N 1 2 308.382 0.871 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)Cc1nnnn1C)C2 ZINC000526020531 417176008 /nfs/dbraw/zinc/17/60/08/417176008.db2.gz CTKJLJVHDVLMLC-SNVBAGLBSA-N 1 2 317.397 0.820 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)Cc1nnnn1C)CC2 ZINC000526020531 417176011 /nfs/dbraw/zinc/17/60/11/417176011.db2.gz CTKJLJVHDVLMLC-SNVBAGLBSA-N 1 2 317.397 0.820 10 0 DCAELO CCOC(=O)[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC12COC2 ZINC000452262061 417461427 /nfs/dbraw/zinc/46/14/27/417461427.db2.gz LYIMJNMGUKJZFD-LBPRGKRZSA-N 1 2 307.350 0.311 10 0 DCAELO O=C(CN1CCCC[C@@H](O)C1=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000644381758 417556231 /nfs/dbraw/zinc/55/62/31/417556231.db2.gz APRZREPWPOKRED-CQSZACIVSA-N 1 2 320.393 0.489 10 0 DCAELO O=C(CN1CCCC[C@@H](O)C1=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000644381758 417556239 /nfs/dbraw/zinc/55/62/39/417556239.db2.gz APRZREPWPOKRED-CQSZACIVSA-N 1 2 320.393 0.489 10 0 DCAELO CN1CCC[C@H](NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1=O ZINC000531365070 417618436 /nfs/dbraw/zinc/61/84/36/417618436.db2.gz GGRRRZRAQOMMEP-LBPRGKRZSA-N 1 2 305.382 0.920 10 0 DCAELO C[C@@H](C(=O)NCC(F)(F)F)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000105923158 261107730 /nfs/dbraw/zinc/10/77/30/261107730.db2.gz UANCKKPPBGAUCC-UWVGGRQHSA-N 1 2 305.304 0.982 10 0 DCAELO C[C@@H](C(=O)NCC(F)(F)F)[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000105923158 261107731 /nfs/dbraw/zinc/10/77/31/261107731.db2.gz UANCKKPPBGAUCC-UWVGGRQHSA-N 1 2 305.304 0.982 10 0 DCAELO C[C@H](CNC(=O)[C@H](C)NC(=O)CC(C)(C)C)[NH+]1CCOCC1 ZINC000188194538 261125740 /nfs/dbraw/zinc/12/57/40/261125740.db2.gz JWWRIKQQFPBWRG-OLZOCXBDSA-N 1 2 313.442 0.764 10 0 DCAELO COc1ccc(COC[C@H](O)C[NH+]2CC(NC(C)=O)C2)cc1 ZINC000191730095 261138018 /nfs/dbraw/zinc/13/80/18/261138018.db2.gz WXEIIMQDGRMOCE-OAHLLOKOSA-N 1 2 308.378 0.393 10 0 DCAELO COCCC1(C)CN(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000358663134 271064650 /nfs/dbraw/zinc/06/46/50/271064650.db2.gz MZXSVSOJAGBCRH-CQSZACIVSA-N 1 2 312.458 0.690 10 0 DCAELO CN(C)c1noc(CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)n1 ZINC000359008378 271087247 /nfs/dbraw/zinc/08/72/47/271087247.db2.gz IAVCHCXALNQKOO-UHFFFAOYSA-N 1 2 319.369 0.948 10 0 DCAELO O=C(NCCn1cc[nH+]c1)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000359487332 271120877 /nfs/dbraw/zinc/12/08/77/271120877.db2.gz WQMWSFWZBIMEFS-NSHDSACASA-N 1 2 306.288 0.982 10 0 DCAELO C[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H](CO)c1ccccc1 ZINC000489212451 272058983 /nfs/dbraw/zinc/05/89/83/272058983.db2.gz YYKZYBBGQJDRBF-HOCLYGCPSA-N 1 2 321.421 0.782 10 0 DCAELO C[C@H]1COCC[N@H+]1CCNC(=O)NC[C@@H](CO)c1ccccc1 ZINC000489212451 272058986 /nfs/dbraw/zinc/05/89/86/272058986.db2.gz YYKZYBBGQJDRBF-HOCLYGCPSA-N 1 2 321.421 0.782 10 0 DCAELO CCN(CC)C(=O)[C@H](C)[NH+]1CCN(C(C)(C)C(=O)OC)CC1 ZINC000494407534 272221402 /nfs/dbraw/zinc/22/14/02/272221402.db2.gz UTMNAXMNUHZDOK-ZDUSSCGKSA-N 1 2 313.442 0.813 10 0 DCAELO COc1ccc2nc(C[N@@H+]3CCN4CCOC[C@H]4C3)[nH]c2n1 ZINC000546222423 288017577 /nfs/dbraw/zinc/01/75/77/288017577.db2.gz JBVPJPTYJSDJKW-LLVKDONJSA-N 1 2 303.366 0.483 10 0 DCAELO COc1ccc2nc(C[N@H+]3CCN4CCOC[C@H]4C3)[nH]c2n1 ZINC000546222423 288017578 /nfs/dbraw/zinc/01/75/78/288017578.db2.gz JBVPJPTYJSDJKW-LLVKDONJSA-N 1 2 303.366 0.483 10 0 DCAELO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC000328916647 288080491 /nfs/dbraw/zinc/08/04/91/288080491.db2.gz AOCMVQZAEWFXPB-JHJVBQTASA-N 1 2 302.440 0.752 10 0 DCAELO CC(C)N(C)S(=O)(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000246197736 279386493 /nfs/dbraw/zinc/38/64/93/279386493.db2.gz ONQGCCBUTDLSHV-AWEZNQCLSA-N 1 2 319.471 0.758 10 0 DCAELO COC[C@@H]1CCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000553082334 288286133 /nfs/dbraw/zinc/28/61/33/288286133.db2.gz AGGPFZQBPDYGSQ-LLVKDONJSA-N 1 2 302.334 0.768 10 0 DCAELO CC(C)[C@](C)(O)CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000553072771 288286283 /nfs/dbraw/zinc/28/62/83/288286283.db2.gz RJAPCVFIWBOENZ-OAHLLOKOSA-N 1 2 304.350 0.796 10 0 DCAELO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000560985692 288522636 /nfs/dbraw/zinc/52/26/36/288522636.db2.gz FVUGDXZUALAWOR-LLVKDONJSA-N 1 2 312.333 0.674 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCc4c[nH]nc4C3)C[C@@H]21 ZINC000408023850 290081440 /nfs/dbraw/zinc/08/14/40/290081440.db2.gz WGSWNSUVWKYEMM-VHDGCEQUSA-N 1 2 319.409 0.382 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCc4c[nH]nc4C3)C[C@@H]21 ZINC000408023850 290081443 /nfs/dbraw/zinc/08/14/43/290081443.db2.gz WGSWNSUVWKYEMM-VHDGCEQUSA-N 1 2 319.409 0.382 10 0 DCAELO CN1CC[C@H](C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CC1=O ZINC000110954324 290190148 /nfs/dbraw/zinc/19/01/48/290190148.db2.gz GLXOBMULANSMHE-GJZGRUSLSA-N 1 2 323.437 0.568 10 0 DCAELO Cc1n[nH]c(C)c1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261922294 293104841 /nfs/dbraw/zinc/10/48/41/293104841.db2.gz ZQXZEKSKYYVPLF-CYBMUJFWSA-N 1 2 321.406 0.757 10 0 DCAELO Cc1nc(C)c(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)nc1C ZINC000185142309 293216771 /nfs/dbraw/zinc/21/67/71/293216771.db2.gz YFGUITCZIZKELT-CQSZACIVSA-N 1 2 304.394 0.949 10 0 DCAELO Cn1c2c([nH+]c1[C@H]1CCCN1C(=O)CNC(N)=O)CCCC2 ZINC000408038996 294176820 /nfs/dbraw/zinc/17/68/20/294176820.db2.gz QXGYRWNMUYMVTO-GFCCVEGCSA-N 1 2 305.382 0.631 10 0 DCAELO Cn1cc([C@@H]2C[NH2+]CCN2S(=O)(=O)c2cccc(F)c2)cn1 ZINC000181692664 302925296 /nfs/dbraw/zinc/92/52/96/302925296.db2.gz XXIZGZXLIDPYFZ-AWEZNQCLSA-N 1 2 324.381 0.894 10 0 DCAELO C[C@@H]1NC(=O)CC[C@H]1NC(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000332676086 332854710 /nfs/dbraw/zinc/85/47/10/332854710.db2.gz CDRWCSLLNYNYIN-QJPTWQEYSA-N 1 2 305.382 0.727 10 0 DCAELO COC[C@@]1(C(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)CCOC1 ZINC000333067391 518087478 /nfs/dbraw/zinc/08/74/78/518087478.db2.gz JIRZPZXMOLMZBE-FMKPAKJESA-N 1 2 312.410 0.361 10 0 DCAELO CN1C[C@H](NC(=O)NCCCNc2cccc[nH+]2)CCC1=O ZINC000126990173 524023351 /nfs/dbraw/zinc/02/33/51/524023351.db2.gz KANTVBHHDZJPRL-GFCCVEGCSA-N 1 2 305.382 0.804 10 0 DCAELO Cc1cnn(CCNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)c1 ZINC000189047115 526263000 /nfs/dbraw/zinc/26/30/00/526263000.db2.gz TUZHTUDEKJAANJ-OAHLLOKOSA-N 1 2 306.410 0.951 10 0 DCAELO Cc1cnn(CCNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)c1 ZINC000189047115 526263002 /nfs/dbraw/zinc/26/30/02/526263002.db2.gz TUZHTUDEKJAANJ-OAHLLOKOSA-N 1 2 306.410 0.951 10 0 DCAELO O=C1CCC(=O)N1CC[N@H+]1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000159295060 526963390 /nfs/dbraw/zinc/96/33/90/526963390.db2.gz OALQJLONTYFWIG-QWHCGFSZSA-N 1 2 322.361 0.553 10 0 DCAELO O=C1CCC(=O)N1CC[N@@H+]1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000159295060 526963392 /nfs/dbraw/zinc/96/33/92/526963392.db2.gz OALQJLONTYFWIG-QWHCGFSZSA-N 1 2 322.361 0.553 10 0 DCAELO O=Cc1ccc(OCC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc1 ZINC000160403557 527149084 /nfs/dbraw/zinc/14/90/84/527149084.db2.gz KYNDGSDPWPDKLC-MRXNPFEDSA-N 1 2 318.373 0.857 10 0 DCAELO O=Cc1ccc(OCC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cc1 ZINC000160403557 527149091 /nfs/dbraw/zinc/14/90/91/527149091.db2.gz KYNDGSDPWPDKLC-MRXNPFEDSA-N 1 2 318.373 0.857 10 0 DCAELO Cn1cc([C@@H]2CC[N@H+](Cc3nnnn3CC(F)(F)F)C2)cn1 ZINC000190897605 527300936 /nfs/dbraw/zinc/30/09/36/527300936.db2.gz DIUWGKLDRVNVOM-SECBINFHSA-N 1 2 315.303 0.958 10 0 DCAELO Cn1cc([C@@H]2CC[N@@H+](Cc3nnnn3CC(F)(F)F)C2)cn1 ZINC000190897605 527300941 /nfs/dbraw/zinc/30/09/41/527300941.db2.gz DIUWGKLDRVNVOM-SECBINFHSA-N 1 2 315.303 0.958 10 0 DCAELO O=C(NC1C[NH+](C[C@@H](O)COCc2ccccc2F)C1)C1CC1 ZINC000187978360 527543877 /nfs/dbraw/zinc/54/38/77/527543877.db2.gz LPRGKUQZGOZZDT-OAHLLOKOSA-N 1 2 322.380 0.914 10 0 DCAELO FC(F)(F)Cn1ccnc1C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000368813841 527674311 /nfs/dbraw/zinc/67/43/11/527674311.db2.gz LKHBIWRSLJKFQI-NSHDSACASA-N 1 2 304.316 0.962 10 0 DCAELO FC(F)(F)Cn1ccnc1C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000368813841 527674313 /nfs/dbraw/zinc/67/43/13/527674313.db2.gz LKHBIWRSLJKFQI-NSHDSACASA-N 1 2 304.316 0.962 10 0 DCAELO CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000285126679 534922215 /nfs/dbraw/zinc/92/22/15/534922215.db2.gz SDYNNSYYAMJQAQ-HWPZZCPQSA-N 1 2 319.361 0.138 10 0 DCAELO CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000285126679 534922219 /nfs/dbraw/zinc/92/22/19/534922219.db2.gz SDYNNSYYAMJQAQ-HWPZZCPQSA-N 1 2 319.361 0.138 10 0 DCAELO CNC(=O)c1cccc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000283972270 536436877 /nfs/dbraw/zinc/43/68/77/536436877.db2.gz GZBSCXYQLGIYEV-GJZGRUSLSA-N 1 2 317.389 0.591 10 0 DCAELO CNC(=O)c1cccc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000283972270 536436878 /nfs/dbraw/zinc/43/68/78/536436878.db2.gz GZBSCXYQLGIYEV-GJZGRUSLSA-N 1 2 317.389 0.591 10 0 DCAELO CN(C[C@@H]1C[N@H+](C)CCO1)S(=O)(=O)Cc1ccc(F)cc1 ZINC000074775048 545671416 /nfs/dbraw/zinc/67/14/16/545671416.db2.gz QJOAHQZFFDJJJE-AWEZNQCLSA-N 1 2 316.398 0.918 10 0 DCAELO CN(C[C@@H]1C[N@@H+](C)CCO1)S(=O)(=O)Cc1ccc(F)cc1 ZINC000074775048 545671420 /nfs/dbraw/zinc/67/14/20/545671420.db2.gz QJOAHQZFFDJJJE-AWEZNQCLSA-N 1 2 316.398 0.918 10 0 DCAELO CN(C)c1noc(C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)n1 ZINC000185248005 545912618 /nfs/dbraw/zinc/91/26/18/545912618.db2.gz XRGMHMXSFCTJPW-GFCCVEGCSA-N 1 2 307.398 0.874 10 0 DCAELO CN(C)c1noc(C[N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)n1 ZINC000185248005 545912620 /nfs/dbraw/zinc/91/26/20/545912620.db2.gz XRGMHMXSFCTJPW-GFCCVEGCSA-N 1 2 307.398 0.874 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)CC[C@@H]2CCCO2)C[C@H]1C ZINC000246087637 545963106 /nfs/dbraw/zinc/96/31/06/545963106.db2.gz IZMQIHYXFWPKKV-RDBSUJKOSA-N 1 2 320.455 0.272 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)CC[C@@H]2CCCO2)C[C@H]1C ZINC000246087637 545963112 /nfs/dbraw/zinc/96/31/12/545963112.db2.gz IZMQIHYXFWPKKV-RDBSUJKOSA-N 1 2 320.455 0.272 10 0 DCAELO CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000722678872 658278694 /nfs/dbraw/zinc/27/86/94/658278694.db2.gz GUKSTFAXWSILBS-JQWIXIFHSA-N 1 2 306.366 0.933 10 0 DCAELO CC(C)(CNC(=O)CN1CCCC[C@@H](O)C1=O)n1cc[nH+]c1 ZINC000912615050 664197263 /nfs/dbraw/zinc/19/72/63/664197263.db2.gz UEORGLNBDWOOGX-GFCCVEGCSA-N 1 2 308.382 0.108 10 0 DCAELO COC(=O)c1cn(C[NH+]2CCC(Cn3ccnn3)CC2)nn1 ZINC000157047781 664411019 /nfs/dbraw/zinc/41/10/19/664411019.db2.gz JYIUTOIKMCYOFU-UHFFFAOYSA-N 1 2 305.342 0.026 10 0 DCAELO CC(C)N1C(=O)CN(C[N@@H+]2CC[C@H](N3CCOCC3)C2)C1=O ZINC000172961365 664626023 /nfs/dbraw/zinc/62/60/23/664626023.db2.gz QPHCMYHTCUIEFS-ZDUSSCGKSA-N 1 2 310.398 0.023 10 0 DCAELO CC(C)N1C(=O)CN(C[N@H+]2CC[C@H](N3CCOCC3)C2)C1=O ZINC000172961365 664626024 /nfs/dbraw/zinc/62/60/24/664626024.db2.gz QPHCMYHTCUIEFS-ZDUSSCGKSA-N 1 2 310.398 0.023 10 0 DCAELO CC(C)N1C(=O)CN(CN2CC[C@H]([NH+]3CCOCC3)C2)C1=O ZINC000172961365 664626025 /nfs/dbraw/zinc/62/60/25/664626025.db2.gz QPHCMYHTCUIEFS-ZDUSSCGKSA-N 1 2 310.398 0.023 10 0 DCAELO Cc1cnn([C@@H]2CCC[N@@H+](CN3C(=O)C(=O)N(C)C3=O)C2)c1 ZINC000152893257 664778460 /nfs/dbraw/zinc/77/84/60/664778460.db2.gz DPFNSVBOMZQANY-LLVKDONJSA-N 1 2 305.338 0.207 10 0 DCAELO Cc1cnn([C@@H]2CCC[N@H+](CN3C(=O)C(=O)N(C)C3=O)C2)c1 ZINC000152893257 664778461 /nfs/dbraw/zinc/77/84/61/664778461.db2.gz DPFNSVBOMZQANY-LLVKDONJSA-N 1 2 305.338 0.207 10 0 DCAELO COC(=O)c1cn(C[NH+]2CCC(Cn3cncn3)CC2)nn1 ZINC000186914607 666619338 /nfs/dbraw/zinc/61/93/38/666619338.db2.gz 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/nfs/dbraw/zinc/78/72/97/671787297.db2.gz BMQRTIMBRZICGN-GFCCVEGCSA-N 1 2 323.397 0.506 10 0 DCAELO CS(=O)(=O)C1CC([NH2+]Cc2n[nH]cc2Br)C1 ZINC000718134576 685304632 /nfs/dbraw/zinc/30/46/32/685304632.db2.gz ROEVHDYAVLXCTO-UHFFFAOYSA-N 1 2 308.201 0.837 10 0 DCAELO O=C(C[NH2+]Cc1nc(Br)c[nH]1)N1CCOCC1 ZINC000384012263 685243526 /nfs/dbraw/zinc/24/35/26/685243526.db2.gz IUBPZLHVWNKBOH-UHFFFAOYSA-N 1 2 303.160 0.121 10 0 DCAELO CC(C)(C)[N@@H+]1CC[C@@H](C[NH2+]CCS(=O)(=O)CC(=O)[O-])C1 ZINC000693003116 968921900 /nfs/dbraw/zinc/92/19/00/968921900.db2.gz BZTXWFGKHHFMHD-NSHDSACASA-N 1 2 306.428 0.196 10 0 DCAELO CC(C)(C)[N@H+]1CC[C@@H](C[NH2+]CCS(=O)(=O)CC(=O)[O-])C1 ZINC000693003116 968921908 /nfs/dbraw/zinc/92/19/08/968921908.db2.gz BZTXWFGKHHFMHD-NSHDSACASA-N 1 2 306.428 0.196 10 0 DCAELO CS(=O)(=O)N[C@@H]1CCC[N@H+](CC(=O)NC2CCCCC2)C1 ZINC000076949756 185060492 /nfs/dbraw/zinc/06/04/92/185060492.db2.gz CLWHKZPPDJTHBE-CYBMUJFWSA-N 1 2 317.455 0.449 10 0 DCAELO CS(=O)(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC2CCCCC2)C1 ZINC000076949756 185060494 /nfs/dbraw/zinc/06/04/94/185060494.db2.gz CLWHKZPPDJTHBE-CYBMUJFWSA-N 1 2 317.455 0.449 10 0 DCAELO CNC(=O)[C@@H](NC(=O)NCC(C)(C)[NH+]1CCOCC1)C(C)C ZINC000178440698 529896940 /nfs/dbraw/zinc/89/69/40/529896940.db2.gz BXRSCQUNRLBWFS-LBPRGKRZSA-N 1 2 314.430 0.167 10 0 DCAELO Cn1cc([C@@H]2CCN(C(=O)NC[C@H]3C[N@H+](C)CCO3)C2)cn1 ZINC000172121503 198042787 /nfs/dbraw/zinc/04/27/87/198042787.db2.gz VTFIZJGUIWLZTQ-OCCSQVGLSA-N 1 2 307.398 0.250 10 0 DCAELO Cn1cc([C@@H]2CCN(C(=O)NC[C@H]3C[N@@H+](C)CCO3)C2)cn1 ZINC000172121503 198042789 /nfs/dbraw/zinc/04/27/89/198042789.db2.gz VTFIZJGUIWLZTQ-OCCSQVGLSA-N 1 2 307.398 0.250 10 0 DCAELO CC(=O)CC[NH+]1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000173712350 198243212 /nfs/dbraw/zinc/24/32/12/198243212.db2.gz YGJZPJQXQISHQK-UHFFFAOYSA-N 1 2 301.368 0.101 10 0 DCAELO CC(=O)N1CCN(C(=O)C[N@@H+](C)[C@H](C)c2cnn(C)c2)CC1 ZINC000180380962 199152352 /nfs/dbraw/zinc/15/23/52/199152352.db2.gz OYXZYDHMOPQIHF-GFCCVEGCSA-N 1 2 307.398 0.104 10 0 DCAELO CC(=O)N1CCN(C(=O)C[N@H+](C)[C@H](C)c2cnn(C)c2)CC1 ZINC000180380962 199152354 /nfs/dbraw/zinc/15/23/54/199152354.db2.gz OYXZYDHMOPQIHF-GFCCVEGCSA-N 1 2 307.398 0.104 10 0 DCAELO C[C@@H](c1cnn(C)c1)[N@H+](C)CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000180417786 199156159 /nfs/dbraw/zinc/15/61/59/199156159.db2.gz XTHNWSNYEFZDHB-RYUDHWBXSA-N 1 2 307.398 0.137 10 0 DCAELO C[C@@H](c1cnn(C)c1)[N@@H+](C)CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000180417786 199156161 /nfs/dbraw/zinc/15/61/61/199156161.db2.gz XTHNWSNYEFZDHB-RYUDHWBXSA-N 1 2 307.398 0.137 10 0 DCAELO CC(C)n1cnc(S(=O)(=O)N2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000188277185 200220421 /nfs/dbraw/zinc/22/04/21/200220421.db2.gz GOIFAWRAVSQLBY-GFCCVEGCSA-N 1 2 316.427 0.151 10 0 DCAELO CCc1ccccc1S(=O)(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000188728860 200295648 /nfs/dbraw/zinc/29/56/48/200295648.db2.gz VVTOKWHDXFGYLW-CYBMUJFWSA-N 1 2 312.435 0.936 10 0 DCAELO CCc1ccccc1S(=O)(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000188728860 200295650 /nfs/dbraw/zinc/29/56/50/200295650.db2.gz VVTOKWHDXFGYLW-CYBMUJFWSA-N 1 2 312.435 0.936 10 0 DCAELO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)o1 ZINC000408396930 239268215 /nfs/dbraw/zinc/26/82/15/239268215.db2.gz VIUXPUABUADFJZ-GHMZBOCLSA-N 1 2 302.396 0.664 10 0 DCAELO Cc1ccc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)o1 ZINC000408396930 239268218 /nfs/dbraw/zinc/26/82/18/239268218.db2.gz VIUXPUABUADFJZ-GHMZBOCLSA-N 1 2 302.396 0.664 10 0 DCAELO O=C(CN1CCOCC1=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000566834384 291325186 /nfs/dbraw/zinc/32/51/86/291325186.db2.gz BNBILAVEIWVNJE-UHFFFAOYSA-N 1 2 300.318 0.874 10 0 DCAELO COC(=O)[C@@H]1CC[C@@H]1C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000367527220 291444059 /nfs/dbraw/zinc/44/40/59/291444059.db2.gz MUUUSFCQQHDQNY-RFQIPJPRSA-N 1 2 310.394 0.507 10 0 DCAELO Cc1cc(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCN2C)c(C)s1 ZINC000264709138 204092290 /nfs/dbraw/zinc/09/22/90/204092290.db2.gz BAWKQTHGYPSPJU-LBPRGKRZSA-N 1 2 317.480 0.889 10 0 DCAELO Cc1cc(S(=O)(=O)NC[C@H]2C[N@H+](C)CCN2C)c(C)s1 ZINC000264709138 204092294 /nfs/dbraw/zinc/09/22/94/204092294.db2.gz BAWKQTHGYPSPJU-LBPRGKRZSA-N 1 2 317.480 0.889 10 0 DCAELO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC(CO)C1 ZINC000573420470 291630238 /nfs/dbraw/zinc/63/02/38/291630238.db2.gz JXRCUSDDVTVMHG-UHFFFAOYSA-N 1 2 306.366 0.683 10 0 DCAELO C[C@H]1CN(c2ccc(CNC(=O)NCCO)c[nH+]2)C[C@H](C)O1 ZINC000042874057 183316275 /nfs/dbraw/zinc/31/62/75/183316275.db2.gz VOSSJGBTIPSVSM-RYUDHWBXSA-N 1 2 308.382 0.487 10 0 DCAELO CC(C)Oc1ccc(CNC(=O)NC[C@H]2C[N@H+](C)CCO2)cn1 ZINC000104783935 194040389 /nfs/dbraw/zinc/04/03/89/194040389.db2.gz CAOSLHQMKGLDHB-AWEZNQCLSA-N 1 2 322.409 0.999 10 0 DCAELO CC(C)Oc1ccc(CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)cn1 ZINC000104783935 194040391 /nfs/dbraw/zinc/04/03/91/194040391.db2.gz CAOSLHQMKGLDHB-AWEZNQCLSA-N 1 2 322.409 0.999 10 0 DCAELO CCOc1ccnc(N2CC[NH+](CC(=O)N(CC)CC)CC2)n1 ZINC000105868346 194151424 /nfs/dbraw/zinc/15/14/24/194151424.db2.gz AWVCKHWRWRNLNW-UHFFFAOYSA-N 1 2 321.425 0.866 10 0 DCAELO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000106382463 194203771 /nfs/dbraw/zinc/20/37/71/194203771.db2.gz YHRGVJLVDBXEAR-NSHDSACASA-N 1 2 304.437 0.825 10 0 DCAELO O=S(=O)(CCNc1cc[nH+]c(C2CC2)n1)N1CCOCC1 ZINC000110393072 194327781 /nfs/dbraw/zinc/32/77/81/194327781.db2.gz OFBHODNKQMAJNH-UHFFFAOYSA-N 1 2 312.395 0.428 10 0 DCAELO COCC[N@H+](Cc1cnc2nc(C)cc(C)n12)[C@H](C)C(N)=O ZINC000093138328 285000592 /nfs/dbraw/zinc/00/05/92/285000592.db2.gz UOPIEZADOWETJC-GFCCVEGCSA-N 1 2 305.382 0.668 10 0 DCAELO COCC[N@@H+](Cc1cnc2nc(C)cc(C)n12)[C@H](C)C(N)=O ZINC000093138328 285000594 /nfs/dbraw/zinc/00/05/94/285000594.db2.gz UOPIEZADOWETJC-GFCCVEGCSA-N 1 2 305.382 0.668 10 0 DCAELO Cn1cc[nH+]c1[C@H]1CN(C(=O)NCCOCC2CC2)CCN1C ZINC000275703625 130365982 /nfs/dbraw/zinc/36/59/82/130365982.db2.gz ULGPUDJVXCBCOI-CQSZACIVSA-N 1 2 321.425 0.845 10 0 DCAELO CCc1nnc(C)cc1C(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000283858322 131029522 /nfs/dbraw/zinc/02/95/22/131029522.db2.gz BOIZREOELCMICE-HUUCEWRRSA-N 1 2 304.394 0.893 10 0 DCAELO CCc1nnc(C)cc1C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000283858322 131029523 /nfs/dbraw/zinc/02/95/23/131029523.db2.gz BOIZREOELCMICE-HUUCEWRRSA-N 1 2 304.394 0.893 10 0 DCAELO C[C@H](NC(=O)c1ccco1)C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000284167693 131055607 /nfs/dbraw/zinc/05/56/07/131055607.db2.gz RJCVDRUYYSTJCF-XQQFMLRXSA-N 1 2 321.377 0.329 10 0 DCAELO C[C@H](NC(=O)c1ccco1)C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000284167693 131055608 /nfs/dbraw/zinc/05/56/08/131055608.db2.gz RJCVDRUYYSTJCF-XQQFMLRXSA-N 1 2 321.377 0.329 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)CCNC(=O)c3ccco3)C[C@H]21 ZINC000284278617 131066103 /nfs/dbraw/zinc/06/61/03/131066103.db2.gz YRUQUDFBLHBILP-OLZOCXBDSA-N 1 2 321.377 0.331 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)CCNC(=O)c3ccco3)C[C@H]21 ZINC000284278617 131066104 /nfs/dbraw/zinc/06/61/04/131066104.db2.gz YRUQUDFBLHBILP-OLZOCXBDSA-N 1 2 321.377 0.331 10 0 DCAELO Cc1nn(C)c(C)c1CNC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000285554177 131180429 /nfs/dbraw/zinc/18/04/29/131180429.db2.gz VHEZRVROBOYNCA-LSDHHAIUSA-N 1 2 321.425 0.651 10 0 DCAELO Cc1nn(C)c(C)c1CNC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000285554177 131180431 /nfs/dbraw/zinc/18/04/31/131180431.db2.gz VHEZRVROBOYNCA-LSDHHAIUSA-N 1 2 321.425 0.651 10 0 DCAELO CC[C@H](O)C[NH+]1CCN(C(=O)c2ccc([S@@](C)=O)cc2)CC1 ZINC000106398007 395782518 /nfs/dbraw/zinc/78/25/18/395782518.db2.gz ZKIBEQJUPIJFHZ-FPTDNZKUSA-N 1 2 324.446 0.953 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(N3CCNC3=O)cc2)C1 ZINC000194724762 395805856 /nfs/dbraw/zinc/80/58/56/395805856.db2.gz QGYGCYSCWLCAAK-CQSZACIVSA-N 1 2 318.377 0.277 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)c2ccc(N3CCNC3=O)cc2)C1 ZINC000194724762 395805860 /nfs/dbraw/zinc/80/58/60/395805860.db2.gz QGYGCYSCWLCAAK-CQSZACIVSA-N 1 2 318.377 0.277 10 0 DCAELO Cc1cnn([C@@H]2CCCN(C(=O)NCC[NH+]3CCOCC3)C2)c1 ZINC000111787975 395813730 /nfs/dbraw/zinc/81/37/30/395813730.db2.gz MSJWVXBARMQPJN-OAHLLOKOSA-N 1 2 321.425 0.870 10 0 DCAELO COc1cc(C(=O)C[NH+](CCO)CCO)cc(OC)c1OC ZINC000048546747 395817067 /nfs/dbraw/zinc/81/70/67/395817067.db2.gz FBMOZNSFLILJML-UHFFFAOYSA-N 1 2 313.350 0.182 10 0 DCAELO Cc1cc(C)c(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCO2)c(C)c1 ZINC000118115813 395859759 /nfs/dbraw/zinc/85/97/59/395859759.db2.gz BRMMNHBAKBXODG-CQSZACIVSA-N 1 2 319.405 0.997 10 0 DCAELO Cc1cc(C)c(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c(C)c1 ZINC000118115813 395859762 /nfs/dbraw/zinc/85/97/62/395859762.db2.gz BRMMNHBAKBXODG-CQSZACIVSA-N 1 2 319.405 0.997 10 0 DCAELO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccc2n[nH]nc2c1 ZINC000115164220 395838347 /nfs/dbraw/zinc/83/83/47/395838347.db2.gz HQYWTRBOWSIRIQ-LBPRGKRZSA-N 1 2 301.350 0.551 10 0 DCAELO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1ccc2n[nH]nc2c1 ZINC000115164220 395838348 /nfs/dbraw/zinc/83/83/48/395838348.db2.gz HQYWTRBOWSIRIQ-LBPRGKRZSA-N 1 2 301.350 0.551 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2cc(F)cc(F)c2)C1 ZINC000118115338 395860721 /nfs/dbraw/zinc/86/07/21/395860721.db2.gz ZMMKWFLMULURMW-GFCCVEGCSA-N 1 2 313.304 0.350 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2cc(F)cc(F)c2)C1 ZINC000118115338 395860724 /nfs/dbraw/zinc/86/07/24/395860724.db2.gz ZMMKWFLMULURMW-GFCCVEGCSA-N 1 2 313.304 0.350 10 0 DCAELO O=C(N[C@@H]1CCCN(c2ccccc2)C1=O)[C@@H]1COCC[NH2+]1 ZINC000238132444 395922258 /nfs/dbraw/zinc/92/22/58/395922258.db2.gz ARJIFGZHEOLPBD-KGLIPLIRSA-N 1 2 303.362 0.287 10 0 DCAELO Cc1cc(C)n(C[C@H]2CN([C@H](C)C[NH+]3CCOCC3)CCO2)n1 ZINC000245983992 395939225 /nfs/dbraw/zinc/93/92/25/395939225.db2.gz HDZBVVHMWVMATN-IAGOWNOFSA-N 1 2 322.453 0.921 10 0 DCAELO CCOCC[N@@H+]1CCN(S(=O)(=O)[C@H](C)COC)C[C@@H]1C ZINC000246629684 395954255 /nfs/dbraw/zinc/95/42/55/395954255.db2.gz CMTPXZZCAHHKHB-QWHCGFSZSA-N 1 2 308.444 0.394 10 0 DCAELO CCOCC[N@H+]1CCN(S(=O)(=O)[C@H](C)COC)C[C@@H]1C ZINC000246629684 395954257 /nfs/dbraw/zinc/95/42/57/395954257.db2.gz CMTPXZZCAHHKHB-QWHCGFSZSA-N 1 2 308.444 0.394 10 0 DCAELO CCS(=O)(=O)C[C@H](C)NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000247080579 395965287 /nfs/dbraw/zinc/96/52/87/395965287.db2.gz HTZQMZVDWRRREB-STQMWFEESA-N 1 2 317.455 0.689 10 0 DCAELO CCS(=O)(=O)C[C@H](C)NC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000247080579 395965291 /nfs/dbraw/zinc/96/52/91/395965291.db2.gz HTZQMZVDWRRREB-STQMWFEESA-N 1 2 317.455 0.689 10 0 DCAELO C[C@H](CNC(=O)N[C@@H]1Cc2ccccc2[C@H]1O)[NH+]1CCOCC1 ZINC000247258483 395970600 /nfs/dbraw/zinc/97/06/00/395970600.db2.gz WSWKQEJTBZVLBY-DAXOMENPSA-N 1 2 319.405 0.665 10 0 DCAELO O=C(COc1ccccc1O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000151707269 395990541 /nfs/dbraw/zinc/99/05/41/395990541.db2.gz PJAXAHNDQOBTEE-ZDUSSCGKSA-N 1 2 306.362 0.750 10 0 DCAELO O=C(COc1ccccc1O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000151707269 395990545 /nfs/dbraw/zinc/99/05/45/395990545.db2.gz PJAXAHNDQOBTEE-ZDUSSCGKSA-N 1 2 306.362 0.750 10 0 DCAELO Cc1cc(=O)[nH]c(CNc2nc(N3CCC[C@H](O)C3)cc[nH+]2)n1 ZINC000065382983 395993385 /nfs/dbraw/zinc/99/33/85/395993385.db2.gz YCAGVXICOWAQID-NSHDSACASA-N 1 2 316.365 0.442 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(CC(=O)NOCc2ccccc2)C[C@H]1C ZINC000252734761 396024244 /nfs/dbraw/zinc/02/42/44/396024244.db2.gz DQGMOQLOCNGLLU-CABCVRRESA-N 1 2 321.421 0.621 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(CC(=O)NOCc2ccccc2)C[C@H]1C ZINC000252734761 396024249 /nfs/dbraw/zinc/02/42/49/396024249.db2.gz DQGMOQLOCNGLLU-CABCVRRESA-N 1 2 321.421 0.621 10 0 DCAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1cc(Cl)ccc1O ZINC000154115387 396031248 /nfs/dbraw/zinc/03/12/48/396031248.db2.gz GTGLPKZUYJNQOU-LLVKDONJSA-N 1 2 314.769 0.469 10 0 DCAELO CCOc1ccccc1C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000154110096 396031596 /nfs/dbraw/zinc/03/15/96/396031596.db2.gz ZPFKEOLRWQDZDP-CYBMUJFWSA-N 1 2 308.378 0.508 10 0 DCAELO CC(C)(CNC(=O)CNC(=O)c1cccnc1)[NH+]1CCOCC1 ZINC000154789171 396041986 /nfs/dbraw/zinc/04/19/86/396041986.db2.gz RAKKIAGUWNDREP-UHFFFAOYSA-N 1 2 320.393 0.038 10 0 DCAELO CCNC(=O)C[NH+]1CCN(Cc2nnc(C)n2C2CC2)CC1 ZINC000154816014 396043122 /nfs/dbraw/zinc/04/31/22/396043122.db2.gz KDYFWSAVUWRANN-UHFFFAOYSA-N 1 2 306.414 0.175 10 0 DCAELO Cn1cc([C@@H]2CCCN2C(=O)NC[C@@H]2C[N@H+](C)CCO2)cn1 ZINC000170924215 396101408 /nfs/dbraw/zinc/10/14/08/396101408.db2.gz YJBAKVLCVSPELB-KGLIPLIRSA-N 1 2 307.398 0.597 10 0 DCAELO Cn1cc([C@@H]2CCCN2C(=O)NC[C@@H]2C[N@@H+](C)CCO2)cn1 ZINC000170924215 396101411 /nfs/dbraw/zinc/10/14/11/396101411.db2.gz YJBAKVLCVSPELB-KGLIPLIRSA-N 1 2 307.398 0.597 10 0 DCAELO C[C@@H](CNC(=O)NCCCc1cnn(C)c1)[NH+]1CCOCC1 ZINC000171331311 396114590 /nfs/dbraw/zinc/11/45/90/396114590.db2.gz ZNCFBWIRXLCLDS-ZDUSSCGKSA-N 1 2 309.414 0.373 10 0 DCAELO O=C(c1ccc2nccn2c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172768585 396132926 /nfs/dbraw/zinc/13/29/26/396132926.db2.gz QVJCKELHJUZIGW-CQSZACIVSA-N 1 2 300.362 0.881 10 0 DCAELO O=C(NCCNC(=O)[C@H]1CC(F)(F)C[NH2+]1)NC1CCCCC1 ZINC000263190751 396205215 /nfs/dbraw/zinc/20/52/15/396205215.db2.gz HVXYSKMVQAOHAI-LLVKDONJSA-N 1 2 318.368 0.732 10 0 DCAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1ccc2ncsc2c1 ZINC000176438785 396155907 /nfs/dbraw/zinc/15/59/07/396155907.db2.gz PNLUWSQGTGOHIV-GFCCVEGCSA-N 1 2 321.402 0.719 10 0 DCAELO Cn1c(=O)cc(C[N@@H+]2CCO[C@H](c3ccsc3)C2)n(C)c1=O ZINC000176987996 396163497 /nfs/dbraw/zinc/16/34/97/396163497.db2.gz OSWXFXCJZWNLSF-ZDUSSCGKSA-N 1 2 321.402 0.719 10 0 DCAELO Cn1c(=O)cc(C[N@H+]2CCO[C@H](c3ccsc3)C2)n(C)c1=O ZINC000176987996 396163500 /nfs/dbraw/zinc/16/35/00/396163500.db2.gz OSWXFXCJZWNLSF-ZDUSSCGKSA-N 1 2 321.402 0.719 10 0 DCAELO CC(C)C(=O)N1CCCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263306786 396212981 /nfs/dbraw/zinc/21/29/81/396212981.db2.gz XZFCLQHTAMMLHF-NSHDSACASA-N 1 2 303.353 0.701 10 0 DCAELO Cn1ccnc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)Cc1ncnn1C ZINC000279835980 396187326 /nfs/dbraw/zinc/18/73/26/396187326.db2.gz ZLVOFSWBHXRXMA-STQMWFEESA-N 1 2 321.404 0.593 10 0 DCAELO Cn1ccnc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)Cc1ncnn1C ZINC000279835980 396187329 /nfs/dbraw/zinc/18/73/29/396187329.db2.gz ZLVOFSWBHXRXMA-STQMWFEESA-N 1 2 321.404 0.593 10 0 DCAELO CCOC(=O)C[N@H+](Cc1cc(=O)n(C)c(=O)n1C)C(C)(C)C ZINC000178212279 396191863 /nfs/dbraw/zinc/19/18/63/396191863.db2.gz SFDOOURBRJGZRB-UHFFFAOYSA-N 1 2 311.382 0.248 10 0 DCAELO CCOC(=O)C[N@@H+](Cc1cc(=O)n(C)c(=O)n1C)C(C)(C)C ZINC000178212279 396191864 /nfs/dbraw/zinc/19/18/64/396191864.db2.gz SFDOOURBRJGZRB-UHFFFAOYSA-N 1 2 311.382 0.248 10 0 DCAELO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)[C@H]1CCNC1=O ZINC000178282433 396192915 /nfs/dbraw/zinc/19/29/15/396192915.db2.gz QNSCGYAGXZTTIO-AWEZNQCLSA-N 1 2 318.377 0.794 10 0 DCAELO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)[C@H]1CCNC1=O ZINC000178282433 396192919 /nfs/dbraw/zinc/19/29/19/396192919.db2.gz QNSCGYAGXZTTIO-AWEZNQCLSA-N 1 2 318.377 0.794 10 0 DCAELO Cn1cnn(-c2ccc(NC(=O)[C@@H]3CC(F)(F)C[NH2+]3)cc2)c1=O ZINC000263157081 396203348 /nfs/dbraw/zinc/20/33/48/396203348.db2.gz DNIHFGHZCLJNBT-NSHDSACASA-N 1 2 323.303 0.507 10 0 DCAELO CCNS(=O)(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000178696208 396204778 /nfs/dbraw/zinc/20/47/78/396204778.db2.gz YDBQNSVSRXJICA-CQSZACIVSA-N 1 2 313.423 0.192 10 0 DCAELO CN(C)c1nc(C[NH2+][C@H](CC(N)=O)C2CCOCC2)ns1 ZINC000181932042 396243891 /nfs/dbraw/zinc/24/38/91/396243891.db2.gz USXRAKUZVWWTAS-SNVBAGLBSA-N 1 2 313.427 0.364 10 0 DCAELO CC[C@@H]1CN(C(=O)N[C@@H](C)C[S@](C)=O)CC[N@@H+]1CCOC ZINC000182601464 396251805 /nfs/dbraw/zinc/25/18/05/396251805.db2.gz BHNALXWEOMVVFV-QRQYBIJMSA-N 1 2 319.471 0.506 10 0 DCAELO CC[C@@H]1CN(C(=O)N[C@@H](C)C[S@](C)=O)CC[N@H+]1CCOC ZINC000182601464 396251808 /nfs/dbraw/zinc/25/18/08/396251808.db2.gz BHNALXWEOMVVFV-QRQYBIJMSA-N 1 2 319.471 0.506 10 0 DCAELO O=C(CNC(=O)N1CCC(n2cc[nH+]c2)CC1)NCC1CC1 ZINC000183776093 396274581 /nfs/dbraw/zinc/27/45/81/396274581.db2.gz BRLXTEOGVFOISH-UHFFFAOYSA-N 1 2 305.382 0.756 10 0 DCAELO CNC(=O)CC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000185076983 396316727 /nfs/dbraw/zinc/31/67/27/396316727.db2.gz GXEYWEYTGAZWJA-NSHDSACASA-N 1 2 311.407 0.374 10 0 DCAELO COc1cc(-c2noc(C[N@@H+]3C[C@@H](O)C[C@@H]3CO)n2)ccc1C ZINC000185135662 396318984 /nfs/dbraw/zinc/31/89/84/396318984.db2.gz YVTSQNIZNBRUNE-OLZOCXBDSA-N 1 2 319.361 0.981 10 0 DCAELO COc1cc(-c2noc(C[N@H+]3C[C@@H](O)C[C@@H]3CO)n2)ccc1C ZINC000185135662 396318987 /nfs/dbraw/zinc/31/89/87/396318987.db2.gz YVTSQNIZNBRUNE-OLZOCXBDSA-N 1 2 319.361 0.981 10 0 DCAELO Cn1cc(N2CC[C@@H]([N@@H+]3CCO[C@]4(CCOC4)C3)C2=O)cn1 ZINC000185137395 396319038 /nfs/dbraw/zinc/31/90/38/396319038.db2.gz FGCFMWQPOJWDSO-UKRRQHHQSA-N 1 2 306.366 0.017 10 0 DCAELO Cn1cc(N2CC[C@@H]([N@H+]3CCO[C@]4(CCOC4)C3)C2=O)cn1 ZINC000185137395 396319042 /nfs/dbraw/zinc/31/90/42/396319042.db2.gz FGCFMWQPOJWDSO-UKRRQHHQSA-N 1 2 306.366 0.017 10 0 DCAELO COCCCCS(=O)(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000184827636 396308144 /nfs/dbraw/zinc/30/81/44/396308144.db2.gz IXVUFCYCWDYMEC-ZDUSSCGKSA-N 1 2 308.444 0.301 10 0 DCAELO CN(C)c1noc(CN2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000185278580 396324133 /nfs/dbraw/zinc/32/41/33/396324133.db2.gz SWUBTJCRXMZEPM-UHFFFAOYSA-N 1 2 302.382 0.848 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)Nc3ccc(C(N)=O)nc3)C[C@@H]21 ZINC000285778549 396353187 /nfs/dbraw/zinc/35/31/87/396353187.db2.gz MWPGMSYUFMZNMS-STQMWFEESA-N 1 2 319.365 0.117 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3ccc(C(N)=O)nc3)C[C@@H]21 ZINC000285778549 396353191 /nfs/dbraw/zinc/35/31/91/396353191.db2.gz MWPGMSYUFMZNMS-STQMWFEESA-N 1 2 319.365 0.117 10 0 DCAELO CCN(C)C(=O)CNC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000187304910 396367432 /nfs/dbraw/zinc/36/74/32/396367432.db2.gz PEJSCHJWCULNHA-UHFFFAOYSA-N 1 2 316.365 0.545 10 0 DCAELO CCN1C[C@@H](C(=O)N2CCCN(c3cccc[nH+]3)CC2)CC1=O ZINC000186394423 396349317 /nfs/dbraw/zinc/34/93/17/396349317.db2.gz RAOWCCKJXPKCQN-AWEZNQCLSA-N 1 2 316.405 0.989 10 0 DCAELO CS(=O)(=O)Cc1ccc(C(=O)N2CC[NH+]3CCC2CC3)o1 ZINC000188641444 396384418 /nfs/dbraw/zinc/38/44/18/396384418.db2.gz YMHCHCVTEGJJLC-UHFFFAOYSA-N 1 2 312.391 0.744 10 0 DCAELO COCCN1CCC[N@@H+]([C@@H]2CCCN(C(C)C)C2=O)CC1=O ZINC000190775978 396411306 /nfs/dbraw/zinc/41/13/06/396411306.db2.gz IHIMOEJICUEETC-CQSZACIVSA-N 1 2 311.426 0.567 10 0 DCAELO COCCN1CCC[N@H+]([C@@H]2CCCN(C(C)C)C2=O)CC1=O ZINC000190775978 396411308 /nfs/dbraw/zinc/41/13/08/396411308.db2.gz IHIMOEJICUEETC-CQSZACIVSA-N 1 2 311.426 0.567 10 0 DCAELO CN(C)c1noc(CN2CCCC[C@H]2C[NH+]2CCOCC2)n1 ZINC000192733647 396436701 /nfs/dbraw/zinc/43/67/01/396436701.db2.gz HBSRHJBOBMJCHX-ZDUSSCGKSA-N 1 2 309.414 0.822 10 0 DCAELO CN(C)c1noc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)n1 ZINC000192733647 396436705 /nfs/dbraw/zinc/43/67/05/396436705.db2.gz HBSRHJBOBMJCHX-ZDUSSCGKSA-N 1 2 309.414 0.822 10 0 DCAELO CN(C)c1noc(C[N@H+]2CCCC[C@H]2CN2CCOCC2)n1 ZINC000192733647 396436708 /nfs/dbraw/zinc/43/67/08/396436708.db2.gz HBSRHJBOBMJCHX-ZDUSSCGKSA-N 1 2 309.414 0.822 10 0 DCAELO C[C@](O)(CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)C1CC1 ZINC000561001001 396627516 /nfs/dbraw/zinc/62/75/16/396627516.db2.gz XUCZSPZZXYNOLW-HNNXBMFYSA-N 1 2 302.334 0.550 10 0 DCAELO COC1(c2ccccc2)C[NH+](C[C@@H](O)CN2CCOCC2)C1 ZINC000375577919 396774656 /nfs/dbraw/zinc/77/46/56/396774656.db2.gz MHIJBFGGDKWYPF-INIZCTEOSA-N 1 2 306.406 0.537 10 0 DCAELO CCc1nnsc1C(=O)N1CCN(C)[C@H](c2[nH]cc[nH+]2)C1 ZINC000328624712 396825405 /nfs/dbraw/zinc/82/54/05/396825405.db2.gz KBBXXRXHTZDDEN-JTQLQIEISA-N 1 2 306.395 0.953 10 0 DCAELO CCc1noc(C[NH2+][C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2C)n1 ZINC000328628596 396827033 /nfs/dbraw/zinc/82/70/33/396827033.db2.gz NYCUBQNMSQCDOQ-ABAIWWIYSA-N 1 2 318.381 0.736 10 0 DCAELO O=C1[C@H]([N@@H+]2CC[C@](O)(C(F)(F)F)C2)CCN1C1CCOCC1 ZINC000328678219 396831576 /nfs/dbraw/zinc/83/15/76/396831576.db2.gz SRDHGIDENMIUNP-DGCLKSJQSA-N 1 2 322.327 0.765 10 0 DCAELO O=C1[C@H]([N@H+]2CC[C@](O)(C(F)(F)F)C2)CCN1C1CCOCC1 ZINC000328678219 396831579 /nfs/dbraw/zinc/83/15/79/396831579.db2.gz SRDHGIDENMIUNP-DGCLKSJQSA-N 1 2 322.327 0.765 10 0 DCAELO CC(=O)N1CCN(C(=O)C[N@@H+]2CCO[C@@H](C(F)F)CC2)CC1 ZINC000634750499 396907125 /nfs/dbraw/zinc/90/71/25/396907125.db2.gz YICXWCHXLOCGEH-GFCCVEGCSA-N 1 2 319.352 0.033 10 0 DCAELO CC(=O)N1CCN(C(=O)C[N@H+]2CCO[C@@H](C(F)F)CC2)CC1 ZINC000634750499 396907130 /nfs/dbraw/zinc/90/71/30/396907130.db2.gz YICXWCHXLOCGEH-GFCCVEGCSA-N 1 2 319.352 0.033 10 0 DCAELO CC(=O)c1ccccc1OCC[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000626083727 397075775 /nfs/dbraw/zinc/07/57/75/397075775.db2.gz AHQSXRLLEBMCFZ-ZDUSSCGKSA-N 1 2 306.362 0.844 10 0 DCAELO CC(=O)c1ccccc1OCC[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000626083727 397075780 /nfs/dbraw/zinc/07/57/80/397075780.db2.gz AHQSXRLLEBMCFZ-ZDUSSCGKSA-N 1 2 306.362 0.844 10 0 DCAELO Cn1cccc1C(=O)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000377828007 397148650 /nfs/dbraw/zinc/14/86/50/397148650.db2.gz BZQVTPARJIPECT-CYBMUJFWSA-N 1 2 304.394 0.452 10 0 DCAELO NC(=O)NCC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000407959184 397337248 /nfs/dbraw/zinc/33/72/48/397337248.db2.gz SZHQBFWTBQMKPW-LLVKDONJSA-N 1 2 305.382 0.594 10 0 DCAELO O=C([C@H]1CCCCS1(=O)=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000407965939 397340013 /nfs/dbraw/zinc/34/00/13/397340013.db2.gz MJNJEEPSQSVWLL-UONOGXRCSA-N 1 2 323.418 0.522 10 0 DCAELO CC(=O)CSCC(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594099194 397500260 /nfs/dbraw/zinc/50/02/60/397500260.db2.gz NNOQUMXCGQOFAR-RTXFEEFZSA-N 1 2 302.440 0.923 10 0 DCAELO CC(=O)CSCC(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594099194 397500264 /nfs/dbraw/zinc/50/02/64/397500264.db2.gz NNOQUMXCGQOFAR-RTXFEEFZSA-N 1 2 302.440 0.923 10 0 DCAELO CCc1nc(C(C)(C)NC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)no1 ZINC000579911511 397597377 /nfs/dbraw/zinc/59/73/77/397597377.db2.gz JOVROODCUWILDX-LLVKDONJSA-N 1 2 324.429 0.412 10 0 DCAELO CCc1nc(C(C)(C)NC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)no1 ZINC000579911511 397597379 /nfs/dbraw/zinc/59/73/79/397597379.db2.gz JOVROODCUWILDX-LLVKDONJSA-N 1 2 324.429 0.412 10 0 DCAELO Cc1nnc(CN2CC[NH+](CC(=O)NC3CCCC3)CC2)[nH]1 ZINC000605422694 397664535 /nfs/dbraw/zinc/66/45/35/397664535.db2.gz PTOSWJUVNSSWSH-UHFFFAOYSA-N 1 2 306.414 0.290 10 0 DCAELO Cc1c(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)nnn1C ZINC000607506187 397703139 /nfs/dbraw/zinc/70/31/39/397703139.db2.gz ZNIICHREJHYHLA-ZDUSSCGKSA-N 1 2 307.398 0.450 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)NCCCn2cc[nH+]c2)C[C@@H](C)O1 ZINC000048311820 158005242 /nfs/dbraw/zinc/00/52/42/158005242.db2.gz SHUBCRLHJFXZEQ-VXGBXAGGSA-N 1 2 302.400 0.217 10 0 DCAELO C[C@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+]1CCNC(=O)CC1 ZINC000054258135 158020324 /nfs/dbraw/zinc/02/03/24/158020324.db2.gz HUTLQVWTDAZWRN-NWDGAFQWSA-N 1 2 310.398 0.213 10 0 DCAELO C[C@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+]1CCNC(=O)CC1 ZINC000054258135 158020325 /nfs/dbraw/zinc/02/03/25/158020325.db2.gz HUTLQVWTDAZWRN-NWDGAFQWSA-N 1 2 310.398 0.213 10 0 DCAELO CCOCCOCC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000056968425 158024399 /nfs/dbraw/zinc/02/43/99/158024399.db2.gz RSUCNRXDTJXXMS-UHFFFAOYSA-N 1 2 307.394 0.779 10 0 DCAELO Cc1cc(N2CC[NH+]([C@H](C)C(=O)N(C)C)CC2)n2ncnc2n1 ZINC000105908850 158132401 /nfs/dbraw/zinc/13/24/01/158132401.db2.gz SCZZMDREGJBEJC-GFCCVEGCSA-N 1 2 317.397 0.031 10 0 DCAELO O=Cc1ccccc1OCC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000114858012 158157725 /nfs/dbraw/zinc/15/77/25/158157725.db2.gz YLEYWQMDKOTNKW-OAHLLOKOSA-N 1 2 318.373 0.857 10 0 DCAELO O=Cc1ccccc1OCC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000114858012 158157726 /nfs/dbraw/zinc/15/77/26/158157726.db2.gz YLEYWQMDKOTNKW-OAHLLOKOSA-N 1 2 318.373 0.857 10 0 DCAELO CCOCC[N@@H+]1CCN(C(=O)C(=O)c2cnn(C)c2)C[C@H]1C ZINC000117277107 158170448 /nfs/dbraw/zinc/17/04/48/158170448.db2.gz QRLMOJKTKSXWFT-GFCCVEGCSA-N 1 2 308.382 0.172 10 0 DCAELO CCOCC[N@H+]1CCN(C(=O)C(=O)c2cnn(C)c2)C[C@H]1C ZINC000117277107 158170453 /nfs/dbraw/zinc/17/04/53/158170453.db2.gz QRLMOJKTKSXWFT-GFCCVEGCSA-N 1 2 308.382 0.172 10 0 DCAELO CC[N@H+](C[C@H](C)CS(C)(=O)=O)[C@@H](C)CS(=O)(=O)CC ZINC000119169107 158183736 /nfs/dbraw/zinc/18/37/36/158183736.db2.gz NAOSIVJDTTZRIJ-RYUDHWBXSA-N 1 2 313.485 0.812 10 0 DCAELO CC[N@@H+](C[C@H](C)CS(C)(=O)=O)[C@@H](C)CS(=O)(=O)CC ZINC000119169107 158183738 /nfs/dbraw/zinc/18/37/38/158183738.db2.gz NAOSIVJDTTZRIJ-RYUDHWBXSA-N 1 2 313.485 0.812 10 0 DCAELO CCCN(C)S(=O)(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000121340944 158210513 /nfs/dbraw/zinc/21/05/13/158210513.db2.gz OLANFOBXXCHDKA-QWHCGFSZSA-N 1 2 305.444 0.226 10 0 DCAELO Cc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000123156963 158227411 /nfs/dbraw/zinc/22/74/11/158227411.db2.gz JVBPRFWSTPBBOB-NFAWXSAZSA-N 1 2 319.405 0.574 10 0 DCAELO Cc1ccccc1CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000123156963 158227412 /nfs/dbraw/zinc/22/74/12/158227412.db2.gz JVBPRFWSTPBBOB-NFAWXSAZSA-N 1 2 319.405 0.574 10 0 DCAELO O=S(=O)(NC[C@H]1C[N@@H+](C2CC2)CCO1)N1CCCCCC1 ZINC000123657333 158232535 /nfs/dbraw/zinc/23/25/35/158232535.db2.gz PNLDWKRPOGQVPW-AWEZNQCLSA-N 1 2 317.455 0.560 10 0 DCAELO O=S(=O)(NC[C@H]1C[N@H+](C2CC2)CCO1)N1CCCCCC1 ZINC000123657333 158232538 /nfs/dbraw/zinc/23/25/38/158232538.db2.gz PNLDWKRPOGQVPW-AWEZNQCLSA-N 1 2 317.455 0.560 10 0 DCAELO Cn1ncc(C(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c1-n1cccc1 ZINC000124140143 158237862 /nfs/dbraw/zinc/23/78/62/158237862.db2.gz AIZIQSGSAMZXHQ-UONOGXRCSA-N 1 2 315.377 0.366 10 0 DCAELO Cn1ncc(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c1-n1cccc1 ZINC000124140143 158237864 /nfs/dbraw/zinc/23/78/64/158237864.db2.gz AIZIQSGSAMZXHQ-UONOGXRCSA-N 1 2 315.377 0.366 10 0 DCAELO CC(C)[C@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)C(N)=O ZINC000134756567 158331280 /nfs/dbraw/zinc/33/12/80/158331280.db2.gz VUUBDJHMSKEVCK-AWEZNQCLSA-N 1 2 319.409 0.860 10 0 DCAELO CCNC(=O)NC1(C(=O)NC[C@@H]2C[N@H+](C)CCO2)CCCC1 ZINC000170683703 158375897 /nfs/dbraw/zinc/37/58/97/158375897.db2.gz BFEFSUDYYKPDRH-GFCCVEGCSA-N 1 2 312.414 0.065 10 0 DCAELO CCNC(=O)NC1(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CCCC1 ZINC000170683703 158375899 /nfs/dbraw/zinc/37/58/99/158375899.db2.gz BFEFSUDYYKPDRH-GFCCVEGCSA-N 1 2 312.414 0.065 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)NCCSC(F)(F)F)C1 ZINC000170922565 158378139 /nfs/dbraw/zinc/37/81/39/158378139.db2.gz NANCAVAOVKGAMH-QMMMGPOBSA-N 1 2 301.334 0.869 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)NCCSC(F)(F)F)C1 ZINC000170922565 158378141 /nfs/dbraw/zinc/37/81/41/158378141.db2.gz NANCAVAOVKGAMH-QMMMGPOBSA-N 1 2 301.334 0.869 10 0 DCAELO C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2cccc3ncccc32)C1 ZINC000171094264 158379304 /nfs/dbraw/zinc/37/93/04/158379304.db2.gz BKSZHTFMZKNBBE-GFCCVEGCSA-N 1 2 321.402 0.844 10 0 DCAELO C[N@H+]1CCO[C@H](CNS(=O)(=O)c2cccc3ncccc32)C1 ZINC000171094264 158379306 /nfs/dbraw/zinc/37/93/06/158379306.db2.gz BKSZHTFMZKNBBE-GFCCVEGCSA-N 1 2 321.402 0.844 10 0 DCAELO NS(=O)(=O)CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000172260771 158393458 /nfs/dbraw/zinc/39/34/58/158393458.db2.gz RNJVFCLQYOZWRQ-SECBINFHSA-N 1 2 318.424 0.225 10 0 DCAELO NS(=O)(=O)CCC[N@H+]1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000172260771 158393459 /nfs/dbraw/zinc/39/34/59/158393459.db2.gz RNJVFCLQYOZWRQ-SECBINFHSA-N 1 2 318.424 0.225 10 0 DCAELO C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172747986 158398364 /nfs/dbraw/zinc/39/83/64/158398364.db2.gz RFCWLIOWFSXODT-QWHCGFSZSA-N 1 2 311.426 0.470 10 0 DCAELO C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172747990 158398870 /nfs/dbraw/zinc/39/88/70/158398870.db2.gz RFCWLIOWFSXODT-CHWSQXEVSA-N 1 2 311.426 0.470 10 0 DCAELO O=C(NC[C@H]1CCN(CC(F)(F)F)C1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263097206 158856134 /nfs/dbraw/zinc/85/61/34/158856134.db2.gz YZKFVUPVUKLFDP-RKDXNWHRSA-N 1 2 315.286 0.984 10 0 DCAELO O=C(NCCN1C(=O)Cc2ccccc21)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263303419 158871391 /nfs/dbraw/zinc/87/13/91/158871391.db2.gz XJBTVONKQSXRQF-LLVKDONJSA-N 1 2 309.316 0.689 10 0 DCAELO CCS(=O)(=O)C1CC[NH+]([C@@H]2CCN(C3CC3)C2=O)CC1 ZINC000328611926 159015550 /nfs/dbraw/zinc/01/55/50/159015550.db2.gz OWKBFKILAUHYAY-CYBMUJFWSA-N 1 2 300.424 0.649 10 0 DCAELO CN1C[C@H](C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)CC1=O ZINC000328653735 159017480 /nfs/dbraw/zinc/01/74/80/159017480.db2.gz LHRSKVAWWAYAPH-TZMCWYRMSA-N 1 2 305.353 0.777 10 0 DCAELO C[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC(=O)N1C ZINC000328729339 159024811 /nfs/dbraw/zinc/02/48/11/159024811.db2.gz WBPOAXAVRGSJJT-TZMCWYRMSA-N 1 2 309.410 0.176 10 0 DCAELO C[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC(=O)N1C ZINC000328729339 159024814 /nfs/dbraw/zinc/02/48/14/159024814.db2.gz WBPOAXAVRGSJJT-TZMCWYRMSA-N 1 2 309.410 0.176 10 0 DCAELO C[C@H](CC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1)N1CCCCC1=O ZINC000328755031 159027236 /nfs/dbraw/zinc/02/72/36/159027236.db2.gz SQKPMVKQDTZIQY-MGPQQGTHSA-N 1 2 309.410 0.319 10 0 DCAELO C[C@H](CC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1)N1CCCCC1=O ZINC000328755031 159027238 /nfs/dbraw/zinc/02/72/38/159027238.db2.gz SQKPMVKQDTZIQY-MGPQQGTHSA-N 1 2 309.410 0.319 10 0 DCAELO Cc1nn(C)c(C)c1[C@H]1COCC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC000329150770 159067829 /nfs/dbraw/zinc/06/78/29/159067829.db2.gz RWEKUFXJOATJGM-HUUCEWRRSA-N 1 2 319.409 0.668 10 0 DCAELO Cc1nn(C)c(C)c1[C@H]1COCC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC000329150770 159067830 /nfs/dbraw/zinc/06/78/30/159067830.db2.gz RWEKUFXJOATJGM-HUUCEWRRSA-N 1 2 319.409 0.668 10 0 DCAELO Cc1nccc(CCC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)n1 ZINC000329210661 159072935 /nfs/dbraw/zinc/07/29/35/159072935.db2.gz ZSEVQPHQKALVTL-HUUCEWRRSA-N 1 2 304.394 0.649 10 0 DCAELO Cc1nccc(CCC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)n1 ZINC000329210661 159072937 /nfs/dbraw/zinc/07/29/37/159072937.db2.gz ZSEVQPHQKALVTL-HUUCEWRRSA-N 1 2 304.394 0.649 10 0 DCAELO C[C@H]1CCN(S(=O)(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000329409113 159090005 /nfs/dbraw/zinc/09/00/05/159090005.db2.gz BEFJKXCWDJPRJK-AAEUAGOBSA-N 1 2 303.428 0.026 10 0 DCAELO C[C@H]1CCN(S(=O)(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000329409113 159090007 /nfs/dbraw/zinc/09/00/07/159090007.db2.gz BEFJKXCWDJPRJK-AAEUAGOBSA-N 1 2 303.428 0.026 10 0 DCAELO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1cnn2cccnc12 ZINC000329554373 159101529 /nfs/dbraw/zinc/10/15/29/159101529.db2.gz GRWJBZANRJQOPQ-TZMCWYRMSA-N 1 2 315.377 0.665 10 0 DCAELO COc1coc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)cc1=O ZINC000329641162 159108322 /nfs/dbraw/zinc/10/83/22/159108322.db2.gz CMKDOGHTPSDWBC-VXGBXAGGSA-N 1 2 322.361 0.584 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ncn(C(C)(C)C)n3)C[C@@H]21 ZINC000329751966 159117206 /nfs/dbraw/zinc/11/72/06/159117206.db2.gz VZIOAMZAZMUDDI-NWDGAFQWSA-N 1 2 307.398 0.578 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ncn(C(C)(C)C)n3)C[C@@H]21 ZINC000329751966 159117208 /nfs/dbraw/zinc/11/72/08/159117208.db2.gz VZIOAMZAZMUDDI-NWDGAFQWSA-N 1 2 307.398 0.578 10 0 DCAELO Cc1ccn(C[C@@](C)(O)C(=O)N2CC[NH+](C3CC3)CC2)c(=O)c1 ZINC000329879013 159125940 /nfs/dbraw/zinc/12/59/40/159125940.db2.gz LQVVJUWBUGMSPG-QGZVFWFLSA-N 1 2 319.405 0.214 10 0 DCAELO Cn1cc(C[N@H+](C)C[C@@H]2C[C@H](F)CN2Cc2ncccn2)nn1 ZINC000329954861 159131262 /nfs/dbraw/zinc/13/12/62/159131262.db2.gz NZXBPLWAPRRJFG-JSGCOSHPSA-N 1 2 319.388 0.650 10 0 DCAELO Cn1cc(C[N@@H+](C)C[C@@H]2C[C@H](F)CN2Cc2ncccn2)nn1 ZINC000329954861 159131265 /nfs/dbraw/zinc/13/12/65/159131265.db2.gz NZXBPLWAPRRJFG-JSGCOSHPSA-N 1 2 319.388 0.650 10 0 DCAELO C[C@H](CC(=O)N(C)CC[NH+]1CCOCC1)N1CCCCC1=O ZINC000330034317 159137212 /nfs/dbraw/zinc/13/72/12/159137212.db2.gz WHEJZSGYACTMIA-CQSZACIVSA-N 1 2 311.426 0.568 10 0 DCAELO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N[C@H]1CCCNC1=O)CCC2 ZINC000332679232 159211153 /nfs/dbraw/zinc/21/11/53/159211153.db2.gz GFIRTJPFQOVZBA-NEPJUHHUSA-N 1 2 305.382 0.647 10 0 DCAELO CC(C)C(=O)N[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCN(C)CC2)C1 ZINC000407979108 160001647 /nfs/dbraw/zinc/00/16/47/160001647.db2.gz PEWOFBJAQGIGII-LSDHHAIUSA-N 1 2 324.469 0.386 10 0 DCAELO O=C(c1cncc(N2CCOCC2)c1)N1CCn2cc[nH+]c2C1 ZINC000408003576 160007743 /nfs/dbraw/zinc/00/77/43/160007743.db2.gz JPIWPNIPRTXADI-UHFFFAOYSA-N 1 2 313.361 0.771 10 0 DCAELO CC[C@@H]1CN(C(=O)c2cncc(O)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000408004145 160008674 /nfs/dbraw/zinc/00/86/74/160008674.db2.gz KOSNLSLUIBWYMW-DOMZBBRYSA-N 1 2 305.378 0.970 10 0 DCAELO O=C(C[N@H+]1C[C@@H](F)C[C@H]1CO)N1CCO[C@@H]2CCCC[C@H]21 ZINC000408047152 160023096 /nfs/dbraw/zinc/02/30/96/160023096.db2.gz OIVDKBFMYSZADU-IGQOVBAYSA-N 1 2 300.374 0.561 10 0 DCAELO O=C(C[N@@H+]1C[C@@H](F)C[C@H]1CO)N1CCO[C@@H]2CCCC[C@H]21 ZINC000408047152 160023098 /nfs/dbraw/zinc/02/30/98/160023098.db2.gz OIVDKBFMYSZADU-IGQOVBAYSA-N 1 2 300.374 0.561 10 0 DCAELO COC(=O)c1cc(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)c[nH]1 ZINC000408075539 160030356 /nfs/dbraw/zinc/03/03/56/160030356.db2.gz YOXXZDUAZJOQDD-CHWSQXEVSA-N 1 2 307.350 0.346 10 0 DCAELO COC(=O)c1cc(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)c[nH]1 ZINC000408075539 160030357 /nfs/dbraw/zinc/03/03/57/160030357.db2.gz YOXXZDUAZJOQDD-CHWSQXEVSA-N 1 2 307.350 0.346 10 0 DCAELO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCc2cncnc2C1 ZINC000408092989 160034165 /nfs/dbraw/zinc/03/41/65/160034165.db2.gz MJMOJPYGLRBJHI-SNVBAGLBSA-N 1 2 305.382 0.848 10 0 DCAELO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCc2cncnc2C1 ZINC000408092989 160034166 /nfs/dbraw/zinc/03/41/66/160034166.db2.gz MJMOJPYGLRBJHI-SNVBAGLBSA-N 1 2 305.382 0.848 10 0 DCAELO CS(=O)(=O)C1(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CCCC1 ZINC000408092512 160034382 /nfs/dbraw/zinc/03/43/82/160034382.db2.gz SHBWFGAAVGWOHS-GFCCVEGCSA-N 1 2 300.424 0.650 10 0 DCAELO CS(=O)(=O)C1(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CCCC1 ZINC000408092512 160034383 /nfs/dbraw/zinc/03/43/83/160034383.db2.gz SHBWFGAAVGWOHS-GFCCVEGCSA-N 1 2 300.424 0.650 10 0 DCAELO Cc1ccc(S(=O)(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)o1 ZINC000408099455 160035653 /nfs/dbraw/zinc/03/56/53/160035653.db2.gz WDPBZDLYWZJDJC-ZDUSSCGKSA-N 1 2 314.407 0.931 10 0 DCAELO CC(C)S(=O)(=O)CC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000408183947 160053948 /nfs/dbraw/zinc/05/39/48/160053948.db2.gz VMMIJDBFKPATCQ-OLZOCXBDSA-N 1 2 302.440 0.895 10 0 DCAELO CC(C)S(=O)(=O)CC(=O)N1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000408183947 160053949 /nfs/dbraw/zinc/05/39/49/160053949.db2.gz VMMIJDBFKPATCQ-OLZOCXBDSA-N 1 2 302.440 0.895 10 0 DCAELO C[C@@H]1CCCN1S(=O)(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000408291046 160077543 /nfs/dbraw/zinc/07/75/43/160077543.db2.gz VBJBFXBBWOHSEC-GFCCVEGCSA-N 1 2 313.427 0.256 10 0 DCAELO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2cncc(F)c2)C[C@@H]1C ZINC000408431961 160106927 /nfs/dbraw/zinc/10/69/27/160106927.db2.gz CODJCXZUSQTGAU-WDEREUQCSA-N 1 2 317.386 0.296 10 0 DCAELO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2cncc(F)c2)C[C@@H]1C ZINC000408431961 160106929 /nfs/dbraw/zinc/10/69/29/160106929.db2.gz CODJCXZUSQTGAU-WDEREUQCSA-N 1 2 317.386 0.296 10 0 DCAELO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)N2CCCC[C@@H]2C)CC1 ZINC000408431749 160106974 /nfs/dbraw/zinc/10/69/74/160106974.db2.gz BKHBRWBKLVCKQO-KBPBESRZSA-N 1 2 319.471 0.494 10 0 DCAELO C[C@@H](C(=O)N1CCSc2ccccc21)[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000408440584 160108736 /nfs/dbraw/zinc/10/87/36/160108736.db2.gz DHRPOYBDEYZVSC-WCFLWFBJSA-N 1 2 308.403 0.551 10 0 DCAELO C[C@@H](C(=O)N1CCSc2ccccc21)[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000408440584 160108738 /nfs/dbraw/zinc/10/87/38/160108738.db2.gz DHRPOYBDEYZVSC-WCFLWFBJSA-N 1 2 308.403 0.551 10 0 DCAELO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)CCCCOC)CC1 ZINC000136124715 287025673 /nfs/dbraw/zinc/02/56/73/287025673.db2.gz FEZCEZPGZBJYGD-CYBMUJFWSA-N 1 2 308.444 0.131 10 0 DCAELO Cc1ccc(OC[C@@H](O)C[NH+]2CCN(C(=O)[C@H](C)O)CC2)cc1 ZINC000152755601 287044178 /nfs/dbraw/zinc/04/41/78/287044178.db2.gz JULCXADWJFTDND-GJZGRUSLSA-N 1 2 322.405 0.260 10 0 DCAELO CC(C)Cn1cc[nH+]c1CNC(=O)N1CCN(C)C(=O)[C@H]1C ZINC000186830678 287057932 /nfs/dbraw/zinc/05/79/32/287057932.db2.gz NBRJAXRNDNRRRM-GFCCVEGCSA-N 1 2 307.398 0.911 10 0 DCAELO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)N2CCC[C@H]2C)CC1 ZINC000248668285 287099500 /nfs/dbraw/zinc/09/95/00/287099500.db2.gz ADOFRTYUNWIUHT-CHWSQXEVSA-N 1 2 305.444 0.104 10 0 DCAELO COCCO[C@@H]1CCN(c2cc(N3CCC[C@H]3CO)nc[nH+]2)C1 ZINC000249081718 287106032 /nfs/dbraw/zinc/10/60/32/287106032.db2.gz QPMAVEGAXOIMHB-UONOGXRCSA-N 1 2 322.409 0.679 10 0 DCAELO COCCO[C@@H]1CCN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)C1 ZINC000249081718 287106034 /nfs/dbraw/zinc/10/60/34/287106034.db2.gz QPMAVEGAXOIMHB-UONOGXRCSA-N 1 2 322.409 0.679 10 0 DCAELO COC(=O)c1cc(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)no1 ZINC000408061004 287233181 /nfs/dbraw/zinc/23/31/81/287233181.db2.gz VFRVVPRYRPWIHD-WDEREUQCSA-N 1 2 309.322 0.006 10 0 DCAELO COC(=O)c1cc(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)no1 ZINC000408061004 287233182 /nfs/dbraw/zinc/23/31/82/287233182.db2.gz VFRVVPRYRPWIHD-WDEREUQCSA-N 1 2 309.322 0.006 10 0 DCAELO O=c1ccnc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)[nH]1 ZINC000003642925 415130818 /nfs/dbraw/zinc/13/08/18/415130818.db2.gz AULQVXZKKOEICL-UHFFFAOYSA-N 1 2 314.345 0.821 10 0 DCAELO CN(C)CC[NH+]1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000078314688 415464226 /nfs/dbraw/zinc/46/42/26/415464226.db2.gz BUSDSYHNIDZZBL-UHFFFAOYSA-N 1 2 316.405 0.888 10 0 DCAELO COCCN1C[C@@H](C(=O)N(C)c2ccc[nH+]c2N(C)C)CC1=O ZINC000079725980 415474111 /nfs/dbraw/zinc/47/41/11/415474111.db2.gz YKLINEXBORLENF-LBPRGKRZSA-N 1 2 320.393 0.605 10 0 DCAELO Cn1cc[nH+]c1[C@@H]1CN(C(=O)[C@@]2(O)CCSC2)CCN1C ZINC000276716608 415477926 /nfs/dbraw/zinc/47/79/26/415477926.db2.gz PYICSSYRTBAISW-SMDDNHRTSA-N 1 2 310.423 0.103 10 0 DCAELO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000333108660 415560845 /nfs/dbraw/zinc/56/08/45/415560845.db2.gz DOZOQGVPBQLHON-BARDWOONSA-N 1 2 316.467 0.893 10 0 DCAELO C[C@@H]1OCC[C@@]1(O)CNC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000333374685 415628751 /nfs/dbraw/zinc/62/87/51/415628751.db2.gz DQUYZGNYCBZQRP-YSVLISHTSA-N 1 2 304.390 0.917 10 0 DCAELO C[C@@H]1OCC[C@@]1(O)CNC(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000333374685 415628761 /nfs/dbraw/zinc/62/87/61/415628761.db2.gz DQUYZGNYCBZQRP-YSVLISHTSA-N 1 2 304.390 0.917 10 0 DCAELO CN(C(=O)[C@H](Cc1ccccc1)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000106901600 415652200 /nfs/dbraw/zinc/65/22/00/415652200.db2.gz FRPNABMVOAPFTR-GJZGRUSLSA-N 1 2 324.446 0.805 10 0 DCAELO C[N@H+](CCN1CCOCC1)CC(=O)Nc1nc2c(s1)CCC2 ZINC000114464569 415720921 /nfs/dbraw/zinc/72/09/21/415720921.db2.gz HIBNWGIQRHTQQN-UHFFFAOYSA-N 1 2 324.450 0.834 10 0 DCAELO C[N@@H+](CCN1CCOCC1)CC(=O)Nc1nc2c(s1)CCC2 ZINC000114464569 415720926 /nfs/dbraw/zinc/72/09/26/415720926.db2.gz HIBNWGIQRHTQQN-UHFFFAOYSA-N 1 2 324.450 0.834 10 0 DCAELO CN(CC[NH+]1CCOCC1)CC(=O)Nc1nc2c(s1)CCC2 ZINC000114464569 415720931 /nfs/dbraw/zinc/72/09/31/415720931.db2.gz HIBNWGIQRHTQQN-UHFFFAOYSA-N 1 2 324.450 0.834 10 0 DCAELO NC(=O)[C@@]1(O)CC[N@H+](Cc2cncc(Br)c2)C1 ZINC000336711850 415815085 /nfs/dbraw/zinc/81/50/85/415815085.db2.gz PVPJBDPKTKEASE-LLVKDONJSA-N 1 2 300.156 0.266 10 0 DCAELO NC(=O)[C@@]1(O)CC[N@@H+](Cc2cncc(Br)c2)C1 ZINC000336711850 415815089 /nfs/dbraw/zinc/81/50/89/415815089.db2.gz PVPJBDPKTKEASE-LLVKDONJSA-N 1 2 300.156 0.266 10 0 DCAELO CCC(CC)(CO)CNC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000127944291 415890357 /nfs/dbraw/zinc/89/03/57/415890357.db2.gz JZDBYSQNEBKBBW-CYBMUJFWSA-N 1 2 301.431 0.805 10 0 DCAELO C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H]2CCCc3[nH]ncc32)CC1 ZINC000132657692 415936098 /nfs/dbraw/zinc/93/60/98/415936098.db2.gz GZBRYPPFKAJVRH-GFCCVEGCSA-N 1 2 319.409 0.062 10 0 DCAELO O=S(=O)(CC1CCOCC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000173030975 416051965 /nfs/dbraw/zinc/05/19/65/416051965.db2.gz FRZXKFFFDFXARN-AWEZNQCLSA-N 1 2 302.440 0.913 10 0 DCAELO O=S(=O)(CC1CCOCC1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000173030975 416051967 /nfs/dbraw/zinc/05/19/67/416051967.db2.gz FRZXKFFFDFXARN-AWEZNQCLSA-N 1 2 302.440 0.913 10 0 DCAELO Cc1nnc([C@@H]2C[N@H+](Cc3cccc(C(N)=O)c3)CCO2)[nH]1 ZINC000173672224 416063456 /nfs/dbraw/zinc/06/34/56/416063456.db2.gz JDAVBKAJCCGDBO-ZDUSSCGKSA-N 1 2 301.350 0.786 10 0 DCAELO Cc1nnc([C@@H]2C[N@@H+](Cc3cccc(C(N)=O)c3)CCO2)[nH]1 ZINC000173672224 416063458 /nfs/dbraw/zinc/06/34/58/416063458.db2.gz JDAVBKAJCCGDBO-ZDUSSCGKSA-N 1 2 301.350 0.786 10 0 DCAELO C[C@H](CNC(=O)NCCCC(C)(C)CO)[NH+]1CCOCC1 ZINC000173826056 416065465 /nfs/dbraw/zinc/06/54/65/416065465.db2.gz VIOFOMVLPZWJRL-CYBMUJFWSA-N 1 2 301.431 0.805 10 0 DCAELO O=C(NCCc1cccnc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173773227 416066430 /nfs/dbraw/zinc/06/64/30/416066430.db2.gz LMCDXILXWYJPRW-HNNXBMFYSA-N 1 2 304.394 0.740 10 0 DCAELO C[C@@H]1CN(C(=O)c2cccc(C(N)=O)c2)C[C@H]1[NH+]1CCOCC1 ZINC000173971089 416069542 /nfs/dbraw/zinc/06/95/42/416069542.db2.gz NNDGEMGOYKPQBU-IUODEOHRSA-N 1 2 317.389 0.578 10 0 DCAELO CCc1cnc(CCNC(=O)NC[C@@H]2C[N@H+](C)CCO2)s1 ZINC000174163342 416074224 /nfs/dbraw/zinc/07/42/24/416074224.db2.gz HFSZBHHPFWINQX-LLVKDONJSA-N 1 2 312.439 0.878 10 0 DCAELO CCc1cnc(CCNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)s1 ZINC000174163342 416074227 /nfs/dbraw/zinc/07/42/27/416074227.db2.gz HFSZBHHPFWINQX-LLVKDONJSA-N 1 2 312.439 0.878 10 0 DCAELO C[C@@H]1C[C@H]1NC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000170821859 416033493 /nfs/dbraw/zinc/03/34/93/416033493.db2.gz KJDKOLFVSSQWNQ-IUODEOHRSA-N 1 2 317.389 0.982 10 0 DCAELO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(C)(C)OC)CC1 ZINC000171664922 416041113 /nfs/dbraw/zinc/04/11/13/416041113.db2.gz BTPVNMUYNYXGJZ-UHFFFAOYSA-N 1 2 313.442 0.814 10 0 DCAELO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(C)(C)OC)CC1 ZINC000171664922 416041117 /nfs/dbraw/zinc/04/11/17/416041117.db2.gz BTPVNMUYNYXGJZ-UHFFFAOYSA-N 1 2 313.442 0.814 10 0 DCAELO O=C(C[N@H+]1CC[C@@](O)(C(F)(F)F)C1)NC(=O)NC1CCCC1 ZINC000174743825 416086688 /nfs/dbraw/zinc/08/66/88/416086688.db2.gz GMSSYQZHVNWFQT-LBPRGKRZSA-N 1 2 323.315 0.754 10 0 DCAELO O=C(C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1)NC(=O)NC1CCCC1 ZINC000174743825 416086692 /nfs/dbraw/zinc/08/66/92/416086692.db2.gz GMSSYQZHVNWFQT-LBPRGKRZSA-N 1 2 323.315 0.754 10 0 DCAELO CCCNC(=O)c1ccc(NC[C@@H]2C[NH+]3CCN2CC3)nc1 ZINC000301786250 416092726 /nfs/dbraw/zinc/09/27/26/416092726.db2.gz PNDUYKLZAAKXFD-CQSZACIVSA-N 1 2 303.410 0.633 10 0 DCAELO CCCNC(=O)c1ccc(NC[C@@H]2CN3CC[NH+]2CC3)nc1 ZINC000301786250 416092729 /nfs/dbraw/zinc/09/27/29/416092729.db2.gz PNDUYKLZAAKXFD-CQSZACIVSA-N 1 2 303.410 0.633 10 0 DCAELO COC[C@H](NC(=O)NC[C@@H](C)[NH+]1CCOCC1)c1ccco1 ZINC000175273887 416100100 /nfs/dbraw/zinc/10/01/00/416100100.db2.gz PSVVPQNFOSOKIK-OLZOCXBDSA-N 1 2 311.382 0.987 10 0 DCAELO CC(C)Cn1cc[nH+]c1CNC(=O)NCCNC(=O)C1CC1 ZINC000175326410 416102085 /nfs/dbraw/zinc/10/20/85/416102085.db2.gz QHSDALZTNWVKHC-UHFFFAOYSA-N 1 2 307.398 0.865 10 0 DCAELO Cn1ccc(N2CCC[C@@H]([N@H+](C)CC(=O)NC(C)(C)C)C2=O)n1 ZINC000175501931 416108014 /nfs/dbraw/zinc/10/80/14/416108014.db2.gz QTFXRXCSNTTYMF-GFCCVEGCSA-N 1 2 321.425 0.762 10 0 DCAELO Cn1ccc(N2CCC[C@@H]([N@@H+](C)CC(=O)NC(C)(C)C)C2=O)n1 ZINC000175501931 416108019 /nfs/dbraw/zinc/10/80/19/416108019.db2.gz QTFXRXCSNTTYMF-GFCCVEGCSA-N 1 2 321.425 0.762 10 0 DCAELO C[NH+]1CCN([C@@H]2CCCCN(C(=O)Cc3cc[nH]n3)C2)CC1 ZINC000175992918 416119403 /nfs/dbraw/zinc/11/94/03/416119403.db2.gz FHGOXTWNWJOQCT-OAHLLOKOSA-N 1 2 305.426 0.581 10 0 DCAELO Cc1conc1NC(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000328655043 416125797 /nfs/dbraw/zinc/12/57/97/416125797.db2.gz XZZDRHXLCDEVGL-CYBMUJFWSA-N 1 2 308.382 1.558 10 0 DCAELO Cc1conc1NC(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000328655043 416125799 /nfs/dbraw/zinc/12/57/99/416125799.db2.gz XZZDRHXLCDEVGL-CYBMUJFWSA-N 1 2 308.382 1.558 10 0 DCAELO CCNc1nc(NC(C)(C)C)nc(NC[C@H](CO)C2CC2)[nH+]1 ZINC000357783877 416132121 /nfs/dbraw/zinc/13/21/21/416132121.db2.gz PJWMZCZHOYWXLV-LLVKDONJSA-N 1 2 308.430 0.788 10 0 DCAELO CCNc1nc(NC[C@H](CO)C2CC2)nc(NC(C)(C)C)[nH+]1 ZINC000357783877 416132123 /nfs/dbraw/zinc/13/21/23/416132123.db2.gz PJWMZCZHOYWXLV-LLVKDONJSA-N 1 2 308.430 0.788 10 0 DCAELO CCNc1nc(NC[C@H](CO)C2CC2)[nH+]c(NC(C)(C)C)n1 ZINC000357783877 416132126 /nfs/dbraw/zinc/13/21/26/416132126.db2.gz PJWMZCZHOYWXLV-LLVKDONJSA-N 1 2 308.430 0.788 10 0 DCAELO CCc1nnc(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)s1 ZINC000328950410 416140754 /nfs/dbraw/zinc/14/07/54/416140754.db2.gz LGXXGOOUDHNFJW-VHSXEESVSA-N 1 2 311.411 1.037 10 0 DCAELO CCc1nnc(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)s1 ZINC000328950410 416140756 /nfs/dbraw/zinc/14/07/56/416140756.db2.gz LGXXGOOUDHNFJW-VHSXEESVSA-N 1 2 311.411 1.037 10 0 DCAELO C[C@H]1CN(CC(=O)NCC(F)(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC000177282540 416145011 /nfs/dbraw/zinc/14/50/11/416145011.db2.gz JZYNGFGDWGLKMN-QWRGUYRKSA-N 1 2 309.332 0.317 10 0 DCAELO C[C@H]1C[N@H+](CC(=O)NCC(F)(F)F)C[C@@H]1N1CCOCC1 ZINC000177282540 416145016 /nfs/dbraw/zinc/14/50/16/416145016.db2.gz JZYNGFGDWGLKMN-QWRGUYRKSA-N 1 2 309.332 0.317 10 0 DCAELO C[C@H]1C[N@@H+](CC(=O)NCC(F)(F)F)C[C@@H]1N1CCOCC1 ZINC000177282540 416145019 /nfs/dbraw/zinc/14/50/19/416145019.db2.gz JZYNGFGDWGLKMN-QWRGUYRKSA-N 1 2 309.332 0.317 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)C1 ZINC000177498886 416146961 /nfs/dbraw/zinc/14/69/61/416146961.db2.gz KQYOHKOPSLVEFG-KGLIPLIRSA-N 1 2 307.398 0.388 10 0 DCAELO CN1CCO[C@@H](CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)C1 ZINC000177498886 416146971 /nfs/dbraw/zinc/14/69/71/416146971.db2.gz KQYOHKOPSLVEFG-KGLIPLIRSA-N 1 2 307.398 0.388 10 0 DCAELO O=C(CCC(=O)N1CCOCC1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177743649 416151433 /nfs/dbraw/zinc/15/14/33/416151433.db2.gz WMBFYTLRQQTKIO-CQSZACIVSA-N 1 2 320.393 0.513 10 0 DCAELO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1cc2ccccc2c(=O)[nH]1 ZINC000178642021 416167973 /nfs/dbraw/zinc/16/79/73/416167973.db2.gz JCWARZUPHKVPTO-CYBMUJFWSA-N 1 2 312.373 0.258 10 0 DCAELO O=C(NC[C@@H]1C[NH+]2CCN1CC2)C(=O)Nc1cc(F)cc(F)c1 ZINC000178957112 416178849 /nfs/dbraw/zinc/17/88/49/416178849.db2.gz MHXAYSNBTKNMLA-CYBMUJFWSA-N 1 2 324.331 0.019 10 0 DCAELO Cc1ccc(NC(=O)C(=O)NC[C@H]2C[NH+]3CCN2CC3)cc1F ZINC000178967137 416179153 /nfs/dbraw/zinc/17/91/53/416179153.db2.gz CKURGXOQVTZIRQ-ZDUSSCGKSA-N 1 2 320.368 0.189 10 0 DCAELO OC[C@H]1C[C@@H](O)C[N@@H+]1Cc1nc(CCc2ccccc2)no1 ZINC000179182756 416184238 /nfs/dbraw/zinc/18/42/38/416184238.db2.gz IOLUTUKQLBNLOA-ZIAGYGMSSA-N 1 2 303.362 0.782 10 0 DCAELO OC[C@H]1C[C@@H](O)C[N@H+]1Cc1nc(CCc2ccccc2)no1 ZINC000179182756 416184242 /nfs/dbraw/zinc/18/42/42/416184242.db2.gz IOLUTUKQLBNLOA-ZIAGYGMSSA-N 1 2 303.362 0.782 10 0 DCAELO Cc1cc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2cnn(C)c2)c(C)o1 ZINC000181691880 416211235 /nfs/dbraw/zinc/21/12/35/416211235.db2.gz IEGQZMLWFAPHHN-ZDUSSCGKSA-N 1 2 324.406 0.965 10 0 DCAELO Cc1cc(N2CC[NH+]([C@@H](C)C(=O)NC[C@@H]3CCCO3)CC2)n[nH]1 ZINC000187192120 416260605 /nfs/dbraw/zinc/26/06/05/416260605.db2.gz UQCUVIXRKDWIBZ-KBPBESRZSA-N 1 2 321.425 0.524 10 0 DCAELO CCc1cccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1 ZINC000190051410 416273636 /nfs/dbraw/zinc/27/36/36/416273636.db2.gz IQQLREBYQUOBOL-ZDUSSCGKSA-N 1 2 319.405 0.713 10 0 DCAELO CCc1cccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1 ZINC000190051410 416273638 /nfs/dbraw/zinc/27/36/38/416273638.db2.gz IQQLREBYQUOBOL-ZDUSSCGKSA-N 1 2 319.405 0.713 10 0 DCAELO C[C@@H]1C[N@H+](CC(=O)N(C)[C@@H]2CCCC[C@H]2C)C[C@H](C(N)=O)O1 ZINC000246486409 416331999 /nfs/dbraw/zinc/33/19/99/416331999.db2.gz NMLDNOZIRSHLRX-AAVRWANBSA-N 1 2 311.426 0.598 10 0 DCAELO C[C@@H]1C[N@@H+](CC(=O)N(C)[C@@H]2CCCC[C@H]2C)C[C@H](C(N)=O)O1 ZINC000246486409 416332000 /nfs/dbraw/zinc/33/20/00/416332000.db2.gz NMLDNOZIRSHLRX-AAVRWANBSA-N 1 2 311.426 0.598 10 0 DCAELO Cn1nnnc1C[NH2+][C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1 ZINC000583620119 416480565 /nfs/dbraw/zinc/48/05/65/416480565.db2.gz ABNWKJIUMCEIBQ-DOMZBBRYSA-N 1 2 313.365 0.199 10 0 DCAELO OC[C@@H]1CCCCN1c1cc(NC[C@H](O)C(F)F)[nH+]cn1 ZINC000435605357 416525659 /nfs/dbraw/zinc/52/56/59/416525659.db2.gz SLRMEFNYJYIPDQ-UWVGGRQHSA-N 1 2 302.325 0.866 10 0 DCAELO OC[C@@H]1CCCCN1c1cc(NC[C@H](O)C(F)F)nc[nH+]1 ZINC000435605357 416525663 /nfs/dbraw/zinc/52/56/63/416525663.db2.gz SLRMEFNYJYIPDQ-UWVGGRQHSA-N 1 2 302.325 0.866 10 0 DCAELO O=C(NCCF)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000437546070 416584912 /nfs/dbraw/zinc/58/49/12/416584912.db2.gz LKYBTACEFIWKFU-UHFFFAOYSA-N 1 2 300.378 0.199 10 0 DCAELO C[N@@H+](CC(N)=O)C[C@H]1CN(Cc2nc3ccccc3o2)CCO1 ZINC000370022983 416865914 /nfs/dbraw/zinc/86/59/14/416865914.db2.gz VACYGFPHWFUWIB-LBPRGKRZSA-N 1 2 318.377 0.446 10 0 DCAELO C[N@H+](CC(N)=O)C[C@H]1CN(Cc2nc3ccccc3o2)CCO1 ZINC000370022983 416865922 /nfs/dbraw/zinc/86/59/22/416865922.db2.gz VACYGFPHWFUWIB-LBPRGKRZSA-N 1 2 318.377 0.446 10 0 DCAELO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CCN1CCCS1(=O)=O ZINC000615628565 416875273 /nfs/dbraw/zinc/87/52/73/416875273.db2.gz BEJVRYLBDJFIDY-UPJWGTAASA-N 1 2 316.423 0.295 10 0 DCAELO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CCN1CCCS1(=O)=O ZINC000615628565 416875279 /nfs/dbraw/zinc/87/52/79/416875279.db2.gz BEJVRYLBDJFIDY-UPJWGTAASA-N 1 2 316.423 0.295 10 0 DCAELO O=C1CNC(=O)N1CC[N@@H+]1CCO[C@H](COc2ccccc2)C1 ZINC000519264394 416898656 /nfs/dbraw/zinc/89/86/56/416898656.db2.gz WSGLWRMQANACRX-AWEZNQCLSA-N 1 2 319.361 0.318 10 0 DCAELO O=C1CNC(=O)N1CC[N@H+]1CCO[C@H](COc2ccccc2)C1 ZINC000519264394 416898663 /nfs/dbraw/zinc/89/86/63/416898663.db2.gz WSGLWRMQANACRX-AWEZNQCLSA-N 1 2 319.361 0.318 10 0 DCAELO COc1nc(NC[C@@H]2COCC[N@@H+]2C)ncc1Br ZINC000624620163 417069359 /nfs/dbraw/zinc/06/93/59/417069359.db2.gz WRXQCTQWMCKDLK-MRVPVSSYSA-N 1 2 317.187 0.990 10 0 DCAELO COc1nc(NC[C@@H]2COCC[N@H+]2C)ncc1Br ZINC000624620163 417069369 /nfs/dbraw/zinc/06/93/69/417069369.db2.gz WRXQCTQWMCKDLK-MRVPVSSYSA-N 1 2 317.187 0.990 10 0 DCAELO CCOC(=O)c1ccccc1[C@@H]1C[NH2+]CCN1S(C)(=O)=O ZINC000616605100 417082917 /nfs/dbraw/zinc/08/29/17/417082917.db2.gz RZDBSURBXYMECP-ZDUSSCGKSA-N 1 2 312.391 0.769 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@H]3CCc4c[nH]nc4C3)C[C@@H]21 ZINC000408023847 417133302 /nfs/dbraw/zinc/13/33/02/417133302.db2.gz WGSWNSUVWKYEMM-AEGPPILISA-N 1 2 319.409 0.382 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@H]3CCc4c[nH]nc4C3)C[C@@H]21 ZINC000408023847 417133307 /nfs/dbraw/zinc/13/33/07/417133307.db2.gz WGSWNSUVWKYEMM-AEGPPILISA-N 1 2 319.409 0.382 10 0 DCAELO CCS(=O)(=O)NCCN1C[C@H](OC)C[C@H]1c1[nH]cc[nH+]1 ZINC000643859207 417403361 /nfs/dbraw/zinc/40/33/61/417403361.db2.gz ZJZRJEMDKAOFKH-MNOVXSKESA-N 1 2 302.400 0.111 10 0 DCAELO Cc1nn(C)c(C[NH+]2C[C@@H](CO)[C@H](CO)C2)c1Br ZINC000529641158 417482344 /nfs/dbraw/zinc/48/23/44/417482344.db2.gz NUKXMJXNNDLERB-UWVGGRQHSA-N 1 2 318.215 0.524 10 0 DCAELO CC[C@H](NC(=O)NCCc1cn2ccccc2[nH+]1)C(=O)NC ZINC000454239460 287492849 /nfs/dbraw/zinc/49/28/49/287492849.db2.gz JSLPRBWATHXCJO-LBPRGKRZSA-N 1 2 303.366 0.701 10 0 DCAELO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000488572019 287553908 /nfs/dbraw/zinc/55/39/08/287553908.db2.gz HYSAQJNRTSCNDZ-QWRGUYRKSA-N 1 2 322.365 0.390 10 0 DCAELO Cc1noc([C@H](C)N2CC[NH+](C[C@H](O)C(F)(F)F)CC2)n1 ZINC000181690059 261114959 /nfs/dbraw/zinc/11/49/59/261114959.db2.gz WUMCVOGTAFSHKM-WPRPVWTQSA-N 1 2 308.304 0.980 10 0 DCAELO C[N@H+](CCN1CCS(=O)(=O)CC1)Cc1ccc(F)cc1 ZINC000181683956 261115731 /nfs/dbraw/zinc/11/57/31/261115731.db2.gz ZYQFTXZIYNJHOI-UHFFFAOYSA-N 1 2 300.399 0.988 10 0 DCAELO C[N@@H+](CCN1CCS(=O)(=O)CC1)Cc1ccc(F)cc1 ZINC000181683956 261115733 /nfs/dbraw/zinc/11/57/33/261115733.db2.gz ZYQFTXZIYNJHOI-UHFFFAOYSA-N 1 2 300.399 0.988 10 0 DCAELO CO[C@@H]1CN(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC[C@@H]1C ZINC000187623622 261124203 /nfs/dbraw/zinc/12/42/03/261124203.db2.gz SHHLEVNJZAUXBD-SOUVJXGZSA-N 1 2 312.458 0.689 10 0 DCAELO C[C@@H](CC(=O)NC[C@@H]1C[N@H+](C)CCO1)NC(=O)c1ccccc1 ZINC000194616055 261146621 /nfs/dbraw/zinc/14/66/21/261146621.db2.gz XKVOLOCHUAKILZ-DZGCQCFKSA-N 1 2 319.405 0.642 10 0 DCAELO C[C@@H](CC(=O)NC[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1ccccc1 ZINC000194616055 261146623 /nfs/dbraw/zinc/14/66/23/261146623.db2.gz XKVOLOCHUAKILZ-DZGCQCFKSA-N 1 2 319.405 0.642 10 0 DCAELO CC(=O)c1cccc(OC[C@H](O)C[N@@H+]2CCO[C@@H]([C@H](C)O)C2)c1 ZINC000412070158 262180866 /nfs/dbraw/zinc/18/08/66/262180866.db2.gz JPJZBCRURZNABV-YSVLISHTSA-N 1 2 323.389 0.711 10 0 DCAELO CC(=O)c1cccc(OC[C@H](O)C[N@H+]2CCO[C@@H]([C@H](C)O)C2)c1 ZINC000412070158 262180867 /nfs/dbraw/zinc/18/08/67/262180867.db2.gz JPJZBCRURZNABV-YSVLISHTSA-N 1 2 323.389 0.711 10 0 DCAELO COC(=O)[C@H](C1CC1)[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000359610278 271132751 /nfs/dbraw/zinc/13/27/51/271132751.db2.gz MMKOWSLYAARYDB-PWSUYJOCSA-N 1 2 304.412 0.199 10 0 DCAELO COC(=O)[C@H](C1CC1)[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000359610278 271132753 /nfs/dbraw/zinc/13/27/53/271132753.db2.gz MMKOWSLYAARYDB-PWSUYJOCSA-N 1 2 304.412 0.199 10 0 DCAELO COC(=O)[C@](C)([NH2+]C[C@H](O)COC[C@H]1CCCO1)C1CC1 ZINC000536605958 287858880 /nfs/dbraw/zinc/85/88/80/287858880.db2.gz VDSOXJQLJXQAQN-GZBFAFLISA-N 1 2 301.383 0.474 10 0 DCAELO CC(C)c1nnnn1CC(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000174118880 278111151 /nfs/dbraw/zinc/11/11/51/278111151.db2.gz VFSJSXPQGKUZGL-UHFFFAOYSA-N 1 2 321.410 0.880 10 0 DCAELO CC(C)c1nnnn1CC(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000174118880 278111153 /nfs/dbraw/zinc/11/11/53/278111153.db2.gz VFSJSXPQGKUZGL-UHFFFAOYSA-N 1 2 321.410 0.880 10 0 DCAELO Cc1cnc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)s1 ZINC000123849384 279017303 /nfs/dbraw/zinc/01/73/03/279017303.db2.gz GGNQNLYQYPWKNW-NSHDSACASA-N 1 2 324.406 0.323 10 0 DCAELO Cc1csc(NC(=O)CN2CC[C@@H]([NH+]3CCOCC3)C2)n1 ZINC000173988514 279042659 /nfs/dbraw/zinc/04/26/59/279042659.db2.gz IOVPOESSEHHLJO-GFCCVEGCSA-N 1 2 310.423 0.797 10 0 DCAELO Cc1csc(NC(=O)C[N@@H+]2CC[C@@H](N3CCOCC3)C2)n1 ZINC000173988514 279042661 /nfs/dbraw/zinc/04/26/61/279042661.db2.gz IOVPOESSEHHLJO-GFCCVEGCSA-N 1 2 310.423 0.797 10 0 DCAELO Cc1csc(NC(=O)C[N@H+]2CC[C@@H](N3CCOCC3)C2)n1 ZINC000173988514 279042663 /nfs/dbraw/zinc/04/26/63/279042663.db2.gz IOVPOESSEHHLJO-GFCCVEGCSA-N 1 2 310.423 0.797 10 0 DCAELO Cc1[nH+]c2ccccc2n1CCNC(=O)CN1CCOCC1=O ZINC000548716899 288170235 /nfs/dbraw/zinc/17/02/35/288170235.db2.gz CTGXXKKTRCNMJD-UHFFFAOYSA-N 1 2 316.361 0.320 10 0 DCAELO Cc1c(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)nnn1C(C)C ZINC000329165067 280209675 /nfs/dbraw/zinc/20/96/75/280209675.db2.gz HIEPNSFRIUKZDW-STQMWFEESA-N 1 2 307.398 0.713 10 0 DCAELO Cc1c(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)nnn1C(C)C ZINC000329165067 280209677 /nfs/dbraw/zinc/20/96/77/280209677.db2.gz HIEPNSFRIUKZDW-STQMWFEESA-N 1 2 307.398 0.713 10 0 DCAELO COc1cnc(C(=O)N(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)nc1 ZINC000551900277 288242577 /nfs/dbraw/zinc/24/25/77/288242577.db2.gz GPPSKDWEVIYZCX-AWEZNQCLSA-N 1 2 320.393 0.668 10 0 DCAELO COc1cnc(C(=O)N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)nc1 ZINC000551900277 288242579 /nfs/dbraw/zinc/24/25/79/288242579.db2.gz GPPSKDWEVIYZCX-AWEZNQCLSA-N 1 2 320.393 0.668 10 0 DCAELO CC[C@H]1C[N@H+](C[C@@H](C)CS(C)(=O)=O)CCN1CCOC ZINC000118984144 288289779 /nfs/dbraw/zinc/28/97/79/288289779.db2.gz SSPMQEJOTKPBAB-KGLIPLIRSA-N 1 2 306.472 0.710 10 0 DCAELO CC[C@H]1C[N@@H+](C[C@@H](C)CS(C)(=O)=O)CCN1CCOC ZINC000118984144 288289781 /nfs/dbraw/zinc/28/97/81/288289781.db2.gz SSPMQEJOTKPBAB-KGLIPLIRSA-N 1 2 306.472 0.710 10 0 DCAELO CC[C@H]1CN(C[C@@H](C)CS(C)(=O)=O)CC[N@@H+]1CCOC ZINC000118984144 288289783 /nfs/dbraw/zinc/28/97/83/288289783.db2.gz SSPMQEJOTKPBAB-KGLIPLIRSA-N 1 2 306.472 0.710 10 0 DCAELO CC[C@H]1CN(C[C@@H](C)CS(C)(=O)=O)CC[N@H+]1CCOC ZINC000118984144 288289784 /nfs/dbraw/zinc/28/97/84/288289784.db2.gz SSPMQEJOTKPBAB-KGLIPLIRSA-N 1 2 306.472 0.710 10 0 DCAELO CCC(=O)N1CCCC[C@H]1C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172750394 281888002 /nfs/dbraw/zinc/88/80/02/281888002.db2.gz QTTGTOYOVXARSH-GJZGRUSLSA-N 1 2 323.437 0.711 10 0 DCAELO CC[C@H]1CN(C(=O)c2ncc(OC)cn2)C[C@H]1[NH+]1CCOCC1 ZINC000556393092 288375988 /nfs/dbraw/zinc/37/59/88/288375988.db2.gz CDGUFNVBGPDBEW-GXTWGEPZSA-N 1 2 320.393 0.668 10 0 DCAELO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1CCn2ccnc2C1 ZINC000329503530 289047047 /nfs/dbraw/zinc/04/70/47/289047047.db2.gz AQYSDPQKAUPZGR-RBSFLKMASA-N 1 2 318.421 0.767 10 0 DCAELO Cc1nnc([C@@H]2CN(C(=O)[C@H]3CCCn4cc[nH+]c43)CCO2)[nH]1 ZINC000176473306 293125068 /nfs/dbraw/zinc/12/50/68/293125068.db2.gz HTGJDPPXBKIUFX-RYUDHWBXSA-N 1 2 316.365 0.787 10 0 DCAELO Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2nccn2C)o1 ZINC000261972611 301673546 /nfs/dbraw/zinc/67/35/46/301673546.db2.gz IJOSURVYTKFKGW-LLVKDONJSA-N 1 2 310.379 0.657 10 0 DCAELO Cn1cc([C@H]2C[NH2+]CCN2S(=O)(=O)c2ccccc2)cn1 ZINC000181702372 302937014 /nfs/dbraw/zinc/93/70/14/302937014.db2.gz QVWUUJNYFDXAPD-CQSZACIVSA-N 1 2 306.391 0.755 10 0 DCAELO Cn1cc[nH+]c1CNC(=O)Cc1ccccc1S(C)(=O)=O ZINC000041511282 302989056 /nfs/dbraw/zinc/98/90/56/302989056.db2.gz UDLCURWIYRNEDW-UHFFFAOYSA-N 1 2 307.375 0.683 10 0 DCAELO Cn1cc[nH+]c1[C@H]1CN(C(=O)NC2CCOCC2)CCN1C ZINC000408301136 303006676 /nfs/dbraw/zinc/00/66/76/303006676.db2.gz OOJWICUDZBINDN-CYBMUJFWSA-N 1 2 307.398 0.597 10 0 DCAELO NC(=O)[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000246795152 303323487 /nfs/dbraw/zinc/32/34/87/303323487.db2.gz ATZVUVQQECVYIT-CABCVRRESA-N 1 2 307.369 0.759 10 0 DCAELO NC(=O)[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000246795152 303323488 /nfs/dbraw/zinc/32/34/88/303323488.db2.gz ATZVUVQQECVYIT-CABCVRRESA-N 1 2 307.369 0.759 10 0 DCAELO NC(=O)[C@H](c1ccc(F)cc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000246795152 303323489 /nfs/dbraw/zinc/32/34/89/303323489.db2.gz ATZVUVQQECVYIT-CABCVRRESA-N 1 2 307.369 0.759 10 0 DCAELO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)CC2CCOCC2)C[C@@H]1C ZINC000173573964 533705317 /nfs/dbraw/zinc/70/53/17/533705317.db2.gz AQUXLGOIYLKZLK-QWHCGFSZSA-N 1 2 320.455 0.130 10 0 DCAELO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)CC2CCOCC2)C[C@@H]1C ZINC000173573964 533705326 /nfs/dbraw/zinc/70/53/26/533705326.db2.gz AQUXLGOIYLKZLK-QWHCGFSZSA-N 1 2 320.455 0.130 10 0 DCAELO CO[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000570220252 332726469 /nfs/dbraw/zinc/72/64/69/332726469.db2.gz LKBJONJXUGGBAD-PWSUYJOCSA-N 1 2 302.334 0.957 10 0 DCAELO CN(C)c1nc(C[NH2+][C@@H](CC(N)=O)C2CCOCC2)ns1 ZINC000181932022 333173770 /nfs/dbraw/zinc/17/37/70/333173770.db2.gz USXRAKUZVWWTAS-JTQLQIEISA-N 1 2 313.427 0.364 10 0 DCAELO C[C@@H]1CN(C(=O)c2nc3ccccc3c(=O)[nH]2)CC[N@@H+]1CCO ZINC000187128009 534435139 /nfs/dbraw/zinc/43/51/39/534435139.db2.gz ZNHHXDROALOQSU-LLVKDONJSA-N 1 2 316.361 0.062 10 0 DCAELO C[C@@H]1CN(C(=O)c2nc3ccccc3c(=O)[nH]2)CC[N@H+]1CCO ZINC000187128009 534435145 /nfs/dbraw/zinc/43/51/45/534435145.db2.gz ZNHHXDROALOQSU-LLVKDONJSA-N 1 2 316.361 0.062 10 0 DCAELO CC(C)[C@@H](O)CC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000157167957 519800262 /nfs/dbraw/zinc/80/02/62/519800262.db2.gz GFHORJFSMQCJGT-ZFWWWQNUSA-N 1 2 316.467 0.718 10 0 DCAELO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)Cc2cncnc2)C1 ZINC000130177231 521101627 /nfs/dbraw/zinc/10/16/27/521101627.db2.gz OLZWBOUIHOVYSY-CQSZACIVSA-N 1 2 320.393 0.710 10 0 DCAELO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2cncnc2)C1 ZINC000130177231 521101635 /nfs/dbraw/zinc/10/16/35/521101635.db2.gz OLZWBOUIHOVYSY-CQSZACIVSA-N 1 2 320.393 0.710 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)NCCCCO)nc[nH+]1 ZINC000194469143 522568577 /nfs/dbraw/zinc/56/85/77/522568577.db2.gz DHSBMIGVQPWRPO-GFCCVEGCSA-N 1 2 322.413 0.559 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)NCCCCO)[nH+]cn1 ZINC000194469143 522568590 /nfs/dbraw/zinc/56/85/90/522568590.db2.gz DHSBMIGVQPWRPO-GFCCVEGCSA-N 1 2 322.413 0.559 10 0 DCAELO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@]2(CO)Cc2ccccc2)C1 ZINC000365108251 523934843 /nfs/dbraw/zinc/93/48/43/523934843.db2.gz CDXHXBXUKCBWFO-SJLPKXTDSA-N 1 2 318.417 0.913 10 0 DCAELO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@]2(CO)Cc2ccccc2)C1 ZINC000365108251 523934847 /nfs/dbraw/zinc/93/48/47/523934847.db2.gz CDXHXBXUKCBWFO-SJLPKXTDSA-N 1 2 318.417 0.913 10 0 DCAELO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000247400155 524353610 /nfs/dbraw/zinc/35/36/10/524353610.db2.gz RGYLSNRJZQPDBS-JHJVBQTASA-N 1 2 312.414 0.050 10 0 DCAELO C[C@@H]1CN(C(=O)COC[C@H]2CCOC2)C[C@H]1[NH+]1CCOCC1 ZINC000246916503 524786303 /nfs/dbraw/zinc/78/63/03/524786303.db2.gz IPFBGEVGOFPSER-QLFBSQMISA-N 1 2 312.410 0.219 10 0 DCAELO Cc1cc(F)ccc1S(=O)(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000249488163 524999200 /nfs/dbraw/zinc/99/92/00/524999200.db2.gz XNQBTCJQWQWWLV-LBPRGKRZSA-N 1 2 316.398 0.821 10 0 DCAELO Cc1cc(F)ccc1S(=O)(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000249488163 524999210 /nfs/dbraw/zinc/99/92/10/524999210.db2.gz XNQBTCJQWQWWLV-LBPRGKRZSA-N 1 2 316.398 0.821 10 0 DCAELO C[C@H](C(=O)NCC1CCCCC1)[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000246304482 526041695 /nfs/dbraw/zinc/04/16/95/526041695.db2.gz CFGAZLAWSKUKJY-BZPMIXESSA-N 1 2 311.426 0.646 10 0 DCAELO C[C@H](C(=O)NCC1CCCCC1)[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000246304482 526041704 /nfs/dbraw/zinc/04/17/04/526041704.db2.gz CFGAZLAWSKUKJY-BZPMIXESSA-N 1 2 311.426 0.646 10 0 DCAELO COC(=O)c1cc(C)cc(C(=O)N2CC[NH+](CCO)CC2)c1 ZINC000457433965 536879906 /nfs/dbraw/zinc/87/99/06/536879906.db2.gz FBZBUIGNCNHPLU-UHFFFAOYSA-N 1 2 306.362 0.532 10 0 DCAELO CCOCCC1(C(=O)NC[C@H](O)C[NH+]2CCOCC2)CCC1 ZINC000133018973 545797697 /nfs/dbraw/zinc/79/76/97/545797697.db2.gz JWSCYXTTXFVYSD-AWEZNQCLSA-N 1 2 314.426 0.393 10 0 DCAELO CCCCN(CCCO)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000183362783 545907487 /nfs/dbraw/zinc/90/74/87/545907487.db2.gz QQLGFBPHGZWPTG-CQSZACIVSA-N 1 2 301.431 0.901 10 0 DCAELO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cn3ccnc3s2)C[C@@H]1C ZINC000188569675 545918056 /nfs/dbraw/zinc/91/80/56/545918056.db2.gz RJEYQXMMPCVBIC-WDEREUQCSA-N 1 2 308.407 0.923 10 0 DCAELO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cn3ccnc3s2)C[C@@H]1C ZINC000188569675 545918059 /nfs/dbraw/zinc/91/80/59/545918059.db2.gz RJEYQXMMPCVBIC-WDEREUQCSA-N 1 2 308.407 0.923 10 0 DCAELO CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000252979574 545975450 /nfs/dbraw/zinc/97/54/50/545975450.db2.gz ILRFXXHONHHAFD-MNOVXSKESA-N 1 2 314.411 0.791 10 0 DCAELO Cc1nc(NC[C@H](C)S(N)(=O)=O)c(Br)c(C)[nH+]1 ZINC000398217194 546223777 /nfs/dbraw/zinc/22/37/77/546223777.db2.gz AWXDFONVTQLKAA-YFKPBYRVSA-N 1 2 323.216 0.367 10 0 DCAELO CC[C@@H]1CN(CCS(=O)(=O)C(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000178222711 657577035 /nfs/dbraw/zinc/57/70/35/657577035.db2.gz JCGQJDWJUGXEFL-ZIAGYGMSSA-N 1 2 306.472 0.587 10 0 DCAELO CC[C@@H]1CN(CCS(=O)(=O)C(C)C)CC[N@H+]1C[C@@H](C)O ZINC000178222711 657577040 /nfs/dbraw/zinc/57/70/40/657577040.db2.gz JCGQJDWJUGXEFL-ZIAGYGMSSA-N 1 2 306.472 0.587 10 0 DCAELO Cc1nc(C(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)no1 ZINC000179623382 658657696 /nfs/dbraw/zinc/65/76/96/658657696.db2.gz WAQJJJVRJNUYRE-CQSZACIVSA-N 1 2 316.361 0.869 10 0 DCAELO CCS(=O)(=O)CCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177491492 658764039 /nfs/dbraw/zinc/76/40/39/658764039.db2.gz UCEYMMRKJFTMGC-GFCCVEGCSA-N 1 2 314.411 0.492 10 0 DCAELO CCN1C(=O)CN(C[NH+]2CCC(Nc3cccnn3)CC2)C1=O ZINC000156473477 664370432 /nfs/dbraw/zinc/37/04/32/664370432.db2.gz NZDNTZGAQNQVTO-UHFFFAOYSA-N 1 2 318.381 0.595 10 0 DCAELO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2cn(C)nc2Br)C1 ZINC000714076560 670175344 /nfs/dbraw/zinc/17/53/44/670175344.db2.gz NBNPGVWNOVQJRA-VHSXEESVSA-N 1 2 304.188 0.764 10 0 DCAELO CO[C@@H]1C[C@@H](CO)[N@@H+](Cc2cn(C)nc2Br)C1 ZINC000714076560 670175346 /nfs/dbraw/zinc/17/53/46/670175346.db2.gz NBNPGVWNOVQJRA-VHSXEESVSA-N 1 2 304.188 0.764 10 0 DCAELO CC(=O)N[C@H](C)C(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105816854 672235670 /nfs/dbraw/zinc/23/56/70/672235670.db2.gz NNYHYDMMJKMYJI-CJNGLKHVSA-N 1 2 319.405 0.389 10 0 DCAELO O=S(=O)(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)c1ncc[nH]1 ZINC000720477397 685313933 /nfs/dbraw/zinc/31/39/33/685313933.db2.gz TYYVGHJOGBGODK-NXEZZACHSA-N 1 2 302.425 0.268 10 0 DCAELO O=S(=O)(N[C@@H]1CCC[N@H+]2CCSC[C@H]12)c1ncc[nH]1 ZINC000720477397 685313940 /nfs/dbraw/zinc/31/39/40/685313940.db2.gz TYYVGHJOGBGODK-NXEZZACHSA-N 1 2 302.425 0.268 10 0 DCAELO CS(=O)(=O)N[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(F)c(F)c2)C1 ZINC000247159844 685170426 /nfs/dbraw/zinc/17/04/26/685170426.db2.gz QNBSDCMRYVAVCC-ZWNOBZJWSA-N 1 2 320.361 0.622 10 0 DCAELO CS(=O)(=O)N[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(F)c(F)c2)C1 ZINC000247159844 685170434 /nfs/dbraw/zinc/17/04/34/685170434.db2.gz QNBSDCMRYVAVCC-ZWNOBZJWSA-N 1 2 320.361 0.622 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3nnc4ccccc4n3)C[C@H]21 ZINC000286553027 219049785 /nfs/dbraw/zinc/04/97/85/219049785.db2.gz XJSYGFHYTDBLOO-ZIAGYGMSSA-N 1 2 313.361 0.570 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3nnc4ccccc4n3)C[C@H]21 ZINC000286553027 219049788 /nfs/dbraw/zinc/04/97/88/219049788.db2.gz XJSYGFHYTDBLOO-ZIAGYGMSSA-N 1 2 313.361 0.570 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3nnc4ccccc4n3)C[C@@H]21 ZINC000286553017 219050169 /nfs/dbraw/zinc/05/01/69/219050169.db2.gz XJSYGFHYTDBLOO-UONOGXRCSA-N 1 2 313.361 0.570 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3nnc4ccccc4n3)C[C@@H]21 ZINC000286553017 219050170 /nfs/dbraw/zinc/05/01/70/219050170.db2.gz XJSYGFHYTDBLOO-UONOGXRCSA-N 1 2 313.361 0.570 10 0 DCAELO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)C[C@@H]2CCCCO2)CC1 ZINC000182407617 529701209 /nfs/dbraw/zinc/70/12/09/529701209.db2.gz DUULNWOFCZMFBH-KBPBESRZSA-N 1 2 320.455 0.274 10 0 DCAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)Nc1ccnc(Cl)c1 ZINC000181882454 186214975 /nfs/dbraw/zinc/21/49/75/186214975.db2.gz MLQWSDBHSGSUKK-NSHDSACASA-N 1 2 314.773 0.550 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)C1 ZINC000264251071 186327343 /nfs/dbraw/zinc/32/73/43/186327343.db2.gz BMIQIYHJOYKMIO-OLZOCXBDSA-N 1 2 307.398 0.629 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)C1 ZINC000264251071 186327345 /nfs/dbraw/zinc/32/73/45/186327345.db2.gz BMIQIYHJOYKMIO-OLZOCXBDSA-N 1 2 307.398 0.629 10 0 DCAELO C[C@H]1c2cccn2CC[N@H+]1CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000072822018 191233484 /nfs/dbraw/zinc/23/34/84/191233484.db2.gz TUDNRFDHGVEKST-STQMWFEESA-N 1 2 304.394 0.589 10 0 DCAELO C[C@H]1c2cccn2CC[N@@H+]1CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000072822018 191233488 /nfs/dbraw/zinc/23/34/88/191233488.db2.gz TUDNRFDHGVEKST-STQMWFEESA-N 1 2 304.394 0.589 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2c[nH]nc2C)nc[nH+]1 ZINC000173446177 198216015 /nfs/dbraw/zinc/21/60/15/198216015.db2.gz HCFZDLMMACNSQD-LLVKDONJSA-N 1 2 315.381 0.949 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2c[nH]nc2C)[nH+]cn1 ZINC000173446177 198216017 /nfs/dbraw/zinc/21/60/17/198216017.db2.gz HCFZDLMMACNSQD-LLVKDONJSA-N 1 2 315.381 0.949 10 0 DCAELO O=C(c1cnc(-c2ccncc2)s1)N1CC[NH+](CCO)CC1 ZINC000173390164 198209404 /nfs/dbraw/zinc/20/94/04/198209404.db2.gz SVJRJQZJJKFHLJ-UHFFFAOYSA-N 1 2 318.402 0.955 10 0 DCAELO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)c2ccccc2OC)CC1 ZINC000184060776 199667979 /nfs/dbraw/zinc/66/79/79/199667979.db2.gz AXJJVIIBMJQFLO-CYBMUJFWSA-N 1 2 320.389 0.793 10 0 DCAELO COCCCOCCN(C)c1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000179786370 199080761 /nfs/dbraw/zinc/08/07/61/199080761.db2.gz NITCQMNWFYLSIN-CQSZACIVSA-N 1 2 324.425 0.927 10 0 DCAELO COCCCOCCN(C)c1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000179786370 199080763 /nfs/dbraw/zinc/08/07/63/199080763.db2.gz NITCQMNWFYLSIN-CQSZACIVSA-N 1 2 324.425 0.927 10 0 DCAELO CCc1[nH+]c2ccccc2n1CC(=O)N1CCOC[C@H]1C(N)=O ZINC000180212505 199131609 /nfs/dbraw/zinc/13/16/09/199131609.db2.gz REYNZIYPMMHDCN-ZDUSSCGKSA-N 1 2 316.361 0.311 10 0 DCAELO O=C(Nc1nc2ccccn2n1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000184341164 295975204 /nfs/dbraw/zinc/97/52/04/295975204.db2.gz KXEIIEUZCPAABG-LBPRGKRZSA-N 1 2 316.365 0.668 10 0 DCAELO COc1ccc2c(c1)N(C[C@H](O)C[NH+]1CCOCC1)C[C@@H](C)O2 ZINC000173940962 237164562 /nfs/dbraw/zinc/16/45/62/237164562.db2.gz PSOPQKILPBQFGS-ZIAGYGMSSA-N 1 2 322.405 0.976 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)Cc2cccc(F)c2)CC[N@@H+]1CCO ZINC000188722468 200294731 /nfs/dbraw/zinc/29/47/31/200294731.db2.gz YCRVAYIGRBKECL-GFCCVEGCSA-N 1 2 316.398 0.654 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)Cc2cccc(F)c2)CC[N@H+]1CCO ZINC000188722468 200294733 /nfs/dbraw/zinc/29/47/33/200294733.db2.gz YCRVAYIGRBKECL-GFCCVEGCSA-N 1 2 316.398 0.654 10 0 DCAELO CC[C@@H]1C[N@H+](CCNS(=O)(=O)CC)CCN1CC(F)F ZINC000153687412 291208284 /nfs/dbraw/zinc/20/82/84/291208284.db2.gz AFFOSWPNFCLMPQ-LLVKDONJSA-N 1 2 313.414 0.587 10 0 DCAELO CC[C@@H]1C[N@@H+](CCNS(=O)(=O)CC)CCN1CC(F)F ZINC000153687412 291208286 /nfs/dbraw/zinc/20/82/86/291208286.db2.gz AFFOSWPNFCLMPQ-LLVKDONJSA-N 1 2 313.414 0.587 10 0 DCAELO COCCc1cc(NC(=O)[C@H](C)[NH+]2CCSCC2)n(C)n1 ZINC000153971966 291209743 /nfs/dbraw/zinc/20/97/43/291209743.db2.gz NTGJGQMTYBYVKV-NSHDSACASA-N 1 2 312.439 0.985 10 0 DCAELO CN(C)C(=O)c1cccc(OC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000154338690 291213082 /nfs/dbraw/zinc/21/30/82/291213082.db2.gz PXARYRUSYABQCK-AWEZNQCLSA-N 1 2 308.378 0.460 10 0 DCAELO Cc1cc(C(=O)N(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)n(C)n1 ZINC000276252290 238317222 /nfs/dbraw/zinc/31/72/22/238317222.db2.gz FVQXTYQMNSUHHV-AWEZNQCLSA-N 1 2 306.410 0.911 10 0 DCAELO Cc1cc(C(=O)N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)n(C)n1 ZINC000276252290 238317231 /nfs/dbraw/zinc/31/72/31/238317231.db2.gz FVQXTYQMNSUHHV-AWEZNQCLSA-N 1 2 306.410 0.911 10 0 DCAELO Cc1ccc(C(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)s1 ZINC000276549336 238325747 /nfs/dbraw/zinc/32/57/47/238325747.db2.gz RYWRQSFEWUYNGP-NSHDSACASA-N 1 2 311.407 0.315 10 0 DCAELO Cc1ccc(C(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)s1 ZINC000276549336 238325752 /nfs/dbraw/zinc/32/57/52/238325752.db2.gz RYWRQSFEWUYNGP-NSHDSACASA-N 1 2 311.407 0.315 10 0 DCAELO O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CC(n2ccnn2)C1 ZINC000373593661 296138989 /nfs/dbraw/zinc/13/89/89/296138989.db2.gz MSEZTZKCWNMXON-CQSZACIVSA-N 1 2 305.382 0.305 10 0 DCAELO O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CC(n2ccnn2)C1 ZINC000373593661 296138992 /nfs/dbraw/zinc/13/89/92/296138992.db2.gz MSEZTZKCWNMXON-CQSZACIVSA-N 1 2 305.382 0.305 10 0 DCAELO COC(=O)[C@H]1CCCN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)C1 ZINC000266275225 284332602 /nfs/dbraw/zinc/33/26/02/284332602.db2.gz SACSWKPVQPYTPH-QWHCGFSZSA-N 1 2 320.393 0.827 10 0 DCAELO COC(=O)[C@H]1CCCN(c2cc(N3CCC[C@@H]3CO)nc[nH+]2)C1 ZINC000266275225 284332603 /nfs/dbraw/zinc/33/26/03/284332603.db2.gz SACSWKPVQPYTPH-QWHCGFSZSA-N 1 2 320.393 0.827 10 0 DCAELO COc1cc(Cc2c(N)nc(N)[nH+]c2N)cc(OC)c1OC ZINC000027624743 182483262 /nfs/dbraw/zinc/48/32/62/182483262.db2.gz WNEVLCULMWGEHD-UHFFFAOYSA-N 1 2 305.338 0.840 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)NCCOc2cccc(F)c2)C1 ZINC000104782818 194040252 /nfs/dbraw/zinc/04/02/52/194040252.db2.gz BYGILRPANJSPLP-AWEZNQCLSA-N 1 2 311.357 0.834 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)NCCOc2cccc(F)c2)C1 ZINC000104782818 194040254 /nfs/dbraw/zinc/04/02/54/194040254.db2.gz BYGILRPANJSPLP-AWEZNQCLSA-N 1 2 311.357 0.834 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)NCCCNc2ccccn2)C1 ZINC000104797594 194042371 /nfs/dbraw/zinc/04/23/71/194042371.db2.gz SWWXWTJPRHZZQF-ZDUSSCGKSA-N 1 2 307.398 0.513 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)NCCCNc2ccccn2)C1 ZINC000104797594 194042373 /nfs/dbraw/zinc/04/23/73/194042373.db2.gz SWWXWTJPRHZZQF-ZDUSSCGKSA-N 1 2 307.398 0.513 10 0 DCAELO C[C@H](CNC(=O)Nc1ccc(C(N)=O)c(F)c1)[NH+]1CCOCC1 ZINC000105342064 194097559 /nfs/dbraw/zinc/09/75/59/194097559.db2.gz UEAKJYPYOOXPPT-SNVBAGLBSA-N 1 2 324.356 0.767 10 0 DCAELO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000106381511 194204627 /nfs/dbraw/zinc/20/46/27/194204627.db2.gz PEAVFETWPKDHQK-LBPRGKRZSA-N 1 2 316.398 0.903 10 0 DCAELO Cn1cc(C(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cn1 ZINC000110958225 194374174 /nfs/dbraw/zinc/37/41/74/194374174.db2.gz HQGQLULXTAIJHN-AWEZNQCLSA-N 1 2 320.393 0.316 10 0 DCAELO O=C1NC[C@H]2C[N@H+]([C@@H]3CCc4c3cccc4Cl)CCN2C1=O ZINC000246569427 296384724 /nfs/dbraw/zinc/38/47/24/296384724.db2.gz FLIUYSSFWSYXAS-IINYFYTJSA-N 1 2 319.792 0.970 10 0 DCAELO O=C1NC[C@H]2C[N@@H+]([C@@H]3CCc4c3cccc4Cl)CCN2C1=O ZINC000246569427 296384726 /nfs/dbraw/zinc/38/47/26/296384726.db2.gz FLIUYSSFWSYXAS-IINYFYTJSA-N 1 2 319.792 0.970 10 0 DCAELO CN(C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)[C@H]1CCCO1 ZINC000351803639 254370721 /nfs/dbraw/zinc/37/07/21/254370721.db2.gz FTNAXWYTOHLKKM-QLFBSQMISA-N 1 2 324.400 0.970 10 0 DCAELO CN(C[C@@H]1C[C@@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)[C@H]1CCCO1 ZINC000351803639 254370722 /nfs/dbraw/zinc/37/07/22/254370722.db2.gz FTNAXWYTOHLKKM-QLFBSQMISA-N 1 2 324.400 0.970 10 0 DCAELO O=c1[nH]c(CC[N@@H+]2CCO[C@@]3(CCOC3)C2)nc2ccccc21 ZINC000185151834 285195843 /nfs/dbraw/zinc/19/58/43/285195843.db2.gz GRHRIXINLVJJQI-KRWDZBQOSA-N 1 2 315.373 0.957 10 0 DCAELO O=c1[nH]c(CC[N@H+]2CCO[C@@]3(CCOC3)C2)nc2ccccc21 ZINC000185151834 285195845 /nfs/dbraw/zinc/19/58/45/285195845.db2.gz GRHRIXINLVJJQI-KRWDZBQOSA-N 1 2 315.373 0.957 10 0 DCAELO CS(=O)(=O)NCC[C@H]1CCOC12C[NH+](Cc1ccco1)C2 ZINC000247506192 257119639 /nfs/dbraw/zinc/11/96/39/257119639.db2.gz GZDIFBSAGQOHFT-LBPRGKRZSA-N 1 2 314.407 0.810 10 0 DCAELO O[C@]1(C(F)(F)F)CCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000277845270 285375418 /nfs/dbraw/zinc/37/54/18/285375418.db2.gz QLXLHPMVLGCFCS-GFCCVEGCSA-N 1 2 318.299 0.817 10 0 DCAELO O[C@]1(C(F)(F)F)CCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000277845270 285375419 /nfs/dbraw/zinc/37/54/19/285375419.db2.gz QLXLHPMVLGCFCS-GFCCVEGCSA-N 1 2 318.299 0.817 10 0 DCAELO COc1ncccc1CNC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000284005520 131040021 /nfs/dbraw/zinc/04/00/21/131040021.db2.gz MSRADTGWEOLJMG-ZIAGYGMSSA-N 1 2 320.393 0.705 10 0 DCAELO COc1ncccc1CNC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000284005520 131040023 /nfs/dbraw/zinc/04/00/23/131040023.db2.gz MSRADTGWEOLJMG-ZIAGYGMSSA-N 1 2 320.393 0.705 10 0 DCAELO C[C@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)CCS1(=O)=O ZINC000121733186 132158846 /nfs/dbraw/zinc/15/88/46/132158846.db2.gz BVDSZLPMYXYIJF-ZDUSSCGKSA-N 1 2 310.419 0.764 10 0 DCAELO C[C@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)CCS1(=O)=O ZINC000121733186 132158847 /nfs/dbraw/zinc/15/88/47/132158847.db2.gz BVDSZLPMYXYIJF-ZDUSSCGKSA-N 1 2 310.419 0.764 10 0 DCAELO CCn1cc[nH+]c1CS(=O)(=O)[C@H](C)C(=O)NCC(C)C ZINC000195519673 395831444 /nfs/dbraw/zinc/83/14/44/395831444.db2.gz GHCPZGRUFCFSIF-LLVKDONJSA-N 1 2 301.412 0.979 10 0 DCAELO COC[C@@H](C)NC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114482883 395835056 /nfs/dbraw/zinc/83/50/56/395835056.db2.gz UZYWYCMBGJCNKF-DGCLKSJQSA-N 1 2 323.397 0.797 10 0 DCAELO COC[C@@H](C)NC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114482883 395835059 /nfs/dbraw/zinc/83/50/59/395835059.db2.gz UZYWYCMBGJCNKF-DGCLKSJQSA-N 1 2 323.397 0.797 10 0 DCAELO CCn1cc(NC(=O)NC[C@H](C)[NH+]2CCOCC2)ccc1=O ZINC000050038267 395836053 /nfs/dbraw/zinc/83/60/53/395836053.db2.gz HQKLZTUWECYTSA-LBPRGKRZSA-N 1 2 308.382 0.710 10 0 DCAELO C[C@@H](CNC(=O)N1CC[C@@H](c2cnn(C)c2)C1)[NH+]1CCOCC1 ZINC000116418328 395843706 /nfs/dbraw/zinc/84/37/06/395843706.db2.gz JPFPHKMQJVPMLW-UONOGXRCSA-N 1 2 321.425 0.640 10 0 DCAELO CC[C@@H]1CN(C(=O)[C@H](C)CS(C)(=O)=O)CC[N@@H+]1CCOC ZINC000245427798 395929250 /nfs/dbraw/zinc/92/92/50/395929250.db2.gz IATPAOCHWMNVRL-CHWSQXEVSA-N 1 2 320.455 0.236 10 0 DCAELO CC[C@@H]1CN(C(=O)[C@H](C)CS(C)(=O)=O)CC[N@H+]1CCOC ZINC000245427798 395929254 /nfs/dbraw/zinc/92/92/54/395929254.db2.gz IATPAOCHWMNVRL-CHWSQXEVSA-N 1 2 320.455 0.236 10 0 DCAELO CC(C)(C)NC(=O)CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000054040783 395892507 /nfs/dbraw/zinc/89/25/07/395892507.db2.gz HUQKCUOKQOOUEU-UHFFFAOYSA-N 1 2 314.430 0.311 10 0 DCAELO C[NH+](C)C[C@@H]1CN(CC(=O)NOCc2ccccc2)CCO1 ZINC000119410542 395870634 /nfs/dbraw/zinc/87/06/34/395870634.db2.gz IPKQBRODHBHSJH-OAHLLOKOSA-N 1 2 307.394 0.497 10 0 DCAELO CC[C@H](CO)[NH+]1CCN(CC(=O)NOCc2ccccc2)CC1 ZINC000119445326 395870647 /nfs/dbraw/zinc/87/06/47/395870647.db2.gz STLDOWVBFDQPJH-MRXNPFEDSA-N 1 2 321.421 0.623 10 0 DCAELO COCC[N@@H+]1CCN(CC(=O)NOCc2ccccc2)C[C@@H]1C ZINC000119399848 395870955 /nfs/dbraw/zinc/87/09/55/395870955.db2.gz FHTMUTJDMUMENS-HNNXBMFYSA-N 1 2 321.421 0.887 10 0 DCAELO COCC[N@H+]1CCN(CC(=O)NOCc2ccccc2)C[C@@H]1C ZINC000119399848 395870958 /nfs/dbraw/zinc/87/09/58/395870958.db2.gz FHTMUTJDMUMENS-HNNXBMFYSA-N 1 2 321.421 0.887 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2cccc(-c3nc[nH]n3)c2)C1 ZINC000119855179 395877507 /nfs/dbraw/zinc/87/75/07/395877507.db2.gz XNRJDSKSACMNSP-ZDUSSCGKSA-N 1 2 301.350 0.532 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)c2cccc(-c3nc[nH]n3)c2)C1 ZINC000119855179 395877510 /nfs/dbraw/zinc/87/75/10/395877510.db2.gz XNRJDSKSACMNSP-ZDUSSCGKSA-N 1 2 301.350 0.532 10 0 DCAELO Cc1nnc([C@@H]2C[N@H+](C[C@H]3CC4(CCC4)C(=O)O3)CCO2)[nH]1 ZINC000248833238 395998491 /nfs/dbraw/zinc/99/84/91/395998491.db2.gz IXRJUZBCGAJFOO-NEPJUHHUSA-N 1 2 306.366 0.972 10 0 DCAELO Cc1nnc([C@@H]2C[N@@H+](C[C@H]3CC4(CCC4)C(=O)O3)CCO2)[nH]1 ZINC000248833238 395998493 /nfs/dbraw/zinc/99/84/93/395998493.db2.gz IXRJUZBCGAJFOO-NEPJUHHUSA-N 1 2 306.366 0.972 10 0 DCAELO C[C@H](CNC(=O)N[C@H]1Cc2ccccc2[C@H]1O)[NH+]1CCOCC1 ZINC000247258500 395970882 /nfs/dbraw/zinc/97/08/82/395970882.db2.gz WSWKQEJTBZVLBY-UHOFOFEASA-N 1 2 319.405 0.665 10 0 DCAELO Cc1cc(NC(=O)NC[C@H]2C[N@H+](C)CCO2)ccc1C(N)=O ZINC000150934884 395975750 /nfs/dbraw/zinc/97/57/50/395975750.db2.gz MOWNHVLYHXXTCH-LBPRGKRZSA-N 1 2 306.366 0.546 10 0 DCAELO Cc1cc(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)ccc1C(N)=O ZINC000150934884 395975752 /nfs/dbraw/zinc/97/57/52/395975752.db2.gz MOWNHVLYHXXTCH-LBPRGKRZSA-N 1 2 306.366 0.546 10 0 DCAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)Nc1cc(F)cc(F)c1 ZINC000151083972 395978854 /nfs/dbraw/zinc/97/88/54/395978854.db2.gz CAESTZHVIVNKHR-ZDUSSCGKSA-N 1 2 315.320 0.779 10 0 DCAELO C[C@@H]1OCC[C@@H]1NC(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC000275523445 395984751 /nfs/dbraw/zinc/98/47/51/395984751.db2.gz CIKGBYSBEQSYRR-MJBXVCDLSA-N 1 2 319.409 0.870 10 0 DCAELO C[C@@H]1OCC[C@@H]1NC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000275523445 395984754 /nfs/dbraw/zinc/98/47/54/395984754.db2.gz CIKGBYSBEQSYRR-MJBXVCDLSA-N 1 2 319.409 0.870 10 0 DCAELO O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCN(Cc2cscn2)CC1 ZINC000261856827 396072582 /nfs/dbraw/zinc/07/25/82/396072582.db2.gz ADSZUEPZSSKGCA-NSHDSACASA-N 1 2 316.377 0.785 10 0 DCAELO CCn1cc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)cn1 ZINC000261773488 396064385 /nfs/dbraw/zinc/06/43/85/396064385.db2.gz SMDORMUFPHWEPD-CQSZACIVSA-N 1 2 321.406 0.633 10 0 DCAELO Cc1cc(S(=O)(=O)NC[C@@H]2C[N@H+](C)CCO2)c(F)cc1F ZINC000175791143 396142479 /nfs/dbraw/zinc/14/24/79/396142479.db2.gz HUNGHLHXAFWCBN-SNVBAGLBSA-N 1 2 320.361 0.882 10 0 DCAELO C[C@H](CNC(=O)NC[C@H](CO)c1ccccc1)[NH+]1CCOCC1 ZINC000175772477 396142693 /nfs/dbraw/zinc/14/26/93/396142693.db2.gz ABFXOQAUWDASAM-GDBMZVCRSA-N 1 2 321.421 0.782 10 0 DCAELO Cn1c(CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)nc2ccccc21 ZINC000171594637 396119314 /nfs/dbraw/zinc/11/93/14/396119314.db2.gz FFSONRKYTXJIAC-GFCCVEGCSA-N 1 2 317.393 0.703 10 0 DCAELO Cn1c(CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)nc2ccccc21 ZINC000171594637 396119317 /nfs/dbraw/zinc/11/93/17/396119317.db2.gz FFSONRKYTXJIAC-GFCCVEGCSA-N 1 2 317.393 0.703 10 0 DCAELO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@@H]2CCCOC2)CC1 ZINC000172352598 396131308 /nfs/dbraw/zinc/13/13/08/396131308.db2.gz LAUUJJWZCMRVTH-TZMCWYRMSA-N 1 2 324.425 0.160 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccn[nH]2)nc[nH+]1 ZINC000173426089 396135310 /nfs/dbraw/zinc/13/53/10/396135310.db2.gz FQHMEZNJKXIRFA-SNVBAGLBSA-N 1 2 301.354 0.640 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccn[nH]2)[nH+]cn1 ZINC000173426089 396135311 /nfs/dbraw/zinc/13/53/11/396135311.db2.gz FQHMEZNJKXIRFA-SNVBAGLBSA-N 1 2 301.354 0.640 10 0 DCAELO O=C(CCCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)NC1CC1 ZINC000173786757 396136367 /nfs/dbraw/zinc/13/63/67/396136367.db2.gz SRWPWGGPAUYWMM-CQSZACIVSA-N 1 2 324.425 0.161 10 0 DCAELO CCc1nnc2ccc(N3CC[C@@H]([NH+]4CCOCC4)C3)nn21 ZINC000173976812 396137236 /nfs/dbraw/zinc/13/72/36/396137236.db2.gz JMJTWUHWBMLNBM-GFCCVEGCSA-N 1 2 302.382 0.598 10 0 DCAELO CCC(=O)N1CC[C@@H](C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000162412208 396081271 /nfs/dbraw/zinc/08/12/71/396081271.db2.gz CIYOOPYQWTVMDT-OCCSQVGLSA-N 1 2 309.410 0.224 10 0 DCAELO CCC(=O)N1CC[C@@H](C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000162412208 396081273 /nfs/dbraw/zinc/08/12/73/396081273.db2.gz CIYOOPYQWTVMDT-OCCSQVGLSA-N 1 2 309.410 0.224 10 0 DCAELO C[C@@H](NC(=O)[C@@H]1CC(F)(F)C[NH2+]1)c1nnnn1-c1ccccc1 ZINC000263229055 396207658 /nfs/dbraw/zinc/20/76/58/396207658.db2.gz NEJCXPFWILQEFZ-KOLCDFICSA-N 1 2 322.319 0.837 10 0 DCAELO CC(C)n1nccc1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000175974288 396146862 /nfs/dbraw/zinc/14/68/62/396146862.db2.gz KNABPYPUXWSMSO-UHFFFAOYSA-N 1 2 305.382 0.709 10 0 DCAELO NS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)N1CCCCCC1 ZINC000074316233 396163377 /nfs/dbraw/zinc/16/33/77/396163377.db2.gz IXFGBIMTWVESNH-GFCCVEGCSA-N 1 2 303.428 0.142 10 0 DCAELO NS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)N1CCCCCC1 ZINC000074316233 396163378 /nfs/dbraw/zinc/16/33/78/396163378.db2.gz IXFGBIMTWVESNH-GFCCVEGCSA-N 1 2 303.428 0.142 10 0 DCAELO O=C(CCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)NCc1cccnc1 ZINC000262981279 396195397 /nfs/dbraw/zinc/19/53/97/396195397.db2.gz MUKSNIIHYPOWAU-NSHDSACASA-N 1 2 312.320 0.201 10 0 DCAELO CN1C(=O)COc2ccc(NC(=O)[C@@H]3CC(F)(F)C[NH2+]3)cc21 ZINC000262975810 396195451 /nfs/dbraw/zinc/19/54/51/396195451.db2.gz MGVLDXTVZGCOJW-VIFPVBQESA-N 1 2 311.288 0.978 10 0 DCAELO Cc1cccc(C(=O)NCCNC(=O)[C@H]2CC(F)(F)C[NH2+]2)c1 ZINC000263000872 396197082 /nfs/dbraw/zinc/19/70/82/396197082.db2.gz OTNXOASRUZAQLD-GFCCVEGCSA-N 1 2 311.332 0.838 10 0 DCAELO O=C(C1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1)N1CCCC1 ZINC000263010704 396198042 /nfs/dbraw/zinc/19/80/42/396198042.db2.gz PREKQGLAMGJXCJ-GFCCVEGCSA-N 1 2 315.364 0.845 10 0 DCAELO C[C@H](NC(=O)[C@H]1CC(F)(F)C[NH2+]1)C(=O)N1CCCC[C@@H]1C ZINC000263110268 396201915 /nfs/dbraw/zinc/20/19/15/396201915.db2.gz AFBPQKHXLJTLBO-GARJFASQSA-N 1 2 303.353 0.889 10 0 DCAELO O=C(N[C@H]1CCN(c2ccccc2)C1=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263171294 396204546 /nfs/dbraw/zinc/20/45/46/396204546.db2.gz FTBRQQIMXYZVTL-RYUDHWBXSA-N 1 2 309.316 0.905 10 0 DCAELO C[C@H]1CCNC(=O)[C@@H]1NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000281959907 396252372 /nfs/dbraw/zinc/25/23/72/396252372.db2.gz VBGYXXSTABVFML-GXFFZTMASA-N 1 2 305.382 0.543 10 0 DCAELO CNC(=O)[C@@H]1C[N@H+](C[C@H](O)COc2ccc(C)cc2)CCO1 ZINC000184057661 396282624 /nfs/dbraw/zinc/28/26/24/396282624.db2.gz JHFSMWQCFVKIJO-ZFWWWQNUSA-N 1 2 308.378 0.182 10 0 DCAELO CNC(=O)[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(C)cc2)CCO1 ZINC000184057661 396282629 /nfs/dbraw/zinc/28/26/29/396282629.db2.gz JHFSMWQCFVKIJO-ZFWWWQNUSA-N 1 2 308.378 0.182 10 0 DCAELO NC(=O)[C@@H](Cc1ccc(Cl)cc1)[N@@H+]1CCCN(C(N)=O)CC1 ZINC000183609803 396271828 /nfs/dbraw/zinc/27/18/28/396271828.db2.gz ZCPQVFHNSBTKRA-CYBMUJFWSA-N 1 2 324.812 0.823 10 0 DCAELO NC(=O)[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CCCN(C(N)=O)CC1 ZINC000183609803 396271831 /nfs/dbraw/zinc/27/18/31/396271831.db2.gz ZCPQVFHNSBTKRA-CYBMUJFWSA-N 1 2 324.812 0.823 10 0 DCAELO Cc1nc(C[N@H+](C)C[C@@H]2CCCN(S(C)(=O)=O)C2)no1 ZINC000183715773 396274022 /nfs/dbraw/zinc/27/40/22/396274022.db2.gz STOXGHIGVXNCNI-NSHDSACASA-N 1 2 302.400 0.481 10 0 DCAELO Cc1nc(C[N@@H+](C)C[C@@H]2CCCN(S(C)(=O)=O)C2)no1 ZINC000183715773 396274024 /nfs/dbraw/zinc/27/40/24/396274024.db2.gz STOXGHIGVXNCNI-NSHDSACASA-N 1 2 302.400 0.481 10 0 DCAELO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1CO)Nc1ccnn1C1CCCC1 ZINC000179171277 396223129 /nfs/dbraw/zinc/22/31/29/396223129.db2.gz FUTNGLSOBUMRJA-OLZOCXBDSA-N 1 2 308.382 0.364 10 0 DCAELO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1CO)Nc1ccnn1C1CCCC1 ZINC000179171277 396223134 /nfs/dbraw/zinc/22/31/34/396223134.db2.gz FUTNGLSOBUMRJA-OLZOCXBDSA-N 1 2 308.382 0.364 10 0 DCAELO COc1ccc(NC(=O)C[N@@H+]2C[C@@H](O)C[C@@H]2CO)cc1Cl ZINC000179181095 396223482 /nfs/dbraw/zinc/22/34/82/396223482.db2.gz PXSYIHUYUUPOOZ-MNOVXSKESA-N 1 2 314.769 0.715 10 0 DCAELO COc1ccc(NC(=O)C[N@H+]2C[C@@H](O)C[C@@H]2CO)cc1Cl ZINC000179181095 396223484 /nfs/dbraw/zinc/22/34/84/396223484.db2.gz PXSYIHUYUUPOOZ-MNOVXSKESA-N 1 2 314.769 0.715 10 0 DCAELO CCc1cccc(OC[C@@H](O)C[NH+]2CC(NC(=O)COC)C2)c1 ZINC000185087343 396316891 /nfs/dbraw/zinc/31/68/91/396316891.db2.gz LBQQHCYVXYHMGQ-HNNXBMFYSA-N 1 2 322.405 0.436 10 0 DCAELO COCC(=O)NC1C[NH+](C[C@@H](O)COc2ccccc2C)C1 ZINC000185092729 396317329 /nfs/dbraw/zinc/31/73/29/396317329.db2.gz ZBEILNOQYAAEHB-CQSZACIVSA-N 1 2 308.378 0.182 10 0 DCAELO CCCCCNC(=O)C[NH+]1CCN(c2cc(OC)ncn2)CC1 ZINC000184078096 396284699 /nfs/dbraw/zinc/28/46/99/396284699.db2.gz YWRKKNIJFAVTCC-UHFFFAOYSA-N 1 2 321.425 0.914 10 0 DCAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)NC[C@](C)(O)CSC ZINC000184429757 396294970 /nfs/dbraw/zinc/29/49/70/396294970.db2.gz ZJKSAPHLJIXGRH-JSGCOSHPSA-N 1 2 304.456 0.718 10 0 DCAELO CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@](C)(O)CSC ZINC000184429757 396294974 /nfs/dbraw/zinc/29/49/74/396294974.db2.gz ZJKSAPHLJIXGRH-JSGCOSHPSA-N 1 2 304.456 0.718 10 0 DCAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)NC[C@]1(O)CCSC1 ZINC000184474529 396297008 /nfs/dbraw/zinc/29/70/08/396297008.db2.gz JMWKNIQXGXUMSW-GXTWGEPZSA-N 1 2 302.440 0.472 10 0 DCAELO CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@]1(O)CCSC1 ZINC000184474529 396297011 /nfs/dbraw/zinc/29/70/11/396297011.db2.gz JMWKNIQXGXUMSW-GXTWGEPZSA-N 1 2 302.440 0.472 10 0 DCAELO O=C(Nc1ccon1)C(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184512081 396297945 /nfs/dbraw/zinc/29/79/45/396297945.db2.gz LMRLIIIDIQQUNJ-UHFFFAOYSA-N 1 2 315.333 0.747 10 0 DCAELO Cc1ccc(S(=O)(=O)CCC[N@@H+]2C[C@H](O)C[C@@H]2CO)cc1 ZINC000185187633 396321224 /nfs/dbraw/zinc/32/12/24/396321224.db2.gz VODRVXSSBGVUNI-ZIAGYGMSSA-N 1 2 313.419 0.586 10 0 DCAELO Cc1ccc(S(=O)(=O)CCC[N@H+]2C[C@H](O)C[C@@H]2CO)cc1 ZINC000185187633 396321225 /nfs/dbraw/zinc/32/12/25/396321225.db2.gz VODRVXSSBGVUNI-ZIAGYGMSSA-N 1 2 313.419 0.586 10 0 DCAELO COCC(=O)N(C)CC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186379305 396348473 /nfs/dbraw/zinc/34/84/73/396348473.db2.gz HYCOHWYNKKJPID-UHFFFAOYSA-N 1 2 320.393 0.225 10 0 DCAELO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188798931 396386825 /nfs/dbraw/zinc/38/68/25/396386825.db2.gz HLLMHRMXKLEYMR-LBPRGKRZSA-N 1 2 324.425 0.017 10 0 DCAELO CCCOc1nc(C)ccc1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000189649193 396396814 /nfs/dbraw/zinc/39/68/14/396396814.db2.gz VOTXENRGXLFQGJ-CQSZACIVSA-N 1 2 318.421 0.908 10 0 DCAELO OCc1cc2ccccc2nc1NC[C@@H](O)C[NH+]1CCOCC1 ZINC000269353441 396409336 /nfs/dbraw/zinc/40/93/36/396409336.db2.gz KHRWRKIDHUSLLN-OAHLLOKOSA-N 1 2 317.389 0.832 10 0 DCAELO CCc1nnc(C2CC[NH+](CCS(=O)(=O)CC)CC2)[nH]1 ZINC000190686193 396410537 /nfs/dbraw/zinc/41/05/37/396410537.db2.gz KOHDNBJVMSFXDF-UHFFFAOYSA-N 1 2 300.428 0.981 10 0 DCAELO CCc1n[nH]c(C2CC[NH+](CCS(=O)(=O)CC)CC2)n1 ZINC000190686193 396410538 /nfs/dbraw/zinc/41/05/38/396410538.db2.gz KOHDNBJVMSFXDF-UHFFFAOYSA-N 1 2 300.428 0.981 10 0 DCAELO CCc1nc(C2CC[NH+](CCS(=O)(=O)CC)CC2)n[nH]1 ZINC000190686193 396410540 /nfs/dbraw/zinc/41/05/40/396410540.db2.gz KOHDNBJVMSFXDF-UHFFFAOYSA-N 1 2 300.428 0.981 10 0 DCAELO CCn1cc([C@@H]2C[N@@H+]([C@@H](C)CN3CCOCC3)CCO2)cn1 ZINC000190820319 396412038 /nfs/dbraw/zinc/41/20/38/396412038.db2.gz QUVKJTLENPMUMG-HOCLYGCPSA-N 1 2 308.426 0.997 10 0 DCAELO CCn1cc([C@@H]2C[N@H+]([C@@H](C)CN3CCOCC3)CCO2)cn1 ZINC000190820319 396412039 /nfs/dbraw/zinc/41/20/39/396412039.db2.gz QUVKJTLENPMUMG-HOCLYGCPSA-N 1 2 308.426 0.997 10 0 DCAELO Cc1cccc(OCCNC(=O)C[N@H+]2CCCN(C)C(=O)C2)c1 ZINC000191112502 396416024 /nfs/dbraw/zinc/41/60/24/396416024.db2.gz YAGPUKUMHMMERL-UHFFFAOYSA-N 1 2 319.405 0.654 10 0 DCAELO Cc1cccc(OCCNC(=O)C[N@@H+]2CCCN(C)C(=O)C2)c1 ZINC000191112502 396416027 /nfs/dbraw/zinc/41/60/27/396416027.db2.gz YAGPUKUMHMMERL-UHFFFAOYSA-N 1 2 319.405 0.654 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)cn2)C1 ZINC000193283740 396448187 /nfs/dbraw/zinc/44/81/87/396448187.db2.gz XSBNGPUGYQDUFP-JTQLQIEISA-N 1 2 312.757 0.120 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)cn2)C1 ZINC000193283740 396448188 /nfs/dbraw/zinc/44/81/88/396448188.db2.gz XSBNGPUGYQDUFP-JTQLQIEISA-N 1 2 312.757 0.120 10 0 DCAELO CC(C)(C)n1cnc(-c2nc([C@@H]3C[NH+]4CCN3CC4)no2)n1 ZINC000291080406 396478788 /nfs/dbraw/zinc/47/87/88/396478788.db2.gz NJTFIYYVGPJAEJ-JTQLQIEISA-N 1 2 303.370 0.755 10 0 DCAELO O=C(C[N@H+]1C[C@H](F)C[C@@H]1CO)N1CCO[C@@H]2CCCC[C@H]21 ZINC000372897648 396552454 /nfs/dbraw/zinc/55/24/54/396552454.db2.gz OIVDKBFMYSZADU-AAVRWANBSA-N 1 2 300.374 0.561 10 0 DCAELO O=C(C[N@@H+]1C[C@H](F)C[C@@H]1CO)N1CCO[C@@H]2CCCC[C@H]21 ZINC000372897648 396552457 /nfs/dbraw/zinc/55/24/57/396552457.db2.gz OIVDKBFMYSZADU-AAVRWANBSA-N 1 2 300.374 0.561 10 0 DCAELO C[C@@H](O)CNc1cc(N2CCN(CC(F)F)CC2)nc[nH+]1 ZINC000294558089 396681526 /nfs/dbraw/zinc/68/15/26/396681526.db2.gz WYPOOLKICPDSTB-SNVBAGLBSA-N 1 2 301.341 0.656 10 0 DCAELO C[C@H](C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)N1C(=O)CCC1=O ZINC000589947754 396732132 /nfs/dbraw/zinc/73/21/32/396732132.db2.gz HZNVNNYHYWTMCM-SNVBAGLBSA-N 1 2 304.350 0.653 10 0 DCAELO CN1CCN(C(=O)[C@H](O)c2ccccc2)C[C@H]1c1[nH]cc[nH+]1 ZINC000328639237 396828207 /nfs/dbraw/zinc/82/82/07/396828207.db2.gz WTSCRVMRJMIRHX-UONOGXRCSA-N 1 2 300.362 0.958 10 0 DCAELO C[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC000328644087 396828295 /nfs/dbraw/zinc/82/82/95/396828295.db2.gz RQKWOMTUODWBCJ-MJBXVCDLSA-N 1 2 304.394 0.934 10 0 DCAELO C[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000328644087 396828308 /nfs/dbraw/zinc/82/83/08/396828308.db2.gz RQKWOMTUODWBCJ-MJBXVCDLSA-N 1 2 304.394 0.934 10 0 DCAELO CCN1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@@H]1c1[nH+]ccn1C ZINC000328643389 396828773 /nfs/dbraw/zinc/82/87/73/396828773.db2.gz YWBZIRCYPRLFPZ-CHWSQXEVSA-N 1 2 319.409 0.104 10 0 DCAELO COc1cc(C(=O)N(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)on1 ZINC000328656751 396831495 /nfs/dbraw/zinc/83/14/95/396831495.db2.gz ZQUUWKBSWLTLHA-LBPRGKRZSA-N 1 2 309.366 0.866 10 0 DCAELO COc1cc(C(=O)N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)on1 ZINC000328656751 396831498 /nfs/dbraw/zinc/83/14/98/396831498.db2.gz ZQUUWKBSWLTLHA-LBPRGKRZSA-N 1 2 309.366 0.866 10 0 DCAELO Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000330089704 396853000 /nfs/dbraw/zinc/85/30/00/396853000.db2.gz WBKOZWHRFFWQQM-REBRKWNGSA-N 1 2 320.393 0.039 10 0 DCAELO Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000330089704 396853005 /nfs/dbraw/zinc/85/30/05/396853005.db2.gz WBKOZWHRFFWQQM-REBRKWNGSA-N 1 2 320.393 0.039 10 0 DCAELO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1cn2cccnc2n1 ZINC000572089610 397018045 /nfs/dbraw/zinc/01/80/45/397018045.db2.gz HQUDEEWKKOKYRY-UHFFFAOYSA-N 1 2 317.393 0.912 10 0 DCAELO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1cn2cccnc2n1 ZINC000572089610 397018052 /nfs/dbraw/zinc/01/80/52/397018052.db2.gz HQUDEEWKKOKYRY-UHFFFAOYSA-N 1 2 317.393 0.912 10 0 DCAELO COC(=O)[C@@H]1CC[C@H]1C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000377155959 397040114 /nfs/dbraw/zinc/04/01/14/397040114.db2.gz WAKPNKZMLGAPGZ-RRFJBIMHSA-N 1 2 324.421 0.899 10 0 DCAELO COC(=O)C1CCN(C(=O)[C@H](C)[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000377913039 397163611 /nfs/dbraw/zinc/16/36/11/397163611.db2.gz LPHNPYOMYZINOY-FPMFFAJLSA-N 1 2 310.394 0.650 10 0 DCAELO COC(=O)C1CCN(C(=O)[C@H](C)[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000377913039 397163617 /nfs/dbraw/zinc/16/36/17/397163617.db2.gz LPHNPYOMYZINOY-FPMFFAJLSA-N 1 2 310.394 0.650 10 0 DCAELO Cc1nc(N2CCC[C@H]2CS(N)(=O)=O)c2c([nH+]1)CCCC2 ZINC000408175491 397349079 /nfs/dbraw/zinc/34/90/79/397349079.db2.gz ZQFOHLMOEPLJTQ-NSHDSACASA-N 1 2 310.423 0.921 10 0 DCAELO COc1cc(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)c(Br)cn1 ZINC000621271822 397360966 /nfs/dbraw/zinc/36/09/66/397360966.db2.gz UOEQRALSEXHEHI-ZJUUUORDSA-N 1 2 317.183 0.780 10 0 DCAELO COc1cc(C[N@H+]2C[C@@H](O)C[C@@H]2CO)c(Br)cn1 ZINC000621271822 397360968 /nfs/dbraw/zinc/36/09/68/397360968.db2.gz UOEQRALSEXHEHI-ZJUUUORDSA-N 1 2 317.183 0.780 10 0 DCAELO O=C(c1cn2cccnc2n1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000603474416 397612643 /nfs/dbraw/zinc/61/26/43/397612643.db2.gz LWIRSIOGKVQMHU-UHFFFAOYSA-N 1 2 311.349 0.410 10 0 DCAELO Cc1nnc(CN2CC[NH+](CC(=O)N(C)CC3CC3)CC2)[nH]1 ZINC000605422465 397664563 /nfs/dbraw/zinc/66/45/63/397664563.db2.gz DTNFBKVSBOZNMH-UHFFFAOYSA-N 1 2 306.414 0.099 10 0 DCAELO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000408249453 300064462 /nfs/dbraw/zinc/06/44/62/300064462.db2.gz VYEKXSATOYEUTD-RYUDHWBXSA-N 1 2 302.440 0.895 10 0 DCAELO C[C@H]1C[N@H+](CC(=O)NCCN2CCc3ccccc32)CCO1 ZINC000051160681 158012940 /nfs/dbraw/zinc/01/29/40/158012940.db2.gz NDWIJVCOVMILIW-AWEZNQCLSA-N 1 2 303.406 0.886 10 0 DCAELO C[C@H]1C[N@@H+](CC(=O)NCCN2CCc3ccccc32)CCO1 ZINC000051160681 158012943 /nfs/dbraw/zinc/01/29/43/158012943.db2.gz NDWIJVCOVMILIW-AWEZNQCLSA-N 1 2 303.406 0.886 10 0 DCAELO Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CCNC(=O)CC2)c(C)c1 ZINC000054258191 158020262 /nfs/dbraw/zinc/02/02/62/158020262.db2.gz IYSBYLPRZPSUQN-UHFFFAOYSA-N 1 2 318.377 0.773 10 0 DCAELO Cc1ccc(NC(=O)NC(=O)C[N@H+]2CCNC(=O)CC2)c(C)c1 ZINC000054258191 158020264 /nfs/dbraw/zinc/02/02/64/158020264.db2.gz IYSBYLPRZPSUQN-UHFFFAOYSA-N 1 2 318.377 0.773 10 0 DCAELO CCOCc1ccc(CNC(=O)C[N@@H+]2CCNC(=O)CC2)cc1 ZINC000065954610 158035008 /nfs/dbraw/zinc/03/50/08/158035008.db2.gz MCILKLBIWHOTFK-UHFFFAOYSA-N 1 2 319.405 0.661 10 0 DCAELO CCOCc1ccc(CNC(=O)C[N@H+]2CCNC(=O)CC2)cc1 ZINC000065954610 158035010 /nfs/dbraw/zinc/03/50/10/158035010.db2.gz MCILKLBIWHOTFK-UHFFFAOYSA-N 1 2 319.405 0.661 10 0 DCAELO O[C@H](CSc1nnc(NC2CC2)s1)C[NH+]1CCOCC1 ZINC000066401417 158036226 /nfs/dbraw/zinc/03/62/26/158036226.db2.gz BMJQOXZLMODPCG-JTQLQIEISA-N 1 2 316.452 0.898 10 0 DCAELO CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCC[NH+]1CCOCC1 ZINC000086990718 158091867 /nfs/dbraw/zinc/09/18/67/158091867.db2.gz HPHNBOFPGIHEOB-LBPRGKRZSA-N 1 2 322.413 0.307 10 0 DCAELO CN(C)c1[nH+]cccc1CNC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112743033 158143628 /nfs/dbraw/zinc/14/36/28/158143628.db2.gz QOYSBHWOWLPJKK-GFCCVEGCSA-N 1 2 315.381 0.553 10 0 DCAELO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC000119994801 158191870 /nfs/dbraw/zinc/19/18/70/158191870.db2.gz JQKOXRPZTGLNSQ-OLZOCXBDSA-N 1 2 304.394 0.680 10 0 DCAELO O=C1CCC(=O)N1CC[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000126580878 158266638 /nfs/dbraw/zinc/26/66/38/158266638.db2.gz MESRPYLBHIKRRU-CQSZACIVSA-N 1 2 304.346 0.915 10 0 DCAELO O=C1CCC(=O)N1CC[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000126580878 158266640 /nfs/dbraw/zinc/26/66/40/158266640.db2.gz MESRPYLBHIKRRU-CQSZACIVSA-N 1 2 304.346 0.915 10 0 DCAELO CC(C)Cn1cc[nH+]c1CNC(=O)CN1CCCS1(=O)=O ZINC000131485666 158302659 /nfs/dbraw/zinc/30/26/59/158302659.db2.gz SDOFFQMSMAXEDI-UHFFFAOYSA-N 1 2 314.411 0.191 10 0 DCAELO C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000132527082 158311468 /nfs/dbraw/zinc/31/14/68/158311468.db2.gz HZNNKDCMZXWQMK-VIFPVBQESA-N 1 2 302.421 0.976 10 0 DCAELO C[N@H+]1CCC[C@H]1CNC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000132527082 158311471 /nfs/dbraw/zinc/31/14/71/158311471.db2.gz HZNNKDCMZXWQMK-VIFPVBQESA-N 1 2 302.421 0.976 10 0 DCAELO CCCCNC(=O)C[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135705105 158340175 /nfs/dbraw/zinc/34/01/75/158340175.db2.gz JZQZMRVWEDAIMI-ZDUSSCGKSA-N 1 2 317.455 0.403 10 0 DCAELO CCCCNC(=O)C[N@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135705105 158340178 /nfs/dbraw/zinc/34/01/78/158340178.db2.gz JZQZMRVWEDAIMI-ZDUSSCGKSA-N 1 2 317.455 0.403 10 0 DCAELO COCCCCS(=O)(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000136123767 158340972 /nfs/dbraw/zinc/34/09/72/158340972.db2.gz GXFDHPDEMYXXHL-CQSZACIVSA-N 1 2 320.455 0.397 10 0 DCAELO O=C(Nc1cccc(CN2CCOCC2)c1)[C@@H]1COCC[NH2+]1 ZINC000165947932 158366257 /nfs/dbraw/zinc/36/62/57/158366257.db2.gz NMFYVRHBUXXCDX-HNNXBMFYSA-N 1 2 305.378 0.446 10 0 DCAELO Cc1[nH+]c2ccccc2n1CCNC(=O)N1CCNC(=O)CC1 ZINC000171595560 158383940 /nfs/dbraw/zinc/38/39/40/158383940.db2.gz OTMOSMOUCACQSG-UHFFFAOYSA-N 1 2 315.377 0.876 10 0 DCAELO CCCC(O)(CCC)CNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000172583563 158396495 /nfs/dbraw/zinc/39/64/95/158396495.db2.gz CAUANPVCNBJOPO-CYBMUJFWSA-N 1 2 301.431 0.948 10 0 DCAELO CCCC(O)(CCC)CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000172583563 158396496 /nfs/dbraw/zinc/39/64/96/158396496.db2.gz CAUANPVCNBJOPO-CYBMUJFWSA-N 1 2 301.431 0.948 10 0 DCAELO CC(C)CC(=O)N[C@H](C(=O)NC[C@H]1C[NH+]2CCN1CC2)C(C)C ZINC000178650577 158461571 /nfs/dbraw/zinc/46/15/71/158461571.db2.gz HYUMQMQDRZSZRT-HOCLYGCPSA-N 1 2 324.469 0.289 10 0 DCAELO CC(C)CCS(=O)(=O)N1CC[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000181698986 158488048 /nfs/dbraw/zinc/48/80/48/158488048.db2.gz ATYMZJXUKZCKJP-CYBMUJFWSA-N 1 2 300.428 0.742 10 0 DCAELO O=C(COCc1ccccc1)NC[C@H](O)C[NH+]1CCOCC1 ZINC000192710208 158577162 /nfs/dbraw/zinc/57/71/62/158577162.db2.gz NZDXWDODCCLBBK-HNNXBMFYSA-N 1 2 308.378 0.013 10 0 DCAELO Cc1nsc(N2CC[NH+]([C@@H]3CCN(C4CC4)C3=O)CC2)n1 ZINC000328619657 159016041 /nfs/dbraw/zinc/01/60/41/159016041.db2.gz WEWMHJPBIGLPGA-GFCCVEGCSA-N 1 2 307.423 0.732 10 0 DCAELO O=C(Cn1ncc(=O)c2ccccc21)N1CC[NH+](C2CC2)CC1 ZINC000328745342 159025742 /nfs/dbraw/zinc/02/57/42/159025742.db2.gz PGDBVVHMYVJGBC-UHFFFAOYSA-N 1 2 312.373 0.703 10 0 DCAELO Cc1cnn(C[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCOCC3)CCO2)c1 ZINC000329230348 159074811 /nfs/dbraw/zinc/07/48/11/159074811.db2.gz DJYNFYZMBHGJRC-CABCVRRESA-N 1 2 322.409 0.140 10 0 DCAELO C[C@H]1C[C@@H](S(=O)(=O)NCC(C)(C)[NH+]2CCOCC2)CCO1 ZINC000329596752 159105358 /nfs/dbraw/zinc/10/53/58/159105358.db2.gz PGRKITHQCZREIS-STQMWFEESA-N 1 2 320.455 0.584 10 0 DCAELO COCC1(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)CCOCC1 ZINC000329744513 159115788 /nfs/dbraw/zinc/11/57/88/159115788.db2.gz XUBLJMQMIZRAJI-KBPBESRZSA-N 1 2 312.410 0.361 10 0 DCAELO COCC1(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)CCOCC1 ZINC000329744513 159115792 /nfs/dbraw/zinc/11/57/92/159115792.db2.gz XUBLJMQMIZRAJI-KBPBESRZSA-N 1 2 312.410 0.361 10 0 DCAELO C[C@H]([C@H](C)NC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]12)[NH+]1CCOCC1 ZINC000332840911 159214595 /nfs/dbraw/zinc/21/45/95/159214595.db2.gz ASNJYXSPDPDUQG-XPABHHOTSA-N 1 2 312.410 0.263 10 0 DCAELO CCOCC[C@H](O)C[NH+]1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000366773760 159285050 /nfs/dbraw/zinc/28/50/50/159285050.db2.gz IHSMZFPZEUORKI-ZDUSSCGKSA-N 1 2 320.455 0.320 10 0 DCAELO COC(=O)C(C)(C)CNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000408019742 160013019 /nfs/dbraw/zinc/01/30/19/160013019.db2.gz ANIXEPFBOCTPQZ-RYUDHWBXSA-N 1 2 313.398 0.300 10 0 DCAELO COC(=O)C(C)(C)CNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000408019742 160013022 /nfs/dbraw/zinc/01/30/22/160013022.db2.gz ANIXEPFBOCTPQZ-RYUDHWBXSA-N 1 2 313.398 0.300 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)CNC(=O)CC(C)(C)C)C[C@H]21 ZINC000408022611 160013968 /nfs/dbraw/zinc/01/39/68/160013968.db2.gz MFGASOPGGZFUNE-CHWSQXEVSA-N 1 2 311.426 0.470 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)CNC(=O)CC(C)(C)C)C[C@H]21 ZINC000408022611 160013971 /nfs/dbraw/zinc/01/39/71/160013971.db2.gz MFGASOPGGZFUNE-CHWSQXEVSA-N 1 2 311.426 0.470 10 0 DCAELO C[C@@H]1CC(C(=O)N2CC[NH+](CCn3cncn3)CC2)C[C@@H](C)O1 ZINC000408077610 160031242 /nfs/dbraw/zinc/03/12/42/160031242.db2.gz ZUIJXQACVAIKOC-ZIAGYGMSSA-N 1 2 321.425 0.626 10 0 DCAELO C[C@H]1CN(C(=O)c2cnc(N(C)C)cn2)C[C@H]1[NH+]1CCOCC1 ZINC000408080584 160031485 /nfs/dbraw/zinc/03/14/85/160031485.db2.gz NXHMUUBPFVHLCF-GXTWGEPZSA-N 1 2 319.409 0.335 10 0 DCAELO CCC(=O)N[C@H]1CCC[N@H+](CC(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000408152278 160049183 /nfs/dbraw/zinc/04/91/83/160049183.db2.gz YOTUHKJXDWIWRW-MJBXVCDLSA-N 1 2 311.426 0.613 10 0 DCAELO CCC(=O)N[C@H]1CCC[N@@H+](CC(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000408152278 160049184 /nfs/dbraw/zinc/04/91/84/160049184.db2.gz YOTUHKJXDWIWRW-MJBXVCDLSA-N 1 2 311.426 0.613 10 0 DCAELO CNC(=O)N[C@@H]1CC[N@@H+]([C@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000408257036 160070737 /nfs/dbraw/zinc/07/07/37/160070737.db2.gz NZSFUAYCAYHNQT-ZJUUUORDSA-N 1 2 322.331 0.543 10 0 DCAELO CNC(=O)N[C@@H]1CC[N@H+]([C@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000408257036 160070739 /nfs/dbraw/zinc/07/07/39/160070739.db2.gz NZSFUAYCAYHNQT-ZJUUUORDSA-N 1 2 322.331 0.543 10 0 DCAELO Cc1cc[nH+]cc1N1CCN(C(=O)C2(O)CCOCC2)CC1 ZINC000408260280 160071532 /nfs/dbraw/zinc/07/15/32/160071532.db2.gz FEESZXIODCWXMW-UHFFFAOYSA-N 1 2 305.378 0.580 10 0 DCAELO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)[C@@H](C)C2CC2)CC1 ZINC000408319473 160083959 /nfs/dbraw/zinc/08/39/59/160083959.db2.gz JBHVOMZLWBIWLY-UONOGXRCSA-N 1 2 323.437 0.424 10 0 DCAELO Cc1c(C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)[nH]c2c1C(=O)CCC2 ZINC000408379339 160096054 /nfs/dbraw/zinc/09/60/54/160096054.db2.gz ZKZSKGWYQPBJFI-NSHDSACASA-N 1 2 319.405 0.981 10 0 DCAELO Cc1c(C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)[nH]c2c1C(=O)CCC2 ZINC000408379339 160096055 /nfs/dbraw/zinc/09/60/55/160096055.db2.gz ZKZSKGWYQPBJFI-NSHDSACASA-N 1 2 319.405 0.981 10 0 DCAELO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)N2CCC(C)CC2)CC1 ZINC000408432599 160106866 /nfs/dbraw/zinc/10/68/66/160106866.db2.gz HCOMAYOEDZDXSP-CQSZACIVSA-N 1 2 319.471 0.352 10 0 DCAELO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N(C)CC(C)(CO)CO ZINC000408473663 160116545 /nfs/dbraw/zinc/11/65/45/160116545.db2.gz GTVLOTZFKGVAET-ZIAGYGMSSA-N 1 2 321.421 0.603 10 0 DCAELO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000172121580 286848563 /nfs/dbraw/zinc/84/85/63/286848563.db2.gz DCJUUZWXRJQXQU-RDGKXADDSA-N 1 2 311.426 0.510 10 0 DCAELO CCCn1nccc1NC(=O)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000134090868 287014977 /nfs/dbraw/zinc/01/49/77/287014977.db2.gz KMUXZWXRFXTGLS-LBPRGKRZSA-N 1 2 323.397 0.069 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)C[C@H]2CCCCO2)C[C@H]1C ZINC000246090930 287076417 /nfs/dbraw/zinc/07/64/17/287076417.db2.gz KBNWQCSLQXOZAA-HZSPNIEDSA-N 1 2 320.455 0.272 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)C[C@H]2CCCCO2)C[C@H]1C ZINC000246090930 287076418 /nfs/dbraw/zinc/07/64/18/287076418.db2.gz KBNWQCSLQXOZAA-HZSPNIEDSA-N 1 2 320.455 0.272 10 0 DCAELO CC[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247220730 287092086 /nfs/dbraw/zinc/09/20/86/287092086.db2.gz VKUSAAXOKMRALP-OLZOCXBDSA-N 1 2 317.455 0.401 10 0 DCAELO CC[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247220730 287092088 /nfs/dbraw/zinc/09/20/88/287092088.db2.gz VKUSAAXOKMRALP-OLZOCXBDSA-N 1 2 317.455 0.401 10 0 DCAELO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000333131497 287096265 /nfs/dbraw/zinc/09/62/65/287096265.db2.gz HZHFRDMCWHZBKP-YIYPIFLZSA-N 1 2 302.440 0.503 10 0 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DOSRLAXJOJEKBP-CYBMUJFWSA-N 1 2 321.377 0.458 10 0 DCAELO Cc1ccc(NC(=O)NC[C@@H](C)[NH+]2CCOCC2)cc1C(N)=O ZINC000067313946 415376372 /nfs/dbraw/zinc/37/63/72/415376372.db2.gz CKWMWEXGYDQALQ-GFCCVEGCSA-N 1 2 320.393 0.936 10 0 DCAELO Fc1cncc(C[NH+]2CCN(c3cncc4ncnn43)CC2)c1 ZINC000275866745 415385695 /nfs/dbraw/zinc/38/56/95/415385695.db2.gz XXFDUZAUNAKMQA-UHFFFAOYSA-N 1 2 313.340 0.981 10 0 DCAELO CC(C)[C@H]1OCC[C@H]1CNC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000332841802 415491601 /nfs/dbraw/zinc/49/16/01/415491601.db2.gz DAZZACBOWXMQHN-BYNSBNAKSA-N 1 2 311.426 0.772 10 0 DCAELO CC(C)[C@H]1OCC[C@H]1CNC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000332841802 415491608 /nfs/dbraw/zinc/49/16/08/415491608.db2.gz DAZZACBOWXMQHN-BYNSBNAKSA-N 1 2 311.426 0.772 10 0 DCAELO CC(C)N1C[C@H](NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)CC1=O ZINC000332754373 415465811 /nfs/dbraw/zinc/46/58/11/415465811.db2.gz JPEXFKQLDIUSCY-HZSPNIEDSA-N 1 2 324.425 0.110 10 0 DCAELO CC(C)N1C[C@H](NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)CC1=O ZINC000332754373 415465818 /nfs/dbraw/zinc/46/58/18/415465818.db2.gz JPEXFKQLDIUSCY-HZSPNIEDSA-N 1 2 324.425 0.110 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)NCCc3cscn3)C[C@H]21 ZINC000332790546 415477159 /nfs/dbraw/zinc/47/71/59/415477159.db2.gz LKLUELWUVGVSFD-OLZOCXBDSA-N 1 2 310.423 0.800 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)NCCc3cscn3)C[C@H]21 ZINC000332790546 415477165 /nfs/dbraw/zinc/47/71/65/415477165.db2.gz LKLUELWUVGVSFD-OLZOCXBDSA-N 1 2 310.423 0.800 10 0 DCAELO C[C@@H]1OCC[C@@]1(O)CNC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000333374679 415630054 /nfs/dbraw/zinc/63/00/54/415630054.db2.gz DQUYZGNYCBZQRP-JLJPHGGASA-N 1 2 304.390 0.917 10 0 DCAELO C[C@@H]1OCC[C@@]1(O)CNC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000333374679 415630061 /nfs/dbraw/zinc/63/00/61/415630061.db2.gz DQUYZGNYCBZQRP-JLJPHGGASA-N 1 2 304.390 0.917 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc4oc(=O)[nH]c4c3)C[C@H]21 ZINC000286885535 415640554 /nfs/dbraw/zinc/64/05/54/415640554.db2.gz DOMXTVLXWQOFQL-TZMCWYRMSA-N 1 2 317.345 0.666 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc4oc(=O)[nH]c4c3)C[C@H]21 ZINC000286885535 415640565 /nfs/dbraw/zinc/64/05/65/415640565.db2.gz DOMXTVLXWQOFQL-TZMCWYRMSA-N 1 2 317.345 0.666 10 0 DCAELO CC(C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000106817332 415649727 /nfs/dbraw/zinc/64/97/27/415649727.db2.gz QCOBMFVGNFKXCR-CABCVRRESA-N 1 2 324.469 0.386 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@@H]3COc4ccccc4O3)C[C@H]21 ZINC000283997299 415593123 /nfs/dbraw/zinc/59/31/23/415593123.db2.gz IEKPSRMFSBDRRO-IOASZLSFSA-N 1 2 318.373 0.758 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@@H]3COc4ccccc4O3)C[C@H]21 ZINC000283997299 415593130 /nfs/dbraw/zinc/59/31/30/415593130.db2.gz IEKPSRMFSBDRRO-IOASZLSFSA-N 1 2 318.373 0.758 10 0 DCAELO CN(CCS(C)(=O)=O)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106916962 415657695 /nfs/dbraw/zinc/65/76/95/415657695.db2.gz GOTXUULSKKLJGE-CQSZACIVSA-N 1 2 312.435 0.662 10 0 DCAELO COc1ccc(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)c(O)c1 ZINC000115164897 415723855 /nfs/dbraw/zinc/72/38/55/415723855.db2.gz KALOEOBWXRPHPO-CYBMUJFWSA-N 1 2 306.362 0.994 10 0 DCAELO COc1ccc(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)c(O)c1 ZINC000115164897 415723860 /nfs/dbraw/zinc/72/38/60/415723860.db2.gz KALOEOBWXRPHPO-CYBMUJFWSA-N 1 2 306.362 0.994 10 0 DCAELO C[C@@H](C(=O)N[C@@H]1CCc2ccccc2C1=O)N1CC[NH+](C)CC1 ZINC000333759288 415730139 /nfs/dbraw/zinc/73/01/39/415730139.db2.gz VHUFMMAPBZXPSI-XJKSGUPXSA-N 1 2 315.417 0.936 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(=O)[nH]c3cc(F)ccc32)C1 ZINC000120224098 415760938 /nfs/dbraw/zinc/76/09/38/415760938.db2.gz WKHZOGYQLNORNB-NSHDSACASA-N 1 2 319.336 0.728 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)c2cc(=O)[nH]c3cc(F)ccc32)C1 ZINC000120224098 415760945 /nfs/dbraw/zinc/76/09/45/415760945.db2.gz WKHZOGYQLNORNB-NSHDSACASA-N 1 2 319.336 0.728 10 0 DCAELO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)N2CCC[C@H](C)C2)CC1 ZINC000123326487 415843739 /nfs/dbraw/zinc/84/37/39/415843739.db2.gz HGJBEKOVRKNFAW-KBPBESRZSA-N 1 2 319.471 0.352 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@H](C)CCO)nc[nH+]1 ZINC000121025514 415790022 /nfs/dbraw/zinc/79/00/22/415790022.db2.gz NFVPKYWYIXNNGU-VXGBXAGGSA-N 1 2 322.413 0.557 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@H](C)CCO)[nH+]cn1 ZINC000121025514 415790026 /nfs/dbraw/zinc/79/00/26/415790026.db2.gz NFVPKYWYIXNNGU-VXGBXAGGSA-N 1 2 322.413 0.557 10 0 DCAELO COCc1ccccc1C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000121363025 415801594 /nfs/dbraw/zinc/80/15/94/415801594.db2.gz FVECUOKCICAQOG-AWEZNQCLSA-N 1 2 308.378 0.256 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)Nc2nnc(C(F)F)s2)C1 ZINC000134133154 415954104 /nfs/dbraw/zinc/95/41/04/415954104.db2.gz ZOIFRKYJYYPCLT-LURJTMIESA-N 1 2 307.326 0.928 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)Nc2nnc(C(F)F)s2)C1 ZINC000134133154 415954111 /nfs/dbraw/zinc/95/41/11/415954111.db2.gz ZOIFRKYJYYPCLT-LURJTMIESA-N 1 2 307.326 0.928 10 0 DCAELO CCCn1cc(C[N@@H+]2CCCN(S(N)(=O)=O)CC2)cn1 ZINC000153272515 415979322 /nfs/dbraw/zinc/97/93/22/415979322.db2.gz SRKICQHQSDZSAB-UHFFFAOYSA-N 1 2 301.416 0.004 10 0 DCAELO CCCn1cc(C[N@H+]2CCCN(S(N)(=O)=O)CC2)cn1 ZINC000153272515 415979325 /nfs/dbraw/zinc/97/93/25/415979325.db2.gz SRKICQHQSDZSAB-UHFFFAOYSA-N 1 2 301.416 0.004 10 0 DCAELO CCC(=O)N1CSC[C@H]1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000153577784 415984408 /nfs/dbraw/zinc/98/44/08/415984408.db2.gz QKYMVOWLUYSRFK-NEPJUHHUSA-N 1 2 310.423 0.947 10 0 DCAELO O=C(CCCNC(=O)C1CC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172760506 416047066 /nfs/dbraw/zinc/04/70/66/416047066.db2.gz UUQYJLVVVVFZIL-AWEZNQCLSA-N 1 2 309.410 0.226 10 0 DCAELO Cc1cc(C(=O)N2CCCC[C@@H](N3CC[NH+](C)CC3)C2)[nH]n1 ZINC000173288027 416056400 /nfs/dbraw/zinc/05/64/00/416056400.db2.gz JILPEHAQELKUAV-CQSZACIVSA-N 1 2 305.426 0.960 10 0 DCAELO Cc1cc(C(=O)N2CCCC[C@@H](N3CC[NH+](C)CC3)C2)n[nH]1 ZINC000173288027 416056405 /nfs/dbraw/zinc/05/64/05/416056405.db2.gz JILPEHAQELKUAV-CQSZACIVSA-N 1 2 305.426 0.960 10 0 DCAELO Cc1cc(C(=O)N2CCCC[C@@H]([NH+]3CCN(C)CC3)C2)[nH]n1 ZINC000173288027 416056406 /nfs/dbraw/zinc/05/64/06/416056406.db2.gz JILPEHAQELKUAV-CQSZACIVSA-N 1 2 305.426 0.960 10 0 DCAELO Cc1cc(C(=O)N2CCCC[C@@H]([NH+]3CCN(C)CC3)C2)n[nH]1 ZINC000173288027 416056412 /nfs/dbraw/zinc/05/64/12/416056412.db2.gz JILPEHAQELKUAV-CQSZACIVSA-N 1 2 305.426 0.960 10 0 DCAELO CC(=O)N1CC[N@H+](CCn2nc3ccccn3c2=O)[C@@H](C)C1 ZINC000357295991 416058424 /nfs/dbraw/zinc/05/84/24/416058424.db2.gz DHQNKIFMAJAIMG-LBPRGKRZSA-N 1 2 303.366 0.049 10 0 DCAELO CC(=O)N1CC[N@@H+](CCn2nc3ccccn3c2=O)[C@@H](C)C1 ZINC000357295991 416058427 /nfs/dbraw/zinc/05/84/27/416058427.db2.gz DHQNKIFMAJAIMG-LBPRGKRZSA-N 1 2 303.366 0.049 10 0 DCAELO COc1cc(CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)ccn1 ZINC000173773063 416065406 /nfs/dbraw/zinc/06/54/06/416065406.db2.gz MIFMJGVCADRVNM-AWEZNQCLSA-N 1 2 320.393 0.706 10 0 DCAELO CCC[C@@H](CCO)CNC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000173826746 416065682 /nfs/dbraw/zinc/06/56/82/416065682.db2.gz UQZOKMOSCABFIZ-KBPBESRZSA-N 1 2 301.431 0.805 10 0 DCAELO Cc1ccccc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000174008064 416072766 /nfs/dbraw/zinc/07/27/66/416072766.db2.gz NOBBBKHBCGMXLU-AWEZNQCLSA-N 1 2 317.389 0.867 10 0 DCAELO C[C@H](NC(=O)CC(C)(C)C)C(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000356938806 416009413 /nfs/dbraw/zinc/00/94/13/416009413.db2.gz QHCQASQXTLTDAV-AVGNSLFASA-N 1 2 311.426 0.469 10 0 DCAELO C[C@H](NC(=O)CC(C)(C)C)C(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000356938806 416009415 /nfs/dbraw/zinc/00/94/15/416009415.db2.gz QHCQASQXTLTDAV-AVGNSLFASA-N 1 2 311.426 0.469 10 0 DCAELO Cc1[nH+]c2ccccc2n1CCC(=O)N[C@H]1CN(C)NC1=O ZINC000357460094 416083615 /nfs/dbraw/zinc/08/36/15/416083615.db2.gz QDYIRQARKDBYHR-LBPRGKRZSA-N 1 2 301.350 0.196 10 0 DCAELO Cc1ccnc(N2CC[NH+]([C@@H](C)C(=O)N3CCOCC3)CC2)n1 ZINC000301801677 416092036 /nfs/dbraw/zinc/09/20/36/416092036.db2.gz SUNQVOKPSPGHLX-AWEZNQCLSA-N 1 2 319.409 0.154 10 0 DCAELO COCC[N@@H+]1CCN(C(=O)CSc2n[nH]c(C)n2)C[C@H]1C ZINC000174955219 416092444 /nfs/dbraw/zinc/09/24/44/416092444.db2.gz AGHDXLAJJIUYID-SNVBAGLBSA-N 1 2 313.427 0.384 10 0 DCAELO COCC[N@H+]1CCN(C(=O)CSc2n[nH]c(C)n2)C[C@H]1C ZINC000174955219 416092450 /nfs/dbraw/zinc/09/24/50/416092450.db2.gz AGHDXLAJJIUYID-SNVBAGLBSA-N 1 2 313.427 0.384 10 0 DCAELO COCC[N@@H+]1CCN(C(=O)CSc2nnc(C)[nH]2)C[C@H]1C ZINC000174955219 416092453 /nfs/dbraw/zinc/09/24/53/416092453.db2.gz AGHDXLAJJIUYID-SNVBAGLBSA-N 1 2 313.427 0.384 10 0 DCAELO COCC[N@H+]1CCN(C(=O)CSc2nnc(C)[nH]2)C[C@H]1C ZINC000174955219 416092456 /nfs/dbraw/zinc/09/24/56/416092456.db2.gz AGHDXLAJJIUYID-SNVBAGLBSA-N 1 2 313.427 0.384 10 0 DCAELO Cc1ccc([C@@H](CNC(=O)NCCO)[NH+]2CCOCC2)s1 ZINC000175008216 416093434 /nfs/dbraw/zinc/09/34/34/416093434.db2.gz AVKWYVRVGNTDHI-GFCCVEGCSA-N 1 2 313.423 0.721 10 0 DCAELO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329206441 416156258 /nfs/dbraw/zinc/15/62/58/416156258.db2.gz YDUZKULIUOWRAX-YIYPIFLZSA-N 1 2 314.451 0.895 10 0 DCAELO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329206441 416156261 /nfs/dbraw/zinc/15/62/61/416156261.db2.gz YDUZKULIUOWRAX-YIYPIFLZSA-N 1 2 314.451 0.895 10 0 DCAELO CS(=O)(=O)CC1(CC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000176671834 416131937 /nfs/dbraw/zinc/13/19/37/416131937.db2.gz LHMSBTNDJGZFJL-ZDUSSCGKSA-N 1 2 314.451 0.898 10 0 DCAELO CS(=O)(=O)CC1(CC(=O)N2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC000176671834 416131940 /nfs/dbraw/zinc/13/19/40/416131940.db2.gz LHMSBTNDJGZFJL-ZDUSSCGKSA-N 1 2 314.451 0.898 10 0 DCAELO C[C@@H]1CCCN1S(=O)(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000328889130 416137104 /nfs/dbraw/zinc/13/71/04/416137104.db2.gz QPVDWPSMEVRGBZ-UPJWGTAASA-N 1 2 303.428 0.120 10 0 DCAELO C[C@@H]1CCCN1S(=O)(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000328889130 416137109 /nfs/dbraw/zinc/13/71/09/416137109.db2.gz QPVDWPSMEVRGBZ-UPJWGTAASA-N 1 2 303.428 0.120 10 0 DCAELO COCCCS(=O)(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000176991419 416138448 /nfs/dbraw/zinc/13/84/48/416138448.db2.gz XAKZSTTZSASUKE-OLZOCXBDSA-N 1 2 306.428 0.005 10 0 DCAELO COCCN1C[C@@H](C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)CC1=O ZINC000177759025 416151120 /nfs/dbraw/zinc/15/11/20/416151120.db2.gz NKXXXRHFVNTOEG-UONOGXRCSA-N 1 2 320.393 0.369 10 0 DCAELO Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[NH+]3CCN2CC3)c(F)c1 ZINC000178957466 416179718 /nfs/dbraw/zinc/17/97/18/416179718.db2.gz XAXATSDEHGGEGJ-GFCCVEGCSA-N 1 2 320.368 0.189 10 0 DCAELO Cc1ccc(F)cc1NC(=O)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178965044 416179891 /nfs/dbraw/zinc/17/98/91/416179891.db2.gz UYIVKUHDACMRJD-ZDUSSCGKSA-N 1 2 320.368 0.189 10 0 DCAELO COc1cccc(OC)c1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000179025188 416180824 /nfs/dbraw/zinc/18/08/24/416180824.db2.gz IVACVOMVQGXVIE-LBPRGKRZSA-N 1 2 305.378 0.433 10 0 DCAELO O=C(/C=C/c1cnc2ccccc2n1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178618006 416165488 /nfs/dbraw/zinc/16/54/88/416165488.db2.gz WFKCSBLWQQDLBI-NFAHFFEMSA-N 1 2 323.400 0.759 10 0 DCAELO Cc1cc(N2CC[NH+]([C@H](C)C(=O)NC(=O)NC3CC3)CC2)n[nH]1 ZINC000187169169 416259932 /nfs/dbraw/zinc/25/99/32/416259932.db2.gz IVJDGXZOKHUQDU-LLVKDONJSA-N 1 2 320.397 0.217 10 0 DCAELO Cc1cc(N2CC[NH+]([C@H](C)C(=O)NC[C@H]3CCCO3)CC2)n[nH]1 ZINC000187192179 416261240 /nfs/dbraw/zinc/26/12/40/416261240.db2.gz UQCUVIXRKDWIBZ-ZIAGYGMSSA-N 1 2 321.425 0.524 10 0 DCAELO C[C@H]([NH2+]CC(=O)N1CCOCC1)c1cn(-c2ccccc2)nn1 ZINC000183357964 416239688 /nfs/dbraw/zinc/23/96/88/416239688.db2.gz KGRUUWIGHNHVCP-ZDUSSCGKSA-N 1 2 315.377 0.777 10 0 DCAELO CC(=O)c1cn(Cc2ccc3[nH]c(C)[nH+]c3c2)c(=O)n(C)c1=O ZINC000358856362 416285734 /nfs/dbraw/zinc/28/57/34/416285734.db2.gz VKNBUZYRISWTEO-UHFFFAOYSA-N 1 2 312.329 0.983 10 0 DCAELO CC(=O)c1cn(Cc2ccc3[nH+]c(C)[nH]c3c2)c(=O)n(C)c1=O ZINC000358856362 416285736 /nfs/dbraw/zinc/28/57/36/416285736.db2.gz VKNBUZYRISWTEO-UHFFFAOYSA-N 1 2 312.329 0.983 10 0 DCAELO COC(=O)[C@H](C1CC1)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000359587686 416351939 /nfs/dbraw/zinc/35/19/39/416351939.db2.gz FUZCROLFFWTEHF-RISCZKNCSA-N 1 2 309.410 0.223 10 0 DCAELO Cn1nccc1[C@H]1CCCC[N@@H+]1CCN1CCCS1(=O)=O ZINC000533208942 416480874 /nfs/dbraw/zinc/48/08/74/416480874.db2.gz HXRYSAJUMMVYDJ-CQSZACIVSA-N 1 2 312.439 0.983 10 0 DCAELO Cn1nccc1[C@H]1CCCC[N@H+]1CCN1CCCS1(=O)=O ZINC000533208942 416480882 /nfs/dbraw/zinc/48/08/82/416480882.db2.gz HXRYSAJUMMVYDJ-CQSZACIVSA-N 1 2 312.439 0.983 10 0 DCAELO CCCOCC(=O)N[C@@H]1CCC(=O)N(C)[C@H]1c1c[nH+]cn1C ZINC000583620933 416480779 /nfs/dbraw/zinc/48/07/79/416480779.db2.gz ILOLKHNOAFETLJ-IAQYHMDHSA-N 1 2 308.382 0.625 10 0 DCAELO OC[C@H]1CCCCN1c1cc(NC[C@@H](O)C(F)F)[nH+]cn1 ZINC000435605354 416526459 /nfs/dbraw/zinc/52/64/59/416526459.db2.gz SLRMEFNYJYIPDQ-NXEZZACHSA-N 1 2 302.325 0.866 10 0 DCAELO OC[C@H]1CCCCN1c1cc(NC[C@@H](O)C(F)F)nc[nH+]1 ZINC000435605354 416526464 /nfs/dbraw/zinc/52/64/64/416526464.db2.gz SLRMEFNYJYIPDQ-NXEZZACHSA-N 1 2 302.325 0.866 10 0 DCAELO CCOC(=O)CNC(=O)C1CC[NH+](Cc2ncccn2)CC1 ZINC000361860988 416512705 /nfs/dbraw/zinc/51/27/05/416512705.db2.gz TUEKBGQLPIQIFS-UHFFFAOYSA-N 1 2 306.366 0.368 10 0 DCAELO C[C@H](NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)[C@@H]1CCOC1 ZINC000557379271 416733376 /nfs/dbraw/zinc/73/33/76/416733376.db2.gz ZVBOWTRYRJOXTO-WDEREUQCSA-N 1 2 302.334 0.814 10 0 DCAELO COC1(c2ccccc2)C[NH+](C[C@H](O)CN2CCOCC2)C1 ZINC000375577920 417003896 /nfs/dbraw/zinc/00/38/96/417003896.db2.gz MHIJBFGGDKWYPF-MRXNPFEDSA-N 1 2 306.406 0.537 10 0 DCAELO CC(C)N1CCC[C@H]([N@H+](C)C[C@@H]2CCS(=O)(=O)C2)C1=O ZINC000407950618 417128461 /nfs/dbraw/zinc/12/84/61/417128461.db2.gz BSQCXDMTVHLETC-STQMWFEESA-N 1 2 302.440 0.752 10 0 DCAELO CC(C)N1CCC[C@H]([N@@H+](C)C[C@@H]2CCS(=O)(=O)C2)C1=O ZINC000407950618 417128465 /nfs/dbraw/zinc/12/84/65/417128465.db2.gz BSQCXDMTVHLETC-STQMWFEESA-N 1 2 302.440 0.752 10 0 DCAELO C[C@@H]1C[C@@H]1CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000525233027 417132611 /nfs/dbraw/zinc/13/26/11/417132611.db2.gz WRLTUZGRTXDKPD-CHWSQXEVSA-N 1 2 307.398 0.993 10 0 DCAELO CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc(C)cc(=O)[nH]3)C2)CC1 ZINC000408005621 417133140 /nfs/dbraw/zinc/13/31/40/417133140.db2.gz XSGNFCQSUAWXEC-AWEZNQCLSA-N 1 2 318.421 0.948 10 0 DCAELO C[S@](=O)c1ccc(C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)cc1 ZINC000435035812 287358261 /nfs/dbraw/zinc/35/82/61/287358261.db2.gz QSYMELBBFRKRST-QRQCRPRQSA-N 1 2 321.402 0.598 10 0 DCAELO C[S@](=O)c1ccc(C[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)cc1 ZINC000435035812 287358262 /nfs/dbraw/zinc/35/82/62/287358262.db2.gz QSYMELBBFRKRST-QRQCRPRQSA-N 1 2 321.402 0.598 10 0 DCAELO CCOCC(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000620724490 417268415 /nfs/dbraw/zinc/26/84/15/417268415.db2.gz NKHOQCSVDIJRQS-MRXNPFEDSA-N 1 2 305.422 0.955 10 0 DCAELO CCOCC(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000620724490 417268416 /nfs/dbraw/zinc/26/84/16/417268416.db2.gz NKHOQCSVDIJRQS-MRXNPFEDSA-N 1 2 305.422 0.955 10 0 DCAELO CC(=O)NCC[N@@H+](CC[C@H](C)O)[C@H](C)C(=O)OC(C)(C)C ZINC000450716271 417259539 /nfs/dbraw/zinc/25/95/39/417259539.db2.gz YCHSGJGOEQOBGN-NWDGAFQWSA-N 1 2 302.415 0.926 10 0 DCAELO CC(=O)NCC[N@H+](CC[C@H](C)O)[C@H](C)C(=O)OC(C)(C)C ZINC000450716271 417259549 /nfs/dbraw/zinc/25/95/49/417259549.db2.gz YCHSGJGOEQOBGN-NWDGAFQWSA-N 1 2 302.415 0.926 10 0 DCAELO CCOC(=O)[C@H]1C[N@H+](Cc2cc(=O)c(O)co2)CC12COC2 ZINC000451132845 417303777 /nfs/dbraw/zinc/30/37/77/417303777.db2.gz JETOGCNGLYMDLZ-LLVKDONJSA-N 1 2 309.318 0.357 10 0 DCAELO CCOC(=O)[C@H]1C[N@@H+](Cc2cc(=O)c(O)co2)CC12COC2 ZINC000451132845 417303784 /nfs/dbraw/zinc/30/37/84/417303784.db2.gz JETOGCNGLYMDLZ-LLVKDONJSA-N 1 2 309.318 0.357 10 0 DCAELO CCOC(=O)[C@@H]1C[N@@H+]([C@H](C)c2nnnn2C2CC2)CC12COC2 ZINC000451139240 417306568 /nfs/dbraw/zinc/30/65/68/417306568.db2.gz RWUYARDFJKVFFR-PWSUYJOCSA-N 1 2 321.381 0.581 10 0 DCAELO CCOC(=O)[C@@H]1C[N@H+]([C@H](C)c2nnnn2C2CC2)CC12COC2 ZINC000451139240 417306573 /nfs/dbraw/zinc/30/65/73/417306573.db2.gz RWUYARDFJKVFFR-PWSUYJOCSA-N 1 2 321.381 0.581 10 0 DCAELO O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000638682036 417535774 /nfs/dbraw/zinc/53/57/74/417535774.db2.gz RPSFMESQCVHTPS-UTLUCORTSA-N 1 2 308.350 0.162 10 0 DCAELO Cc1cn2cc(NC(=O)CN3CCCC[C@@H](O)C3=O)ccc2[nH+]1 ZINC000644339425 417542651 /nfs/dbraw/zinc/54/26/51/417542651.db2.gz ACTRFVUNJMEWRU-CYBMUJFWSA-N 1 2 316.361 0.955 10 0 DCAELO COc1cc(OC)c(OC)cc1C[N@@H+]1C[C@H](C)O[C@H](C(N)=O)C1 ZINC000628420023 417620014 /nfs/dbraw/zinc/62/00/14/417620014.db2.gz KXBWTRLYIPBXKL-BONVTDFDSA-N 1 2 324.377 0.787 10 0 DCAELO COc1cc(OC)c(OC)cc1C[N@H+]1C[C@H](C)O[C@H](C(N)=O)C1 ZINC000628420023 417620017 /nfs/dbraw/zinc/62/00/17/417620017.db2.gz KXBWTRLYIPBXKL-BONVTDFDSA-N 1 2 324.377 0.787 10 0 DCAELO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)c2cnn(C(C)(C)C)c2)CC1 ZINC000444383705 287422446 /nfs/dbraw/zinc/42/24/46/287422446.db2.gz PKSFOOIHXKPGGM-GFCCVEGCSA-N 1 2 322.409 0.346 10 0 DCAELO O=c1[nH]c(NC[C@H](O)C[NH+]2CCOCC2)nc2ccccc21 ZINC000299614151 229263595 /nfs/dbraw/zinc/26/35/95/229263595.db2.gz NIRWABMPZMJBIO-NSHDSACASA-N 1 2 304.350 0.440 10 0 DCAELO CC(C)Cn1cc[nH+]c1CNC(=O)N1C[C@H](C)O[C@H](CO)C1 ZINC000189759948 261134106 /nfs/dbraw/zinc/13/41/06/261134106.db2.gz NSWKCDQRIAFDTE-STQMWFEESA-N 1 2 310.398 0.830 10 0 DCAELO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCCCN1CCCC1=O ZINC000192889980 261139510 /nfs/dbraw/zinc/13/95/10/261139510.db2.gz MQVZARZWSIVZHA-ZDUSSCGKSA-N 1 2 312.414 0.019 10 0 DCAELO NC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)C1 ZINC000363018104 262093969 /nfs/dbraw/zinc/09/39/69/262093969.db2.gz XOHLNKOSXGYAAE-RDBSUJKOSA-N 1 2 309.410 0.354 10 0 DCAELO NC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CCO[C@H]3CCCC[C@@H]32)C1 ZINC000363018104 262093972 /nfs/dbraw/zinc/09/39/72/262093972.db2.gz XOHLNKOSXGYAAE-RDBSUJKOSA-N 1 2 309.410 0.354 10 0 DCAELO CNS(=O)(=O)c1cccc(C(=O)NCc2[nH]c[nH+]c2C)c1 ZINC000359486653 271120256 /nfs/dbraw/zinc/12/02/56/271120256.db2.gz VBAAWAXJPBIUMO-UHFFFAOYSA-N 1 2 308.363 0.556 10 0 DCAELO Cc1ncc(NC(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cn1 ZINC000490913820 272083643 /nfs/dbraw/zinc/08/36/43/272083643.db2.gz SRPGWFAIOSSQMK-UHFFFAOYSA-N 1 2 314.349 0.853 10 0 DCAELO COC(=O)C(C)(C)N1CC[NH+]([C@@H](C)C(=O)NC(C)(C)C)CC1 ZINC000494443362 272222176 /nfs/dbraw/zinc/22/21/76/272222176.db2.gz BBBUXOQGSFTCNU-LBPRGKRZSA-N 1 2 313.442 0.859 10 0 DCAELO COC(=O)C(C)(C)N1CC[NH+](Cc2cccc(C(N)=O)c2)CC1 ZINC000494463425 272222791 /nfs/dbraw/zinc/22/27/91/272222791.db2.gz KZJFBCJHAYCOMU-UHFFFAOYSA-N 1 2 319.405 0.855 10 0 DCAELO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000408248301 276009760 /nfs/dbraw/zinc/00/97/60/276009760.db2.gz ALSRUAPWNMINEB-LBPRGKRZSA-N 1 2 302.440 0.896 10 0 DCAELO CCC[N@H+]1CCC[C@H]1C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000408248301 276009761 /nfs/dbraw/zinc/00/97/61/276009761.db2.gz ALSRUAPWNMINEB-LBPRGKRZSA-N 1 2 302.440 0.896 10 0 DCAELO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)C1 ZINC000364744749 277044301 /nfs/dbraw/zinc/04/43/01/277044301.db2.gz KTBBSDYTZDDPFL-BZUAXINKSA-N 1 2 323.437 0.757 10 0 DCAELO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCO[C@@H]3CCCC[C@H]32)C1 ZINC000364744749 277044302 /nfs/dbraw/zinc/04/43/02/277044302.db2.gz KTBBSDYTZDDPFL-BZUAXINKSA-N 1 2 323.437 0.757 10 0 DCAELO Cc1cc(NC(=O)N[C@@H]2CCCN(CCO)C2=O)c(C)c[nH+]1 ZINC000546742731 288030042 /nfs/dbraw/zinc/03/00/42/288030042.db2.gz XLEBNWAUVPVTPZ-GFCCVEGCSA-N 1 2 306.366 0.225 10 0 DCAELO O=C(NCc1nnc2ccccn21)N[C@H]1CCn2cc[nH+]c2C1 ZINC000547673432 288067451 /nfs/dbraw/zinc/06/74/51/288067451.db2.gz COJDGWTWTCGUNR-NSHDSACASA-N 1 2 311.349 0.740 10 0 DCAELO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000333108661 288111720 /nfs/dbraw/zinc/11/17/20/288111720.db2.gz DOZOQGVPBQLHON-CBBWQLFWSA-N 1 2 316.467 0.893 10 0 DCAELO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1CCCc2n[nH]cc21 ZINC000134297662 279312491 /nfs/dbraw/zinc/31/24/91/279312491.db2.gz XAPDEFWZAGNMMU-OLZOCXBDSA-N 1 2 305.426 0.582 10 0 DCAELO C[C@H]1OCCN(C(=O)C2CC[NH+](CC(F)F)CC2)[C@@H]1C(N)=O ZINC000408063027 280054318 /nfs/dbraw/zinc/05/43/18/280054318.db2.gz OPRJHDJYLBSMIP-SKDRFNHKSA-N 1 2 319.352 0.065 10 0 DCAELO COCC[C@](C)(O)CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000552723485 288279663 /nfs/dbraw/zinc/27/96/63/288279663.db2.gz LUZCVCAGRNKAQV-HNNXBMFYSA-N 1 2 320.349 0.177 10 0 DCAELO Cc1ccncc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000174007737 281490073 /nfs/dbraw/zinc/49/00/73/281490073.db2.gz KXEVACHNFDIKMJ-ZDUSSCGKSA-N 1 2 318.377 0.262 10 0 DCAELO COC[C@H]1C[N@H+](Cc2cc(=O)n3[nH]ccc3n2)CC(C)(C)O1 ZINC000343343321 293234345 /nfs/dbraw/zinc/23/43/45/293234345.db2.gz XUFOARPLYQYACO-GFCCVEGCSA-N 1 2 306.366 0.648 10 0 DCAELO COC[C@H]1C[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)CC(C)(C)O1 ZINC000343343321 293234350 /nfs/dbraw/zinc/23/43/50/293234350.db2.gz XUFOARPLYQYACO-GFCCVEGCSA-N 1 2 306.366 0.648 10 0 DCAELO Cc1cc(NC(=O)[C@H](C)N2CC[C@H]([NH+]3CCOCC3)C2)on1 ZINC000173933069 301359334 /nfs/dbraw/zinc/35/93/34/301359334.db2.gz ZFICJHULVKQHDH-STQMWFEESA-N 1 2 308.382 0.717 10 0 DCAELO Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](N3CCOCC3)C2)on1 ZINC000173933069 301359338 /nfs/dbraw/zinc/35/93/38/301359338.db2.gz ZFICJHULVKQHDH-STQMWFEESA-N 1 2 308.382 0.717 10 0 DCAELO Cc1cc(NC(=O)[C@H](C)[N@H+]2CC[C@H](N3CCOCC3)C2)on1 ZINC000173933069 301359341 /nfs/dbraw/zinc/35/93/41/301359341.db2.gz ZFICJHULVKQHDH-STQMWFEESA-N 1 2 308.382 0.717 10 0 DCAELO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)CC2CCCCC2)CC1 ZINC000188284662 533705803 /nfs/dbraw/zinc/70/58/03/533705803.db2.gz WUFPKODNUPZIEY-CYBMUJFWSA-N 1 2 304.456 0.895 10 0 DCAELO O=C(N[C@@H]1CCOC2(CCC2)C1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000580258287 333042571 /nfs/dbraw/zinc/04/25/71/333042571.db2.gz WFCYGMXMPVXVFO-CYBMUJFWSA-N 1 2 321.421 0.511 10 0 DCAELO O=C(NC[C@H]1CCCn2cc[nH+]c21)C(=O)N1CCCSCC1 ZINC000580356827 336260004 /nfs/dbraw/zinc/26/00/04/336260004.db2.gz PDHCROUBMZSQQQ-GFCCVEGCSA-N 1 2 322.434 0.842 10 0 DCAELO Cn1ncnc1-c1ccc(OC[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000190684124 336265497 /nfs/dbraw/zinc/26/54/97/336265497.db2.gz SIOAVPHVIBGPMB-CQSZACIVSA-N 1 2 318.377 0.554 10 0 DCAELO OCCN1CC[NH+](CCC2=N[C@@H](c3ccccc3)NO2)CC1 ZINC000584620982 337374881 /nfs/dbraw/zinc/37/48/81/337374881.db2.gz ZKJDZWKZTJFINB-MRXNPFEDSA-N 1 2 304.394 0.619 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccnnc2)nc[nH+]1 ZINC000132301071 522568663 /nfs/dbraw/zinc/56/86/63/522568663.db2.gz HIWNOPGSQVKMHX-GFCCVEGCSA-N 1 2 313.365 0.707 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccnnc2)[nH+]cn1 ZINC000132301071 522568676 /nfs/dbraw/zinc/56/86/76/522568676.db2.gz HIWNOPGSQVKMHX-GFCCVEGCSA-N 1 2 313.365 0.707 10 0 DCAELO CCn1cc([C@@H]2C[N@H+](CCN3C(=O)CCC3=O)CCO2)cn1 ZINC000190746180 523468081 /nfs/dbraw/zinc/46/80/81/523468081.db2.gz LKEQPPOCICGIAH-ZDUSSCGKSA-N 1 2 306.366 0.425 10 0 DCAELO CCn1cc([C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)CCO2)cn1 ZINC000190746180 523468095 /nfs/dbraw/zinc/46/80/95/523468095.db2.gz LKEQPPOCICGIAH-ZDUSSCGKSA-N 1 2 306.366 0.425 10 0 DCAELO COC(=O)c1[nH]c(C)c(C(=O)NC[C@H]2C[N@H+](C)CCO2)c1C ZINC000155835099 524021801 /nfs/dbraw/zinc/02/18/01/524021801.db2.gz ZZTWJFBGDGPKPM-NSHDSACASA-N 1 2 309.366 0.479 10 0 DCAELO COC(=O)c1[nH]c(C)c(C(=O)NC[C@H]2C[N@@H+](C)CCO2)c1C ZINC000155835099 524021806 /nfs/dbraw/zinc/02/18/06/524021806.db2.gz ZZTWJFBGDGPKPM-NSHDSACASA-N 1 2 309.366 0.479 10 0 DCAELO Cn1cc([C@H]2OCCC[C@@H]2NC(=O)NCCn2cc[nH+]c2)cn1 ZINC000276356140 534758184 /nfs/dbraw/zinc/75/81/84/534758184.db2.gz RLBWTMXBZFEALY-UONOGXRCSA-N 1 2 318.381 0.836 10 0 DCAELO Cc1cccc(C[C@@H](CO)NC(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000188045411 524466791 /nfs/dbraw/zinc/46/67/91/524466791.db2.gz GJTNGNPOYDNPQI-JKSUJKDBSA-N 1 2 321.421 0.528 10 0 DCAELO Cc1cccc(C[C@@H](CO)NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000188045411 524466797 /nfs/dbraw/zinc/46/67/97/524466797.db2.gz GJTNGNPOYDNPQI-JKSUJKDBSA-N 1 2 321.421 0.528 10 0 DCAELO CCc1cc(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)n(C)n1 ZINC000284593635 536151258 /nfs/dbraw/zinc/15/12/58/536151258.db2.gz MMFIWSBRRHLGPH-QWHCGFSZSA-N 1 2 307.398 0.919 10 0 DCAELO CCc1cc(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)n(C)n1 ZINC000284593635 536151264 /nfs/dbraw/zinc/15/12/64/536151264.db2.gz MMFIWSBRRHLGPH-QWHCGFSZSA-N 1 2 307.398 0.919 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)c2sc3ncccc3c2N)C1 ZINC000091681295 545719060 /nfs/dbraw/zinc/71/90/60/545719060.db2.gz MQSCTOBPCWVVBC-SECBINFHSA-N 1 2 306.391 0.939 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)c2sc3ncccc3c2N)C1 ZINC000091681295 545719066 /nfs/dbraw/zinc/71/90/66/545719066.db2.gz MQSCTOBPCWVVBC-SECBINFHSA-N 1 2 306.391 0.939 10 0 DCAELO O=C(CCCc1ccccn1)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000128064130 545778754 /nfs/dbraw/zinc/77/87/54/545778754.db2.gz CNVZUMNQXLIKPH-OAHLLOKOSA-N 1 2 307.394 0.214 10 0 DCAELO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H]1CC(=O)N(C3CC3)C1)C2 ZINC000164471127 545876253 /nfs/dbraw/zinc/87/62/53/545876253.db2.gz IQEPDSFMYBXOBT-WDEREUQCSA-N 1 2 302.378 0.703 10 0 DCAELO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H]1CC(=O)N(C3CC3)C1)CC2 ZINC000164471127 545876257 /nfs/dbraw/zinc/87/62/57/545876257.db2.gz IQEPDSFMYBXOBT-WDEREUQCSA-N 1 2 302.378 0.703 10 0 DCAELO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)CC[C@@H]2CCCO2)CC1 ZINC000182402975 545904878 /nfs/dbraw/zinc/90/48/78/545904878.db2.gz GTDNGIMRMMBDPR-KBPBESRZSA-N 1 2 320.455 0.274 10 0 DCAELO Cc1cc(N[C@H]2CCCN(c3nccn(C)c3=O)C2)nc[nH+]1 ZINC000328643805 546037864 /nfs/dbraw/zinc/03/78/64/546037864.db2.gz YYHGVGSQNOLBSV-LBPRGKRZSA-N 1 2 300.366 0.960 10 0 DCAELO O=C1[C@@H]2CC=CC[C@H]2C(=O)N1C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000246836346 657461429 /nfs/dbraw/zinc/46/14/29/657461429.db2.gz DEDFHCRAAYWMGZ-RRFJBIMHSA-N 1 2 319.405 0.302 10 0 DCAELO O=C1[C@@H]2CC=CC[C@H]2C(=O)N1C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000246836346 657461433 /nfs/dbraw/zinc/46/14/33/657461433.db2.gz DEDFHCRAAYWMGZ-RRFJBIMHSA-N 1 2 319.405 0.302 10 0 DCAELO O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN1CC[C@H]([NH+]2CCOCC2)C1 ZINC000246836346 657461434 /nfs/dbraw/zinc/46/14/34/657461434.db2.gz DEDFHCRAAYWMGZ-RRFJBIMHSA-N 1 2 319.405 0.302 10 0 DCAELO O=S(=O)(C[C@H]1CCCO1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261828691 661732733 /nfs/dbraw/zinc/73/27/33/661732733.db2.gz YMPKCBSHIDQIQB-KGLIPLIRSA-N 1 2 311.407 0.537 10 0 DCAELO CCCCNC(=O)C1CC[NH+](Cn2cc(C(=O)OC)nn2)CC1 ZINC000042095167 663111463 /nfs/dbraw/zinc/11/14/63/663111463.db2.gz WNRXICTVWNYUEQ-UHFFFAOYSA-N 1 2 323.397 0.651 10 0 DCAELO C[C@@H](CNC(=O)NC[C@@H](O)c1ccsc1)[NH+]1CCOCC1 ZINC000153622032 664924892 /nfs/dbraw/zinc/92/48/92/664924892.db2.gz KDGVDOJMZFVSHZ-WCQYABFASA-N 1 2 313.423 0.801 10 0 DCAELO Cn1nccc1CCNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000186732113 666586151 /nfs/dbraw/zinc/58/61/51/666586151.db2.gz AGNWCWQMOREXPQ-AWEZNQCLSA-N 1 2 307.398 0.079 10 0 DCAELO C[C@@H](c1ccc(F)nc1)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000930330547 668997281 /nfs/dbraw/zinc/99/72/81/668997281.db2.gz ZUMCUFFSEWOMBI-AAEUAGOBSA-N 1 2 310.373 0.400 10 0 DCAELO C[C@@H](c1ccc(F)nc1)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000930330547 668997282 /nfs/dbraw/zinc/99/72/82/668997282.db2.gz ZUMCUFFSEWOMBI-AAEUAGOBSA-N 1 2 310.373 0.400 10 0 DCAELO Cn1cc([C@H]2CC[N@H+](CN3C(=O)N[C@](C)(C4CC4)C3=O)C2)cn1 ZINC000116257360 671030135 /nfs/dbraw/zinc/03/01/35/671030135.db2.gz JZABDWKBWCVVSD-MEDUHNTESA-N 1 2 317.393 0.887 10 0 DCAELO Cn1cc([C@H]2CC[N@@H+](CN3C(=O)N[C@](C)(C4CC4)C3=O)C2)cn1 ZINC000116257360 671030141 /nfs/dbraw/zinc/03/01/41/671030141.db2.gz JZABDWKBWCVVSD-MEDUHNTESA-N 1 2 317.393 0.887 10 0 DCAELO O=C([C@H]1CNC(=O)C1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105817573 672235565 /nfs/dbraw/zinc/23/55/65/672235565.db2.gz FXLPPQMCNWKQMS-CABCVRRESA-N 1 2 317.389 0.000 10 0 DCAELO CC(C)N1CCO[C@H](C[NH+]2CCN([C@@H]3CCOC3=O)CC2)C1 ZINC000105845750 672240861 /nfs/dbraw/zinc/24/08/61/672240861.db2.gz CRKVRMCUNRERAG-HUUCEWRRSA-N 1 2 311.426 0.029 10 0 DCAELO CCn1ncnc1C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000193472068 1188040281 /nfs/dbraw/zinc/04/02/81/1188040281.db2.gz SBSCMCLHCFOZCQ-JTQLQIEISA-N 1 2 309.395 0.796 10 0 DCAELO Cc1cnn([C@@H]2CCCN(C(=O)NC[C@@H]3C[N@H+](C)CCO3)C2)c1 ZINC000171907377 198005980 /nfs/dbraw/zinc/00/59/80/198005980.db2.gz ULUNYDMBDRVHBI-HUUCEWRRSA-N 1 2 321.425 0.869 10 0 DCAELO Cc1cnn([C@@H]2CCCN(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)C2)c1 ZINC000171907377 198005982 /nfs/dbraw/zinc/00/59/82/198005982.db2.gz ULUNYDMBDRVHBI-HUUCEWRRSA-N 1 2 321.425 0.869 10 0 DCAELO Cn1cc([C@H]2CCN(C(=O)NC[C@H]3C[N@H+](C)CCO3)C2)cn1 ZINC000172121509 198042501 /nfs/dbraw/zinc/04/25/01/198042501.db2.gz VTFIZJGUIWLZTQ-JSGCOSHPSA-N 1 2 307.398 0.250 10 0 DCAELO Cn1cc([C@H]2CCN(C(=O)NC[C@H]3C[N@@H+](C)CCO3)C2)cn1 ZINC000172121509 198042503 /nfs/dbraw/zinc/04/25/03/198042503.db2.gz VTFIZJGUIWLZTQ-JSGCOSHPSA-N 1 2 307.398 0.250 10 0 DCAELO O=C(NCCCn1cc[nH+]c1)N1CCC[C@@H](n2cncn2)C1 ZINC000174017113 198281386 /nfs/dbraw/zinc/28/13/86/198281386.db2.gz AFXWVEOXRHGXNL-CYBMUJFWSA-N 1 2 303.370 0.911 10 0 DCAELO 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395959444 /nfs/dbraw/zinc/95/94/44/395959444.db2.gz CMNRZUMIOJFSMY-NEPJUHHUSA-N 1 2 312.439 0.964 10 0 DCAELO COC(=O)[C@@H]1CCC[C@@H](C(=O)NC[C@@H](C)[NH+]2CCOCC2)C1 ZINC000247236711 395969904 /nfs/dbraw/zinc/96/99/04/395969904.db2.gz XJYPRHWRURAWHW-MGPQQGTHSA-N 1 2 312.410 0.803 10 0 DCAELO CCS(=O)(=O)CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248122522 395982710 /nfs/dbraw/zinc/98/27/10/395982710.db2.gz UOONLEJZGFUWFR-HIFRSBDPSA-N 1 2 310.419 0.983 10 0 DCAELO CCS(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000248122522 395982714 /nfs/dbraw/zinc/98/27/14/395982714.db2.gz UOONLEJZGFUWFR-HIFRSBDPSA-N 1 2 310.419 0.983 10 0 DCAELO C[C@H]1C[N@@H+]([C@H](CNC(=O)NCCO)c2cccs2)CCO1 ZINC000248343740 395984623 /nfs/dbraw/zinc/98/46/23/395984623.db2.gz KRHRGQHSPOMHQB-NWDGAFQWSA-N 1 2 313.423 0.801 10 0 DCAELO C[C@H]1C[N@H+]([C@H](CNC(=O)NCCO)c2cccs2)CCO1 ZINC000248343740 395984625 /nfs/dbraw/zinc/98/46/25/395984625.db2.gz KRHRGQHSPOMHQB-NWDGAFQWSA-N 1 2 313.423 0.801 10 0 DCAELO 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/nfs/dbraw/zinc/03/32/11/396033211.db2.gz VIYKMCPAYJWOKZ-LSDHHAIUSA-N 1 2 322.405 0.572 10 0 DCAELO O=C(N[C@@H]1CCN(Cc2ccccc2)C1=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000261856627 396072697 /nfs/dbraw/zinc/07/26/97/396072697.db2.gz ABACTNGNANVSDR-OLZOCXBDSA-N 1 2 323.343 0.901 10 0 DCAELO CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCOC[C@]23CCOC3)C1 ZINC000249392727 396007683 /nfs/dbraw/zinc/00/76/83/396007683.db2.gz BTYVOKLFKROPFT-ZIAGYGMSSA-N 1 2 318.439 0.149 10 0 DCAELO CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCOC[C@]23CCOC3)C1 ZINC000249392727 396007685 /nfs/dbraw/zinc/00/76/85/396007685.db2.gz BTYVOKLFKROPFT-ZIAGYGMSSA-N 1 2 318.439 0.149 10 0 DCAELO CC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000152911743 396017797 /nfs/dbraw/zinc/01/77/97/396017797.db2.gz MWPDMLCDTXKWMQ-CHWSQXEVSA-N 1 2 320.418 0.698 10 0 DCAELO Cn1cc([C@H]2CCCN2C(=O)NCC[NH+]2CCOCC2)cn1 ZINC000171530965 396117584 /nfs/dbraw/zinc/11/75/84/396117584.db2.gz OBTREHAEMRCPKG-CQSZACIVSA-N 1 2 307.398 0.599 10 0 DCAELO Cc1ccc(NC(=O)C[N@H+](C)C[C@H](O)CN2CCCC2=O)cc1 ZINC000171883184 396127555 /nfs/dbraw/zinc/12/75/55/396127555.db2.gz IQHOXTZOYKLFJO-HNNXBMFYSA-N 1 2 319.405 0.849 10 0 DCAELO Cc1ccc(NC(=O)C[N@@H+](C)C[C@H](O)CN2CCCC2=O)cc1 ZINC000171883184 396127558 /nfs/dbraw/zinc/12/75/58/396127558.db2.gz IQHOXTZOYKLFJO-HNNXBMFYSA-N 1 2 319.405 0.849 10 0 DCAELO CO[C@H](C)c1noc(CN(C)C(=O)[C@@H]2CC(F)(F)C[NH2+]2)n1 ZINC000263203975 396206108 /nfs/dbraw/zinc/20/61/08/396206108.db2.gz JLYNAROIZNKPQU-SFYZADRCSA-N 1 2 304.297 0.733 10 0 DCAELO COc1ccccc1CCC(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000176442702 396155615 /nfs/dbraw/zinc/15/56/15/396155615.db2.gz ZYWYKMHTIRYGIJ-OAHLLOKOSA-N 1 2 322.405 0.437 10 0 DCAELO Cc1cccc(NC(=O)C[N@H+](C)C[C@H](O)CN2CCOCC2)c1 ZINC000177366702 396172803 /nfs/dbraw/zinc/17/28/03/396172803.db2.gz PFZFKGADBZBVBY-INIZCTEOSA-N 1 2 321.421 0.558 10 0 DCAELO Cc1cccc(NC(=O)C[N@@H+](C)C[C@H](O)CN2CCOCC2)c1 ZINC000177366702 396172806 /nfs/dbraw/zinc/17/28/06/396172806.db2.gz PFZFKGADBZBVBY-INIZCTEOSA-N 1 2 321.421 0.558 10 0 DCAELO O=C(N[C@H]1CCc2ncnn2C1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177536621 396178171 /nfs/dbraw/zinc/17/81/71/396178171.db2.gz RJDSYVCPBTULNW-QWHCGFSZSA-N 1 2 315.381 0.664 10 0 DCAELO NC(=O)CCOc1ccc(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)cc1 ZINC000262925518 396192178 /nfs/dbraw/zinc/19/21/78/396192178.db2.gz HJEAUOXUENETHE-LLVKDONJSA-N 1 2 313.304 0.877 10 0 DCAELO O=C(NC1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1)C1CC1 ZINC000262999561 396197069 /nfs/dbraw/zinc/19/70/69/396197069.db2.gz OOVFVBWPLDDEAN-LLVKDONJSA-N 1 2 301.337 0.501 10 0 DCAELO O=C(NCC1CC1)[C@@H]1CCCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263040992 396199154 /nfs/dbraw/zinc/19/91/54/396199154.db2.gz SUBBTJBDMVEKTM-VXGBXAGGSA-N 1 2 315.364 0.748 10 0 DCAELO CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1CC(=O)NCC(=O)OC ZINC000184006791 396281214 /nfs/dbraw/zinc/28/12/14/396281214.db2.gz POWUACKEGSBEOZ-CQSZACIVSA-N 1 2 319.405 0.876 10 0 DCAELO CC[C@@H]1CN(c2ccccc2)CC[N@H+]1CC(=O)NCC(=O)OC ZINC000184006791 396281218 /nfs/dbraw/zinc/28/12/18/396281218.db2.gz POWUACKEGSBEOZ-CQSZACIVSA-N 1 2 319.405 0.876 10 0 DCAELO COC(=O)Cn1ncc2c1nc[nH+]c2NC[C@@H]1CCC[C@H]1O ZINC000078497792 396246960 /nfs/dbraw/zinc/24/69/60/396246960.db2.gz RJOLQVYISIWDQE-GXSJLCMTSA-N 1 2 305.338 0.572 10 0 DCAELO OC[C@H]1CCCN1c1cc(NC[C@@H](O)C(F)(F)F)[nH+]cn1 ZINC000264316710 396270328 /nfs/dbraw/zinc/27/03/28/396270328.db2.gz INGARSLVHIGJHS-RKDXNWHRSA-N 1 2 306.288 0.773 10 0 DCAELO OC[C@H]1CCCN1c1cc(NC[C@@H](O)C(F)(F)F)nc[nH+]1 ZINC000264316710 396270332 /nfs/dbraw/zinc/27/03/32/396270332.db2.gz INGARSLVHIGJHS-RKDXNWHRSA-N 1 2 306.288 0.773 10 0 DCAELO CCCCNC(=O)[C@H](C)[NH+]1CCN(c2cc(OC)ncn2)CC1 ZINC000184064160 396283253 /nfs/dbraw/zinc/28/32/53/396283253.db2.gz CXHDQZVDMJOZID-ZDUSSCGKSA-N 1 2 321.425 0.912 10 0 DCAELO COCC[N@H+](Cc1cc(-c2cnn(C)c2)no1)[C@H](C)C(N)=O ZINC000185000481 396313486 /nfs/dbraw/zinc/31/34/86/396313486.db2.gz UKIPUQTXKKIDID-SNVBAGLBSA-N 1 2 307.354 0.397 10 0 DCAELO COCC[N@@H+](Cc1cc(-c2cnn(C)c2)no1)[C@H](C)C(N)=O ZINC000185000481 396313490 /nfs/dbraw/zinc/31/34/90/396313490.db2.gz UKIPUQTXKKIDID-SNVBAGLBSA-N 1 2 307.354 0.397 10 0 DCAELO COCC(=O)NC1C[NH+](C[C@H](O)COc2ccc(F)cc2)C1 ZINC000185089749 396316573 /nfs/dbraw/zinc/31/65/73/396316573.db2.gz SWPRJQUTURSEJW-ZDUSSCGKSA-N 1 2 312.341 0.012 10 0 DCAELO CCN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2cc(OC)ncn2)CC1 ZINC000184076521 396284732 /nfs/dbraw/zinc/28/47/32/396284732.db2.gz FQOJDOKQTYKQJX-CYBMUJFWSA-N 1 2 321.425 0.864 10 0 DCAELO C[C@H]1OCC[C@@H]1S(=O)(=O)NCCc1cn2ccccc2[nH+]1 ZINC000184341077 396291245 /nfs/dbraw/zinc/29/12/45/396291245.db2.gz UEBVBSLVCLJQCU-YPMHNXCESA-N 1 2 309.391 0.974 10 0 DCAELO CCN(CC)C(=O)C[NH+]1CCN(C[C@@H](O)C(F)(F)F)CC1 ZINC000185161731 396320093 /nfs/dbraw/zinc/32/00/93/396320093.db2.gz AFHUYQLLIWGVDT-LLVKDONJSA-N 1 2 311.348 0.396 10 0 DCAELO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000184717102 396302211 /nfs/dbraw/zinc/30/22/11/396302211.db2.gz NVOCEZBYHNRORX-FBIMIBRVSA-N 1 2 300.305 0.719 10 0 DCAELO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000184717102 396302214 /nfs/dbraw/zinc/30/22/14/396302214.db2.gz NVOCEZBYHNRORX-FBIMIBRVSA-N 1 2 300.305 0.719 10 0 DCAELO COCC(=O)NC1CN(C(=O)NCc2[nH+]ccn2CC(C)C)C1 ZINC000185516422 396329481 /nfs/dbraw/zinc/32/94/81/396329481.db2.gz JJPQVJSLMYTVGY-UHFFFAOYSA-N 1 2 323.397 0.196 10 0 DCAELO C[C@]1(C(N)=O)CCCC[N@@H+]1CC(=O)NC(=O)NCC(F)(F)F ZINC000185920405 396337167 /nfs/dbraw/zinc/33/71/67/396337167.db2.gz IKJALASJYRBGDS-LLVKDONJSA-N 1 2 324.303 0.104 10 0 DCAELO C[C@]1(C(N)=O)CCCC[N@H+]1CC(=O)NC(=O)NCC(F)(F)F ZINC000185920405 396337169 /nfs/dbraw/zinc/33/71/69/396337169.db2.gz IKJALASJYRBGDS-LLVKDONJSA-N 1 2 324.303 0.104 10 0 DCAELO CCN(C)C(=O)CNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000186202508 396344589 /nfs/dbraw/zinc/34/45/89/396344589.db2.gz WRHFEGGICXCYFT-ZDUSSCGKSA-N 1 2 321.425 0.863 10 0 DCAELO CCc1cc(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)n[nH]1 ZINC000186711903 396356088 /nfs/dbraw/zinc/35/60/88/396356088.db2.gz YJKOVXDAIGRZFK-LBPRGKRZSA-N 1 2 305.382 0.009 10 0 DCAELO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](CCCN2CCOCC2)C1 ZINC000189319082 396393252 /nfs/dbraw/zinc/39/32/52/396393252.db2.gz HDWUJJMEFXPSCZ-UONOGXRCSA-N 1 2 310.398 0.862 10 0 DCAELO CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](CCCN2CCOCC2)C1 ZINC000189319082 396393253 /nfs/dbraw/zinc/39/32/53/396393253.db2.gz HDWUJJMEFXPSCZ-UONOGXRCSA-N 1 2 310.398 0.862 10 0 DCAELO CCS(=O)(=O)CCCCCN1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000190523113 396407012 /nfs/dbraw/zinc/40/70/12/396407012.db2.gz LMAUSOPPAZKZBE-HUUCEWRRSA-N 1 2 320.499 0.978 10 0 DCAELO CCS(=O)(=O)CCCCCN1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000190523113 396407014 /nfs/dbraw/zinc/40/70/14/396407014.db2.gz LMAUSOPPAZKZBE-HUUCEWRRSA-N 1 2 320.499 0.978 10 0 DCAELO CCS(=O)(=O)CCCCC[N@@H+]1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000190523113 396407015 /nfs/dbraw/zinc/40/70/15/396407015.db2.gz LMAUSOPPAZKZBE-HUUCEWRRSA-N 1 2 320.499 0.978 10 0 DCAELO CCS(=O)(=O)CCCCC[N@H+]1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000190523113 396407017 /nfs/dbraw/zinc/40/70/17/396407017.db2.gz LMAUSOPPAZKZBE-HUUCEWRRSA-N 1 2 320.499 0.978 10 0 DCAELO CCc1nnc(C2CC[NH+](CC(=O)NCCC(=O)OC)CC2)[nH]1 ZINC000190680890 396410145 /nfs/dbraw/zinc/41/01/45/396410145.db2.gz HLBFEDQCKAFJBK-UHFFFAOYSA-N 1 2 323.397 0.226 10 0 DCAELO CCc1n[nH]c(C2CC[NH+](CC(=O)NCCC(=O)OC)CC2)n1 ZINC000190680890 396410147 /nfs/dbraw/zinc/41/01/47/396410147.db2.gz HLBFEDQCKAFJBK-UHFFFAOYSA-N 1 2 323.397 0.226 10 0 DCAELO CCc1nc(C2CC[NH+](CC(=O)NCCC(=O)OC)CC2)n[nH]1 ZINC000190680890 396410149 /nfs/dbraw/zinc/41/01/49/396410149.db2.gz HLBFEDQCKAFJBK-UHFFFAOYSA-N 1 2 323.397 0.226 10 0 DCAELO CCn1cc([C@H]2C[N@H+](CCC(=O)N3CCOCC3)CCO2)cn1 ZINC000190813446 396411776 /nfs/dbraw/zinc/41/17/76/396411776.db2.gz MFDAMSHLNWMILH-OAHLLOKOSA-N 1 2 322.409 0.525 10 0 DCAELO CCn1cc([C@H]2C[N@@H+](CCC(=O)N3CCOCC3)CCO2)cn1 ZINC000190813446 396411779 /nfs/dbraw/zinc/41/17/79/396411779.db2.gz MFDAMSHLNWMILH-OAHLLOKOSA-N 1 2 322.409 0.525 10 0 DCAELO COc1ccccc1CN(C)C(=O)C[N@@H+]1CCCN(C)C(=O)C1 ZINC000191147926 396416147 /nfs/dbraw/zinc/41/61/47/396416147.db2.gz NTBFZFIHKKHCNW-UHFFFAOYSA-N 1 2 319.405 0.818 10 0 DCAELO COc1ccccc1CN(C)C(=O)C[N@H+]1CCCN(C)C(=O)C1 ZINC000191147926 396416149 /nfs/dbraw/zinc/41/61/49/396416149.db2.gz NTBFZFIHKKHCNW-UHFFFAOYSA-N 1 2 319.405 0.818 10 0 DCAELO Cc1ccc(C[C@H](CO)NC(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000188045342 396378251 /nfs/dbraw/zinc/37/82/51/396378251.db2.gz QIVPRWVCXYCUTC-HZPDHXFCSA-N 1 2 321.421 0.528 10 0 DCAELO Cc1ccc(C[C@H](CO)NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000188045342 396378253 /nfs/dbraw/zinc/37/82/53/396378253.db2.gz QIVPRWVCXYCUTC-HZPDHXFCSA-N 1 2 321.421 0.528 10 0 DCAELO O=C(C[N@@H+]1CCN2CCOC[C@@H]2C1)N1CCc2ccccc21 ZINC000371828179 396477894 /nfs/dbraw/zinc/47/78/94/396477894.db2.gz FHNQCUBACRTTQH-HNNXBMFYSA-N 1 2 301.390 0.592 10 0 DCAELO O=C(C[N@H+]1CCN2CCOC[C@@H]2C1)N1CCc2ccccc21 ZINC000371828179 396477895 /nfs/dbraw/zinc/47/78/95/396477895.db2.gz FHNQCUBACRTTQH-HNNXBMFYSA-N 1 2 301.390 0.592 10 0 DCAELO O=S(=O)(CCC[N@@H+]1CCN2CCOC[C@H]2C1)c1ccccc1 ZINC000371830472 396478162 /nfs/dbraw/zinc/47/81/62/396478162.db2.gz ZHJBUISQHJQAIE-OAHLLOKOSA-N 1 2 324.446 0.867 10 0 DCAELO O=S(=O)(CCC[N@H+]1CCN2CCOC[C@H]2C1)c1ccccc1 ZINC000371830472 396478164 /nfs/dbraw/zinc/47/81/64/396478164.db2.gz ZHJBUISQHJQAIE-OAHLLOKOSA-N 1 2 324.446 0.867 10 0 DCAELO CC(=O)N1c2ccccc2C[C@H]1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000529931067 396571155 /nfs/dbraw/zinc/57/11/55/396571155.db2.gz ATRDZGADNUMVDX-ZBFHGGJFSA-N 1 2 317.389 0.411 10 0 DCAELO CC(=O)N1c2ccccc2C[C@H]1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000529931067 396571158 /nfs/dbraw/zinc/57/11/58/396571158.db2.gz ATRDZGADNUMVDX-ZBFHGGJFSA-N 1 2 317.389 0.411 10 0 DCAELO CC(C)N1CC[N@H+](C[C@H](O)COC[C@H]2CCCO2)CC1=O ZINC000561530795 396643873 /nfs/dbraw/zinc/64/38/73/396643873.db2.gz QOVLWKJHIRGSFG-UONOGXRCSA-N 1 2 300.399 0.096 10 0 DCAELO CC(C)N1CC[N@@H+](C[C@H](O)COC[C@H]2CCCO2)CC1=O ZINC000561530795 396643876 /nfs/dbraw/zinc/64/38/76/396643876.db2.gz QOVLWKJHIRGSFG-UONOGXRCSA-N 1 2 300.399 0.096 10 0 DCAELO C[NH+](C)Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)n[nH]1 ZINC000536957334 396609817 /nfs/dbraw/zinc/60/98/17/396609817.db2.gz IJLWGNQSMRWLSC-UHFFFAOYSA-N 1 2 310.402 0.923 10 0 DCAELO COC[C@@H]1CN(c2cc(N3CCC[C@@H]3CO)nc[nH+]2)C[C@@H](C)O1 ZINC000302546566 396720325 /nfs/dbraw/zinc/72/03/25/396720325.db2.gz IZDVOGFYRILCQA-MCIONIFRSA-N 1 2 322.409 0.678 10 0 DCAELO COC[C@@H]1CN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)C[C@@H](C)O1 ZINC000302546566 396720327 /nfs/dbraw/zinc/72/03/27/396720327.db2.gz IZDVOGFYRILCQA-MCIONIFRSA-N 1 2 322.409 0.678 10 0 DCAELO CC[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2cccc(F)c2)C1 ZINC000312569474 396764772 /nfs/dbraw/zinc/76/47/72/396764772.db2.gz LHQDDNKJSBFQBW-LBPRGKRZSA-N 1 2 302.371 0.825 10 0 DCAELO CC[N@H+]1CCO[C@@H](CNS(=O)(=O)c2cccc(F)c2)C1 ZINC000312569474 396764781 /nfs/dbraw/zinc/76/47/81/396764781.db2.gz LHQDDNKJSBFQBW-LBPRGKRZSA-N 1 2 302.371 0.825 10 0 DCAELO CN1CCN(S(=O)(=O)c2cccnc2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000328620891 396823952 /nfs/dbraw/zinc/82/39/52/396823952.db2.gz HJAJJBKYDNKZHR-GFCCVEGCSA-N 1 2 307.379 0.482 10 0 DCAELO CCN1CCN(C(=O)C2=NN(C)C(=O)CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000328621972 396825344 /nfs/dbraw/zinc/82/53/44/396825344.db2.gz IDFDTBJSNQEYFF-LBPRGKRZSA-N 1 2 318.381 0.223 10 0 DCAELO NC(=O)[C@]1(O)CC[N@H+](Cc2ccncc2Br)C1 ZINC000625362944 396847330 /nfs/dbraw/zinc/84/73/30/396847330.db2.gz HJZQWZFCGHBMCD-NSHDSACASA-N 1 2 300.156 0.266 10 0 DCAELO NC(=O)[C@]1(O)CC[N@@H+](Cc2ccncc2Br)C1 ZINC000625362944 396847335 /nfs/dbraw/zinc/84/73/35/396847335.db2.gz HJZQWZFCGHBMCD-NSHDSACASA-N 1 2 300.156 0.266 10 0 DCAELO Cc1nccc(C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)n1 ZINC000377337789 397068935 /nfs/dbraw/zinc/06/89/35/397068935.db2.gz PZNBFQFGYHUJIF-AWEZNQCLSA-N 1 2 310.423 0.785 10 0 DCAELO Cc1nccc(C[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)n1 ZINC000377337789 397068943 /nfs/dbraw/zinc/06/89/43/397068943.db2.gz PZNBFQFGYHUJIF-AWEZNQCLSA-N 1 2 310.423 0.785 10 0 DCAELO CC(C)CC(=O)N1CCc2nnc([C@@H]3C[C@@H](O)C[N@@H+]3C)n2CC1 ZINC000409419628 397359276 /nfs/dbraw/zinc/35/92/76/397359276.db2.gz HSVFCNBSPZTZMV-OLZOCXBDSA-N 1 2 321.425 0.446 10 0 DCAELO CC(C)CC(=O)N1CCc2nnc([C@@H]3C[C@@H](O)C[N@H+]3C)n2CC1 ZINC000409419628 397359279 /nfs/dbraw/zinc/35/92/79/397359279.db2.gz HSVFCNBSPZTZMV-OLZOCXBDSA-N 1 2 321.425 0.446 10 0 DCAELO CC1(C)C[N@H+](CC(=O)NCC(F)(F)F)C[C@]2(CCOC2)O1 ZINC000366562296 397378001 /nfs/dbraw/zinc/37/80/01/397378001.db2.gz ABRAOWULBPCGSA-LBPRGKRZSA-N 1 2 310.316 0.935 10 0 DCAELO CC1(C)C[N@@H+](CC(=O)NCC(F)(F)F)C[C@]2(CCOC2)O1 ZINC000366562296 397378002 /nfs/dbraw/zinc/37/80/02/397378002.db2.gz ABRAOWULBPCGSA-LBPRGKRZSA-N 1 2 310.316 0.935 10 0 DCAELO O=C1NCCC[C@H]1[NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000050394900 158011794 /nfs/dbraw/zinc/01/17/94/158011794.db2.gz NUUORPOAEBSZCL-VXGBXAGGSA-N 1 2 312.366 0.912 10 0 DCAELO CCc1nc(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)no1 ZINC000054316196 158020275 /nfs/dbraw/zinc/02/02/75/158020275.db2.gz VFBRTHAGYFNPJC-GFCCVEGCSA-N 1 2 308.382 0.703 10 0 DCAELO CCc1nc(C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)no1 ZINC000054316196 158020279 /nfs/dbraw/zinc/02/02/79/158020279.db2.gz VFBRTHAGYFNPJC-GFCCVEGCSA-N 1 2 308.382 0.703 10 0 DCAELO COC(=O)[C@H]1C[N@H+](CCCNC(=O)C(F)(F)F)C[C@@H](C)O1 ZINC000091591990 158109574 /nfs/dbraw/zinc/10/95/74/158109574.db2.gz VXKONPWMARIYCN-RKDXNWHRSA-N 1 2 312.288 0.317 10 0 DCAELO COC(=O)[C@H]1C[N@@H+](CCCNC(=O)C(F)(F)F)C[C@@H](C)O1 ZINC000091591990 158109576 /nfs/dbraw/zinc/10/95/76/158109576.db2.gz VXKONPWMARIYCN-RKDXNWHRSA-N 1 2 312.288 0.317 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H](O)c2ccccc2F)C1 ZINC000104797734 158129563 /nfs/dbraw/zinc/12/95/63/158129563.db2.gz UXOWAJXHZDZKSX-RISCZKNCSA-N 1 2 311.357 0.489 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)NC[C@H](O)c2ccccc2F)C1 ZINC000104797734 158129567 /nfs/dbraw/zinc/12/95/67/158129567.db2.gz UXOWAJXHZDZKSX-RISCZKNCSA-N 1 2 311.357 0.489 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)NCC(=O)Nc2cccc(F)c2)C1 ZINC000104798517 158129621 /nfs/dbraw/zinc/12/96/21/158129621.db2.gz WDWBSWSAUKVLGW-CYBMUJFWSA-N 1 2 324.356 0.394 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)NCC(=O)Nc2cccc(F)c2)C1 ZINC000104798517 158129623 /nfs/dbraw/zinc/12/96/23/158129623.db2.gz WDWBSWSAUKVLGW-CYBMUJFWSA-N 1 2 324.356 0.394 10 0 DCAELO C[C@H]1C(=O)NCCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000106533778 158133334 /nfs/dbraw/zinc/13/33/34/158133334.db2.gz XGCAYTJKGDLJLY-LBPRGKRZSA-N 1 2 317.393 0.580 10 0 DCAELO CC(C)CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116892123 158168712 /nfs/dbraw/zinc/16/87/12/158168712.db2.gz KPRFRQJIEYVZMM-RYUDHWBXSA-N 1 2 305.444 0.161 10 0 DCAELO CC(C)CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116892123 158168715 /nfs/dbraw/zinc/16/87/15/158168715.db2.gz KPRFRQJIEYVZMM-RYUDHWBXSA-N 1 2 305.444 0.161 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)NCC[S@@](=O)C(C)(C)C)C1 ZINC000116955830 158168802 /nfs/dbraw/zinc/16/88/02/158168802.db2.gz KTPSUSMUYMMZRS-GIPWTMENSA-N 1 2 305.444 0.163 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)NCC[S@@](=O)C(C)(C)C)C1 ZINC000116955830 158168803 /nfs/dbraw/zinc/16/88/03/158168803.db2.gz KTPSUSMUYMMZRS-GIPWTMENSA-N 1 2 305.444 0.163 10 0 DCAELO CCS(=O)(=O)CCN1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000118399018 158177353 /nfs/dbraw/zinc/17/73/53/158177353.db2.gz REXNNLFZEKWMSK-CYBMUJFWSA-N 1 2 304.456 0.606 10 0 DCAELO CCS(=O)(=O)CCN1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000118399018 158177355 /nfs/dbraw/zinc/17/73/55/158177355.db2.gz REXNNLFZEKWMSK-CYBMUJFWSA-N 1 2 304.456 0.606 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)N(C)Cc2[nH+]ccn2C)C[C@@H](C)O1 ZINC000119309572 158185583 /nfs/dbraw/zinc/18/55/83/158185583.db2.gz OGINISCMZTTWLS-GHMZBOCLSA-N 1 2 302.400 0.206 10 0 DCAELO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)N2CCCCCC2)C[C@@H]1C ZINC000122385739 158220522 /nfs/dbraw/zinc/22/05/22/158220522.db2.gz CUMXQCYCUBSXMP-UONOGXRCSA-N 1 2 319.471 0.494 10 0 DCAELO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)N2CCCCCC2)C[C@@H]1C ZINC000122385739 158220524 /nfs/dbraw/zinc/22/05/24/158220524.db2.gz CUMXQCYCUBSXMP-UONOGXRCSA-N 1 2 319.471 0.494 10 0 DCAELO O=C(Nc1ccon1)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000129860958 158292267 /nfs/dbraw/zinc/29/22/67/158292267.db2.gz JCRMRLPLBFDMSY-GFCCVEGCSA-N 1 2 322.365 0.326 10 0 DCAELO Cc1c(CCC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cnn1C ZINC000134813429 158331170 /nfs/dbraw/zinc/33/11/70/158331170.db2.gz LHEYGDWPWYEEJG-OAHLLOKOSA-N 1 2 306.410 0.641 10 0 DCAELO Cc1c(CCC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cnn1C ZINC000134813429 158331172 /nfs/dbraw/zinc/33/11/72/158331172.db2.gz LHEYGDWPWYEEJG-OAHLLOKOSA-N 1 2 306.410 0.641 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2cccnc2Br)C1 ZINC000135154616 158333964 /nfs/dbraw/zinc/33/39/64/158333964.db2.gz BLSSMPGLZASMRU-VIFPVBQESA-N 1 2 314.183 0.905 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)c2cccnc2Br)C1 ZINC000135154616 158333966 /nfs/dbraw/zinc/33/39/66/158333966.db2.gz BLSSMPGLZASMRU-VIFPVBQESA-N 1 2 314.183 0.905 10 0 DCAELO CCNC(=O)NC1(C(=O)NC[C@H]2C[N@H+](C)CCO2)CCCC1 ZINC000170683705 158375946 /nfs/dbraw/zinc/37/59/46/158375946.db2.gz BFEFSUDYYKPDRH-LBPRGKRZSA-N 1 2 312.414 0.065 10 0 DCAELO CCNC(=O)NC1(C(=O)NC[C@H]2C[N@@H+](C)CCO2)CCCC1 ZINC000170683705 158375947 /nfs/dbraw/zinc/37/59/47/158375947.db2.gz BFEFSUDYYKPDRH-LBPRGKRZSA-N 1 2 312.414 0.065 10 0 DCAELO CCCCCS(=O)(=O)CC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000170828876 158377518 /nfs/dbraw/zinc/37/75/18/158377518.db2.gz NRAHGBZLNOJYCU-ZDUSSCGKSA-N 1 2 302.440 0.898 10 0 DCAELO CCCCCS(=O)(=O)CC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000170828876 158377519 /nfs/dbraw/zinc/37/75/19/158377519.db2.gz NRAHGBZLNOJYCU-ZDUSSCGKSA-N 1 2 302.440 0.898 10 0 DCAELO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000171752205 158386847 /nfs/dbraw/zinc/38/68/47/158386847.db2.gz YFIGCSOOGHZRBQ-WQVCFCJDSA-N 1 2 319.405 0.665 10 0 DCAELO CC(C)C(=O)N1CCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172756189 158398849 /nfs/dbraw/zinc/39/88/49/158398849.db2.gz WBVYVHUTXGWPCW-CABCVRRESA-N 1 2 323.437 0.567 10 0 DCAELO CCOCCO[C@@H](C)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172763949 158399697 /nfs/dbraw/zinc/39/96/97/158399697.db2.gz DROZNNHNVAJSBI-KBPBESRZSA-N 1 2 300.399 0.361 10 0 DCAELO CN(C)c1[nH+]cccc1CNC(=O)N1CCC[C@H](CC(N)=O)C1 ZINC000175276282 158425104 /nfs/dbraw/zinc/42/51/04/158425104.db2.gz YTCWXXODIOKNMT-GFCCVEGCSA-N 1 2 319.409 0.945 10 0 DCAELO O=C(c1cc2n(n1)CCCO2)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000328640676 159016736 /nfs/dbraw/zinc/01/67/36/159016736.db2.gz CUZXOJVCICYTID-CQSZACIVSA-N 1 2 313.361 0.847 10 0 DCAELO O=C(CN1CN=NC1=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000328661711 159018493 /nfs/dbraw/zinc/01/84/93/159018493.db2.gz AJYAEGYHCTVJHC-GFCCVEGCSA-N 1 2 321.768 0.810 10 0 DCAELO CCn1cncc1S(=O)(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000328787316 159029521 /nfs/dbraw/zinc/02/95/21/159029521.db2.gz OXEPHMFRFYNULV-NSHDSACASA-N 1 2 309.395 0.815 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(S(=O)(=O)CC3CCOCC3)C[C@H]21 ZINC000328877314 159037284 /nfs/dbraw/zinc/03/72/84/159037284.db2.gz KNFKPVOQQSWUKV-ZIAGYGMSSA-N 1 2 318.439 0.148 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(S(=O)(=O)CC3CCOCC3)C[C@H]21 ZINC000328877314 159037286 /nfs/dbraw/zinc/03/72/86/159037286.db2.gz KNFKPVOQQSWUKV-ZIAGYGMSSA-N 1 2 318.439 0.148 10 0 DCAELO Cn1nc(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)cc1C1CC1 ZINC000328903269 159038693 /nfs/dbraw/zinc/03/86/93/159038693.db2.gz HQYDKMZWIQTVEZ-HUUCEWRRSA-N 1 2 304.394 0.843 10 0 DCAELO Cn1nc(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)cc1C1CC1 ZINC000328903269 159038696 /nfs/dbraw/zinc/03/86/96/159038696.db2.gz HQYDKMZWIQTVEZ-HUUCEWRRSA-N 1 2 304.394 0.843 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Cn3cc4ccccc4n3)C[C@H]21 ZINC000329181931 159070844 /nfs/dbraw/zinc/07/08/44/159070844.db2.gz NPOGBIUGLVIZOU-HZPDHXFCSA-N 1 2 314.389 0.968 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)Cn3cc4ccccc4n3)C[C@H]21 ZINC000329181931 159070846 /nfs/dbraw/zinc/07/08/46/159070846.db2.gz NPOGBIUGLVIZOU-HZPDHXFCSA-N 1 2 314.389 0.968 10 0 DCAELO c1c(-c2nc([C@H]3C[NH+]4CCN3CC4)no2)nn2c1OCCC2 ZINC000329368710 159085868 /nfs/dbraw/zinc/08/58/68/159085868.db2.gz AFONVRWGYXIHLE-LLVKDONJSA-N 1 2 302.338 0.388 10 0 DCAELO c1[nH]nc([C@H]2CCOC2)c1-c1nc([C@@H]2C[NH+]3CCN2CC3)no1 ZINC000329579494 159104138 /nfs/dbraw/zinc/10/41/38/159104138.db2.gz KTZHKOPGBRJAIA-JQWIXIFHSA-N 1 2 316.365 0.636 10 0 DCAELO C[C@H]1C[C@H](S(=O)(=O)NCC[N@@H+]2CCOC(C)(C)C2)CCO1 ZINC000329581313 159104932 /nfs/dbraw/zinc/10/49/32/159104932.db2.gz LFZXSLQZCZYSPL-QWHCGFSZSA-N 1 2 320.455 0.584 10 0 DCAELO C[C@H]1C[C@H](S(=O)(=O)NCC[N@H+]2CCOC(C)(C)C2)CCO1 ZINC000329581313 159104933 /nfs/dbraw/zinc/10/49/33/159104933.db2.gz LFZXSLQZCZYSPL-QWHCGFSZSA-N 1 2 320.455 0.584 10 0 DCAELO C[C@@H](CC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)N1CCCCC1=O ZINC000329935273 159129967 /nfs/dbraw/zinc/12/99/67/159129967.db2.gz QXBDBVLPYMRSIS-GJZGRUSLSA-N 1 2 323.437 0.711 10 0 DCAELO Cn1ncc(Cl)c1S(=O)(=O)N1CC[NH+](C2CC2)CC1 ZINC000330278208 159156320 /nfs/dbraw/zinc/15/63/20/159156320.db2.gz PICRIMDBPBQTGB-UHFFFAOYSA-N 1 2 304.803 0.542 10 0 DCAELO CN(C)C(=O)C1(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000330302051 159158488 /nfs/dbraw/zinc/15/84/88/159158488.db2.gz OBNUSPUIGUBCTD-ZDUSSCGKSA-N 1 2 303.362 0.930 10 0 DCAELO CC(=O)N1CSC[C@H]1C(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000367082729 159311214 /nfs/dbraw/zinc/31/12/14/159311214.db2.gz AGQQXNQXPFPNRK-KBPBESRZSA-N 1 2 320.418 0.476 10 0 DCAELO O=C(C=C1CCC1)N[C@H]1CCCN(CC[NH+]2CCOCC2)C1=O ZINC000367985581 159367899 /nfs/dbraw/zinc/36/78/99/159367899.db2.gz WDBHYWSAZJIIRA-HNNXBMFYSA-N 1 2 321.421 0.536 10 0 DCAELO COC(=O)C1CCN(C(=O)[C@H](C)[N@@H+]2CCC(=O)[C@H](C)C2)CC1 ZINC000407986310 160003176 /nfs/dbraw/zinc/00/31/76/160003176.db2.gz SPJRPBLVEDEDDL-NEPJUHHUSA-N 1 2 310.394 0.697 10 0 DCAELO COC(=O)C1CCN(C(=O)[C@H](C)[N@H+]2CCC(=O)[C@H](C)C2)CC1 ZINC000407986310 160003179 /nfs/dbraw/zinc/00/31/79/160003179.db2.gz SPJRPBLVEDEDDL-NEPJUHHUSA-N 1 2 310.394 0.697 10 0 DCAELO COCC[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@H](C)C2)C[C@H]1C ZINC000407988074 160003783 /nfs/dbraw/zinc/00/37/83/160003783.db2.gz GBEZCVHFLMEELH-UONOGXRCSA-N 1 2 311.426 0.424 10 0 DCAELO COCC[N@H+]1CCN(C(=O)C(=O)N2CCC[C@H](C)C2)C[C@H]1C ZINC000407988074 160003785 /nfs/dbraw/zinc/00/37/85/160003785.db2.gz GBEZCVHFLMEELH-UONOGXRCSA-N 1 2 311.426 0.424 10 0 DCAELO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)N2CCC(C)CC2)CC1 ZINC000407991168 160005366 /nfs/dbraw/zinc/00/53/66/160005366.db2.gz SRXZBHBQMOJEOW-AWEZNQCLSA-N 1 2 319.471 0.352 10 0 DCAELO C[C@H](C(=O)N1CCC[C@@H]1[C@@H](O)C(F)(F)F)[NH+]1CCOCC1 ZINC000408011611 160010598 /nfs/dbraw/zinc/01/05/98/160010598.db2.gz YUBFIRWHBCGBOT-GMTAPVOTSA-N 1 2 310.316 0.621 10 0 DCAELO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1C[C@H](C)O[C@H](CO)C1 ZINC000408048688 160022777 /nfs/dbraw/zinc/02/27/77/160022777.db2.gz ZUZKUFUSGIVJAX-CBBWQLFWSA-N 1 2 319.405 0.762 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)N(C)Cc2[nH+]ccn2C)[C@@H](C)CO1 ZINC000408056335 160025372 /nfs/dbraw/zinc/02/53/72/160025372.db2.gz GFGFSIIDNHLDIQ-WDEREUQCSA-N 1 2 302.400 0.206 10 0 DCAELO CC(=O)N1CSC[C@H]1C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000408099040 160035996 /nfs/dbraw/zinc/03/59/96/160035996.db2.gz JETAUJAYFZJAEM-AWEZNQCLSA-N 1 2 323.418 0.845 10 0 DCAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@@H](C)S(C)(=O)=O)C2 ZINC000408146174 160047863 /nfs/dbraw/zinc/04/78/63/160047863.db2.gz YDELPOGLCHGZOL-SNVBAGLBSA-N 1 2 313.423 0.861 10 0 DCAELO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)[C@H]1CNC(=O)C1)C2 ZINC000408156699 160049242 /nfs/dbraw/zinc/04/92/42/160049242.db2.gz AYTKVVWYRBSQOG-GHMZBOCLSA-N 1 2 304.394 0.748 10 0 DCAELO C[C@H]1C[C@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)CC(=O)N1 ZINC000408166973 160051371 /nfs/dbraw/zinc/05/13/71/160051371.db2.gz VLYFLZYBQMSLDW-STQMWFEESA-N 1 2 302.378 0.645 10 0 DCAELO COCC[N@@H+]1CCN(S(=O)(=O)N2CCCC[C@@H]2C)C[C@@H]1C ZINC000408183776 160054503 /nfs/dbraw/zinc/05/45/03/160054503.db2.gz UEYFKARSQATKAY-KBPBESRZSA-N 1 2 319.471 0.758 10 0 DCAELO COCC[N@H+]1CCN(S(=O)(=O)N2CCCC[C@@H]2C)C[C@@H]1C ZINC000408183776 160054505 /nfs/dbraw/zinc/05/45/05/160054505.db2.gz UEYFKARSQATKAY-KBPBESRZSA-N 1 2 319.471 0.758 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3cccc(NC(N)=O)c3)C[C@H]21 ZINC000408292935 160077427 /nfs/dbraw/zinc/07/74/27/160077427.db2.gz FFPSYZVQQGFQPI-CHWSQXEVSA-N 1 2 304.350 0.332 10 0 DCAELO C[N@H+]1CCO[C@@H]2CN(C(=O)c3cccc(NC(N)=O)c3)C[C@H]21 ZINC000408292935 160077429 /nfs/dbraw/zinc/07/74/29/160077429.db2.gz FFPSYZVQQGFQPI-CHWSQXEVSA-N 1 2 304.350 0.332 10 0 DCAELO Cn1cc[nH+]c1[C@H]1CN(C(=O)NC[C@]2(C)CCOC2)CCN1C ZINC000408302815 160079961 /nfs/dbraw/zinc/07/99/61/160079961.db2.gz JHIZONUTQDHIRL-CJNGLKHVSA-N 1 2 321.425 0.845 10 0 DCAELO CC(=O)N1CC[C@H](C(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000408354265 160090992 /nfs/dbraw/zinc/09/09/92/160090992.db2.gz JGVLMTNBAXLFEZ-AWEZNQCLSA-N 1 2 305.378 0.792 10 0 DCAELO 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/nfs/dbraw/zinc/02/92/36/287029236.db2.gz GCTWFCNERBOVIU-ZDUSSCGKSA-N 1 2 309.414 0.697 10 0 DCAELO CCOCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000245446461 287069315 /nfs/dbraw/zinc/06/93/15/287069315.db2.gz ZWCUKISTVIGAKL-PWSUYJOCSA-N 1 2 312.332 0.917 10 0 DCAELO CCOCCCNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000245446461 287069316 /nfs/dbraw/zinc/06/93/16/287069316.db2.gz ZWCUKISTVIGAKL-PWSUYJOCSA-N 1 2 312.332 0.917 10 0 DCAELO CC[C@@H]1CN(C(=O)N[C@@H](C)C[S@@](C)=O)CC[N@@H+]1CCOC ZINC000248443785 287097472 /nfs/dbraw/zinc/09/74/72/287097472.db2.gz BHNALXWEOMVVFV-OSRJUQGESA-N 1 2 319.471 0.506 10 0 DCAELO CC[C@@H]1CN(C(=O)N[C@@H](C)C[S@@](C)=O)CC[N@H+]1CCOC ZINC000248443785 287097475 /nfs/dbraw/zinc/09/74/75/287097475.db2.gz BHNALXWEOMVVFV-OSRJUQGESA-N 1 2 319.471 0.506 10 0 DCAELO C[C@H](CNC(=O)c1ccc(CNC(N)=O)cc1)[NH+]1CCOCC1 ZINC000029957761 415178366 /nfs/dbraw/zinc/17/83/66/415178366.db2.gz RTORUIOCOMRFPX-GFCCVEGCSA-N 1 2 320.393 0.305 10 0 DCAELO C[NH+]1CCN(C(=O)CC2CCN(C(=O)c3ccn[nH]3)CC2)CC1 ZINC000066858401 415371918 /nfs/dbraw/zinc/37/19/18/415371918.db2.gz HVPSUKSWCUTQBG-UHFFFAOYSA-N 1 2 319.409 0.426 10 0 DCAELO C[C@H]1C[N@H+](CCO)CCN1S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000333158578 415571721 /nfs/dbraw/zinc/57/17/21/415571721.db2.gz LNCPBEOMAVMEES-CRWXNKLISA-N 1 2 302.440 0.503 10 0 DCAELO C[C@H]1C[N@@H+](CCO)CCN1S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000333158578 415571726 /nfs/dbraw/zinc/57/17/26/415571726.db2.gz LNCPBEOMAVMEES-CRWXNKLISA-N 1 2 302.440 0.503 10 0 DCAELO CCc1ncc(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)cn1 ZINC000285823239 415618370 /nfs/dbraw/zinc/61/83/70/415618370.db2.gz FKJLIBOJYXGARF-OLZOCXBDSA-N 1 2 305.382 0.976 10 0 DCAELO CCc1ncc(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)cn1 ZINC000285823239 415618376 /nfs/dbraw/zinc/61/83/76/415618376.db2.gz FKJLIBOJYXGARF-OLZOCXBDSA-N 1 2 305.382 0.976 10 0 DCAELO O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CCNC(=O)CC1 ZINC000105142714 415631170 /nfs/dbraw/zinc/63/11/70/415631170.db2.gz RRRZLNGLBPHGMN-UHFFFAOYSA-N 1 2 317.393 0.582 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)NCC[S@](=O)C(C)(C)C)C1 ZINC000116955833 415733252 /nfs/dbraw/zinc/73/32/52/415733252.db2.gz KTPSUSMUYMMZRS-PRWKNARSSA-N 1 2 305.444 0.163 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)NCC[S@](=O)C(C)(C)C)C1 ZINC000116955833 415733255 /nfs/dbraw/zinc/73/32/55/415733255.db2.gz KTPSUSMUYMMZRS-PRWKNARSSA-N 1 2 305.444 0.163 10 0 DCAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1ccc(=O)n(C)n1)C2 ZINC000112667121 415715360 /nfs/dbraw/zinc/71/53/60/415715360.db2.gz NNOIYAXEROSIFA-UHFFFAOYSA-N 1 2 315.377 0.836 10 0 DCAELO C[C@H]1C[C@@H](S(=O)(=O)NC(C)(C)C[NH+]2CCOCC2)CCO1 ZINC000333923432 415765507 /nfs/dbraw/zinc/76/55/07/415765507.db2.gz SDXPOLPNDPYGQS-STQMWFEESA-N 1 2 320.455 0.584 10 0 DCAELO CC[C@H](OC1CCCC1)C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000128026267 415895558 /nfs/dbraw/zinc/89/55/58/415895558.db2.gz TZWJTROICNDFCF-ZFWWWQNUSA-N 1 2 314.426 0.534 10 0 DCAELO COc1csc(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000133109975 415941640 /nfs/dbraw/zinc/94/16/40/415941640.db2.gz NSJVORDBOIYPEW-SNVBAGLBSA-N 1 2 300.380 0.180 10 0 DCAELO CN1CCN(C(=O)NCc2cccnc2-n2cc[nH+]c2)CC1=O ZINC000153425655 415980741 /nfs/dbraw/zinc/98/07/41/415980741.db2.gz JDLKKYQOAWHZSS-UHFFFAOYSA-N 1 2 314.349 0.251 10 0 DCAELO COCCCS(=O)(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000173894315 416067514 /nfs/dbraw/zinc/06/75/14/416067514.db2.gz AFOBDGDQSKNFQE-CQSZACIVSA-N 1 2 320.455 0.539 10 0 DCAELO COc1ccc(OC)c(C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)c1 ZINC000357385970 416070554 /nfs/dbraw/zinc/07/05/54/416070554.db2.gz BIXLGQVIGDMWSH-LBPRGKRZSA-N 1 2 300.380 0.567 10 0 DCAELO COc1ccc(OC)c(C[N@H+]2CC[C@H](S(N)(=O)=O)C2)c1 ZINC000357385970 416070557 /nfs/dbraw/zinc/07/05/57/416070557.db2.gz BIXLGQVIGDMWSH-LBPRGKRZSA-N 1 2 300.380 0.567 10 0 DCAELO C[C@H](NC(=O)CC(C)(C)C)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000356938808 416009229 /nfs/dbraw/zinc/00/92/29/416009229.db2.gz QHCQASQXTLTDAV-XQQFMLRXSA-N 1 2 311.426 0.469 10 0 DCAELO C[C@H](NC(=O)CC(C)(C)C)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000356938808 416009232 /nfs/dbraw/zinc/00/92/32/416009232.db2.gz QHCQASQXTLTDAV-XQQFMLRXSA-N 1 2 311.426 0.469 10 0 DCAELO Cc1noc(-c2cccnc2NC[C@H]2C[NH+]3CCN2CC3)n1 ZINC000301752354 416090891 /nfs/dbraw/zinc/09/08/91/416090891.db2.gz BLNKBXDNASYAFA-LBPRGKRZSA-N 1 2 300.366 0.852 10 0 DCAELO Cc1noc(-c2cccnc2NC[C@H]2CN3CC[NH+]2CC3)n1 ZINC000301752354 416090895 /nfs/dbraw/zinc/09/08/95/416090895.db2.gz BLNKBXDNASYAFA-LBPRGKRZSA-N 1 2 300.366 0.852 10 0 DCAELO COC[C@H](NC(=O)NC[C@H](C)[NH+]1CCOCC1)c1ccco1 ZINC000175273868 416100702 /nfs/dbraw/zinc/10/07/02/416100702.db2.gz PSVVPQNFOSOKIK-STQMWFEESA-N 1 2 311.382 0.987 10 0 DCAELO O=C(CNC(=O)c1cccnc1)NCc1ccn2cc[nH+]c2c1 ZINC000178073734 416156059 /nfs/dbraw/zinc/15/60/59/416156059.db2.gz KQMRXHMUFVVMKG-UHFFFAOYSA-N 1 2 309.329 0.776 10 0 DCAELO CCOCCNC(=O)C[N@@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000175962444 416118833 /nfs/dbraw/zinc/11/88/33/416118833.db2.gz HIOYBZKXVSKYMW-UHFFFAOYSA-N 1 2 323.441 0.081 10 0 DCAELO CCOCCNC(=O)C[N@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000175962444 416118837 /nfs/dbraw/zinc/11/88/37/416118837.db2.gz HIOYBZKXVSKYMW-UHFFFAOYSA-N 1 2 323.441 0.081 10 0 DCAELO Cc1cc(NC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)nn1C ZINC000328645936 416125050 /nfs/dbraw/zinc/12/50/50/416125050.db2.gz ZVHINECRNMSAKH-LBPRGKRZSA-N 1 2 317.397 0.983 10 0 DCAELO Cc1ccc(O)c(C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c1 ZINC000176901588 416135765 /nfs/dbraw/zinc/13/57/65/416135765.db2.gz RDHUOEKNCURBTC-MRXNPFEDSA-N 1 2 308.378 0.514 10 0 DCAELO Cn1nnc2cc(C(=O)N3CC[C@@H]4OCC[N@H+](C)[C@@H]4C3)ccc21 ZINC000328923504 416139596 /nfs/dbraw/zinc/13/95/96/416139596.db2.gz UXNZZZMOIGVTSI-CABCVRRESA-N 1 2 315.377 0.513 10 0 DCAELO Cn1nnc2cc(C(=O)N3CC[C@@H]4OCC[N@@H+](C)[C@@H]4C3)ccc21 ZINC000328923504 416139601 /nfs/dbraw/zinc/13/96/01/416139601.db2.gz UXNZZZMOIGVTSI-CABCVRRESA-N 1 2 315.377 0.513 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3c[nH]nc3[C@@H]3CCOC3)C[C@@H]21 ZINC000328945778 416140659 /nfs/dbraw/zinc/14/06/59/416140659.db2.gz JTQLROVUVVOPIA-KWCYVHTRSA-N 1 2 320.393 0.459 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3c[nH]nc3[C@@H]3CCOC3)C[C@@H]21 ZINC000328945778 416140662 /nfs/dbraw/zinc/14/06/62/416140662.db2.gz JTQLROVUVVOPIA-KWCYVHTRSA-N 1 2 320.393 0.459 10 0 DCAELO COC(=O)[C@@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)C[C@@H](C)O1 ZINC000177728198 416151274 /nfs/dbraw/zinc/15/12/74/416151274.db2.gz JKOJPKFXNWUMBF-PWSUYJOCSA-N 1 2 303.318 0.737 10 0 DCAELO O=C(CCN1C(=O)CCC1=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177801212 416153240 /nfs/dbraw/zinc/15/32/40/416153240.db2.gz SZHVVWBEYIYUGZ-GFCCVEGCSA-N 1 2 304.350 0.413 10 0 DCAELO O=C(NC[C@H]1C[NH+]2CCN1CC2)C(=O)Nc1cc(F)ccc1F ZINC000178964993 416179239 /nfs/dbraw/zinc/17/92/39/416179239.db2.gz TWXKOBYROAHOFL-NSHDSACASA-N 1 2 324.331 0.019 10 0 DCAELO COC(=O)C1CCC(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)CC1 ZINC000180436568 416194926 /nfs/dbraw/zinc/19/49/26/416194926.db2.gz OABJXVQQDULHDU-JXQTWKCFSA-N 1 2 309.410 0.082 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N(CC2CC2)CC2CC2)C1 ZINC000358148609 416201910 /nfs/dbraw/zinc/20/19/10/416201910.db2.gz GLEWQFDMVQBNOA-CQSZACIVSA-N 1 2 309.410 0.082 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)C(=O)N(CC2CC2)CC2CC2)C1 ZINC000358148609 416201912 /nfs/dbraw/zinc/20/19/12/416201912.db2.gz GLEWQFDMVQBNOA-CQSZACIVSA-N 1 2 309.410 0.082 10 0 DCAELO CNS(=O)(=O)c1cccc(C(=O)N2CCn3c[nH+]cc3C2)c1 ZINC000358198245 416210991 /nfs/dbraw/zinc/21/09/91/416210991.db2.gz XNNKRVQTCFBURZ-UHFFFAOYSA-N 1 2 320.374 0.447 10 0 DCAELO CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)c2ccccc2OC)CC1 ZINC000183734789 416249037 /nfs/dbraw/zinc/24/90/37/416249037.db2.gz RVNQGNNYRATPCF-ZDUSSCGKSA-N 1 2 320.389 0.793 10 0 DCAELO COC(=O)Cc1cccc(C(=O)NC[C@H](C)[NH+]2CCOCC2)c1 ZINC000188194908 416263011 /nfs/dbraw/zinc/26/30/11/416263011.db2.gz LDNJFCKNZGLGNU-ZDUSSCGKSA-N 1 2 320.389 0.853 10 0 DCAELO Cc1cc(F)ccc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000190048055 416274537 /nfs/dbraw/zinc/27/45/37/416274537.db2.gz KUSPLMIOIHOGSS-LBPRGKRZSA-N 1 2 323.368 0.598 10 0 DCAELO Cc1cc(F)ccc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000190048055 416274540 /nfs/dbraw/zinc/27/45/40/416274540.db2.gz KUSPLMIOIHOGSS-LBPRGKRZSA-N 1 2 323.368 0.598 10 0 DCAELO CN1CCC[N@H+](CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1=O ZINC000191156433 416284096 /nfs/dbraw/zinc/28/40/96/416284096.db2.gz DNVWONTXZZGWEL-KBPBESRZSA-N 1 2 309.410 0.321 10 0 DCAELO CN1CCC[N@@H+](CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1=O ZINC000191156433 416284100 /nfs/dbraw/zinc/28/41/00/416284100.db2.gz DNVWONTXZZGWEL-KBPBESRZSA-N 1 2 309.410 0.321 10 0 DCAELO CC(=O)[C@@](C)(O)C[NH+]1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000331239699 416293620 /nfs/dbraw/zinc/29/36/20/416293620.db2.gz OADHOSQRVCCPFW-INIZCTEOSA-N 1 2 306.362 0.490 10 0 DCAELO CN1CCC[N@H+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CC1=O ZINC000248792101 416333896 /nfs/dbraw/zinc/33/38/96/416333896.db2.gz DNVWONTXZZGWEL-ZIAGYGMSSA-N 1 2 309.410 0.321 10 0 DCAELO CN1CCC[N@@H+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CC1=O ZINC000248792101 416333897 /nfs/dbraw/zinc/33/38/97/416333897.db2.gz DNVWONTXZZGWEL-ZIAGYGMSSA-N 1 2 309.410 0.321 10 0 DCAELO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCC12CCC2 ZINC000359688138 416353362 /nfs/dbraw/zinc/35/33/62/416353362.db2.gz NYKNHUPUYIPJIJ-CYBMUJFWSA-N 1 2 314.389 0.932 10 0 DCAELO CC(=O)c1cc(C(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)n(C)c1 ZINC000416288259 416363873 /nfs/dbraw/zinc/36/38/73/416363873.db2.gz DAVHAMBWRJQZKF-NEPJUHHUSA-N 1 2 307.394 0.755 10 0 DCAELO CC(=O)c1cc(C(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)n(C)c1 ZINC000416288259 416363875 /nfs/dbraw/zinc/36/38/75/416363875.db2.gz DAVHAMBWRJQZKF-NEPJUHHUSA-N 1 2 307.394 0.755 10 0 DCAELO COC(=O)[C@@](C)(O)CNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000360183214 416378157 /nfs/dbraw/zinc/37/81/57/416378157.db2.gz ZAVNUMXLJFNISN-QFYYESIMSA-N 1 2 323.393 0.678 10 0 DCAELO COC(=O)[C@@](C)(O)CNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000360183214 416378159 /nfs/dbraw/zinc/37/81/59/416378159.db2.gz ZAVNUMXLJFNISN-QFYYESIMSA-N 1 2 323.393 0.678 10 0 DCAELO C[N@@H+]1CCO[C@H]2CN(C(=O)NCc3ccc4cc[nH]c4n3)C[C@H]21 ZINC000360502199 416393966 /nfs/dbraw/zinc/39/39/66/416393966.db2.gz CCGHXHSEXGPXQM-KGLIPLIRSA-N 1 2 315.377 0.787 10 0 DCAELO C[N@H+]1CCO[C@H]2CN(C(=O)NCc3ccc4cc[nH]c4n3)C[C@H]21 ZINC000360502199 416393967 /nfs/dbraw/zinc/39/39/67/416393967.db2.gz CCGHXHSEXGPXQM-KGLIPLIRSA-N 1 2 315.377 0.787 10 0 DCAELO COC(=O)c1cn(C2CC[NH+](Cc3ncccn3)CC2)nn1 ZINC000361762218 416491153 /nfs/dbraw/zinc/49/11/53/416491153.db2.gz ADGQUASJDZJTOB-UHFFFAOYSA-N 1 2 302.338 0.692 10 0 DCAELO Cn1cc[nH+]c1[C@H]1CN(C(=O)NCC[C@H]2CCCO2)CCN1C ZINC000583623560 416480842 /nfs/dbraw/zinc/48/08/42/416480842.db2.gz JICSZVZWGIFBHR-ZIAGYGMSSA-N 1 2 321.425 0.987 10 0 DCAELO CC[C@@H](C)NC(=O)C[NH+]1CCN(Cc2cnnn2CC)CC1 ZINC000459281320 416531870 /nfs/dbraw/zinc/53/18/70/416531870.db2.gz CCDRMXUMFKKBGV-CYBMUJFWSA-N 1 2 308.430 0.330 10 0 DCAELO Cc1cnc(CN2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)nc1 ZINC000534809030 416508154 /nfs/dbraw/zinc/50/81/54/416508154.db2.gz OBFDHVVAUIZKRF-CYBMUJFWSA-N 1 2 303.410 0.570 10 0 DCAELO Cc1ncc(C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)c(N)n1 ZINC000546898879 416677688 /nfs/dbraw/zinc/67/76/88/416677688.db2.gz ASPFHJSEOUAABU-UHFFFAOYSA-N 1 2 313.365 0.428 10 0 DCAELO C[C@H]1CN(C(=O)NCc2cn3c([nH+]2)CCCC3)C[C@@H](C(N)=O)O1 ZINC000623554193 416842160 /nfs/dbraw/zinc/84/21/60/416842160.db2.gz VBEMOULEPDKAIW-JQWIXIFHSA-N 1 2 321.381 0.004 10 0 DCAELO CC(C)(C)OC(=O)NCCN1CC[NH2+][C@H](c2ncccn2)C1 ZINC000616634422 417087775 /nfs/dbraw/zinc/08/77/75/417087775.db2.gz SNUYEEIEZHAVBK-LBPRGKRZSA-N 1 2 307.398 0.948 10 0 DCAELO C[C@H]1C[C@@H]1CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000525233029 417130714 /nfs/dbraw/zinc/13/07/14/417130714.db2.gz WRLTUZGRTXDKPD-QWHCGFSZSA-N 1 2 307.398 0.993 10 0 DCAELO CCn1nnc(C)c1C[NH+]1CCN(C(C)(C)C(=O)OC)CC1 ZINC000449261345 417132196 /nfs/dbraw/zinc/13/21/96/417132196.db2.gz ZSKULCZXPPDDHB-UHFFFAOYSA-N 1 2 309.414 0.676 10 0 DCAELO CN(C[C@@H](O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O)C1CC1 ZINC000528777697 417389829 /nfs/dbraw/zinc/38/98/29/417389829.db2.gz BMKNNHWYBDAFDD-MCIONIFRSA-N 1 2 302.440 0.093 10 0 DCAELO CN(C[C@@H](O)C[N@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O)C1CC1 ZINC000528777697 417389834 /nfs/dbraw/zinc/38/98/34/417389834.db2.gz BMKNNHWYBDAFDD-MCIONIFRSA-N 1 2 302.440 0.093 10 0 DCAELO CN(CC1CC1)C(=O)C[N@@H+]1CCCC[C@H]1CS(C)(=O)=O ZINC000451649194 417372334 /nfs/dbraw/zinc/37/23/34/417372334.db2.gz AIFYNXWTVYJMNJ-ZDUSSCGKSA-N 1 2 302.440 0.754 10 0 DCAELO CN(CC1CC1)C(=O)C[N@H+]1CCCC[C@H]1CS(C)(=O)=O ZINC000451649194 417372341 /nfs/dbraw/zinc/37/23/41/417372341.db2.gz AIFYNXWTVYJMNJ-ZDUSSCGKSA-N 1 2 302.440 0.754 10 0 DCAELO c1snnc1C[NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000628476956 417624843 /nfs/dbraw/zinc/62/48/43/417624843.db2.gz YVCJYMLOINTESK-CQSZACIVSA-N 1 2 305.407 0.924 10 0 DCAELO CC(=O)N1CCN(C(=O)NCCCCn2cc[nH+]c2)[C@@H](C)C1 ZINC000531921347 417648805 /nfs/dbraw/zinc/64/88/05/417648805.db2.gz JLDFNCYIKKNQFO-ZDUSSCGKSA-N 1 2 307.398 0.926 10 0 DCAELO CC(=O)c1cccc(OCC(=O)NC[C@H]2COCC[N@H+]2C)c1 ZINC000628927271 417733022 /nfs/dbraw/zinc/73/30/22/417733022.db2.gz ZWDXKKMMRMZQHK-AWEZNQCLSA-N 1 2 306.362 0.715 10 0 DCAELO CC(=O)c1cccc(OCC(=O)NC[C@H]2COCC[N@@H+]2C)c1 ZINC000628927271 417733026 /nfs/dbraw/zinc/73/30/26/417733026.db2.gz ZWDXKKMMRMZQHK-AWEZNQCLSA-N 1 2 306.362 0.715 10 0 DCAELO Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000299318088 229047653 /nfs/dbraw/zinc/04/76/53/229047653.db2.gz DJBMCAMTTJFPNF-UHFFFAOYSA-N 1 2 316.361 0.755 10 0 DCAELO COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)N1CCn2cc[nH+]c2C1 ZINC000234573137 261155084 /nfs/dbraw/zinc/15/50/84/261155084.db2.gz SNODNBKQSNZXIS-QWRGUYRKSA-N 1 2 313.379 0.370 10 0 DCAELO CCN(CC)C(=O)C[NH+]1CCN([C@H](C(=O)OC)C2CC2)CC1 ZINC000358854653 261707180 /nfs/dbraw/zinc/70/71/80/261707180.db2.gz PYDIMHNMJRTELP-HNNXBMFYSA-N 1 2 311.426 0.424 10 0 DCAELO CC(C)C(=O)N[C@H](CO)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000362700986 262062865 /nfs/dbraw/zinc/06/28/65/262062865.db2.gz WXFPCUAXBAKUNT-GFCCVEGCSA-N 1 2 308.382 0.249 10 0 DCAELO Cc1occc1C(=O)N1CCO[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000370762034 271212914 /nfs/dbraw/zinc/21/29/14/271212914.db2.gz YWJNVPRVLNWXCG-AWEZNQCLSA-N 1 2 307.394 0.676 10 0 DCAELO Cc1occc1C(=O)N1CCO[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000370762035 271214151 /nfs/dbraw/zinc/21/41/51/271214151.db2.gz YWJNVPRVLNWXCG-CQSZACIVSA-N 1 2 307.394 0.676 10 0 DCAELO CC(C)CN1C[C@H]2C[N@H+](CC(=O)N(C)CC3CC3)CCN2C1=O ZINC000488747775 272050142 /nfs/dbraw/zinc/05/01/42/272050142.db2.gz JTMJYCAEYQQRBX-OAHLLOKOSA-N 1 2 322.453 0.933 10 0 DCAELO CC(C)CN1C[C@H]2C[N@@H+](CC(=O)N(C)CC3CC3)CCN2C1=O ZINC000488747775 272050143 /nfs/dbraw/zinc/05/01/43/272050143.db2.gz JTMJYCAEYQQRBX-OAHLLOKOSA-N 1 2 322.453 0.933 10 0 DCAELO COC(=O)C(C)(C)N1CC[NH+]([C@@H]2CCN(C3CC3)C2=O)CC1 ZINC000494385101 272220660 /nfs/dbraw/zinc/22/06/60/272220660.db2.gz JLAQZUYCZHTYNL-CYBMUJFWSA-N 1 2 309.410 0.319 10 0 DCAELO COC(=O)C(C)(C)N1CC[NH+]([C@H](C)C(=O)N(C)C(C)C)CC1 ZINC000494395049 272220724 /nfs/dbraw/zinc/22/07/24/272220724.db2.gz TVJSIKRRGCCQSO-CYBMUJFWSA-N 1 2 313.442 0.811 10 0 DCAELO O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N(CCO)CC(F)F ZINC000519575884 272504629 /nfs/dbraw/zinc/50/46/29/272504629.db2.gz SWHPUCPNMVSKDL-UHFFFAOYSA-N 1 2 312.276 0.359 10 0 DCAELO C[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1[NH+]1CCOCC1 ZINC000329574609 287984726 /nfs/dbraw/zinc/98/47/26/287984726.db2.gz NVGJRVMHMSELSN-LYYZXLFJSA-N 1 2 324.421 0.217 10 0 DCAELO CC(=O)N1CCC[C@](O)(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000408050728 278031169 /nfs/dbraw/zinc/03/11/69/278031169.db2.gz KZIVYFPTHAXTLQ-MRXNPFEDSA-N 1 2 320.393 0.489 10 0 DCAELO C[C@@](O)(Cn1ccccc1=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000548060916 288107461 /nfs/dbraw/zinc/10/74/61/288107461.db2.gz JWJDSIKMNFIKSS-MRXNPFEDSA-N 1 2 318.377 0.392 10 0 DCAELO CC[C@@H]1CN(C(=O)c2ncc(OC)cn2)C[C@@H]1[NH+]1CCOCC1 ZINC000556393096 288376357 /nfs/dbraw/zinc/37/63/57/288376357.db2.gz CDGUFNVBGPDBEW-OCCSQVGLSA-N 1 2 320.393 0.668 10 0 DCAELO COCC1(NC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CCC1 ZINC000560216635 288487582 /nfs/dbraw/zinc/48/75/82/288487582.db2.gz ZUCJAYJBQCEMCM-UHFFFAOYSA-N 1 2 302.334 0.958 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(S(=O)(=O)N3CCCCCC3)C[C@H]21 ZINC000328841458 290114636 /nfs/dbraw/zinc/11/46/36/290114636.db2.gz PMFUTNIKJDYEDC-KGLIPLIRSA-N 1 2 317.455 0.512 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(S(=O)(=O)N3CCCCCC3)C[C@H]21 ZINC000328841458 290114638 /nfs/dbraw/zinc/11/46/38/290114638.db2.gz PMFUTNIKJDYEDC-KGLIPLIRSA-N 1 2 317.455 0.512 10 0 DCAELO Cn1cc(N2CCC[C@H]([N@@H+]3CCc4cncnc4C3)C2=O)cn1 ZINC000329626261 294247645 /nfs/dbraw/zinc/24/76/45/294247645.db2.gz TWMQCRCEYPILAV-HNNXBMFYSA-N 1 2 312.377 0.764 10 0 DCAELO Cn1cc(N2CCC[C@H]([N@H+]3CCc4cncnc4C3)C2=O)cn1 ZINC000329626261 294247647 /nfs/dbraw/zinc/24/76/47/294247647.db2.gz TWMQCRCEYPILAV-HNNXBMFYSA-N 1 2 312.377 0.764 10 0 DCAELO NC(=O)N[C@@H]1CC[N@@H+]([C@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000408024687 295085631 /nfs/dbraw/zinc/08/56/31/295085631.db2.gz FZWOIDMYARNXQI-BDAKNGLRSA-N 1 2 308.304 0.282 10 0 DCAELO NC(=O)N[C@@H]1CC[N@H+]([C@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000408024687 295085633 /nfs/dbraw/zinc/08/56/33/295085633.db2.gz FZWOIDMYARNXQI-BDAKNGLRSA-N 1 2 308.304 0.282 10 0 DCAELO C[C@H](C(=O)N1CCS(=O)(=O)[C@@H](C)C1)[NH+]1CCCCCC1 ZINC000174027666 298067480 /nfs/dbraw/zinc/06/74/80/298067480.db2.gz JBHBZKJEYPHXRY-QWHCGFSZSA-N 1 2 302.440 0.896 10 0 DCAELO Cc1cc(NC(=O)[C@H](C)N2CC[C@@H]([NH+]3CCOCC3)C2)on1 ZINC000247254704 301359213 /nfs/dbraw/zinc/35/92/13/301359213.db2.gz ZFICJHULVKQHDH-QWHCGFSZSA-N 1 2 308.382 0.717 10 0 DCAELO Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](N3CCOCC3)C2)on1 ZINC000247254704 301359215 /nfs/dbraw/zinc/35/92/15/301359215.db2.gz ZFICJHULVKQHDH-QWHCGFSZSA-N 1 2 308.382 0.717 10 0 DCAELO Cc1cc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](N3CCOCC3)C2)on1 ZINC000247254704 301359217 /nfs/dbraw/zinc/35/92/17/301359217.db2.gz ZFICJHULVKQHDH-QWHCGFSZSA-N 1 2 308.382 0.717 10 0 DCAELO O=C(CN1CC[NH+]([C@H]2CCCCNC2=O)CC1)N1CCCCC1 ZINC000022810615 303613285 /nfs/dbraw/zinc/61/32/85/303613285.db2.gz PWKSGHFSYQVIDZ-HNNXBMFYSA-N 1 2 322.453 0.285 10 0 DCAELO Cn1cc(OCC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cn1 ZINC000580098072 332938306 /nfs/dbraw/zinc/93/83/06/332938306.db2.gz ZXSSUOVPPASGHR-CYBMUJFWSA-N 1 2 302.334 0.874 10 0 DCAELO C[C@@H]1C(=O)NCCC[N@H+]1Cc1cnc(N2CCOCC2)s1 ZINC000189083220 333062961 /nfs/dbraw/zinc/06/29/61/333062961.db2.gz OJAULZHALWMSOW-LLVKDONJSA-N 1 2 310.423 0.690 10 0 DCAELO C[C@@H]1C(=O)NCCC[N@@H+]1Cc1cnc(N2CCOCC2)s1 ZINC000189083220 333062963 /nfs/dbraw/zinc/06/29/63/333062963.db2.gz OJAULZHALWMSOW-LLVKDONJSA-N 1 2 310.423 0.690 10 0 DCAELO CC(C)N1CC[C@H]([N@@H+]2CCO[C@@](C)(c3cnn(C)c3)C2)C1=O ZINC000159312286 519689168 /nfs/dbraw/zinc/68/91/68/519689168.db2.gz PHDKYLOCBJDODT-GOEBONIOSA-N 1 2 306.410 0.977 10 0 DCAELO CC(C)N1CC[C@H]([N@H+]2CCO[C@@](C)(c3cnn(C)c3)C2)C1=O ZINC000159312286 519689170 /nfs/dbraw/zinc/68/91/70/519689170.db2.gz PHDKYLOCBJDODT-GOEBONIOSA-N 1 2 306.410 0.977 10 0 DCAELO COC[C@H](O)CN1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000126683739 522785717 /nfs/dbraw/zinc/78/57/17/522785717.db2.gz LIUBBBGVZKRFPI-HZPDHXFCSA-N 1 2 324.421 0.051 10 0 DCAELO CCn1cc([C@H]2C[N@H+](CCCC(=O)NC(N)=O)CCO2)cn1 ZINC000190802590 523482434 /nfs/dbraw/zinc/48/24/34/523482434.db2.gz MWNWQUHMKWYAPY-GFCCVEGCSA-N 1 2 309.370 0.251 10 0 DCAELO CCn1cc([C@H]2C[N@@H+](CCCC(=O)NC(N)=O)CCO2)cn1 ZINC000190802590 523482444 /nfs/dbraw/zinc/48/24/44/523482444.db2.gz MWNWQUHMKWYAPY-GFCCVEGCSA-N 1 2 309.370 0.251 10 0 DCAELO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ncccn2)C[C@H]1C ZINC000249063559 523718189 /nfs/dbraw/zinc/71/81/89/523718189.db2.gz JUJICQMXXNTSGG-GRYCIOLGSA-N 1 2 306.366 0.935 10 0 DCAELO COC(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ncccn2)C[C@H]1C ZINC000249063559 523718194 /nfs/dbraw/zinc/71/81/94/523718194.db2.gz JUJICQMXXNTSGG-GRYCIOLGSA-N 1 2 306.366 0.935 10 0 DCAELO CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000248878630 523811238 /nfs/dbraw/zinc/81/12/38/523811238.db2.gz ORUSGYFYPDXNEK-GHMZBOCLSA-N 1 2 306.428 0.730 10 0 DCAELO CC[C@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000248878630 523811241 /nfs/dbraw/zinc/81/12/41/523811241.db2.gz ORUSGYFYPDXNEK-GHMZBOCLSA-N 1 2 306.428 0.730 10 0 DCAELO COC(=O)[C@H](C)N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC000105915230 523879558 /nfs/dbraw/zinc/87/95/58/523879558.db2.gz VASPOCIDCYQLPX-LSDHHAIUSA-N 1 2 313.442 0.275 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(OCC(F)F)nc2)C1 ZINC000129409696 523948758 /nfs/dbraw/zinc/94/87/58/523948758.db2.gz ZFHSHWDJGWGNOC-LLVKDONJSA-N 1 2 315.320 0.786 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)c2ccc(OCC(F)F)nc2)C1 ZINC000129409696 523948765 /nfs/dbraw/zinc/94/87/65/523948765.db2.gz ZFHSHWDJGWGNOC-LLVKDONJSA-N 1 2 315.320 0.786 10 0 DCAELO Cc1cccc(CS(=O)(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1 ZINC000249193644 524453673 /nfs/dbraw/zinc/45/36/73/524453673.db2.gz AYZNJNAQWOCDDC-AWEZNQCLSA-N 1 2 312.435 0.823 10 0 DCAELO Cc1cccc(CS(=O)(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1 ZINC000249193644 524453685 /nfs/dbraw/zinc/45/36/85/524453685.db2.gz AYZNJNAQWOCDDC-AWEZNQCLSA-N 1 2 312.435 0.823 10 0 DCAELO Cc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000246421166 525159692 /nfs/dbraw/zinc/15/96/92/525159692.db2.gz JVBPRFWSTPBBOB-UMVBOHGHSA-N 1 2 319.405 0.574 10 0 DCAELO Cc1ccccc1CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000246421166 525159700 /nfs/dbraw/zinc/15/97/00/525159700.db2.gz JVBPRFWSTPBBOB-UMVBOHGHSA-N 1 2 319.405 0.574 10 0 DCAELO CC(=O)N1CC[NH+](CCNC(=O)[C@H](C)c2ncccc2F)CC1 ZINC000330941895 526625933 /nfs/dbraw/zinc/62/59/33/526625933.db2.gz DLHIGNQZZHZAIM-GFCCVEGCSA-N 1 2 322.384 0.605 10 0 DCAELO CCCCOCCNC(=O)C[N@@H+]1CCC[C@]1(C)C(=O)OC ZINC000186357459 528596828 /nfs/dbraw/zinc/59/68/28/528596828.db2.gz VXUKFDWWDIDVED-OAHLLOKOSA-N 1 2 300.399 0.947 10 0 DCAELO CCCCOCCNC(=O)C[N@H+]1CCC[C@]1(C)C(=O)OC ZINC000186357459 528596832 /nfs/dbraw/zinc/59/68/32/528596832.db2.gz VXUKFDWWDIDVED-OAHLLOKOSA-N 1 2 300.399 0.947 10 0 DCAELO O=C(C[NH+]1CCN(Cc2cncnc2)CC1)N1CCCCCC1 ZINC000121665874 545750497 /nfs/dbraw/zinc/75/04/97/545750497.db2.gz ZAMJOJXQSPNTOU-UHFFFAOYSA-N 1 2 317.437 0.997 10 0 DCAELO Cc1cc(N2CC[NH+](Cc3ccnn3C)CC2)n2ncnc2n1 ZINC000133945327 545799646 /nfs/dbraw/zinc/79/96/46/545799646.db2.gz IGZSGAPLWZWQFX-UHFFFAOYSA-N 1 2 312.381 0.488 10 0 DCAELO Cc1nc(S(=O)(=O)N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)cn1C ZINC000329629247 546053056 /nfs/dbraw/zinc/05/30/56/546053056.db2.gz HLHBSKVHYNESJL-YPMHNXCESA-N 1 2 312.439 0.976 10 0 DCAELO Cc1nc(S(=O)(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)cn1C ZINC000329629247 546053058 /nfs/dbraw/zinc/05/30/58/546053058.db2.gz HLHBSKVHYNESJL-YPMHNXCESA-N 1 2 312.439 0.976 10 0 DCAELO O=C(N[C@@H]1CCCn2ncnc21)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000333113608 546071707 /nfs/dbraw/zinc/07/17/07/546071707.db2.gz YCJBRDVVTCIGQU-QWHCGFSZSA-N 1 2 320.397 0.229 10 0 DCAELO [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000004533517 571686264 /nfs/dbraw/zinc/68/62/64/571686264.db2.gz XMAUFHMAAVTODF-CHWSQXEVSA-N 1 2 302.334 0.092 10 0 endogenous,in-man DCAELO CC(=O)N(C)C1CC[NH+](CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)CC1 ZINC000128762012 661006688 /nfs/dbraw/zinc/00/66/88/661006688.db2.gz UBCBRSPFHYSJNG-HUUCEWRRSA-N 1 2 319.405 0.838 10 0 DCAELO CCCCNC(=O)[C@@H]1CCC[N@H+](Cn2cc(C(=O)OC)nn2)C1 ZINC000050901486 658500990 /nfs/dbraw/zinc/50/09/90/658500990.db2.gz DWYKNVJLUYYMCN-GFCCVEGCSA-N 1 2 323.397 0.651 10 0 DCAELO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cn2cc(C(=O)OC)nn2)C1 ZINC000050901486 658500999 /nfs/dbraw/zinc/50/09/99/658500999.db2.gz DWYKNVJLUYYMCN-GFCCVEGCSA-N 1 2 323.397 0.651 10 0 DCAELO CCCn1cc(NC(=O)NC[C@@H](O)C[NH+]2CCOCC2)cn1 ZINC000092926873 659586988 /nfs/dbraw/zinc/58/69/88/659586988.db2.gz VUWUPLQZCBXYGA-CYBMUJFWSA-N 1 2 311.386 0.108 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CSC(c3ccccc3)=N2)C1 ZINC000900439843 663244685 /nfs/dbraw/zinc/24/46/85/663244685.db2.gz SKWQPCNXFAVEPD-KGLIPLIRSA-N 1 2 319.430 0.995 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CSC(c3ccccc3)=N2)C1 ZINC000900439843 663244687 /nfs/dbraw/zinc/24/46/87/663244687.db2.gz SKWQPCNXFAVEPD-KGLIPLIRSA-N 1 2 319.430 0.995 10 0 DCAELO Cc1cc2c(nc(N3CCOCC3)[nH+]c2N2CCOCC2)[nH]1 ZINC000223943850 664427834 /nfs/dbraw/zinc/42/78/34/664427834.db2.gz MSMCLQVDTBBKOX-UHFFFAOYSA-N 1 2 303.366 0.940 10 0 DCAELO Cc1nc2c(c(N[C@@H]3CCS(=O)(=O)C3)[nH+]1)NC(=O)[C@H](C)N2 ZINC000224020464 664428656 /nfs/dbraw/zinc/42/86/56/664428656.db2.gz GCCYLPXTXGAWPW-POYBYMJQSA-N 1 2 311.367 0.137 10 0 DCAELO C[C@@H]1C[C@@H]1CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731682187 664876996 /nfs/dbraw/zinc/87/69/96/664876996.db2.gz HKYOENFVWXADJW-VXGBXAGGSA-N 1 2 317.455 0.451 10 0 DCAELO CC[S@@](=O)CCNC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000735090358 666949627 /nfs/dbraw/zinc/94/96/27/666949627.db2.gz PSVSFVPURYTUAI-YEJXKQKISA-N 1 2 319.471 0.411 10 0 DCAELO CC(=O)N1CSC[C@@H]1C(=O)NCCCNc1cccc[nH+]1 ZINC000136172661 667701494 /nfs/dbraw/zinc/70/14/94/667701494.db2.gz CWDXVHNCEYBXKN-GFCCVEGCSA-N 1 2 308.407 0.921 10 0 DCAELO CN1C[C@@H](Nc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)CCC1=O ZINC000246714333 529821615 /nfs/dbraw/zinc/82/16/15/529821615.db2.gz UAHWZKKMVRMZDT-OLZOCXBDSA-N 1 2 319.409 0.718 10 0 DCAELO CN1C[C@@H](Nc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CCC1=O ZINC000246714333 529821617 /nfs/dbraw/zinc/82/16/17/529821617.db2.gz UAHWZKKMVRMZDT-OLZOCXBDSA-N 1 2 319.409 0.718 10 0 DCAELO C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)Nc2ccsc2)CCO1 ZINC000275877772 529852473 /nfs/dbraw/zinc/85/24/73/529852473.db2.gz GUIXNLXMZSDNQR-NSHDSACASA-N 1 2 312.395 0.398 10 0 DCAELO C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)Nc2ccsc2)CCO1 ZINC000275877772 529852474 /nfs/dbraw/zinc/85/24/74/529852474.db2.gz GUIXNLXMZSDNQR-NSHDSACASA-N 1 2 312.395 0.398 10 0 DCAELO O=C(NCc1ccc(F)cc1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000173291230 186172873 /nfs/dbraw/zinc/17/28/73/186172873.db2.gz PDQVZGHMYBQBNX-UHFFFAOYSA-N 1 2 305.353 0.749 10 0 DCAELO Nc1[nH+]cnc2c1c(Br)cn2COC(CO)CO ZINC000000003901 180668174 /nfs/dbraw/zinc/66/81/74/180668174.db2.gz QTMAZYGAVHCKKX-UHFFFAOYSA-N 1 2 317.143 0.103 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2ccon2)nc[nH+]1 ZINC000173410883 198212369 /nfs/dbraw/zinc/21/23/69/198212369.db2.gz HPRBROOMUFBEAY-JTQLQIEISA-N 1 2 302.338 0.905 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2ccon2)[nH+]cn1 ZINC000173410883 198212372 /nfs/dbraw/zinc/21/23/72/198212372.db2.gz HPRBROOMUFBEAY-JTQLQIEISA-N 1 2 302.338 0.905 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)Cn2cccn2)nc[nH+]1 ZINC000173439534 198214636 /nfs/dbraw/zinc/21/46/36/198214636.db2.gz JWSKHKQJNLUFBW-LBPRGKRZSA-N 1 2 315.381 0.500 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)Cn2cccn2)[nH+]cn1 ZINC000173439534 198214638 /nfs/dbraw/zinc/21/46/38/198214638.db2.gz JWSKHKQJNLUFBW-LBPRGKRZSA-N 1 2 315.381 0.500 10 0 DCAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)Cc2cc[nH]n2)CC1 ZINC000173616083 198232316 /nfs/dbraw/zinc/23/23/16/198232316.db2.gz CTOPRUVLPIKMJT-UHFFFAOYSA-N 1 2 316.409 0.647 10 0 DCAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)Cc2ccn[nH]2)CC1 ZINC000173616083 198232318 /nfs/dbraw/zinc/23/23/18/198232318.db2.gz CTOPRUVLPIKMJT-UHFFFAOYSA-N 1 2 316.409 0.647 10 0 DCAELO C[C@H]1CN(C(=O)c2ccc(N(C)C)nc2)C[C@H]1[NH+]1CCOCC1 ZINC000173855049 198260924 /nfs/dbraw/zinc/26/09/24/198260924.db2.gz WCHKOZKFHGPVKA-DZGCQCFKSA-N 1 2 318.421 0.940 10 0 DCAELO C[C@H](NC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]12)[C@H](C)[NH+]1CCOCC1 ZINC000332840909 299218118 /nfs/dbraw/zinc/21/81/18/299218118.db2.gz ASNJYXSPDPDUQG-BTFPBAQTSA-N 1 2 312.410 0.263 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnn4c3CCCC4)C[C@@H]21 ZINC000328871516 283029415 /nfs/dbraw/zinc/02/94/15/283029415.db2.gz DNIJWVXNQPPSNB-GJZGRUSLSA-N 1 2 304.394 0.765 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)c3cnn4c3CCCC4)C[C@@H]21 ZINC000328871516 283029417 /nfs/dbraw/zinc/02/94/17/283029417.db2.gz DNIJWVXNQPPSNB-GJZGRUSLSA-N 1 2 304.394 0.765 10 0 DCAELO C[N@@H+]1CCO[C@H]2CN(C(=O)c3cc(-c4ccco4)n[nH]3)C[C@H]21 ZINC000408294476 283033501 /nfs/dbraw/zinc/03/35/01/283033501.db2.gz MYGSXEHUPOAQOX-OCCSQVGLSA-N 1 2 302.334 0.825 10 0 DCAELO C[N@H+]1CCO[C@H]2CN(C(=O)c3cc(-c4ccco4)n[nH]3)C[C@H]21 ZINC000408294476 283033502 /nfs/dbraw/zinc/03/35/02/283033502.db2.gz MYGSXEHUPOAQOX-OCCSQVGLSA-N 1 2 302.334 0.825 10 0 DCAELO C[C@H]1CN(C(=O)C(=O)Nc2cccnc2)C[C@@H]1[NH+]1CCOCC1 ZINC000180255386 199137390 /nfs/dbraw/zinc/13/73/90/199137390.db2.gz WOIHLYWNEMMRII-JSGCOSHPSA-N 1 2 318.377 0.199 10 0 DCAELO C[C@H]([C@H](C)NC(=O)NCc1cc(C(N)=O)co1)[NH+]1CCOCC1 ZINC000187033203 237340136 /nfs/dbraw/zinc/34/01/36/237340136.db2.gz DBDKAJZEXHXXKZ-WDEREUQCSA-N 1 2 324.381 0.287 10 0 DCAELO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cn2ccnc2s1 ZINC000188734128 200296473 /nfs/dbraw/zinc/29/64/73/200296473.db2.gz XUACJTHRDOXBJE-LLVKDONJSA-N 1 2 324.406 0.161 10 0 DCAELO NC(=O)c1ccc(Cl)cc1OC[C@H](O)C[NH+]1CCOCC1 ZINC000154625025 291214763 /nfs/dbraw/zinc/21/47/63/291214763.db2.gz JUWSODHSERSCJD-LLVKDONJSA-N 1 2 314.769 0.511 10 0 DCAELO Cn1cc[nH+]c1[C@H]1CN(C(=O)COC[C@H]2CCCO2)CCN1C ZINC000328616996 291259619 /nfs/dbraw/zinc/25/96/19/291259619.db2.gz CGFGZRXZBHAYAM-ZIAGYGMSSA-N 1 2 322.409 0.431 10 0 DCAELO CCNC(=O)c1ccc(NC(=O)NC[C@H]2C[N@H+](C)CCO2)cc1 ZINC000105282059 194093109 /nfs/dbraw/zinc/09/31/09/194093109.db2.gz PRAOQAQPUBXPSJ-AWEZNQCLSA-N 1 2 320.393 0.888 10 0 DCAELO CCNC(=O)c1ccc(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000105282059 194093112 /nfs/dbraw/zinc/09/31/12/194093112.db2.gz PRAOQAQPUBXPSJ-AWEZNQCLSA-N 1 2 320.393 0.888 10 0 DCAELO CNC(=O)NC(=O)[C@H](C)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000106372112 194202520 /nfs/dbraw/zinc/20/25/20/194202520.db2.gz RPFNTNUHKJLVTM-JTQLQIEISA-N 1 2 307.398 0.746 10 0 DCAELO C[C@@H]1CCCCN1S(=O)(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000329725127 296318330 /nfs/dbraw/zinc/31/83/30/296318330.db2.gz DKEKTLRUCYPOPM-TZMCWYRMSA-N 1 2 317.455 0.558 10 0 DCAELO C[C@@H]1CCCCN1S(=O)(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000329725127 296318331 /nfs/dbraw/zinc/31/83/31/296318331.db2.gz DKEKTLRUCYPOPM-TZMCWYRMSA-N 1 2 317.455 0.558 10 0 DCAELO CNC(=O)[C@@H]1C[C@H]2C[N@H+](Cc3cccnc3OC)C[C@H]2N1C ZINC000248036642 257110852 /nfs/dbraw/zinc/11/08/52/257110852.db2.gz MWEQGVJGLZTBJI-MELADBBJSA-N 1 2 304.394 0.341 10 0 DCAELO CNC(=O)[C@@H]1C[C@H]2C[N@@H+](Cc3cccnc3OC)C[C@H]2N1C ZINC000248036642 257110853 /nfs/dbraw/zinc/11/08/53/257110853.db2.gz MWEQGVJGLZTBJI-MELADBBJSA-N 1 2 304.394 0.341 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)CNC(=O)c3cccs3)C[C@H]21 ZINC000283958033 131036557 /nfs/dbraw/zinc/03/65/57/131036557.db2.gz GIHKTYVWNFEMRD-VXGBXAGGSA-N 1 2 323.418 0.409 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)CNC(=O)c3cccs3)C[C@H]21 ZINC000283958033 131036559 /nfs/dbraw/zinc/03/65/59/131036559.db2.gz GIHKTYVWNFEMRD-VXGBXAGGSA-N 1 2 323.418 0.409 10 0 DCAELO C[C@H](Oc1cccnc1)C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000283966532 131037189 /nfs/dbraw/zinc/03/71/89/131037189.db2.gz GSATWYODYUXCSE-QEJZJMRPSA-N 1 2 305.378 0.780 10 0 DCAELO C[C@H](Oc1cccnc1)C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000283966532 131037190 /nfs/dbraw/zinc/03/71/90/131037190.db2.gz GSATWYODYUXCSE-QEJZJMRPSA-N 1 2 305.378 0.780 10 0 DCAELO Cn1cc(CCNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)cn1 ZINC000284082884 131046388 /nfs/dbraw/zinc/04/63/88/131046388.db2.gz RFPNYBCJHCKZKM-KBPBESRZSA-N 1 2 307.398 0.077 10 0 DCAELO Cn1cc(CCNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)cn1 ZINC000284082884 131046390 /nfs/dbraw/zinc/04/63/90/131046390.db2.gz RFPNYBCJHCKZKM-KBPBESRZSA-N 1 2 307.398 0.077 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)CCNC(=O)c3ccco3)C[C@@H]21 ZINC000284278621 131066286 /nfs/dbraw/zinc/06/62/86/131066286.db2.gz YRUQUDFBLHBILP-STQMWFEESA-N 1 2 321.377 0.331 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)CCNC(=O)c3ccco3)C[C@@H]21 ZINC000284278621 131066287 /nfs/dbraw/zinc/06/62/87/131066287.db2.gz YRUQUDFBLHBILP-STQMWFEESA-N 1 2 321.377 0.331 10 0 DCAELO CCc1nn(C)cc1NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000284851185 131116240 /nfs/dbraw/zinc/11/62/40/131116240.db2.gz QJBQGEMJNUCEOV-ZIAGYGMSSA-N 1 2 307.398 0.919 10 0 DCAELO CCc1nn(C)cc1NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000284851185 131116241 /nfs/dbraw/zinc/11/62/41/131116241.db2.gz QJBQGEMJNUCEOV-ZIAGYGMSSA-N 1 2 307.398 0.919 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)NCCc3nccs3)C[C@@H]21 ZINC000285494508 131173835 /nfs/dbraw/zinc/17/38/35/131173835.db2.gz RJXSDUFKNZBJHM-RYUDHWBXSA-N 1 2 310.423 0.800 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)NCCc3nccs3)C[C@@H]21 ZINC000285494508 131173837 /nfs/dbraw/zinc/17/38/37/131173837.db2.gz RJXSDUFKNZBJHM-RYUDHWBXSA-N 1 2 310.423 0.800 10 0 DCAELO CC(C)CC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000043618743 395754029 /nfs/dbraw/zinc/75/40/29/395754029.db2.gz VVPYLBHOYCJTAJ-CQSZACIVSA-N 1 2 311.426 0.424 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000194625220 395802677 /nfs/dbraw/zinc/80/26/77/395802677.db2.gz POZUZSZUTPEWKU-CYBMUJFWSA-N 1 2 303.362 0.632 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000194625220 395802681 /nfs/dbraw/zinc/80/26/81/395802681.db2.gz POZUZSZUTPEWKU-CYBMUJFWSA-N 1 2 303.362 0.632 10 0 DCAELO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000111268466 395804471 /nfs/dbraw/zinc/80/44/71/395804471.db2.gz HMLWKSCRARMPEE-RKDXNWHRSA-N 1 2 306.391 0.799 10 0 DCAELO COc1cccc2c1OCC(C(=O)NC[C@H]1C[N@H+](C)CCO1)=C2 ZINC000194844813 395809185 /nfs/dbraw/zinc/80/91/85/395809185.db2.gz PIEJZAWQNPGMJR-AWEZNQCLSA-N 1 2 318.373 0.918 10 0 DCAELO COc1cccc2c1OCC(C(=O)NC[C@H]1C[N@@H+](C)CCO1)=C2 ZINC000194844813 395809187 /nfs/dbraw/zinc/80/91/87/395809187.db2.gz PIEJZAWQNPGMJR-AWEZNQCLSA-N 1 2 318.373 0.918 10 0 DCAELO O=C(C[NH+]1CCC(c2cc[nH]n2)CC1)NCC(=O)N1CCCC1 ZINC000195505099 395829772 /nfs/dbraw/zinc/82/97/72/395829772.db2.gz JAGFHQDYOKYPLN-UHFFFAOYSA-N 1 2 319.409 0.328 10 0 DCAELO CC(=O)N[C@H](CC(=O)NC[C@@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000194633207 395802182 /nfs/dbraw/zinc/80/21/82/395802182.db2.gz WLCBRBFWYWMKJP-HZPDHXFCSA-N 1 2 319.405 0.701 10 0 DCAELO CC(=O)N[C@H](CC(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000194633207 395802183 /nfs/dbraw/zinc/80/21/83/395802183.db2.gz WLCBRBFWYWMKJP-HZPDHXFCSA-N 1 2 319.405 0.701 10 0 DCAELO Cn1nc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)ccc1=O ZINC000110957820 395802400 /nfs/dbraw/zinc/80/24/00/395802400.db2.gz RNSJPDGFFOQUJZ-CYBMUJFWSA-N 1 2 320.393 0.107 10 0 DCAELO COC(=O)c1c(C)[nH]c(C(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c1C ZINC000124196033 395900009 /nfs/dbraw/zinc/90/00/09/395900009.db2.gz IOUFUZAOEVGIJU-NWDGAFQWSA-N 1 2 321.377 0.573 10 0 DCAELO COC(=O)c1c(C)[nH]c(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c1C ZINC000124196033 395900011 /nfs/dbraw/zinc/90/00/11/395900011.db2.gz IOUFUZAOEVGIJU-NWDGAFQWSA-N 1 2 321.377 0.573 10 0 DCAELO Cc1nnnn1-c1cc(NC(=O)[C@H]2COCC[NH2+]2)ccc1F ZINC000237580517 395916120 /nfs/dbraw/zinc/91/61/20/395916120.db2.gz IREVWOMYHYUGCH-LLVKDONJSA-N 1 2 306.301 0.037 10 0 DCAELO O=C(N[C@@H]1CCCN(c2ccccc2)C1=O)[C@H]1COCC[NH2+]1 ZINC000238132621 395922151 /nfs/dbraw/zinc/92/21/51/395922151.db2.gz ARJIFGZHEOLPBD-ZIAGYGMSSA-N 1 2 303.362 0.287 10 0 DCAELO Cc1nnc([C@H]2C[N@H+](C[C@H]3CC4(CCC4)C(=O)O3)CCO2)[nH]1 ZINC000248833244 395998409 /nfs/dbraw/zinc/99/84/09/395998409.db2.gz IXRJUZBCGAJFOO-VXGBXAGGSA-N 1 2 306.366 0.972 10 0 DCAELO Cc1nnc([C@H]2C[N@@H+](C[C@H]3CC4(CCC4)C(=O)O3)CCO2)[nH]1 ZINC000248833244 395998413 /nfs/dbraw/zinc/99/84/13/395998413.db2.gz IXRJUZBCGAJFOO-VXGBXAGGSA-N 1 2 306.366 0.972 10 0 DCAELO Cc1cnn(C[C@@H]2CN([C@H](C)C[NH+]3CCOCC3)CCO2)c1 ZINC000245940097 395939114 /nfs/dbraw/zinc/93/91/14/395939114.db2.gz APHLYPZJHIQQIM-CVEARBPZSA-N 1 2 308.426 0.613 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2cccs2)C[C@H]1C ZINC000246100865 395941440 /nfs/dbraw/zinc/94/14/40/395941440.db2.gz MEDBJLVUWSWRLY-MNOVXSKESA-N 1 2 304.437 0.824 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2cccs2)C[C@H]1C ZINC000246100865 395941442 /nfs/dbraw/zinc/94/14/42/395941442.db2.gz MEDBJLVUWSWRLY-MNOVXSKESA-N 1 2 304.437 0.824 10 0 DCAELO C[C@@H]1C[N@H+](CC(=O)N(C)[C@H]2CCCC[C@H]2C)C[C@H](C(N)=O)O1 ZINC000246486489 395951436 /nfs/dbraw/zinc/95/14/36/395951436.db2.gz NMLDNOZIRSHLRX-YIYPIFLZSA-N 1 2 311.426 0.598 10 0 DCAELO C[C@@H]1C[N@@H+](CC(=O)N(C)[C@H]2CCCC[C@H]2C)C[C@H](C(N)=O)O1 ZINC000246486489 395951438 /nfs/dbraw/zinc/95/14/38/395951438.db2.gz NMLDNOZIRSHLRX-YIYPIFLZSA-N 1 2 311.426 0.598 10 0 DCAELO CCOCC[N@@H+]1CCN(S(=O)(=O)[C@@H](C)COC)C[C@H]1C ZINC000246629679 395954321 /nfs/dbraw/zinc/95/43/21/395954321.db2.gz CMTPXZZCAHHKHB-OLZOCXBDSA-N 1 2 308.444 0.394 10 0 DCAELO CCOCC[N@H+]1CCN(S(=O)(=O)[C@@H](C)COC)C[C@H]1C ZINC000246629679 395954323 /nfs/dbraw/zinc/95/43/23/395954323.db2.gz CMTPXZZCAHHKHB-OLZOCXBDSA-N 1 2 308.444 0.394 10 0 DCAELO CC(C)(C)NC(=O)CN1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000060941531 395965878 /nfs/dbraw/zinc/96/58/78/395965878.db2.gz JBCUKIOIGAHAQB-UHFFFAOYSA-N 1 2 324.469 0.531 10 0 DCAELO COc1cc(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)nn1C ZINC000274708516 395969400 /nfs/dbraw/zinc/96/94/00/395969400.db2.gz SQUWAXCBGLDZCP-WCQYABFASA-N 1 2 308.382 0.221 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)Nc2ccc(C(N)=O)c(F)c2)C1 ZINC000150858144 395974305 /nfs/dbraw/zinc/97/43/05/395974305.db2.gz POFYNNMIVOGWQX-JTQLQIEISA-N 1 2 310.329 0.377 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)Nc2ccc(C(N)=O)c(F)c2)C1 ZINC000150858144 395974308 /nfs/dbraw/zinc/97/43/08/395974308.db2.gz POFYNNMIVOGWQX-JTQLQIEISA-N 1 2 310.329 0.377 10 0 DCAELO CCC(=O)N1CC[C@H](C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000151228477 395982364 /nfs/dbraw/zinc/98/23/64/395982364.db2.gz FUZLWXWOMOVEBK-KBPBESRZSA-N 1 2 309.410 0.178 10 0 DCAELO C[C@@H]1OCC[C@H]1NC(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC000275523438 395984994 /nfs/dbraw/zinc/98/49/94/395984994.db2.gz CIKGBYSBEQSYRR-BFHYXJOUSA-N 1 2 319.409 0.870 10 0 DCAELO C[C@@H]1OCC[C@H]1NC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000275523438 395984999 /nfs/dbraw/zinc/98/49/99/395984999.db2.gz CIKGBYSBEQSYRR-BFHYXJOUSA-N 1 2 319.409 0.870 10 0 DCAELO CC(C)[C@@H]1C[C@H]1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000248504483 395989120 /nfs/dbraw/zinc/98/91/20/395989120.db2.gz VPUKEPABRGNLIO-SOUVJXGZSA-N 1 2 323.437 0.328 10 0 DCAELO CCS(=O)(=O)CCCCCN1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000249073992 396002039 /nfs/dbraw/zinc/00/20/39/396002039.db2.gz LMAUSOPPAZKZBE-CABCVRRESA-N 1 2 320.499 0.978 10 0 DCAELO CCS(=O)(=O)CCCCCN1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000249073992 396002043 /nfs/dbraw/zinc/00/20/43/396002043.db2.gz LMAUSOPPAZKZBE-CABCVRRESA-N 1 2 320.499 0.978 10 0 DCAELO CCS(=O)(=O)CCCCC[N@@H+]1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000249073992 396002045 /nfs/dbraw/zinc/00/20/45/396002045.db2.gz LMAUSOPPAZKZBE-CABCVRRESA-N 1 2 320.499 0.978 10 0 DCAELO CCS(=O)(=O)CCCCC[N@H+]1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000249073992 396002048 /nfs/dbraw/zinc/00/20/48/396002048.db2.gz LMAUSOPPAZKZBE-CABCVRRESA-N 1 2 320.499 0.978 10 0 DCAELO O=C(NCC[NH+]1CCOCC1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000153279841 396023293 /nfs/dbraw/zinc/02/32/93/396023293.db2.gz IFEQTCLEPAWTNX-AWEZNQCLSA-N 1 2 307.398 0.979 10 0 DCAELO CCc1ccc(OCC(=O)NC[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000154126674 396032373 /nfs/dbraw/zinc/03/23/73/396032373.db2.gz SJIDAWGUPQEVDM-HNNXBMFYSA-N 1 2 322.405 0.437 10 0 DCAELO COc1cc(C(=O)NC[C@H](O)C[NH+]2CCOCC2)ccc1C ZINC000154157435 396033070 /nfs/dbraw/zinc/03/30/70/396033070.db2.gz SZUOAWIHNWPRJF-AWEZNQCLSA-N 1 2 308.378 0.427 10 0 DCAELO CCn1cnc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)c1 ZINC000261683220 396056087 /nfs/dbraw/zinc/05/60/87/396056087.db2.gz KDLGXNKJJVAVRH-CYBMUJFWSA-N 1 2 321.406 0.633 10 0 DCAELO CCn1nccc1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261831428 396070424 /nfs/dbraw/zinc/07/04/24/396070424.db2.gz OHSIAXKMZSCVRS-CYBMUJFWSA-N 1 2 321.406 0.633 10 0 DCAELO C[C@@H](CNC(=O)[C@H](C)OC[C@H]1CCCO1)[NH+]1CCOCC1 ZINC000250043150 396013759 /nfs/dbraw/zinc/01/37/59/396013759.db2.gz GNJHMXJNVZCIGA-MELADBBJSA-N 1 2 300.399 0.407 10 0 DCAELO CCC(=O)N1CC[C@H](C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000162412099 396081339 /nfs/dbraw/zinc/08/13/39/396081339.db2.gz CIYOOPYQWTVMDT-JSGCOSHPSA-N 1 2 309.410 0.224 10 0 DCAELO CCC(=O)N1CC[C@H](C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000162412099 396081341 /nfs/dbraw/zinc/08/13/41/396081341.db2.gz CIYOOPYQWTVMDT-JSGCOSHPSA-N 1 2 309.410 0.224 10 0 DCAELO O=C([C@H]1CCCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1)N1CCCC1 ZINC000263251069 396209515 /nfs/dbraw/zinc/20/95/15/396209515.db2.gz PXYUHNDSFBMLGP-NWDGAFQWSA-N 1 2 315.364 0.845 10 0 DCAELO C[C@H]1CN(C(=O)NCCCn2ccnc2)C[C@@H]1[NH+]1CCOCC1 ZINC000177297118 396171436 /nfs/dbraw/zinc/17/14/36/396171436.db2.gz DXXOYHPFFCKGPZ-GJZGRUSLSA-N 1 2 321.425 0.635 10 0 DCAELO O=C(NCC1CC1)[C@H]1CCCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263040966 396198954 /nfs/dbraw/zinc/19/89/54/396198954.db2.gz SUBBTJBDMVEKTM-NWDGAFQWSA-N 1 2 315.364 0.748 10 0 DCAELO COc1ccccc1[C@@H](O)CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263082846 396200753 /nfs/dbraw/zinc/20/07/53/396200753.db2.gz XQXGYSCZGNSUHV-MNOVXSKESA-N 1 2 300.305 0.842 10 0 DCAELO Cc1cc(CN2CCN(C(=O)[C@H]3CC(F)(F)C[NH2+]3)CC2)on1 ZINC000263104076 396201359 /nfs/dbraw/zinc/20/13/59/396201359.db2.gz ZSZBNSUQQFSLCU-GFCCVEGCSA-N 1 2 314.336 0.624 10 0 DCAELO O=C(N[C@@H]1CCCN(c2cccnn2)C1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263311353 396212569 /nfs/dbraw/zinc/21/25/69/396212569.db2.gz YSRVALJLSMPBJN-GHMZBOCLSA-N 1 2 311.336 0.559 10 0 DCAELO CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)[C@@H]1CC(F)(F)C[NH2+]1)CC2 ZINC000263146716 396202634 /nfs/dbraw/zinc/20/26/34/396202634.db2.gz CVBXUCKEQOUHNX-QJPTWQEYSA-N 1 2 318.364 0.762 10 0 DCAELO Cn1cc([C@H]2C[NH2+]CCN2S(=O)(=O)c2ccccc2F)cn1 ZINC000181702942 396241667 /nfs/dbraw/zinc/24/16/67/396241667.db2.gz MXOYRFOMMIESQM-CYBMUJFWSA-N 1 2 324.381 0.894 10 0 DCAELO Cn1nccc1[C@H]1CCCCN1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000281937668 396249669 /nfs/dbraw/zinc/24/96/69/396249669.db2.gz RKVWGSYJYWEXOU-DZGCQCFKSA-N 1 2 321.425 0.987 10 0 DCAELO Cn1nccc1[C@H]1CCCCN1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000281937668 396249671 /nfs/dbraw/zinc/24/96/71/396249671.db2.gz RKVWGSYJYWEXOU-DZGCQCFKSA-N 1 2 321.425 0.987 10 0 DCAELO O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CCO[C@H](CO)C1 ZINC000078895029 396257389 /nfs/dbraw/zinc/25/73/89/396257389.db2.gz ZGWDKRXZXBGIPJ-AWEZNQCLSA-N 1 2 320.393 0.453 10 0 DCAELO O=C(NCCCN1CCOC1=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000077332032 396219408 /nfs/dbraw/zinc/21/94/08/396219408.db2.gz UFTOGGDNNLWVGO-UHFFFAOYSA-N 1 2 315.333 0.839 10 0 DCAELO CN1CC[NH+]([C@H]2CCCCN(S(=O)(=O)C3CC3)C2)CC1 ZINC000179677272 396229042 /nfs/dbraw/zinc/22/90/42/396229042.db2.gz GRFLPURZSDHGRO-ZDUSSCGKSA-N 1 2 301.456 0.581 10 0 DCAELO Cn1ncnc1NC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184134448 396286439 /nfs/dbraw/zinc/28/64/39/396286439.db2.gz PBPUEKWBSKEPCL-UHFFFAOYSA-N 1 2 301.354 0.954 10 0 DCAELO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1nc(N(C)C)no1)CC2 ZINC000185266212 396323825 /nfs/dbraw/zinc/32/38/25/396323825.db2.gz KPZJZORQGKZVME-NWDGAFQWSA-N 1 2 310.398 0.888 10 0 DCAELO CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000185482741 396328599 /nfs/dbraw/zinc/32/85/99/396328599.db2.gz HXBKGWLGIHUNBT-NSHDSACASA-N 1 2 316.365 0.764 10 0 DCAELO CC[NH+]1CCN(C(=O)C(=O)Nc2ccnn2[C@H](C)C2CC2)CC1 ZINC000186677229 396355316 /nfs/dbraw/zinc/35/53/16/396355316.db2.gz MZFDRWSLZYSMNQ-GFCCVEGCSA-N 1 2 319.409 0.957 10 0 DCAELO CCN(C[C@@H](O)C(F)(F)F)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000187019636 396361594 /nfs/dbraw/zinc/36/15/94/396361594.db2.gz BGUVMROFKUZDBJ-VHSXEESVSA-N 1 2 313.320 0.272 10 0 DCAELO CCN(C[C@@H](O)C(F)(F)F)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000187019636 396361597 /nfs/dbraw/zinc/36/15/97/396361597.db2.gz BGUVMROFKUZDBJ-VHSXEESVSA-N 1 2 313.320 0.272 10 0 DCAELO O=C(NC1CN(C(=O)NCc2ccn3cc[nH+]c3c2)C1)C1CC1 ZINC000187595691 396371729 /nfs/dbraw/zinc/37/17/29/396371729.db2.gz QQUIYOWNQAITSH-UHFFFAOYSA-N 1 2 313.361 0.754 10 0 DCAELO CC(C)C[C@@H](CO)N(C)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000188356845 396381931 /nfs/dbraw/zinc/38/19/31/396381931.db2.gz BRRGSYXBOMHFKA-KBPBESRZSA-N 1 2 301.431 0.756 10 0 DCAELO CC(=O)NCC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000188892102 396388669 /nfs/dbraw/zinc/38/86/69/396388669.db2.gz BOMCGSBEQGYFSS-UHFFFAOYSA-N 1 2 309.797 0.950 10 0 DCAELO CC(=O)NCC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000188892102 396388672 /nfs/dbraw/zinc/38/86/72/396388672.db2.gz BOMCGSBEQGYFSS-UHFFFAOYSA-N 1 2 309.797 0.950 10 0 DCAELO C[C@@H]1C(=O)NCCC[N@H+]1CC(=O)NCCOc1ccccc1 ZINC000189281373 396392970 /nfs/dbraw/zinc/39/29/70/396392970.db2.gz MDVABJJILOCHFZ-CYBMUJFWSA-N 1 2 305.378 0.392 10 0 DCAELO C[C@@H]1C(=O)NCCC[N@@H+]1CC(=O)NCCOc1ccccc1 ZINC000189281373 396392971 /nfs/dbraw/zinc/39/29/71/396392971.db2.gz MDVABJJILOCHFZ-CYBMUJFWSA-N 1 2 305.378 0.392 10 0 DCAELO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccncc2)CCN1CCO ZINC000190244223 396403529 /nfs/dbraw/zinc/40/35/29/396403529.db2.gz SSDXOIONOADEBC-CQSZACIVSA-N 1 2 315.421 0.981 10 0 DCAELO C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccncc2)CCN1CCO ZINC000190244223 396403530 /nfs/dbraw/zinc/40/35/30/396403530.db2.gz SSDXOIONOADEBC-CQSZACIVSA-N 1 2 315.421 0.981 10 0 DCAELO Cc1ccc(-n2nnnc2NC[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000269314131 396406804 /nfs/dbraw/zinc/40/68/04/396406804.db2.gz FATFRCLPACDWQE-CQSZACIVSA-N 1 2 318.381 0.076 10 0 DCAELO CCc1nnc(C2CC[NH+]([C@@H](C)C(=O)NCC(=O)OC)CC2)[nH]1 ZINC000190708660 396410340 /nfs/dbraw/zinc/41/03/40/396410340.db2.gz DFTJYAIUBCWWAT-JTQLQIEISA-N 1 2 323.397 0.224 10 0 DCAELO CCc1n[nH]c(C2CC[NH+]([C@@H](C)C(=O)NCC(=O)OC)CC2)n1 ZINC000190708660 396410342 /nfs/dbraw/zinc/41/03/42/396410342.db2.gz DFTJYAIUBCWWAT-JTQLQIEISA-N 1 2 323.397 0.224 10 0 DCAELO CCc1nc(C2CC[NH+]([C@@H](C)C(=O)NCC(=O)OC)CC2)n[nH]1 ZINC000190708660 396410344 /nfs/dbraw/zinc/41/03/44/396410344.db2.gz DFTJYAIUBCWWAT-JTQLQIEISA-N 1 2 323.397 0.224 10 0 DCAELO CCNC(=O)NC(=O)C[NH+]1CCC(c2nnc(CC)[nH]2)CC1 ZINC000190700268 396410410 /nfs/dbraw/zinc/41/04/10/396410410.db2.gz LJYGKQCVTQGTBV-UHFFFAOYSA-N 1 2 308.386 0.392 10 0 DCAELO CCNC(=O)NC(=O)C[NH+]1CCC(c2nc(CC)n[nH]2)CC1 ZINC000190700268 396410413 /nfs/dbraw/zinc/41/04/13/396410413.db2.gz LJYGKQCVTQGTBV-UHFFFAOYSA-N 1 2 308.386 0.392 10 0 DCAELO CCNC(=O)NC(=O)C[NH+]1CCC(c2n[nH]c(CC)n2)CC1 ZINC000190700268 396410415 /nfs/dbraw/zinc/41/04/15/396410415.db2.gz LJYGKQCVTQGTBV-UHFFFAOYSA-N 1 2 308.386 0.392 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC(c3cccnc3)=NO2)C1 ZINC000190746288 396410855 /nfs/dbraw/zinc/41/08/55/396410855.db2.gz LLIUZLWVDRYIOR-JSGCOSHPSA-N 1 2 304.350 0.021 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC(c3cccnc3)=NO2)C1 ZINC000190746288 396410856 /nfs/dbraw/zinc/41/08/56/396410856.db2.gz LLIUZLWVDRYIOR-JSGCOSHPSA-N 1 2 304.350 0.021 10 0 DCAELO COCCN1CCC[N@@H+]([C@@H](C)C(=O)NC2CCCC2)CC1=O ZINC000190803918 396412085 /nfs/dbraw/zinc/41/20/85/396412085.db2.gz LATKMEUCZCYHAI-ZDUSSCGKSA-N 1 2 311.426 0.614 10 0 DCAELO COCCN1CCC[N@H+]([C@@H](C)C(=O)NC2CCCC2)CC1=O ZINC000190803918 396412087 /nfs/dbraw/zinc/41/20/87/396412087.db2.gz LATKMEUCZCYHAI-ZDUSSCGKSA-N 1 2 311.426 0.614 10 0 DCAELO COCCN1CCC[N@H+](Cc2cc(C(N)=O)cs2)CC1=O ZINC000191705082 396423488 /nfs/dbraw/zinc/42/34/88/396423488.db2.gz WXNKGQMZEBWYOP-UHFFFAOYSA-N 1 2 311.407 0.528 10 0 DCAELO COCCN1CCC[N@@H+](Cc2cc(C(N)=O)cs2)CC1=O ZINC000191705082 396423490 /nfs/dbraw/zinc/42/34/90/396423490.db2.gz WXNKGQMZEBWYOP-UHFFFAOYSA-N 1 2 311.407 0.528 10 0 DCAELO CCOC1CC(CNC(=O)N[C@@H]2C[C@@H]2C)([NH+]2CCOCC2)C1 ZINC000192476123 396431315 /nfs/dbraw/zinc/43/13/15/396431315.db2.gz UPMUAODAOGDJGZ-PGOFDVKTSA-N 1 2 311.426 0.964 10 0 DCAELO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCCN1c1nccs1 ZINC000192474095 396431452 /nfs/dbraw/zinc/43/14/52/396431452.db2.gz KEKYQWXOYUYALM-STQMWFEESA-N 1 2 324.450 0.949 10 0 DCAELO CN1CC[C@H]([NH+]2CCN(c3cc(C4(C)CC4)[nH]n3)CC2)C1=O ZINC000372344685 396509545 /nfs/dbraw/zinc/50/95/45/396509545.db2.gz GRWSBUXZVZGURX-LBPRGKRZSA-N 1 2 303.410 0.814 10 0 DCAELO NC(=O)[C@H]1COCCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000371466917 396467636 /nfs/dbraw/zinc/46/76/36/396467636.db2.gz UBBZFOXQYWLXDS-CYBMUJFWSA-N 1 2 300.318 0.199 10 0 DCAELO c1ccc(-n2nnnc2C[N@@H+]2CCN3CCOC[C@@H]3C2)cc1 ZINC000371834737 396478210 /nfs/dbraw/zinc/47/82/10/396478210.db2.gz MQPAGXZDHNCJDJ-AWEZNQCLSA-N 1 2 300.366 0.179 10 0 DCAELO c1ccc(-n2nnnc2C[N@H+]2CCN3CCOC[C@@H]3C2)cc1 ZINC000371834737 396478211 /nfs/dbraw/zinc/47/82/11/396478211.db2.gz MQPAGXZDHNCJDJ-AWEZNQCLSA-N 1 2 300.366 0.179 10 0 DCAELO C[C@H](C[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1)CS(C)(=O)=O ZINC000373802667 396615312 /nfs/dbraw/zinc/61/53/12/396615312.db2.gz AKANGCALVYWLGG-MCIONIFRSA-N 1 2 305.440 0.937 10 0 DCAELO C[C@H](C[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1)CS(C)(=O)=O ZINC000373802667 396615315 /nfs/dbraw/zinc/61/53/15/396615315.db2.gz AKANGCALVYWLGG-MCIONIFRSA-N 1 2 305.440 0.937 10 0 DCAELO CC(=O)N1CSC[C@H]1C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000374367715 396658123 /nfs/dbraw/zinc/65/81/23/396658123.db2.gz RWOUXVPMVHXUEM-NEPJUHHUSA-N 1 2 308.407 0.657 10 0 DCAELO Cc1nccc(C[N@@H+]2CCCN(CC(=O)N3CCCC3)CC2)n1 ZINC000375634302 396786889 /nfs/dbraw/zinc/78/68/89/396786889.db2.gz HQUVVZUWMFGCFB-UHFFFAOYSA-N 1 2 317.437 0.915 10 0 DCAELO Cc1nccc(C[N@H+]2CCCN(CC(=O)N3CCCC3)CC2)n1 ZINC000375634302 396786895 /nfs/dbraw/zinc/78/68/95/396786895.db2.gz HQUVVZUWMFGCFB-UHFFFAOYSA-N 1 2 317.437 0.915 10 0 DCAELO CCOC(=O)C[C@@H](O)C[N@@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000312659506 396766393 /nfs/dbraw/zinc/76/63/93/396766393.db2.gz GROZUDVBKKPKPL-NWDGAFQWSA-N 1 2 307.412 0.057 10 0 DCAELO CCOC(=O)C[C@@H](O)C[N@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000312659506 396766394 /nfs/dbraw/zinc/76/63/94/396766394.db2.gz GROZUDVBKKPKPL-NWDGAFQWSA-N 1 2 307.412 0.057 10 0 DCAELO CCN1CCN(C(=O)[C@H](C)n2cncn2)C[C@@H]1c1[nH+]ccn1C ZINC000328626776 396825215 /nfs/dbraw/zinc/82/52/15/396825215.db2.gz MCETYMWCIQMUCS-QWHCGFSZSA-N 1 2 317.397 0.478 10 0 DCAELO C[N@@H+]1CCO[C@@H](CN(CC(N)=O)C(=O)CCc2ccccn2)C1 ZINC000328654686 396830816 /nfs/dbraw/zinc/83/08/16/396830816.db2.gz XQUGXITXBKVOLC-CQSZACIVSA-N 1 2 320.393 0.709 10 0 DCAELO C[N@H+]1CCO[C@@H](CN(CC(N)=O)C(=O)CCc2ccccn2)C1 ZINC000328654686 396830825 /nfs/dbraw/zinc/83/08/25/396830825.db2.gz XQUGXITXBKVOLC-CQSZACIVSA-N 1 2 320.393 0.709 10 0 DCAELO COC(=O)[C@H](O)C1CC[NH+](Cc2nnc(C)n2C2CC2)CC1 ZINC000610995380 396800003 /nfs/dbraw/zinc/80/00/03/396800003.db2.gz BIJTWTNTKGYKKX-CQSZACIVSA-N 1 2 308.382 0.667 10 0 DCAELO CC(=O)NC1(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)CCCCC1 ZINC000332761662 396891278 /nfs/dbraw/zinc/89/12/78/396891278.db2.gz TYGJISJPXZIBOK-LSDHHAIUSA-N 1 2 323.437 0.757 10 0 DCAELO CC(=O)NC1(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)CCCCC1 ZINC000332761662 396891280 /nfs/dbraw/zinc/89/12/80/396891280.db2.gz TYGJISJPXZIBOK-LSDHHAIUSA-N 1 2 323.437 0.757 10 0 DCAELO CO[C@]1(C)C[C@@H](NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1(C)C ZINC000571362440 396943379 /nfs/dbraw/zinc/94/33/79/396943379.db2.gz QVFFNFHLKRPURD-CXAGYDPISA-N 1 2 323.437 0.613 10 0 DCAELO C[C@H](NC(=O)N1CC[C@@H](CC(N)=O)C1)[C@H](C)[NH+]1CCOCC1 ZINC000376755124 396974597 /nfs/dbraw/zinc/97/45/97/396974597.db2.gz LHVVNCHLJUUGIN-AVGNSLFASA-N 1 2 312.414 0.003 10 0 DCAELO CCc1nc(CN2CCC[C@H]([N@H+](C)Cc3cnn(C)n3)C2)no1 ZINC000377875195 397158047 /nfs/dbraw/zinc/15/80/47/397158047.db2.gz REFCQEIOPOSYCR-ZDUSSCGKSA-N 1 2 319.413 0.857 10 0 DCAELO CCc1nc(CN2CCC[C@H]([N@@H+](C)Cc3cnn(C)n3)C2)no1 ZINC000377875195 397158049 /nfs/dbraw/zinc/15/80/49/397158049.db2.gz REFCQEIOPOSYCR-ZDUSSCGKSA-N 1 2 319.413 0.857 10 0 DCAELO O=C(Nc1ccc2[nH+]ccn2c1)N1CCCS(=O)(=O)CC1 ZINC000606582504 397684087 /nfs/dbraw/zinc/68/40/87/397684087.db2.gz ROSNFORHSZSBRF-UHFFFAOYSA-N 1 2 308.363 0.987 10 0 DCAELO COC(=O)[C@H]1CN(C(=O)Nc2ccc3[nH+]ccn3c2)CCO1 ZINC000610027027 397801302 /nfs/dbraw/zinc/80/13/02/397801302.db2.gz XEUVVXJGEJTQLA-LLVKDONJSA-N 1 2 304.306 0.740 10 0 DCAELO COCc1ccc(CNC(=O)C[N@@H+]2CCNC(=O)CC2)cc1 ZINC000065954657 158034300 /nfs/dbraw/zinc/03/43/00/158034300.db2.gz UPNVVEPOSGVFSN-UHFFFAOYSA-N 1 2 305.378 0.271 10 0 DCAELO COCc1ccc(CNC(=O)C[N@H+]2CCNC(=O)CC2)cc1 ZINC000065954657 158034301 /nfs/dbraw/zinc/03/43/01/158034301.db2.gz UPNVVEPOSGVFSN-UHFFFAOYSA-N 1 2 305.378 0.271 10 0 DCAELO C[C@H](CNC(=O)[C@H]1Cc2cc(F)ccc2O1)[NH+]1CCOCC1 ZINC000076957851 158065967 /nfs/dbraw/zinc/06/59/67/158065967.db2.gz FTBHDDFFHGBNPZ-IAQYHMDHSA-N 1 2 308.353 0.966 10 0 DCAELO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2[C@H](C)COC[C@@H]2C)C1 ZINC000077657635 158068688 /nfs/dbraw/zinc/06/86/88/158068688.db2.gz FGUVHLUZDGBCPV-HZSPNIEDSA-N 1 2 312.410 0.897 10 0 DCAELO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2[C@H](C)COC[C@@H]2C)C1 ZINC000077657635 158068692 /nfs/dbraw/zinc/06/86/92/158068692.db2.gz FGUVHLUZDGBCPV-HZSPNIEDSA-N 1 2 312.410 0.897 10 0 DCAELO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000081047410 158082850 /nfs/dbraw/zinc/08/28/50/158082850.db2.gz GKTSFKWPPODVNE-RDDDGLTNSA-N 1 2 309.288 0.362 10 0 DCAELO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000081047410 158082852 /nfs/dbraw/zinc/08/28/52/158082852.db2.gz GKTSFKWPPODVNE-RDDDGLTNSA-N 1 2 309.288 0.362 10 0 DCAELO C[C@H](Oc1cccc(C=O)c1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000109264575 158136793 /nfs/dbraw/zinc/13/67/93/158136793.db2.gz VGAQXMLOCTWEKF-SWLSCSKDSA-N 1 2 306.362 0.713 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCN2c2nccs2)C1 ZINC000110673484 158138755 /nfs/dbraw/zinc/13/87/55/158138755.db2.gz OCDVIIQNEFRGMO-RYUDHWBXSA-N 1 2 310.423 0.559 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCN2c2nccs2)C1 ZINC000110673484 158138757 /nfs/dbraw/zinc/13/87/57/158138757.db2.gz OCDVIIQNEFRGMO-RYUDHWBXSA-N 1 2 310.423 0.559 10 0 DCAELO Cn1nc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)ccc1=O ZINC000110957823 158139694 /nfs/dbraw/zinc/13/96/94/158139694.db2.gz RNSJPDGFFOQUJZ-ZDUSSCGKSA-N 1 2 320.393 0.107 10 0 DCAELO CCCC(=O)NCC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000119747459 158190948 /nfs/dbraw/zinc/19/09/48/158190948.db2.gz CDPAOFVOGCVGNB-UHFFFAOYSA-N 1 2 301.350 0.800 10 0 DCAELO COc1cccc(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)c1O ZINC000127225122 158271090 /nfs/dbraw/zinc/27/10/90/158271090.db2.gz VYCTUEJDQTXDOL-LBPRGKRZSA-N 1 2 306.362 0.994 10 0 DCAELO O=C(COc1ccc(F)cc1)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000129086641 158286080 /nfs/dbraw/zinc/28/60/80/158286080.db2.gz SLWWPGZRNUJHSQ-CYBMUJFWSA-N 1 2 312.341 0.014 10 0 DCAELO C[C@H]1CN(S(=O)(=O)N(C)CCCn2cc[nH+]c2)C[C@H](C)O1 ZINC000134544157 158328758 /nfs/dbraw/zinc/32/87/58/158328758.db2.gz GLCYVCZGZVCXHL-STQMWFEESA-N 1 2 316.427 0.559 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2ccccc2N2CCOCC2)C1 ZINC000170683820 158376090 /nfs/dbraw/zinc/37/60/90/158376090.db2.gz GZFCHBCWCSXYBX-AWEZNQCLSA-N 1 2 319.405 0.584 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)c2ccccc2N2CCOCC2)C1 ZINC000170683820 158376091 /nfs/dbraw/zinc/37/60/91/158376091.db2.gz GZFCHBCWCSXYBX-AWEZNQCLSA-N 1 2 319.405 0.584 10 0 DCAELO COC(C)(C)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000171595301 158384081 /nfs/dbraw/zinc/38/40/81/158384081.db2.gz IMUCANFKLIFHBQ-UHFFFAOYSA-N 1 2 307.398 0.140 10 0 DCAELO Cc1cc(C)n(C[C@@H]2C[N@@H+]([C@H]3CCN(C4CC4)C3=O)CCO2)n1 ZINC000328673298 159019397 /nfs/dbraw/zinc/01/93/97/159019397.db2.gz OZWGHDIQWQALNF-HOTGVXAUSA-N 1 2 318.421 0.964 10 0 DCAELO Cc1cc(C)n(C[C@@H]2C[N@H+]([C@H]3CCN(C4CC4)C3=O)CCO2)n1 ZINC000328673298 159019398 /nfs/dbraw/zinc/01/93/98/159019398.db2.gz OZWGHDIQWQALNF-HOTGVXAUSA-N 1 2 318.421 0.964 10 0 DCAELO CCCC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000328902133 159038511 /nfs/dbraw/zinc/03/85/11/159038511.db2.gz GGJRYJUPVZUJBT-KFWWJZLASA-N 1 2 323.437 0.709 10 0 DCAELO CCCC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000328902133 159038513 /nfs/dbraw/zinc/03/85/13/159038513.db2.gz GGJRYJUPVZUJBT-KFWWJZLASA-N 1 2 323.437 0.709 10 0 DCAELO Cc1nn(C)c(C)c1OCC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000328900063 159039176 /nfs/dbraw/zinc/03/91/76/159039176.db2.gz XYBJCTHSNVIPIW-KBPBESRZSA-N 1 2 322.409 0.347 10 0 DCAELO Cc1nn(C)c(C)c1OCC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000328900063 159039177 /nfs/dbraw/zinc/03/91/77/159039177.db2.gz XYBJCTHSNVIPIW-KBPBESRZSA-N 1 2 322.409 0.347 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)Cn3cc4ccccc4n3)C[C@@H]21 ZINC000329181930 159070341 /nfs/dbraw/zinc/07/03/41/159070341.db2.gz NPOGBIUGLVIZOU-HOTGVXAUSA-N 1 2 314.389 0.968 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)Cn3cc4ccccc4n3)C[C@@H]21 ZINC000329181930 159070343 /nfs/dbraw/zinc/07/03/43/159070343.db2.gz NPOGBIUGLVIZOU-HOTGVXAUSA-N 1 2 314.389 0.968 10 0 DCAELO C[C@H](C(=O)N1CC=C(c2ccnn2C)CC1)[NH+]1CCOCC1 ZINC000329327739 159083289 /nfs/dbraw/zinc/08/32/89/159083289.db2.gz URNOSVYWZXPRIA-CYBMUJFWSA-N 1 2 304.394 0.757 10 0 DCAELO Cc1nc(C)n(C[C@H]2CN(C(=O)CCn3cc[nH+]c3)CCO2)n1 ZINC000329767931 159118709 /nfs/dbraw/zinc/11/87/09/159118709.db2.gz FZPVDGGUPITPBZ-CQSZACIVSA-N 1 2 318.381 0.409 10 0 DCAELO CC(C)C(=O)N1CC[NH+]([C@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000330033504 159137186 /nfs/dbraw/zinc/13/71/86/159137186.db2.gz VOJSNXWVKZSZAU-HNNXBMFYSA-N 1 2 323.437 0.567 10 0 DCAELO Cc1cc(CS(=O)(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)on1 ZINC000330132041 159144161 /nfs/dbraw/zinc/14/41/61/159144161.db2.gz LGPVHIPJNWVPPF-CYBMUJFWSA-N 1 2 315.395 0.266 10 0 DCAELO O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000330178647 159148212 /nfs/dbraw/zinc/14/82/12/159148212.db2.gz DVXDZFWVAAWYFH-YHUYYLMFSA-N 1 2 317.389 0.606 10 0 DCAELO O=C([C@H]1CCCCC(=O)N1)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000407967758 304422987 /nfs/dbraw/zinc/42/29/87/304422987.db2.gz RGOKWPHVXDZJNU-ZIAGYGMSSA-N 1 2 302.378 0.613 10 0 DCAELO C[N@@H+]1CCO[C@@H](CN(CC2CC2)S(=O)(=O)c2c[nH]cn2)C1 ZINC000330270903 159155644 /nfs/dbraw/zinc/15/56/44/159155644.db2.gz VAELXALMHBNQOW-GFCCVEGCSA-N 1 2 314.411 0.141 10 0 DCAELO C[N@H+]1CCO[C@@H](CN(CC2CC2)S(=O)(=O)c2c[nH]cn2)C1 ZINC000330270903 159155645 /nfs/dbraw/zinc/15/56/45/159155645.db2.gz VAELXALMHBNQOW-GFCCVEGCSA-N 1 2 314.411 0.141 10 0 DCAELO O=C(c1c[nH]nc1[C@@H]1CCOC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000330330515 159160959 /nfs/dbraw/zinc/16/09/59/159160959.db2.gz NJYMHVWSLNXKRO-CHWSQXEVSA-N 1 2 320.393 0.460 10 0 DCAELO COCCN1CN(C(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)CC1=O ZINC000367026847 159306954 /nfs/dbraw/zinc/30/69/54/159306954.db2.gz OMLSLHLFAFGVTI-OAHLLOKOSA-N 1 2 317.389 0.536 10 0 DCAELO COCCN1CN(C(=O)[C@H]2CC[N@H+]2Cc2ccccc2)CC1=O ZINC000367026847 159306955 /nfs/dbraw/zinc/30/69/55/159306955.db2.gz OMLSLHLFAFGVTI-OAHLLOKOSA-N 1 2 317.389 0.536 10 0 DCAELO C[C@H]1CCCN(C(=O)C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)C1 ZINC000367083970 159312660 /nfs/dbraw/zinc/31/26/60/159312660.db2.gz KCMUQPZIXIHBOV-ZFWWWQNUSA-N 1 2 316.405 0.813 10 0 DCAELO CNC(=O)[C@@H](NC(=O)C[N@@H+]1CCOCC[C@H]1C)c1ccccc1 ZINC000367668849 159350171 /nfs/dbraw/zinc/35/01/71/159350171.db2.gz YMILCKCXAYFTDJ-CJNGLKHVSA-N 1 2 319.405 0.701 10 0 DCAELO CNC(=O)[C@@H](NC(=O)C[N@H+]1CCOCC[C@H]1C)c1ccccc1 ZINC000367668849 159350174 /nfs/dbraw/zinc/35/01/74/159350174.db2.gz YMILCKCXAYFTDJ-CJNGLKHVSA-N 1 2 319.405 0.701 10 0 DCAELO C=Cn1cc(C[N@H+]2CCCN(S(=O)(=O)N(C)C)CC2)cn1 ZINC000367954930 159366938 /nfs/dbraw/zinc/36/69/38/159366938.db2.gz FOZLMCQSGMPJJH-UHFFFAOYSA-N 1 2 313.427 0.298 10 0 DCAELO C=Cn1cc(C[N@@H+]2CCCN(S(=O)(=O)N(C)C)CC2)cn1 ZINC000367954930 159366939 /nfs/dbraw/zinc/36/69/39/159366939.db2.gz FOZLMCQSGMPJJH-UHFFFAOYSA-N 1 2 313.427 0.298 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)NCCCN3CCCC3=O)C[C@H]21 ZINC000408015858 160012138 /nfs/dbraw/zinc/01/21/38/160012138.db2.gz FVIDIMFNTIMEGM-KGLIPLIRSA-N 1 2 324.425 0.113 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)NCCCN3CCCC3=O)C[C@H]21 ZINC000408015858 160012142 /nfs/dbraw/zinc/01/21/42/160012142.db2.gz FVIDIMFNTIMEGM-KGLIPLIRSA-N 1 2 324.425 0.113 10 0 DCAELO CC(=O)N1CCC[C@](O)(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000408052341 160023805 /nfs/dbraw/zinc/02/38/05/160023805.db2.gz UEFXDRKQNZPHSD-XJKSGUPXSA-N 1 2 320.393 0.489 10 0 DCAELO C[C@H]1CC[N@H+](CC(=O)N2CC(=O)Nc3ccccc32)C[C@H]1O ZINC000408089922 160033169 /nfs/dbraw/zinc/03/31/69/160033169.db2.gz KTVNCIBDUFPNHB-SMDDNHRTSA-N 1 2 303.362 0.674 10 0 DCAELO C[C@H]1CC[N@@H+](CC(=O)N2CC(=O)Nc3ccccc32)C[C@H]1O ZINC000408089922 160033171 /nfs/dbraw/zinc/03/31/71/160033171.db2.gz KTVNCIBDUFPNHB-SMDDNHRTSA-N 1 2 303.362 0.674 10 0 DCAELO CN(C)C(=O)C1CCN(c2ncnc3c2C[N@H+](C)CC3)CC1 ZINC000408159327 160050083 /nfs/dbraw/zinc/05/00/83/160050083.db2.gz PFBGTZSLERFFNQ-UHFFFAOYSA-N 1 2 303.410 0.769 10 0 DCAELO CN(C)C(=O)C1CCN(c2ncnc3c2C[N@@H+](C)CC3)CC1 ZINC000408159327 160050084 /nfs/dbraw/zinc/05/00/84/160050084.db2.gz PFBGTZSLERFFNQ-UHFFFAOYSA-N 1 2 303.410 0.769 10 0 DCAELO O=C(c1cccnc1N1CCOCC1)N1CCn2cc[nH+]c2C1 ZINC000408165641 160050909 /nfs/dbraw/zinc/05/09/09/160050909.db2.gz NJGUIOBRAHWJFX-UHFFFAOYSA-N 1 2 313.361 0.771 10 0 DCAELO CC(C)S(=O)(=O)CC(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000408183948 160053957 /nfs/dbraw/zinc/05/39/57/160053957.db2.gz VMMIJDBFKPATCQ-QWHCGFSZSA-N 1 2 302.440 0.895 10 0 DCAELO CC(C)S(=O)(=O)CC(=O)N1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000408183948 160053959 /nfs/dbraw/zinc/05/39/59/160053959.db2.gz VMMIJDBFKPATCQ-QWHCGFSZSA-N 1 2 302.440 0.895 10 0 DCAELO C[C@@H](C(=O)N1CCC(C)CC1)[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000408218629 160062301 /nfs/dbraw/zinc/06/23/01/160062301.db2.gz JCVGOKPHVMALFQ-KBPBESRZSA-N 1 2 316.467 1.000 10 0 DCAELO C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000408218629 160062302 /nfs/dbraw/zinc/06/23/02/160062302.db2.gz JCVGOKPHVMALFQ-KBPBESRZSA-N 1 2 316.467 1.000 10 0 DCAELO Cc1cnc(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c(O)c1 ZINC000408223367 160063232 /nfs/dbraw/zinc/06/32/32/160063232.db2.gz ISTJBYURFWWRTA-CHWSQXEVSA-N 1 2 305.378 0.888 10 0 DCAELO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@H]2[C@@H](C)C2(F)F)CC1 ZINC000408230104 160064465 /nfs/dbraw/zinc/06/44/65/160064465.db2.gz BXTXFMYHSAOWLS-CKYFFXLPSA-N 1 2 315.364 0.699 10 0 DCAELO Cc1ccc(S(=O)(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)o1 ZINC000408387677 160097476 /nfs/dbraw/zinc/09/74/76/160097476.db2.gz XRSPJAAMMXKRAL-GFCCVEGCSA-N 1 2 324.406 0.999 10 0 DCAELO C[C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@@H]1[NH+]1CCOCC1 ZINC000408417097 160103384 /nfs/dbraw/zinc/10/33/84/160103384.db2.gz XNXZORJDJWZZIG-MNOVXSKESA-N 1 2 307.350 0.171 10 0 DCAELO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)N2CCCC[C@H]2C)CC1 ZINC000408440018 160108533 /nfs/dbraw/zinc/10/85/33/160108533.db2.gz XPIVWQQYGDDOEA-CHWSQXEVSA-N 1 2 305.444 0.104 10 0 DCAELO O=C([C@H]1CSCCS1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000177347441 287054186 /nfs/dbraw/zinc/05/41/86/287054186.db2.gz WSEMXJZDCBIHFW-NWDGAFQWSA-N 1 2 302.465 0.768 10 0 DCAELO CC[C@@H]1C[N@H+](CC(=O)NC[C@H]2CCCO2)CCN1CC(F)F ZINC000245804179 287073303 /nfs/dbraw/zinc/07/33/03/287073303.db2.gz ZXNGITGJJWUDHA-CHWSQXEVSA-N 1 2 319.396 0.943 10 0 DCAELO CC[C@@H]1C[N@@H+](CC(=O)NC[C@H]2CCCO2)CCN1CC(F)F ZINC000245804179 287073305 /nfs/dbraw/zinc/07/33/05/287073305.db2.gz ZXNGITGJJWUDHA-CHWSQXEVSA-N 1 2 319.396 0.943 10 0 DCAELO CNC(=O)[C@@H]1CCCC[N@@H+]1CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000245893151 287074169 /nfs/dbraw/zinc/07/41/69/287074169.db2.gz GXIYXTOMILLBAI-QLFBSQMISA-N 1 2 323.437 0.757 10 0 DCAELO CNC(=O)[C@@H]1CCCC[N@H+]1CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000245893151 287074170 /nfs/dbraw/zinc/07/41/70/287074170.db2.gz GXIYXTOMILLBAI-QLFBSQMISA-N 1 2 323.437 0.757 10 0 DCAELO Cc1noc(C)c1S(=O)(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246094623 287076673 /nfs/dbraw/zinc/07/66/73/287076673.db2.gz KRUGCAFLNGHIEP-ZJUUUORDSA-N 1 2 317.411 0.367 10 0 DCAELO Cc1noc(C)c1S(=O)(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246094623 287076676 /nfs/dbraw/zinc/07/66/76/287076676.db2.gz KRUGCAFLNGHIEP-ZJUUUORDSA-N 1 2 317.411 0.367 10 0 DCAELO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247249116 287092480 /nfs/dbraw/zinc/09/24/80/287092480.db2.gz XPBJLGINLHDZKL-UPJWGTAASA-N 1 2 317.455 0.305 10 0 DCAELO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247249116 287092481 /nfs/dbraw/zinc/09/24/81/287092481.db2.gz XPBJLGINLHDZKL-UPJWGTAASA-N 1 2 317.455 0.305 10 0 DCAELO CC[C@@H]1CN(S(=O)(=O)C[C@H](C)OC)CC[N@@H+]1CCOC ZINC000249581030 287114761 /nfs/dbraw/zinc/11/47/61/287114761.db2.gz NJCFNGORDKHLJN-QWHCGFSZSA-N 1 2 308.444 0.394 10 0 DCAELO CC[C@@H]1CN(S(=O)(=O)C[C@H](C)OC)CC[N@H+]1CCOC ZINC000249581030 287114766 /nfs/dbraw/zinc/11/47/66/287114766.db2.gz NJCFNGORDKHLJN-QWHCGFSZSA-N 1 2 308.444 0.394 10 0 DCAELO CC[C@@H]1C[N@H+](C[C@@H](C)CS(C)(=O)=O)C[C@]2(CCOC2)O1 ZINC000373804202 287197029 /nfs/dbraw/zinc/19/70/29/287197029.db2.gz GZZKANDILGSBPV-MCIONIFRSA-N 1 2 305.440 0.937 10 0 DCAELO CC[C@@H]1C[N@@H+](C[C@@H](C)CS(C)(=O)=O)C[C@]2(CCOC2)O1 ZINC000373804202 287197030 /nfs/dbraw/zinc/19/70/30/287197030.db2.gz GZZKANDILGSBPV-MCIONIFRSA-N 1 2 305.440 0.937 10 0 DCAELO C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)CC(=O)NC(C)(C)C ZINC000046486863 415258745 /nfs/dbraw/zinc/25/87/45/415258745.db2.gz RMRHEMMLKSXPEU-GFCCVEGCSA-N 1 2 314.430 0.263 10 0 DCAELO Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000332948829 415512162 /nfs/dbraw/zinc/51/21/62/415512162.db2.gz ZHGGBVAJEHGYFS-YNEHKIRRSA-N 1 2 320.397 0.146 10 0 DCAELO Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000332948829 415512167 /nfs/dbraw/zinc/51/21/67/415512167.db2.gz ZHGGBVAJEHGYFS-YNEHKIRRSA-N 1 2 320.397 0.146 10 0 DCAELO O=C(C[N@H+]1CCc2ccc(Cl)cc2C1)N1CCNC(=O)C1 ZINC000090615053 415529768 /nfs/dbraw/zinc/52/97/68/415529768.db2.gz RJXPMJJMOPXQIG-UHFFFAOYSA-N 1 2 307.781 0.657 10 0 DCAELO O=C(C[N@@H+]1CCc2ccc(Cl)cc2C1)N1CCNC(=O)C1 ZINC000090615053 415529774 /nfs/dbraw/zinc/52/97/74/415529774.db2.gz RJXPMJJMOPXQIG-UHFFFAOYSA-N 1 2 307.781 0.657 10 0 DCAELO C[C@@H]1C[N@H+](CCO)CCN1S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000333158579 415573110 /nfs/dbraw/zinc/57/31/10/415573110.db2.gz LNCPBEOMAVMEES-MQYQWHSLSA-N 1 2 302.440 0.503 10 0 DCAELO C[C@@H]1C[N@@H+](CCO)CCN1S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000333158579 415573114 /nfs/dbraw/zinc/57/31/14/415573114.db2.gz LNCPBEOMAVMEES-MQYQWHSLSA-N 1 2 302.440 0.503 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH]nc4C3)C[C@H]21 ZINC000284838806 415604176 /nfs/dbraw/zinc/60/41/76/415604176.db2.gz ZDOXBXZORXBCMJ-KCPJHIHWSA-N 1 2 304.394 0.446 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH]nc4C3)C[C@H]21 ZINC000284838806 415604180 /nfs/dbraw/zinc/60/41/80/415604180.db2.gz ZDOXBXZORXBCMJ-KCPJHIHWSA-N 1 2 304.394 0.446 10 0 DCAELO CC[N@H+](Cc1nnc(C)o1)[C@H]1CN(C(=O)[C@H]2CC2(C)C)C[C@H]1O ZINC000333319973 415610496 /nfs/dbraw/zinc/61/04/96/415610496.db2.gz WTOWXURXBXTLKD-FRRDWIJNSA-N 1 2 322.409 0.818 10 0 DCAELO CC[N@@H+](Cc1nnc(C)o1)[C@H]1CN(C(=O)[C@H]2CC2(C)C)C[C@H]1O ZINC000333319973 415610502 /nfs/dbraw/zinc/61/05/02/415610502.db2.gz WTOWXURXBXTLKD-FRRDWIJNSA-N 1 2 322.409 0.818 10 0 DCAELO Cc1nnc(CN2CCN(Cc3[nH+]ccn3C)CC2)n1C1CC1 ZINC000105930266 415638849 /nfs/dbraw/zinc/63/88/49/415638849.db2.gz VXVBMIVVEGDIHU-UHFFFAOYSA-N 1 2 315.425 0.973 10 0 DCAELO CO[C@H]1C[C@@H](C(=O)Nc2ccn(-c3ccccc3)n2)[N@H+](C)C1 ZINC000343662795 415675076 /nfs/dbraw/zinc/67/50/76/415675076.db2.gz MMIVQLJISFBJAW-KBPBESRZSA-N 1 2 300.362 1.530 10 0 DCAELO CO[C@H]1C[C@@H](C(=O)Nc2ccn(-c3ccccc3)n2)[N@@H+](C)C1 ZINC000343662795 415675082 /nfs/dbraw/zinc/67/50/82/415675082.db2.gz MMIVQLJISFBJAW-KBPBESRZSA-N 1 2 300.362 1.530 10 0 DCAELO CCS(=O)(=O)CC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000112670409 415717095 /nfs/dbraw/zinc/71/70/95/415717095.db2.gz PRDPDFOPQRNMTM-UHFFFAOYSA-N 1 2 313.423 0.863 10 0 DCAELO COC(=O)[C@@H]([NH+]1CCN(c2cccnn2)CC1)C1(OC)CCC1 ZINC000289963948 415742394 /nfs/dbraw/zinc/74/23/94/415742394.db2.gz IUNATXGEPLPIAQ-CQSZACIVSA-N 1 2 320.393 0.709 10 0 DCAELO CC[C@@H](OC1CCCC1)C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000128026892 415893907 /nfs/dbraw/zinc/89/39/07/415893907.db2.gz TZWJTROICNDFCF-UKRRQHHQSA-N 1 2 314.426 0.534 10 0 DCAELO Cc1cccc(F)c1NC(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000133609199 415948389 /nfs/dbraw/zinc/94/83/89/415948389.db2.gz ASBSVGXEIFYYON-LBPRGKRZSA-N 1 2 311.357 0.949 10 0 DCAELO O=C(CNC(=O)c1cccnc1)NCCCNc1cccc[nH+]1 ZINC000153540210 415982785 /nfs/dbraw/zinc/98/27/85/415982785.db2.gz VIZKWEGBCZUGBP-UHFFFAOYSA-N 1 2 313.361 0.825 10 0 DCAELO Cn1c(CNC(=O)C(C)(C)[NH+]2CCOCC2)nnc1C1CCC1 ZINC000338183107 416055728 /nfs/dbraw/zinc/05/57/28/416055728.db2.gz XITKXJONXQZVSR-UHFFFAOYSA-N 1 2 321.425 0.810 10 0 DCAELO Cc1cc(N2CC[C@H]([N@@H+]3CCC4(C3)OCCO4)C2=O)n(C)n1 ZINC000173327441 416056722 /nfs/dbraw/zinc/05/67/22/416056722.db2.gz LNXIVILXJFNJLP-LBPRGKRZSA-N 1 2 306.366 0.283 10 0 DCAELO Cc1cc(N2CC[C@H]([N@H+]3CCC4(C3)OCCO4)C2=O)n(C)n1 ZINC000173327441 416056726 /nfs/dbraw/zinc/05/67/26/416056726.db2.gz LNXIVILXJFNJLP-LBPRGKRZSA-N 1 2 306.366 0.283 10 0 DCAELO O=C(NCCCOCC1CC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173791109 416066444 /nfs/dbraw/zinc/06/64/44/416066444.db2.gz WFKYQOVCLNHWRI-HNNXBMFYSA-N 1 2 311.426 0.919 10 0 DCAELO CC(=O)Nc1ccc(O)c(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c1 ZINC000356939980 416008632 /nfs/dbraw/zinc/00/86/32/416008632.db2.gz SQMGMJFAGPGVRY-HIFRSBDPSA-N 1 2 319.361 0.506 10 0 DCAELO CC(=O)Nc1ccc(O)c(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c1 ZINC000356939980 416008636 /nfs/dbraw/zinc/00/86/36/416008636.db2.gz SQMGMJFAGPGVRY-HIFRSBDPSA-N 1 2 319.361 0.506 10 0 DCAELO C(CNc1nnc(C2CCOCC2)s1)C[NH+]1CCOCC1 ZINC000338633926 416120940 /nfs/dbraw/zinc/12/09/40/416120940.db2.gz YWIROOUSQBZXAJ-UHFFFAOYSA-N 1 2 312.439 1.566 10 0 DCAELO Cc1nnc([C@H]2CN(C(=O)[C@H]3CCCn4cc[nH+]c43)CCO2)[nH]1 ZINC000176473322 416125809 /nfs/dbraw/zinc/12/58/09/416125809.db2.gz HTGJDPPXBKIUFX-NWDGAFQWSA-N 1 2 316.365 0.787 10 0 DCAELO OC[C@H](CNc1cc(NC[C@@H](CO)C2CC2)[nH+]cn1)C1CC1 ZINC000357774144 416130242 /nfs/dbraw/zinc/13/02/42/416130242.db2.gz JSBPRZRDJAIAFW-KBPBESRZSA-N 1 2 306.410 1.337 10 0 DCAELO CN1CC[N@H+](C)[C@@H](CNC(=O)NCc2ccc3cc[nH]c3n2)C1 ZINC000357780305 416131920 /nfs/dbraw/zinc/13/19/20/416131920.db2.gz MUFBWDTXZMYXSJ-AWEZNQCLSA-N 1 2 316.409 0.608 10 0 DCAELO CN1CC[N@@H+](C)[C@@H](CNC(=O)NCc2ccc3cc[nH]c3n2)C1 ZINC000357780305 416131924 /nfs/dbraw/zinc/13/19/24/416131924.db2.gz MUFBWDTXZMYXSJ-AWEZNQCLSA-N 1 2 316.409 0.608 10 0 DCAELO Cc1cc(C)cc(NC(=O)C(=O)NC[C@@H]2C[NH+]3CCN2CC3)c1 ZINC000178957439 416179520 /nfs/dbraw/zinc/17/95/20/416179520.db2.gz UYESAKXADFSENR-OAHLLOKOSA-N 1 2 316.405 0.358 10 0 DCAELO COC(=O)c1[nH]c(C)c(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)c1C ZINC000178970837 416179867 /nfs/dbraw/zinc/17/98/67/416179867.db2.gz QKDMUDZSHKCLFF-GFCCVEGCSA-N 1 2 320.393 0.148 10 0 DCAELO C[C@@H]1CN(Cc2ccc(C(=O)N(C)C)[nH]2)C[C@@H]1[NH+]1CCOCC1 ZINC000180226791 416194308 /nfs/dbraw/zinc/19/43/08/416194308.db2.gz BQKQYJCIGBSXFC-CJNGLKHVSA-N 1 2 320.437 0.869 10 0 DCAELO CCc1nnc(C[NH+]2CCC(c3ccnn3CCO)CC2)[nH]1 ZINC000181670919 416209248 /nfs/dbraw/zinc/20/92/48/416209248.db2.gz YPRXYHJYYBNITM-UHFFFAOYSA-N 1 2 304.398 0.936 10 0 DCAELO Cc1ccccc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000190036209 416273847 /nfs/dbraw/zinc/27/38/47/416273847.db2.gz QLXNBHVBHBOAKT-CYBMUJFWSA-N 1 2 305.378 0.459 10 0 DCAELO Cc1ccccc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000190036209 416273851 /nfs/dbraw/zinc/27/38/51/416273851.db2.gz QLXNBHVBHBOAKT-CYBMUJFWSA-N 1 2 305.378 0.459 10 0 DCAELO Cc1cc(C)cc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1 ZINC000190026748 416273881 /nfs/dbraw/zinc/27/38/81/416273881.db2.gz GILNYWXXENXEHM-CQSZACIVSA-N 1 2 319.405 0.767 10 0 DCAELO Cc1cc(C)cc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1 ZINC000190026748 416273883 /nfs/dbraw/zinc/27/38/83/416273883.db2.gz GILNYWXXENXEHM-CQSZACIVSA-N 1 2 319.405 0.767 10 0 DCAELO CCC[C@@H]1C[C@@H](C(=O)NC[C@H](O)C[NH+]2CCOCC2)CCO1 ZINC000183202150 416238296 /nfs/dbraw/zinc/23/82/96/416238296.db2.gz LGPGQDHOVPOUSB-SOUVJXGZSA-N 1 2 314.426 0.391 10 0 DCAELO COCCOc1ccc(CC(=O)NC[C@H]2C[N@H+](C)CCO2)cc1 ZINC000191999045 416295567 /nfs/dbraw/zinc/29/55/67/416295567.db2.gz OYQARACXLCOOPV-INIZCTEOSA-N 1 2 322.405 0.701 10 0 DCAELO COCCOc1ccc(CC(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000191999045 416295570 /nfs/dbraw/zinc/29/55/70/416295570.db2.gz OYQARACXLCOOPV-INIZCTEOSA-N 1 2 322.405 0.701 10 0 DCAELO COC(=O)[C@@H](c1cccnc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000246074543 416331564 /nfs/dbraw/zinc/33/15/64/416331564.db2.gz DYWAXQLFOVHSPO-HUUCEWRRSA-N 1 2 305.378 0.702 10 0 DCAELO COC(=O)c1cn([C@H]2CCC[N@@H+](Cc3ncccn3)C2)nn1 ZINC000361755474 416491615 /nfs/dbraw/zinc/49/16/15/416491615.db2.gz QYJFBHQZBISCIW-NSHDSACASA-N 1 2 302.338 0.692 10 0 DCAELO COC(=O)c1cn([C@H]2CCC[N@H+](Cc3ncccn3)C2)nn1 ZINC000361755474 416491610 /nfs/dbraw/zinc/49/16/10/416491610.db2.gz QYJFBHQZBISCIW-NSHDSACASA-N 1 2 302.338 0.692 10 0 DCAELO C[C@H](c1nnnn1C1CC1)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000583599903 416476132 /nfs/dbraw/zinc/47/61/32/416476132.db2.gz MNSFOIRWZVQBFB-GFCCVEGCSA-N 1 2 316.413 0.620 10 0 DCAELO CCN1CCN(C(=O)Cc2cnn(C)c2)C[C@H]1c1[nH+]ccn1C ZINC000583623179 416480347 /nfs/dbraw/zinc/48/03/47/416480347.db2.gz WIWJOGJJDASYHM-AWEZNQCLSA-N 1 2 316.409 0.602 10 0 DCAELO Cn1nccc1[C@@H]1CCCC[N@@H+]1CCN1CCCS1(=O)=O ZINC000533208941 416480448 /nfs/dbraw/zinc/48/04/48/416480448.db2.gz HXRYSAJUMMVYDJ-AWEZNQCLSA-N 1 2 312.439 0.983 10 0 DCAELO Cn1nccc1[C@@H]1CCCC[N@H+]1CCN1CCCS1(=O)=O ZINC000533208941 416480455 /nfs/dbraw/zinc/48/04/55/416480455.db2.gz HXRYSAJUMMVYDJ-AWEZNQCLSA-N 1 2 312.439 0.983 10 0 DCAELO CCN1CCN(C(=O)NC[C@H]2CCOC2)C[C@@H]1c1[nH+]ccn1C ZINC000583622859 416480467 /nfs/dbraw/zinc/48/04/67/416480467.db2.gz FUKXETVXWJSOBR-ZIAGYGMSSA-N 1 2 321.425 0.845 10 0 DCAELO CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000362668998 416568680 /nfs/dbraw/zinc/56/86/80/416568680.db2.gz SWQPAXVWEJOCPR-GHMZBOCLSA-N 1 2 320.393 1.531 10 0 DCAELO CCc1nc(C(C)(C)[NH2+]C[C@@H](O)CO[C@@H](C)COC)no1 ZINC000441260110 416667241 /nfs/dbraw/zinc/66/72/41/416667241.db2.gz GGELZMWNXAZFDV-WDEREUQCSA-N 1 2 301.387 0.869 10 0 DCAELO Cc1cnc(C[NH+]2CCC([C@@]3(C)NC(=O)NC3=O)CC2)nc1 ZINC000515077775 416692277 /nfs/dbraw/zinc/69/22/77/416692277.db2.gz QMVFKBQHHUNKSA-OAHLLOKOSA-N 1 2 303.366 0.595 10 0 DCAELO CC(=O)N1c2ccccc2C[C@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623269579 416786635 /nfs/dbraw/zinc/78/66/35/416786635.db2.gz NYMROIYYSKUSSG-BBRMVZONSA-N 1 2 310.357 0.902 10 0 DCAELO CNc1ccc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cn1 ZINC000376647832 417035284 /nfs/dbraw/zinc/03/52/84/417035284.db2.gz AUNNVJHGVYDUEI-HNNXBMFYSA-N 1 2 318.421 1.450 10 0 DCAELO Nc1[nH+]cnc(NC[C@@H]2C[C@H](F)CN2c2cccnn2)c1Cl ZINC000375695384 417006722 /nfs/dbraw/zinc/00/67/22/417006722.db2.gz CCHFOPOZNGKSOJ-IUCAKERBSA-N 1 2 323.763 1.531 10 0 DCAELO Nc1nc[nH+]c(NC[C@@H]2C[C@H](F)CN2c2cccnn2)c1Cl ZINC000375695384 417006734 /nfs/dbraw/zinc/00/67/34/417006734.db2.gz CCHFOPOZNGKSOJ-IUCAKERBSA-N 1 2 323.763 1.531 10 0 DCAELO CCOC(=O)c1cccc([C@H]2C[NH2+]CCN2S(C)(=O)=O)c1 ZINC000616638850 417088588 /nfs/dbraw/zinc/08/85/88/417088588.db2.gz JFKLYWIDCHPOQV-CYBMUJFWSA-N 1 2 312.391 0.769 10 0 DCAELO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000525808619 417154673 /nfs/dbraw/zinc/15/46/73/417154673.db2.gz RNWZCDQZZSRZKJ-CJNGLKHVSA-N 1 2 324.425 0.019 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCCCC(=O)NC3CC3)C[C@@H]21 ZINC000569267974 417233569 /nfs/dbraw/zinc/23/35/69/417233569.db2.gz QXBGSDFGFTUDDH-UONOGXRCSA-N 1 2 324.425 0.160 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCCCC(=O)NC3CC3)C[C@@H]21 ZINC000569267974 417233577 /nfs/dbraw/zinc/23/35/77/417233577.db2.gz QXBGSDFGFTUDDH-UONOGXRCSA-N 1 2 324.425 0.160 10 0 DCAELO CCOC(=O)[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC12COC2 ZINC000452610084 417492620 /nfs/dbraw/zinc/49/26/20/417492620.db2.gz DFLIRJMPAPJJCY-NSHDSACASA-N 1 2 307.350 0.299 10 0 DCAELO C[C@@H](O)CC[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000439013864 287380534 /nfs/dbraw/zinc/38/05/34/287380534.db2.gz YKDFWYGNKIUHLP-GFCCVEGCSA-N 1 2 316.398 0.903 10 0 DCAELO CNC(=O)[C@@H](C)CN(C)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000575824589 417555455 /nfs/dbraw/zinc/55/54/55/417555455.db2.gz UYTCHNXBVARXFT-JTQLQIEISA-N 1 2 317.349 0.113 10 0 DCAELO CCOC(=O)[C@@H]1CN(C(=O)Nc2cc[nH+]c(C)c2)CC12COC2 ZINC000455042192 417591939 /nfs/dbraw/zinc/59/19/39/417591939.db2.gz OIEZDFKDEGFMOL-ZDUSSCGKSA-N 1 2 319.361 0.855 10 0 DCAELO Cn1ncc(Br)c1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628913057 417716661 /nfs/dbraw/zinc/71/66/61/417716661.db2.gz MBWAHCGBJYLMRS-MRVPVSSYSA-N 1 2 317.187 0.243 10 0 DCAELO Cn1ncc(Br)c1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628913057 417716665 /nfs/dbraw/zinc/71/66/65/417716665.db2.gz MBWAHCGBJYLMRS-MRVPVSSYSA-N 1 2 317.187 0.243 10 0 DCAELO CCCc1cc(NC[C@H](O)C[NH+]2CCOCC2)n2ncnc2n1 ZINC000193515456 261142085 /nfs/dbraw/zinc/14/20/85/261142085.db2.gz PUQRDAKYGXZJLK-ZDUSSCGKSA-N 1 2 320.397 0.182 10 0 DCAELO O=C(NC[C@@H](c1cccs1)[NH+]1CCOCC1)[C@H]1CNC(=O)C1 ZINC000194861022 261148206 /nfs/dbraw/zinc/14/82/06/261148206.db2.gz UCMUOHYAEDBQBM-NEPJUHHUSA-N 1 2 323.418 0.374 10 0 DCAELO CC1(C)OC(=O)c2c1ccnc2NC[C@H](O)C[NH+]1CCOCC1 ZINC000363725096 262128751 /nfs/dbraw/zinc/12/87/51/262128751.db2.gz TXSOOHUAZDBASQ-NSHDSACASA-N 1 2 321.377 0.592 10 0 DCAELO COC(=O)[C@H](C1CC1)[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000359610277 271131965 /nfs/dbraw/zinc/13/19/65/271131965.db2.gz MMKOWSLYAARYDB-JQWIXIFHSA-N 1 2 304.412 0.199 10 0 DCAELO COC(=O)[C@H](C1CC1)[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000359610277 271131969 /nfs/dbraw/zinc/13/19/69/271131969.db2.gz MMKOWSLYAARYDB-JQWIXIFHSA-N 1 2 304.412 0.199 10 0 DCAELO Cc1ccc(NC(=O)C(=O)N2CCSC[C@H]2CCO)c(C)[nH+]1 ZINC000442079637 271663942 /nfs/dbraw/zinc/66/39/42/271663942.db2.gz 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288095982 /nfs/dbraw/zinc/09/59/82/288095982.db2.gz JMEZVCOIHGBYKR-LLVKDONJSA-N 1 2 306.414 0.939 10 0 DCAELO Cn1cc(OCC(=O)NCCc2cn3c([nH+]2)CCCC3)cn1 ZINC000548873084 288183527 /nfs/dbraw/zinc/18/35/27/288183527.db2.gz KPEGGWNZYTWHHN-UHFFFAOYSA-N 1 2 303.366 0.691 10 0 DCAELO CC[C@@H]1CN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CCO1 ZINC000557350138 288418085 /nfs/dbraw/zinc/41/80/85/288418085.db2.gz OPYZSBDAALEHMJ-GFCCVEGCSA-N 1 2 302.334 0.910 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@@H]3CCCc4n[nH]cc43)C[C@@H]21 ZINC000284698545 290082572 /nfs/dbraw/zinc/08/25/72/290082572.db2.gz OIDOUVOADNYFHQ-BYCMXARLSA-N 1 2 304.394 0.761 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@@H]3CCCc4n[nH]cc43)C[C@@H]21 ZINC000284698545 290082573 /nfs/dbraw/zinc/08/25/73/290082573.db2.gz OIDOUVOADNYFHQ-BYCMXARLSA-N 1 2 304.394 0.761 10 0 DCAELO CSC[C@H](C)C(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000328654396 533765844 /nfs/dbraw/zinc/76/58/44/533765844.db2.gz XJMMWCHBODWMDB-QWRGUYRKSA-N 1 2 303.428 0.680 10 0 DCAELO CSC[C@H](C)C(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000328654396 533765846 /nfs/dbraw/zinc/76/58/46/533765846.db2.gz XJMMWCHBODWMDB-QWRGUYRKSA-N 1 2 303.428 0.680 10 0 DCAELO C[C@H]1CN(C(=O)c2cc(C(N)=O)cs2)C[C@@H]1[NH+]1CCOCC1 ZINC000266264479 524522389 /nfs/dbraw/zinc/52/23/89/524522389.db2.gz YNGDOGPULLTEMW-JQWIXIFHSA-N 1 2 323.418 0.640 10 0 DCAELO CC(=O)[C@@](C)(O)C[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000330838956 527139201 /nfs/dbraw/zinc/13/92/01/527139201.db2.gz MRZJXMAVJOGNLE-INIZCTEOSA-N 1 2 308.353 0.924 10 0 DCAELO CC(=O)c1ccc(C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1O ZINC000331334753 527244819 /nfs/dbraw/zinc/24/48/19/527244819.db2.gz INPJREPRQRYYOQ-LLVKDONJSA-N 1 2 306.362 0.733 10 0 DCAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C[C@@H](O)COC(C)C)CC1 ZINC000105903372 527631334 /nfs/dbraw/zinc/63/13/34/527631334.db2.gz DVXLVFZLENGCMW-MRXNPFEDSA-N 1 2 324.469 0.940 10 0 DCAELO CC(C)OCCN1CC[NH+](C[C@H](O)CN2CCCC2=O)CC1 ZINC000175291313 527963963 /nfs/dbraw/zinc/96/39/63/527963963.db2.gz QXURHUWSBHZABP-HNNXBMFYSA-N 1 2 313.442 0.012 10 0 DCAELO CCC(=O)N1CCC[C@@H](C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000172743700 528307223 /nfs/dbraw/zinc/30/72/23/528307223.db2.gz GWIGBKLCYSSDBH-HUUCEWRRSA-N 1 2 323.437 0.568 10 0 DCAELO O[C@H](CSc1nnnn1C1CCCC1)C[NH+]1CCOCC1 ZINC000070869650 545663893 /nfs/dbraw/zinc/66/38/93/545663893.db2.gz MEBUOTIMVALZNT-LBPRGKRZSA-N 1 2 313.427 0.573 10 0 DCAELO CCc1ccc(CC(=O)NC[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000132527000 545794179 /nfs/dbraw/zinc/79/41/79/545794179.db2.gz XWVJMXDKWPHPOV-INIZCTEOSA-N 1 2 306.406 0.601 10 0 DCAELO CC[N@@H+]1CCO[C@H](CNS(=O)(=O)c2ccccc2O)C1 ZINC000166175194 545878323 /nfs/dbraw/zinc/87/83/23/545878323.db2.gz WPYYRUFAAWIGNI-LLVKDONJSA-N 1 2 300.380 0.391 10 0 DCAELO CC[N@H+]1CCO[C@H](CNS(=O)(=O)c2ccccc2O)C1 ZINC000166175194 545878327 /nfs/dbraw/zinc/87/83/27/545878327.db2.gz WPYYRUFAAWIGNI-LLVKDONJSA-N 1 2 300.380 0.391 10 0 DCAELO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1coc(Br)c1 ZINC000178626618 545895648 /nfs/dbraw/zinc/89/56/48/545895648.db2.gz GDLPXLISCSOJSJ-SNVBAGLBSA-N 1 2 314.183 0.772 10 0 DCAELO CCOc1cnc(C(=O)N2CC[N@H+](CCOC)[C@@H](C)C2)cn1 ZINC000189660275 545921317 /nfs/dbraw/zinc/92/13/17/545921317.db2.gz VTRSAXBREQKRQR-LBPRGKRZSA-N 1 2 308.382 0.668 10 0 DCAELO CCOc1cnc(C(=O)N2CC[N@@H+](CCOC)[C@@H](C)C2)cn1 ZINC000189660275 545921319 /nfs/dbraw/zinc/92/13/19/545921319.db2.gz VTRSAXBREQKRQR-LBPRGKRZSA-N 1 2 308.382 0.668 10 0 DCAELO Cc1noc(COc2ccc(NC(=O)[C@@H]3COCC[NH2+]3)cc2)n1 ZINC000237691089 545956650 /nfs/dbraw/zinc/95/66/50/545956650.db2.gz SEPSVLHFKFOWHR-ZDUSSCGKSA-N 1 2 318.333 0.884 10 0 DCAELO C[C@H]1CN(S(=O)(=O)N2CCn3cc[nH+]c3C2)C[C@H](C)O1 ZINC000329672294 546054154 /nfs/dbraw/zinc/05/41/54/546054154.db2.gz NMPFCSOSAABJKW-QWRGUYRKSA-N 1 2 300.384 0.053 10 0 DCAELO C[C@H]1C[N@H+](CN2C(=O)C[C@H](Cc3cnn(C)c3)C2=O)CCS1 ZINC000074720011 657873432 /nfs/dbraw/zinc/87/34/32/657873432.db2.gz LMRFDBGBKLFKPT-AAEUAGOBSA-N 1 2 322.434 0.733 10 0 DCAELO C[C@H]1C[N@@H+](CN2C(=O)C[C@H](Cc3cnn(C)c3)C2=O)CCS1 ZINC000074720011 657873435 /nfs/dbraw/zinc/87/34/35/657873435.db2.gz LMRFDBGBKLFKPT-AAEUAGOBSA-N 1 2 322.434 0.733 10 0 DCAELO CC(C)C(=O)N1CCC[C@H]1C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000181616777 665628349 /nfs/dbraw/zinc/62/83/49/665628349.db2.gz OJEALPGAKSMLEE-KGLIPLIRSA-N 1 2 312.410 0.897 10 0 DCAELO C[NH+]1CCN(C(=O)c2cnc(-n3cnnc3)c(Cl)c2)CC1 ZINC000223065100 664399834 /nfs/dbraw/zinc/39/98/34/664399834.db2.gz XNSFIIWFPHSWNY-UHFFFAOYSA-N 1 2 306.757 0.703 10 0 DCAELO Cc1nn(C)c(C)c1C[NH+]1CCN(CN2C[C@H](C)CC2=O)CC1 ZINC000152660252 664768225 /nfs/dbraw/zinc/76/82/25/664768225.db2.gz UQQKAGXCQBMOAB-CYBMUJFWSA-N 1 2 319.453 0.980 10 0 DCAELO C[C@H](CNC(=O)NC[C@@H](O)c1ccsc1)[NH+]1CCOCC1 ZINC000153622145 664924736 /nfs/dbraw/zinc/92/47/36/664924736.db2.gz KDGVDOJMZFVSHZ-DGCLKSJQSA-N 1 2 313.423 0.801 10 0 DCAELO C[NH+](C)Cc1cc(O[C@H]2CCN(Cc3c[nH]nn3)C2)ccn1 ZINC000886088856 667730576 /nfs/dbraw/zinc/73/05/76/667730576.db2.gz ZDIDLBKUVDWBJN-HNNXBMFYSA-N 1 2 302.382 0.915 10 0 DCAELO C[C@@H](c1ccc(F)nc1)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000930330549 668996675 /nfs/dbraw/zinc/99/66/75/668996675.db2.gz ZUMCUFFSEWOMBI-WCQYABFASA-N 1 2 310.373 0.400 10 0 DCAELO C[C@@H](c1ccc(F)nc1)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000930330549 668996679 /nfs/dbraw/zinc/99/66/79/668996679.db2.gz ZUMCUFFSEWOMBI-WCQYABFASA-N 1 2 310.373 0.400 10 0 DCAELO Cn1cc(C[N@@H+]2C[C@@H](O)C[C@]2(C)CO)c(Br)n1 ZINC000714096329 670178530 /nfs/dbraw/zinc/17/85/30/670178530.db2.gz LBWISHYDSIUGBM-GXSJLCMTSA-N 1 2 304.188 0.500 10 0 DCAELO Cn1cc(C[N@H+]2C[C@@H](O)C[C@]2(C)CO)c(Br)n1 ZINC000714096329 670178531 /nfs/dbraw/zinc/17/85/31/670178531.db2.gz LBWISHYDSIUGBM-GXSJLCMTSA-N 1 2 304.188 0.500 10 0 DCAELO CS(=O)(=O)N[C@H]1CC[N@H+](C[C@H](O)c2ccc(F)c(F)c2)C1 ZINC000116892086 671137230 /nfs/dbraw/zinc/13/72/30/671137230.db2.gz QNBSDCMRYVAVCC-GWCFXTLKSA-N 1 2 320.361 0.622 10 0 DCAELO CS(=O)(=O)N[C@H]1CC[N@@H+](C[C@H](O)c2ccc(F)c(F)c2)C1 ZINC000116892086 671137233 /nfs/dbraw/zinc/13/72/33/671137233.db2.gz QNBSDCMRYVAVCC-GWCFXTLKSA-N 1 2 320.361 0.622 10 0 DCAELO Cc1n[nH]cc1S(=O)(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000720485501 685313312 /nfs/dbraw/zinc/31/33/12/685313312.db2.gz VNOJSRLWNKTLHO-GHMZBOCLSA-N 1 2 316.452 0.576 10 0 DCAELO Cc1n[nH]cc1S(=O)(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000720485501 685313317 /nfs/dbraw/zinc/31/33/17/685313317.db2.gz VNOJSRLWNKTLHO-GHMZBOCLSA-N 1 2 316.452 0.576 10 0 DCAELO Cn1nnc(Br)c1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000386740455 685249917 /nfs/dbraw/zinc/24/99/17/685249917.db2.gz CQXSYCDVBLUUNI-UHFFFAOYSA-N 1 2 314.187 0.498 10 0 DCAELO O=S1(=O)CCCN1CC[NH2+]Cc1nc(Br)c[nH]1 ZINC000405339334 774161570 /nfs/dbraw/zinc/16/15/70/774161570.db2.gz MBDNTQGXVFEUDS-UHFFFAOYSA-N 1 2 323.216 0.297 10 0 DCAELO CCNS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)NC(C)(C)CC)C1 ZINC000092843542 185345504 /nfs/dbraw/zinc/34/55/04/185345504.db2.gz CXPJJQIUFRTOCE-LLVKDONJSA-N 1 2 305.444 0.305 10 0 DCAELO CCNS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)NC(C)(C)CC)C1 ZINC000092843542 185345505 /nfs/dbraw/zinc/34/55/05/185345505.db2.gz CXPJJQIUFRTOCE-LLVKDONJSA-N 1 2 305.444 0.305 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cn[nH]c2)nc[nH+]1 ZINC000173426472 198213469 /nfs/dbraw/zinc/21/34/69/198213469.db2.gz OIISWQICJQBFBN-NSHDSACASA-N 1 2 301.354 0.640 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cn[nH]c2)[nH+]cn1 ZINC000173426472 198213472 /nfs/dbraw/zinc/21/34/72/198213472.db2.gz OIISWQICJQBFBN-NSHDSACASA-N 1 2 301.354 0.640 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@@H](C)COC)nc[nH+]1 ZINC000173428116 198213696 /nfs/dbraw/zinc/21/36/96/198213696.db2.gz MJXCJWHRJDMTET-NWDGAFQWSA-N 1 2 307.398 0.886 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@@H](C)COC)[nH+]cn1 ZINC000173428116 198213698 /nfs/dbraw/zinc/21/36/98/198213698.db2.gz MJXCJWHRJDMTET-NWDGAFQWSA-N 1 2 307.398 0.886 10 0 DCAELO C[C@@H]1CN(C(=O)[C@@H](O)c2ccccc2)C[C@H]1[NH+]1CCOCC1 ZINC000179253997 199005570 /nfs/dbraw/zinc/00/55/70/199005570.db2.gz LOPNWQOTPYRGQT-BMFZPTHFSA-N 1 2 304.390 0.899 10 0 DCAELO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)c2c(C)nn(C)c2C)CC1 ZINC000179400872 199029089 /nfs/dbraw/zinc/02/90/89/199029089.db2.gz WMJZMHBOQHHILT-CYBMUJFWSA-N 1 2 322.409 0.135 10 0 DCAELO Cc1cccc(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCO2)c1F ZINC000180587860 199180372 /nfs/dbraw/zinc/18/03/72/199180372.db2.gz WDAUNHDCGGOZKC-NSHDSACASA-N 1 2 309.341 0.519 10 0 DCAELO Cc1cccc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCO2)c1F ZINC000180587860 199180373 /nfs/dbraw/zinc/18/03/73/199180373.db2.gz WDAUNHDCGGOZKC-NSHDSACASA-N 1 2 309.341 0.519 10 0 DCAELO COC(=O)CNC(=O)C[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000180867861 199221036 /nfs/dbraw/zinc/22/10/36/199221036.db2.gz LVGVWAQANBDUGK-LLVKDONJSA-N 1 2 321.381 0.082 10 0 DCAELO COC(=O)CNC(=O)C[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000180867861 199221038 /nfs/dbraw/zinc/22/10/38/199221038.db2.gz LVGVWAQANBDUGK-LLVKDONJSA-N 1 2 321.381 0.082 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)CC2CCCCC2)CC[N@@H+]1CCO ZINC000188731598 237378578 /nfs/dbraw/zinc/37/85/78/237378578.db2.gz OBYSGDGKGRARTK-CYBMUJFWSA-N 1 2 304.456 0.895 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)CC2CCCCC2)CC[N@H+]1CCO ZINC000188731598 237378585 /nfs/dbraw/zinc/37/85/85/237378585.db2.gz OBYSGDGKGRARTK-CYBMUJFWSA-N 1 2 304.456 0.895 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CCC3)CC[N@@H+]1CCO ZINC000188732496 237379514 /nfs/dbraw/zinc/37/95/14/237379514.db2.gz SJUYRINKGOGGLA-CYBMUJFWSA-N 1 2 324.446 0.862 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CCC3)CC[N@H+]1CCO ZINC000188732496 237379516 /nfs/dbraw/zinc/37/95/16/237379516.db2.gz SJUYRINKGOGGLA-CYBMUJFWSA-N 1 2 324.446 0.862 10 0 DCAELO CN(C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C)C(=O)[C@H]1CCCO1 ZINC000281144904 216109155 /nfs/dbraw/zinc/10/91/55/216109155.db2.gz HXPWGTYCSKLOFC-MELADBBJSA-N 1 2 324.400 0.970 10 0 DCAELO CC[C@H]1C[N@H+](CC(=O)NC2CCOCC2)CCN1CC(F)F ZINC000153686706 291208320 /nfs/dbraw/zinc/20/83/20/291208320.db2.gz WMDAZYPJRSUYDL-ZDUSSCGKSA-N 1 2 319.396 0.943 10 0 DCAELO CC[C@H]1C[N@@H+](CC(=O)NC2CCOCC2)CCN1CC(F)F ZINC000153686706 291208321 /nfs/dbraw/zinc/20/83/21/291208321.db2.gz WMDAZYPJRSUYDL-ZDUSSCGKSA-N 1 2 319.396 0.943 10 0 DCAELO CC(C)[C@@H](O)CC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000154701563 291215160 /nfs/dbraw/zinc/21/51/60/291215160.db2.gz ZOURGWJTFGFCEM-OCCSQVGLSA-N 1 2 311.426 0.205 10 0 DCAELO CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C)[nH+]c2C)C1 ZINC000154849444 291216197 /nfs/dbraw/zinc/21/61/97/291216197.db2.gz UZIQVPWELNOLAP-ZDUSSCGKSA-N 1 2 318.377 0.764 10 0 DCAELO Cc1n[nH]cc1CNC(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000276571105 238325047 /nfs/dbraw/zinc/32/50/47/238325047.db2.gz TUOWVZYSAXLEQG-OAHLLOKOSA-N 1 2 321.425 0.970 10 0 DCAELO Cc1n[nH]cc1CNC(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000276571105 238325051 /nfs/dbraw/zinc/32/50/51/238325051.db2.gz TUOWVZYSAXLEQG-OAHLLOKOSA-N 1 2 321.425 0.970 10 0 DCAELO Cc1ccn2c(C[N@@H+]3CC[C@H](NS(C)(=O)=O)C3)cnc2c1 ZINC000093531033 193265179 /nfs/dbraw/zinc/26/51/79/193265179.db2.gz UYXNCRGPBOJSCB-LBPRGKRZSA-N 1 2 308.407 0.766 10 0 DCAELO Cc1ccn2c(C[N@H+]3CC[C@H](NS(C)(=O)=O)C3)cnc2c1 ZINC000093531033 193265180 /nfs/dbraw/zinc/26/51/80/193265180.db2.gz UYXNCRGPBOJSCB-LBPRGKRZSA-N 1 2 308.407 0.766 10 0 DCAELO C[C@H]1CN(C(=O)c2cnn3cccnc23)C[C@H]1[NH+]1CCOCC1 ZINC000266109346 205103157 /nfs/dbraw/zinc/10/31/57/205103157.db2.gz AHLAOUGZDANORZ-GXTWGEPZSA-N 1 2 315.377 0.522 10 0 DCAELO CCN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000072712882 284356639 /nfs/dbraw/zinc/35/66/39/284356639.db2.gz NNLFPKLNBKIFJU-CYBMUJFWSA-N 1 2 305.444 0.370 10 0 DCAELO C[C@@H]1C(=O)NCCC[N@H+]1CCN1C(=O)NC2(CCCC2)C1=O ZINC000189297583 296260291 /nfs/dbraw/zinc/26/02/91/296260291.db2.gz KDKNWGGPRLNTJT-LLVKDONJSA-N 1 2 308.382 0.061 10 0 DCAELO C[C@@H]1C(=O)NCCC[N@@H+]1CCN1C(=O)NC2(CCCC2)C1=O ZINC000189297583 296260293 /nfs/dbraw/zinc/26/02/93/296260293.db2.gz KDKNWGGPRLNTJT-LLVKDONJSA-N 1 2 308.382 0.061 10 0 DCAELO O=C(c1ccc2nccnc2n1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000333452071 284694406 /nfs/dbraw/zinc/69/44/06/284694406.db2.gz NTHNXDYJEMOIQM-GFCCVEGCSA-N 1 2 313.361 0.572 10 0 DCAELO Cc1cnn([C@@H]2CCC[N@@H+](Cc3nc(N)nc(N(C)C)n3)C2)c1 ZINC000106222800 194191514 /nfs/dbraw/zinc/19/15/14/194191514.db2.gz SGLJUIYVHVIWAY-GFCCVEGCSA-N 1 2 316.413 0.862 10 0 DCAELO Cc1cnn([C@@H]2CCC[N@H+](Cc3nc(N)nc(N(C)C)n3)C2)c1 ZINC000106222800 194191516 /nfs/dbraw/zinc/19/15/16/194191516.db2.gz SGLJUIYVHVIWAY-GFCCVEGCSA-N 1 2 316.413 0.862 10 0 DCAELO COc1cncnc1NC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000297345304 533155265 /nfs/dbraw/zinc/15/52/65/533155265.db2.gz FKPPWHNIHDQDPU-VXGBXAGGSA-N 1 2 321.381 0.670 10 0 DCAELO C[C@H]1CN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC(=O)N1C ZINC000283577594 131004785 /nfs/dbraw/zinc/00/47/85/131004785.db2.gz QWMUSUUARZCOEA-STQMWFEESA-N 1 2 319.409 0.495 10 0 DCAELO C[C@H]1CN(c2cc(N3CCCC[C@H]3CO)nc[nH+]2)CC(=O)N1C ZINC000283577594 131004786 /nfs/dbraw/zinc/00/47/86/131004786.db2.gz QWMUSUUARZCOEA-STQMWFEESA-N 1 2 319.409 0.495 10 0 DCAELO C[C@@H]1CN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC(=O)N1C ZINC000283577589 131005071 /nfs/dbraw/zinc/00/50/71/131005071.db2.gz QWMUSUUARZCOEA-OLZOCXBDSA-N 1 2 319.409 0.495 10 0 DCAELO C[C@@H]1CN(c2cc(N3CCCC[C@H]3CO)nc[nH+]2)CC(=O)N1C ZINC000283577589 131005073 /nfs/dbraw/zinc/00/50/73/131005073.db2.gz QWMUSUUARZCOEA-OLZOCXBDSA-N 1 2 319.409 0.495 10 0 DCAELO Cc1cc(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)n(C)n1 ZINC000283803871 131025174 /nfs/dbraw/zinc/02/51/74/131025174.db2.gz BJCLGVJHXWYRGP-KBPBESRZSA-N 1 2 307.398 0.343 10 0 DCAELO Cc1cc(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)n(C)n1 ZINC000283803871 131025176 /nfs/dbraw/zinc/02/51/76/131025176.db2.gz BJCLGVJHXWYRGP-KBPBESRZSA-N 1 2 307.398 0.343 10 0 DCAELO CCc1nnc(C)cc1C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000283858317 131029832 /nfs/dbraw/zinc/02/98/32/131029832.db2.gz BOIZREOELCMICE-CABCVRRESA-N 1 2 304.394 0.893 10 0 DCAELO CCc1nnc(C)cc1C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000283858317 131029833 /nfs/dbraw/zinc/02/98/33/131029833.db2.gz BOIZREOELCMICE-CABCVRRESA-N 1 2 304.394 0.893 10 0 DCAELO C[C@H](Oc1cccnc1)C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000283966523 131037050 /nfs/dbraw/zinc/03/70/50/131037050.db2.gz GSATWYODYUXCSE-CFVMTHIKSA-N 1 2 305.378 0.780 10 0 DCAELO C[C@H](Oc1cccnc1)C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000283966523 131037052 /nfs/dbraw/zinc/03/70/52/131037052.db2.gz GSATWYODYUXCSE-CFVMTHIKSA-N 1 2 305.378 0.780 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cn4ccccc4n3)C[C@H]21 ZINC000284157442 131053967 /nfs/dbraw/zinc/05/39/67/131053967.db2.gz QSOAKLQPAWLYCO-ZIAGYGMSSA-N 1 2 300.362 0.879 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cn4ccccc4n3)C[C@H]21 ZINC000284157442 131053968 /nfs/dbraw/zinc/05/39/68/131053968.db2.gz QSOAKLQPAWLYCO-ZIAGYGMSSA-N 1 2 300.362 0.879 10 0 DCAELO C[C@H]1CN(C(=O)COCc2ccnn2C)C[C@@H]1[NH+]1CCOCC1 ZINC000284238987 131061981 /nfs/dbraw/zinc/06/19/81/131061981.db2.gz FMSAPTRRLNUHPN-ZFWWWQNUSA-N 1 2 322.409 0.116 10 0 DCAELO CN(C)C(=O)c1cc(S(=O)(=O)Nc2cc[nH+]cc2)cn1C ZINC000089266042 395709252 /nfs/dbraw/zinc/70/92/52/395709252.db2.gz DPOLBKLMUYINJM-UHFFFAOYSA-N 1 2 308.363 0.923 10 0 DCAELO Cc1ccccc1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000041600501 395737997 /nfs/dbraw/zinc/73/79/97/395737997.db2.gz MNMZULJNYHSZJZ-CYBMUJFWSA-N 1 2 305.378 0.770 10 0 DCAELO CCOc1ccccc1OCC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000194632532 395802890 /nfs/dbraw/zinc/80/28/90/395802890.db2.gz GBSHYVHPANRLSE-ZDUSSCGKSA-N 1 2 308.378 0.911 10 0 DCAELO CCOc1ccccc1OCC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000194632532 395802892 /nfs/dbraw/zinc/80/28/92/395802892.db2.gz GBSHYVHPANRLSE-ZDUSSCGKSA-N 1 2 308.378 0.911 10 0 DCAELO CCn1cnnc1C1CC[NH+](CC(=O)Nc2nncs2)CC1 ZINC000112345805 395816300 /nfs/dbraw/zinc/81/63/00/395816300.db2.gz ALJZOPOFXSROPU-UHFFFAOYSA-N 1 2 321.410 0.968 10 0 DCAELO Cn1cc(C(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000195172002 395819317 /nfs/dbraw/zinc/81/93/17/395819317.db2.gz GGCBYCUFFBHRMI-UHFFFAOYSA-N 1 2 313.361 0.783 10 0 DCAELO O=C(N[C@@H]1CCc2ncnn2C1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000112647158 395820246 /nfs/dbraw/zinc/82/02/46/395820246.db2.gz HFIXQZXAAMBUSQ-GFCCVEGCSA-N 1 2 309.333 0.604 10 0 DCAELO Cc1c([C@H](C)NC(=O)NC[C@H](C)[NH+]2CCOCC2)cnn1C ZINC000049130619 395828348 /nfs/dbraw/zinc/82/83/48/395828348.db2.gz IKLNYHSTVBBWJI-RYUDHWBXSA-N 1 2 309.414 0.809 10 0 DCAELO O=C(C[N@@H+]1CCCC[C@H]1c1cn[nH]c1)NCC(=O)N1CCCC1 ZINC000114203074 395832991 /nfs/dbraw/zinc/83/29/91/395832991.db2.gz XEQIPDLIPJRTLA-AWEZNQCLSA-N 1 2 319.409 0.675 10 0 DCAELO O=C(C[N@H+]1CCCC[C@H]1c1cn[nH]c1)NCC(=O)N1CCCC1 ZINC000114203074 395832994 /nfs/dbraw/zinc/83/29/94/395832994.db2.gz XEQIPDLIPJRTLA-AWEZNQCLSA-N 1 2 319.409 0.675 10 0 DCAELO COC(=O)[C@H]1CCN(C(=O)OC)[C@@H](C[NH+]2CCOCC2)C1 ZINC000115751780 395841580 /nfs/dbraw/zinc/84/15/80/395841580.db2.gz XZORBTZSAQESOC-NWDGAFQWSA-N 1 2 300.355 0.339 10 0 DCAELO COC(=O)[C@H]1CCN(C(=O)OC)[C@H](C[NH+]2CCOCC2)C1 ZINC000115751784 395841595 /nfs/dbraw/zinc/84/15/95/395841595.db2.gz XZORBTZSAQESOC-RYUDHWBXSA-N 1 2 300.355 0.339 10 0 DCAELO CCOCC[N@@H+]1CCN(C(=O)C(=O)c2cnn(C)c2)C[C@H]1CC ZINC000116769919 395845682 /nfs/dbraw/zinc/84/56/82/395845682.db2.gz HSWUGWZPGVMZMK-CQSZACIVSA-N 1 2 322.409 0.562 10 0 DCAELO CCOCC[N@H+]1CCN(C(=O)C(=O)c2cnn(C)c2)C[C@H]1CC ZINC000116769919 395845683 /nfs/dbraw/zinc/84/56/83/395845683.db2.gz HSWUGWZPGVMZMK-CQSZACIVSA-N 1 2 322.409 0.562 10 0 DCAELO COC(=O)[C@@H]1CCC[C@H](C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000245418224 395928994 /nfs/dbraw/zinc/92/89/94/395928994.db2.gz AMILQAXINLSALW-GUTXKFCHSA-N 1 2 324.421 0.945 10 0 DCAELO COC(=O)[C@@H]1CCC[C@H](C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000245418224 395928997 /nfs/dbraw/zinc/92/89/97/395928997.db2.gz AMILQAXINLSALW-GUTXKFCHSA-N 1 2 324.421 0.945 10 0 DCAELO CS(=O)(=O)NCC[N@@H+]1C[C@@H](O)C[C@H]1c1ccc(F)cc1 ZINC000225515515 395861586 /nfs/dbraw/zinc/86/15/86/395861586.db2.gz MNBUYJAAKXPWJJ-STQMWFEESA-N 1 2 302.371 0.483 10 0 DCAELO CS(=O)(=O)NCC[N@H+]1C[C@@H](O)C[C@H]1c1ccc(F)cc1 ZINC000225515515 395861587 /nfs/dbraw/zinc/86/15/87/395861587.db2.gz MNBUYJAAKXPWJJ-STQMWFEESA-N 1 2 302.371 0.483 10 0 DCAELO CN1C[C@@H](Nc2cc(N3CCC[C@H]3CO)nc[nH+]2)CCC1=O ZINC000246655968 395955421 /nfs/dbraw/zinc/95/54/21/395955421.db2.gz JVOWMROIVWBRLH-RYUDHWBXSA-N 1 2 305.382 0.470 10 0 DCAELO CN1C[C@@H](Nc2cc(N3CCC[C@H]3CO)[nH+]cn2)CCC1=O ZINC000246655968 395955425 /nfs/dbraw/zinc/95/54/25/395955425.db2.gz JVOWMROIVWBRLH-RYUDHWBXSA-N 1 2 305.382 0.470 10 0 DCAELO CS(=O)(=O)N[C@@H]1CC[N@H+](C[C@@H](O)c2cc(F)ccc2F)C1 ZINC000247175255 395967449 /nfs/dbraw/zinc/96/74/49/395967449.db2.gz RNKGKSKWBPSSOL-ZWNOBZJWSA-N 1 2 320.361 0.622 10 0 DCAELO CS(=O)(=O)N[C@@H]1CC[N@@H+](C[C@@H](O)c2cc(F)ccc2F)C1 ZINC000247175255 395967453 /nfs/dbraw/zinc/96/74/53/395967453.db2.gz RNKGKSKWBPSSOL-ZWNOBZJWSA-N 1 2 320.361 0.622 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCCC[C@H]2c2ncc[nH]2)C1 ZINC000247734280 395978049 /nfs/dbraw/zinc/97/80/49/395978049.db2.gz MNWQSGBQURXRQC-STQMWFEESA-N 1 2 307.398 0.977 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)N2CCCC[C@H]2c2ncc[nH]2)C1 ZINC000247734280 395978050 /nfs/dbraw/zinc/97/80/50/395978050.db2.gz MNWQSGBQURXRQC-STQMWFEESA-N 1 2 307.398 0.977 10 0 DCAELO CN(C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C)C(=O)c1cc[nH]n1 ZINC000275536275 395985260 /nfs/dbraw/zinc/98/52/60/395985260.db2.gz DEOPUWLDAVCPCZ-RYUDHWBXSA-N 1 2 320.372 0.828 10 0 DCAELO CCC[C@H](NC(N)=O)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000064290427 395985609 /nfs/dbraw/zinc/98/56/09/395985609.db2.gz UGCNCXNHFQFDOV-LBPRGKRZSA-N 1 2 316.365 0.721 10 0 DCAELO CCCNC(=O)CN1CCN(c2nccn3c[nH+]cc23)CC1 ZINC000065240116 395991631 /nfs/dbraw/zinc/99/16/31/395991631.db2.gz WLAGBLUCXWGKDV-UHFFFAOYSA-N 1 2 302.382 0.378 10 0 DCAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)NC[C@@](C)(O)CSC ZINC000248654294 395992956 /nfs/dbraw/zinc/99/29/56/395992956.db2.gz ZJKSAPHLJIXGRH-GXTWGEPZSA-N 1 2 304.456 0.718 10 0 DCAELO CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@@](C)(O)CSC ZINC000248654294 395992959 /nfs/dbraw/zinc/99/29/59/395992959.db2.gz ZJKSAPHLJIXGRH-GXTWGEPZSA-N 1 2 304.456 0.718 10 0 DCAELO Cc1ccc(OCC(=O)NC[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000154133295 396032114 /nfs/dbraw/zinc/03/21/14/396032114.db2.gz DPAYPYXHOCAFKW-AWEZNQCLSA-N 1 2 308.378 0.183 10 0 DCAELO O=C(CCc1ccc(F)cc1)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000154151679 396033106 /nfs/dbraw/zinc/03/31/06/396033106.db2.gz ACHXXCIKFGZOAE-OAHLLOKOSA-N 1 2 310.369 0.568 10 0 DCAELO COc1ccccc1NCC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000068396223 396055118 /nfs/dbraw/zinc/05/51/18/396055118.db2.gz ZOVJIVLBFFGRCX-CYBMUJFWSA-N 1 2 307.394 0.944 10 0 DCAELO C[S@@](=O)CCC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000155790502 396057516 /nfs/dbraw/zinc/05/75/16/396057516.db2.gz IHUMPHNKXMOREM-XCLFUZPHSA-N 1 2 302.440 0.468 10 0 DCAELO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCO[C@@H](C(N)=O)C1)c1ccccc1 ZINC000250523211 396015156 /nfs/dbraw/zinc/01/51/56/396015156.db2.gz OTASNRLTKJJSTP-SGMGOOAPSA-N 1 2 305.378 0.438 10 0 DCAELO C[C@H](NC(=O)[C@H](C)[N@H+]1CCO[C@@H](C(N)=O)C1)c1ccccc1 ZINC000250523211 396015159 /nfs/dbraw/zinc/01/51/59/396015159.db2.gz OTASNRLTKJJSTP-SGMGOOAPSA-N 1 2 305.378 0.438 10 0 DCAELO C[N@@H+]1CCC[C@H]1c1nc(C2CN(C(=O)c3cc[nH]n3)C2)no1 ZINC000169782881 396092011 /nfs/dbraw/zinc/09/20/11/396092011.db2.gz IUDUIKWENNXFTH-NSHDSACASA-N 1 2 302.338 0.799 10 0 DCAELO C[N@H+]1CCC[C@H]1c1nc(C2CN(C(=O)c3cc[nH]n3)C2)no1 ZINC000169782881 396092015 /nfs/dbraw/zinc/09/20/15/396092015.db2.gz IUDUIKWENNXFTH-NSHDSACASA-N 1 2 302.338 0.799 10 0 DCAELO C[N@@H+]1CCC[C@H]1c1nc(C2CN(C(=O)c3ccn[nH]3)C2)no1 ZINC000169782881 396092019 /nfs/dbraw/zinc/09/20/19/396092019.db2.gz IUDUIKWENNXFTH-NSHDSACASA-N 1 2 302.338 0.799 10 0 DCAELO C[N@H+]1CCC[C@H]1c1nc(C2CN(C(=O)c3ccn[nH]3)C2)no1 ZINC000169782881 396092023 /nfs/dbraw/zinc/09/20/23/396092023.db2.gz IUDUIKWENNXFTH-NSHDSACASA-N 1 2 302.338 0.799 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(-c3cccnc3)on2)C1 ZINC000171287591 396112779 /nfs/dbraw/zinc/11/27/79/396112779.db2.gz GOIXHNCWGHPRPI-LBPRGKRZSA-N 1 2 302.334 0.797 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)c2cc(-c3cccnc3)on2)C1 ZINC000171287591 396112783 /nfs/dbraw/zinc/11/27/83/396112783.db2.gz GOIXHNCWGHPRPI-LBPRGKRZSA-N 1 2 302.334 0.797 10 0 DCAELO O=C(c1ccc(N2CCCC2)nn1)N1CC[NH+](C2CC2)CC1 ZINC000171300026 396113869 /nfs/dbraw/zinc/11/38/69/396113869.db2.gz FRUDAFJBXSHGGB-UHFFFAOYSA-N 1 2 301.394 0.997 10 0 DCAELO C[C@H](C(=O)N1CCCCC1)[NH+]1CCN(c2cccnn2)CC1 ZINC000171351065 396115443 /nfs/dbraw/zinc/11/54/43/396115443.db2.gz FHPOCJXFSZJZQL-CQSZACIVSA-N 1 2 303.410 1.000 10 0 DCAELO Cc1cccc2nc(CNC(=O)NC[C@H]3C[N@H+](C)CCO3)cn21 ZINC000171741491 396124309 /nfs/dbraw/zinc/12/43/09/396124309.db2.gz DWJBQRZSFHFDKL-AWEZNQCLSA-N 1 2 317.393 0.773 10 0 DCAELO Cc1cccc2nc(CNC(=O)NC[C@H]3C[N@@H+](C)CCO3)cn21 ZINC000171741491 396124312 /nfs/dbraw/zinc/12/43/12/396124312.db2.gz DWJBQRZSFHFDKL-AWEZNQCLSA-N 1 2 317.393 0.773 10 0 DCAELO CC(=O)N1CC[NH+](CCNC(=O)c2c[nH]nc2C(C)C)CC1 ZINC000277714026 396083264 /nfs/dbraw/zinc/08/32/64/396083264.db2.gz IYDLSIJSQUJGKF-UHFFFAOYSA-N 1 2 307.398 0.427 10 0 DCAELO CC(C)c1nnc2n1C[C@H](NC(=O)[C@H]1CC(F)(F)C[NH2+]1)CC2 ZINC000263244783 396208403 /nfs/dbraw/zinc/20/84/03/396208403.db2.gz PDNDYQPHKFPHPE-NXEZZACHSA-N 1 2 313.352 0.830 10 0 DCAELO CS(=O)(=O)CC1(CC(=O)N2CCC[N@@H+](C3CC3)CC2)CC1 ZINC000176686402 396158895 /nfs/dbraw/zinc/15/88/95/396158895.db2.gz ITKDBWCGWNUTPO-UHFFFAOYSA-N 1 2 314.451 0.898 10 0 DCAELO CS(=O)(=O)CC1(CC(=O)N2CCC[N@H+](C3CC3)CC2)CC1 ZINC000176686402 396158899 /nfs/dbraw/zinc/15/88/99/396158899.db2.gz ITKDBWCGWNUTPO-UHFFFAOYSA-N 1 2 314.451 0.898 10 0 DCAELO O=C(N[C@H]1CCCN(c2cccnn2)C1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263311355 396212503 /nfs/dbraw/zinc/21/25/03/396212503.db2.gz YSRVALJLSMPBJN-QWRGUYRKSA-N 1 2 311.336 0.559 10 0 DCAELO O=C(N[C@@H]1CCN(c2ccccc2)C1=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263171295 396204296 /nfs/dbraw/zinc/20/42/96/396204296.db2.gz FTBRQQIMXYZVTL-VXGBXAGGSA-N 1 2 309.316 0.905 10 0 DCAELO COCCN(C)S(=O)(=O)NCc1[nH+]ccn1CC(C)C ZINC000182419299 396250748 /nfs/dbraw/zinc/25/07/48/396250748.db2.gz OBSUQIAFRBGFJW-UHFFFAOYSA-N 1 2 304.416 0.452 10 0 DCAELO O=C(NC[C@@H]1CCCN1c1cccnn1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263313962 396213748 /nfs/dbraw/zinc/21/37/48/396213748.db2.gz ZEKGYPMVBALXOP-QWRGUYRKSA-N 1 2 311.336 0.559 10 0 DCAELO COc1ccc(-c2noc(C[N@@H+]3C[C@H](O)C[C@@H]3CO)n2)cc1 ZINC000179171861 396223478 /nfs/dbraw/zinc/22/34/78/396223478.db2.gz SLKMKSRGMDQKLC-VXGBXAGGSA-N 1 2 305.334 0.673 10 0 DCAELO COc1ccc(-c2noc(C[N@H+]3C[C@H](O)C[C@@H]3CO)n2)cc1 ZINC000179171861 396223479 /nfs/dbraw/zinc/22/34/79/396223479.db2.gz SLKMKSRGMDQKLC-VXGBXAGGSA-N 1 2 305.334 0.673 10 0 DCAELO C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1)[C@H](C)CO ZINC000077771935 396232718 /nfs/dbraw/zinc/23/27/18/396232718.db2.gz PJBKZKPYBGGPBY-CHWSQXEVSA-N 1 2 322.409 0.734 10 0 DCAELO COc1ccc(CNC(=O)C[N@@H+]2CCO[C@]3(CCOC3)C2)cc1 ZINC000185175277 396320453 /nfs/dbraw/zinc/32/04/53/396320453.db2.gz QKXIMRWHZSOQOE-QGZVFWFLSA-N 1 2 320.389 0.803 10 0 DCAELO COc1ccc(CNC(=O)C[N@H+]2CCO[C@]3(CCOC3)C2)cc1 ZINC000185175277 396320455 /nfs/dbraw/zinc/32/04/55/396320455.db2.gz QKXIMRWHZSOQOE-QGZVFWFLSA-N 1 2 320.389 0.803 10 0 DCAELO C[C@H]1CN(C(=O)CCCCc2c[nH]nn2)C[C@H]1[NH+]1CCOCC1 ZINC000184829643 396308119 /nfs/dbraw/zinc/30/81/19/396308119.db2.gz DXMLXQZKDGHKAI-DZGCQCFKSA-N 1 2 321.425 0.697 10 0 DCAELO C[C@H]1CN(C(=O)CCCCc2cn[nH]n2)C[C@H]1[NH+]1CCOCC1 ZINC000184829643 396308120 /nfs/dbraw/zinc/30/81/20/396308120.db2.gz DXMLXQZKDGHKAI-DZGCQCFKSA-N 1 2 321.425 0.697 10 0 DCAELO C[C@@H]1CN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)CC(=O)N1C ZINC000283684048 396343241 /nfs/dbraw/zinc/34/32/41/396343241.db2.gz ZLKNKHUSGNVTJK-VXGBXAGGSA-N 1 2 305.382 0.105 10 0 DCAELO C[C@@H]1CN(c2cc(N3CCC[C@@H]3CO)nc[nH+]2)CC(=O)N1C ZINC000283684048 396343243 /nfs/dbraw/zinc/34/32/43/396343243.db2.gz ZLKNKHUSGNVTJK-VXGBXAGGSA-N 1 2 305.382 0.105 10 0 DCAELO Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C)on1 ZINC000285962633 396366096 /nfs/dbraw/zinc/36/60/96/396366096.db2.gz NNHZGDSAOUOTPN-MXWKQRLJSA-N 1 2 307.354 0.408 10 0 DCAELO Cc1cc(NC(=O)[C@@H](C)[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C)on1 ZINC000285962633 396366100 /nfs/dbraw/zinc/36/61/00/396366100.db2.gz NNHZGDSAOUOTPN-MXWKQRLJSA-N 1 2 307.354 0.408 10 0 DCAELO CCOCCNC(=O)C[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189728683 396398108 /nfs/dbraw/zinc/39/81/08/396398108.db2.gz VNKLSYLFNRLNGI-UHFFFAOYSA-N 1 2 321.425 0.562 10 0 DCAELO Cc1ccc(-n2nnnc2NC[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000269314121 396406767 /nfs/dbraw/zinc/40/67/67/396406767.db2.gz FATFRCLPACDWQE-AWEZNQCLSA-N 1 2 318.381 0.076 10 0 DCAELO CCCC[C@H](C(=O)OC)[N@@H+]1CCCN(CCOC)C(=O)C1 ZINC000190784114 396411249 /nfs/dbraw/zinc/41/12/49/396411249.db2.gz XDKMVJAHTFVQRQ-CYBMUJFWSA-N 1 2 300.399 0.899 10 0 DCAELO CCCC[C@H](C(=O)OC)[N@H+]1CCCN(CCOC)C(=O)C1 ZINC000190784114 396411250 /nfs/dbraw/zinc/41/12/50/396411250.db2.gz XDKMVJAHTFVQRQ-CYBMUJFWSA-N 1 2 300.399 0.899 10 0 DCAELO FC(F)(F)Cn1nnnc1CN1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000190915990 396413441 /nfs/dbraw/zinc/41/34/41/396413441.db2.gz LSSYTDVRPYJUOP-SNVBAGLBSA-N 1 2 320.319 0.142 10 0 DCAELO CN1CCC[N@H+](CC(=O)NC(=O)NC2CCCCC2)CC1=O ZINC000191071346 396415002 /nfs/dbraw/zinc/41/50/02/396415002.db2.gz LIURBJYEZYOMCT-UHFFFAOYSA-N 1 2 310.398 0.309 10 0 DCAELO CN1CCC[N@@H+](CC(=O)NC(=O)NC2CCCCC2)CC1=O ZINC000191071346 396415007 /nfs/dbraw/zinc/41/50/07/396415007.db2.gz LIURBJYEZYOMCT-UHFFFAOYSA-N 1 2 310.398 0.309 10 0 DCAELO COc1ccccc1CNC(=O)C[N@@H+]1CCCN(C)C(=O)C1 ZINC000191085528 396415099 /nfs/dbraw/zinc/41/50/99/396415099.db2.gz MGMRXJLWOPXPOM-UHFFFAOYSA-N 1 2 305.378 0.476 10 0 DCAELO COc1ccccc1CNC(=O)C[N@H+]1CCCN(C)C(=O)C1 ZINC000191085528 396415101 /nfs/dbraw/zinc/41/51/01/396415101.db2.gz MGMRXJLWOPXPOM-UHFFFAOYSA-N 1 2 305.378 0.476 10 0 DCAELO COc1ccnc(NC2CC[NH+](Cc3nccc(N)n3)CC2)n1 ZINC000192866600 396439841 /nfs/dbraw/zinc/43/98/41/396439841.db2.gz DRDTUNGZXGSGRF-UHFFFAOYSA-N 1 2 315.381 0.934 10 0 DCAELO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cn2cccnc2n1 ZINC000581877429 396588443 /nfs/dbraw/zinc/58/84/43/396588443.db2.gz MDQOXNYWJUUMKQ-LBPRGKRZSA-N 1 2 303.366 0.522 10 0 DCAELO CO[C@@H]1CC[C@@H](NC(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)C1 ZINC000562304270 396656335 /nfs/dbraw/zinc/65/63/35/396656335.db2.gz XCKSOCDDGXWBHC-HUUCEWRRSA-N 1 2 321.425 0.815 10 0 DCAELO CN1CCN(c2cc(NCC[C@@H]3CCCO3)[nH+]cn2)CC1=O ZINC000302221074 396718049 /nfs/dbraw/zinc/71/80/49/396718049.db2.gz NMMUKHNDNVHBBG-LBPRGKRZSA-N 1 2 305.382 0.736 10 0 DCAELO CN1CCN(c2cc(NCC[C@@H]3CCCO3)nc[nH+]2)CC1=O ZINC000302221074 396718050 /nfs/dbraw/zinc/71/80/50/396718050.db2.gz NMMUKHNDNVHBBG-LBPRGKRZSA-N 1 2 305.382 0.736 10 0 DCAELO CN1CC[C@@H](C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)CC1=O ZINC000374378147 396659080 /nfs/dbraw/zinc/65/90/80/396659080.db2.gz QBPDAGNRJIIEOX-ZIAGYGMSSA-N 1 2 302.378 0.423 10 0 DCAELO Cc1nc(S(=O)(=O)NC[C@H]2CCn3cc[nH+]c3C2)cn1C ZINC000328630043 396827416 /nfs/dbraw/zinc/82/74/16/396827416.db2.gz PKHJKVGGJLQIHJ-NSHDSACASA-N 1 2 309.395 0.466 10 0 DCAELO CCCc1cc(C(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)[nH]n1 ZINC000328642198 396829137 /nfs/dbraw/zinc/82/91/37/396829137.db2.gz QYUQKSXOJCCXRO-LBPRGKRZSA-N 1 2 323.397 0.670 10 0 DCAELO CCCc1cc(C(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)[nH]n1 ZINC000328642198 396829142 /nfs/dbraw/zinc/82/91/42/396829142.db2.gz QYUQKSXOJCCXRO-LBPRGKRZSA-N 1 2 323.397 0.670 10 0 DCAELO CCCc1cc(C(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)n[nH]1 ZINC000328642198 396829145 /nfs/dbraw/zinc/82/91/45/396829145.db2.gz QYUQKSXOJCCXRO-LBPRGKRZSA-N 1 2 323.397 0.670 10 0 DCAELO CCCc1cc(C(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)n[nH]1 ZINC000328642198 396829149 /nfs/dbraw/zinc/82/91/49/396829149.db2.gz QYUQKSXOJCCXRO-LBPRGKRZSA-N 1 2 323.397 0.670 10 0 DCAELO O=C(C[N@@H+]1CCN2C(=O)CC[C@@H]2C1)N1CCO[C@H]2CCCC[C@H]21 ZINC000329047031 396837727 /nfs/dbraw/zinc/83/77/27/396837727.db2.gz QECFBJZWQKOPDK-KFWWJZLASA-N 1 2 321.421 0.463 10 0 DCAELO O=C(C[N@H+]1CCN2C(=O)CC[C@@H]2C1)N1CCO[C@H]2CCCC[C@H]21 ZINC000329047031 396837735 /nfs/dbraw/zinc/83/77/35/396837735.db2.gz QECFBJZWQKOPDK-KFWWJZLASA-N 1 2 321.421 0.463 10 0 DCAELO O=C(N[C@@H]1CCO[C@H]1C1CC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000332759522 396891523 /nfs/dbraw/zinc/89/15/23/396891523.db2.gz UYCZHTWPWWVJMK-KFWWJZLASA-N 1 2 309.410 0.670 10 0 DCAELO O=C([C@@H]1CCCCS1(=O)=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000407965936 397339910 /nfs/dbraw/zinc/33/99/10/397339910.db2.gz MJNJEEPSQSVWLL-KGLIPLIRSA-N 1 2 323.418 0.522 10 0 DCAELO O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N1CCSC[C@@H]1CO ZINC000577573583 397342683 /nfs/dbraw/zinc/34/26/83/397342683.db2.gz MCFOUCOIRCEZCT-NSHDSACASA-N 1 2 320.374 0.209 10 0 DCAELO Cn1cccc1-c1nnc(N2CC[C@@H]([NH+]3CCOCC3)C2)n1C ZINC000407971530 397342689 /nfs/dbraw/zinc/34/26/89/397342689.db2.gz BSVZQDVDZYSYGU-CYBMUJFWSA-N 1 2 316.409 0.732 10 0 DCAELO CO[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1(C)C ZINC000578675264 397470923 /nfs/dbraw/zinc/47/09/23/397470923.db2.gz XXPDDMOSKQDKLP-QWHCGFSZSA-N 1 2 309.410 0.223 10 0 DCAELO CCOC(=O)c1ncc(C[N@@H+]2C[C@@H](OC)C[C@H]2CO)s1 ZINC000602828944 397496646 /nfs/dbraw/zinc/49/66/46/397496646.db2.gz RINKSURIPVAAJX-UWVGGRQHSA-N 1 2 300.380 0.901 10 0 DCAELO CCOC(=O)c1ncc(C[N@H+]2C[C@@H](OC)C[C@H]2CO)s1 ZINC000602828944 397496648 /nfs/dbraw/zinc/49/66/48/397496648.db2.gz RINKSURIPVAAJX-UWVGGRQHSA-N 1 2 300.380 0.901 10 0 DCAELO CC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc3[nH+]ccn3c2)C1=O ZINC000606198564 397678385 /nfs/dbraw/zinc/67/83/85/397678385.db2.gz LHRKABUFMSBJRL-OAHLLOKOSA-N 1 2 315.333 0.993 10 0 DCAELO c1cn(-c2cc(N3CCN(c4cccnn4)CC3)ncn2)c[nH+]1 ZINC000607145954 397697341 /nfs/dbraw/zinc/69/73/41/397697341.db2.gz HYIIQBVWVCNOSX-UHFFFAOYSA-N 1 2 308.349 0.779 10 0 DCAELO COc1ccc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)nn1 ZINC000078189470 286273305 /nfs/dbraw/zinc/27/33/05/286273305.db2.gz PEPWKNUIEPMJPC-CYBMUJFWSA-N 1 2 320.393 0.812 10 0 DCAELO O=C(C[N@@H+]1CCNC(=O)CC1)Nc1cccc2nsnc21 ZINC000054258061 158019365 /nfs/dbraw/zinc/01/93/65/158019365.db2.gz RMZZCIJHNJQTBN-UHFFFAOYSA-N 1 2 305.363 0.452 10 0 DCAELO O=C(C[N@H+]1CCNC(=O)CC1)Nc1cccc2nsnc21 ZINC000054258061 158019369 /nfs/dbraw/zinc/01/93/69/158019369.db2.gz RMZZCIJHNJQTBN-UHFFFAOYSA-N 1 2 305.363 0.452 10 0 DCAELO CCCNC(=O)CN1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000060943116 158028837 /nfs/dbraw/zinc/02/88/37/158028837.db2.gz KOZWMDIGFAWFNA-CQSZACIVSA-N 1 2 324.469 0.578 10 0 DCAELO Cn1c(SC[C@H](O)C[NH+]2CCOCC2)nnc1-c1ccco1 ZINC000066239198 158035683 /nfs/dbraw/zinc/03/56/83/158035683.db2.gz SUDPNCHPUWOVGT-LLVKDONJSA-N 1 2 324.406 0.860 10 0 DCAELO CCn1c(SC[C@@H](O)C[NH+]2CCOCC2)nnc1C1CC1 ZINC000066401280 158036745 /nfs/dbraw/zinc/03/67/45/158036745.db2.gz DHUAKGRSMIJGSI-LBPRGKRZSA-N 1 2 312.439 0.961 10 0 DCAELO Cc1cc(NCCN2C(=O)CNC2=O)nc(-c2ccncc2)[nH+]1 ZINC000113247696 158145129 /nfs/dbraw/zinc/14/51/29/158145129.db2.gz XVRDJYRPOKQOPQ-UHFFFAOYSA-N 1 2 312.333 0.811 10 0 DCAELO COc1ccccc1NC(=O)C[N@H+](C)CCN1CCOCC1 ZINC000114464041 158153072 /nfs/dbraw/zinc/15/30/72/158153072.db2.gz ZWAJPHXIYLJVHC-UHFFFAOYSA-N 1 2 307.394 0.898 10 0 DCAELO COc1ccccc1NC(=O)C[N@@H+](C)CCN1CCOCC1 ZINC000114464041 158153073 /nfs/dbraw/zinc/15/30/73/158153073.db2.gz ZWAJPHXIYLJVHC-UHFFFAOYSA-N 1 2 307.394 0.898 10 0 DCAELO COc1ccccc1NC(=O)CN(C)CC[NH+]1CCOCC1 ZINC000114464041 158153076 /nfs/dbraw/zinc/15/30/76/158153076.db2.gz ZWAJPHXIYLJVHC-UHFFFAOYSA-N 1 2 307.394 0.898 10 0 DCAELO CC(C)N1CC[C@@H](NC(=O)NCc2ccc[nH+]c2N(C)C)C1=O ZINC000114783735 158156543 /nfs/dbraw/zinc/15/65/43/158156543.db2.gz FTMBRNMDPUPNCP-CYBMUJFWSA-N 1 2 319.409 0.956 10 0 DCAELO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116892458 158169022 /nfs/dbraw/zinc/16/90/22/158169022.db2.gz XPBJLGINLHDZKL-AGIUHOORSA-N 1 2 317.455 0.305 10 0 DCAELO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116892458 158169023 /nfs/dbraw/zinc/16/90/23/158169023.db2.gz XPBJLGINLHDZKL-AGIUHOORSA-N 1 2 317.455 0.305 10 0 DCAELO CC[C@@H]1CN(S(=O)(=O)[C@@H](C)COC)CC[N@@H+]1CCOC ZINC000117925420 158174576 /nfs/dbraw/zinc/17/45/76/158174576.db2.gz NFOCWNNJPNLGBL-QWHCGFSZSA-N 1 2 308.444 0.394 10 0 DCAELO CC[C@@H]1CN(S(=O)(=O)[C@@H](C)COC)CC[N@H+]1CCOC ZINC000117925420 158174577 /nfs/dbraw/zinc/17/45/77/158174577.db2.gz NFOCWNNJPNLGBL-QWHCGFSZSA-N 1 2 308.444 0.394 10 0 DCAELO COC(=O)c1[nH]c(C)c(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c1C ZINC000121028927 158206743 /nfs/dbraw/zinc/20/67/43/158206743.db2.gz AXIJVVOTTRWWJR-NEPJUHHUSA-N 1 2 321.377 0.573 10 0 DCAELO COC(=O)c1[nH]c(C)c(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c1C ZINC000121028927 158206745 /nfs/dbraw/zinc/20/67/45/158206745.db2.gz AXIJVVOTTRWWJR-NEPJUHHUSA-N 1 2 321.377 0.573 10 0 DCAELO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000121670866 158213094 /nfs/dbraw/zinc/21/30/94/158213094.db2.gz NZDJYYWFOFECQK-IUCAKERBSA-N 1 2 304.334 0.312 10 0 DCAELO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](C[C@H](O)C(F)(F)F)C1 ZINC000121670866 158213096 /nfs/dbraw/zinc/21/30/96/158213096.db2.gz NZDJYYWFOFECQK-IUCAKERBSA-N 1 2 304.334 0.312 10 0 DCAELO Cc1nn(C)c(C)c1C(=O)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000125056106 158250164 /nfs/dbraw/zinc/25/01/64/158250164.db2.gz HEXALRZOCIWVBM-CYBMUJFWSA-N 1 2 304.394 0.916 10 0 DCAELO Cc1nn(C)c(C)c1C(=O)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000125056106 158250166 /nfs/dbraw/zinc/25/01/66/158250166.db2.gz HEXALRZOCIWVBM-CYBMUJFWSA-N 1 2 304.394 0.916 10 0 DCAELO C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CCNC(=O)CC1 ZINC000126185931 158263616 /nfs/dbraw/zinc/26/36/16/158263616.db2.gz OCMDGNYONACVGJ-NSHDSACASA-N 1 2 307.419 0.843 10 0 DCAELO C[C@@H](C(=O)N1CCc2sccc2C1)[N@H+]1CCNC(=O)CC1 ZINC000126185931 158263619 /nfs/dbraw/zinc/26/36/19/158263619.db2.gz OCMDGNYONACVGJ-NSHDSACASA-N 1 2 307.419 0.843 10 0 DCAELO CSc1ccc(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000129078377 158284475 /nfs/dbraw/zinc/28/44/75/158284475.db2.gz QVDJNMMZBOHKJW-CYBMUJFWSA-N 1 2 310.419 0.831 10 0 DCAELO COCCCCS(=O)(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000136123815 158340959 /nfs/dbraw/zinc/34/09/59/158340959.db2.gz GXFDHPDEMYXXHL-AWEZNQCLSA-N 1 2 320.455 0.397 10 0 DCAELO CN(C)C(=O)CCNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000136993831 158343840 /nfs/dbraw/zinc/34/38/40/158343840.db2.gz ODUBANCAAIXCNX-ZDUSSCGKSA-N 1 2 321.425 0.863 10 0 DCAELO CCc1ncsc1C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000161549939 158357556 /nfs/dbraw/zinc/35/75/56/158357556.db2.gz VSLAHDNIAMZSIH-CQSZACIVSA-N 1 2 313.423 0.519 10 0 DCAELO Nc1c(NC[C@@H]2C[N@@H+](C3CC3)CCO2)ncnc1-n1cccn1 ZINC000163103623 158361841 /nfs/dbraw/zinc/36/18/41/158361841.db2.gz HBFKQIZYCLAVJI-GFCCVEGCSA-N 1 2 315.381 0.520 10 0 DCAELO Nc1c(NC[C@@H]2C[N@H+](C3CC3)CCO2)ncnc1-n1cccn1 ZINC000163103623 158361846 /nfs/dbraw/zinc/36/18/46/158361846.db2.gz HBFKQIZYCLAVJI-GFCCVEGCSA-N 1 2 315.381 0.520 10 0 DCAELO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)[C@H]1Cc2ccccc2O1 ZINC000172354107 158394048 /nfs/dbraw/zinc/39/40/48/158394048.db2.gz OHRKPPYYSWTHMD-GDBMZVCRSA-N 1 2 302.374 0.970 10 0 DCAELO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)[C@H]1Cc2ccccc2O1 ZINC000172354107 158394050 /nfs/dbraw/zinc/39/40/50/158394050.db2.gz OHRKPPYYSWTHMD-GDBMZVCRSA-N 1 2 302.374 0.970 10 0 DCAELO CCCNC(=O)CCCC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172755680 158398895 /nfs/dbraw/zinc/39/88/95/158398895.db2.gz IRMILCBKWMNBNM-AWEZNQCLSA-N 1 2 311.426 0.616 10 0 DCAELO C[C@@H](NC(=O)c1ccco1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172745166 158399008 /nfs/dbraw/zinc/39/90/08/158399008.db2.gz VEELEMSSTDUKOH-CHWSQXEVSA-N 1 2 321.377 0.331 10 0 DCAELO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC000328602839 159014010 /nfs/dbraw/zinc/01/40/10/159014010.db2.gz HGIFLDCNWIPFEO-OLZOCXBDSA-N 1 2 315.439 0.152 10 0 DCAELO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC000328602839 159014012 /nfs/dbraw/zinc/01/40/12/159014012.db2.gz HGIFLDCNWIPFEO-OLZOCXBDSA-N 1 2 315.439 0.152 10 0 DCAELO Cc1nc(C)n(C[C@H]2C[N@@H+]([C@H]3CCN(C4CC4)C3=O)CCO2)n1 ZINC000328611201 159014708 /nfs/dbraw/zinc/01/47/08/159014708.db2.gz OIBIVCZDEJFYEZ-CABCVRRESA-N 1 2 319.409 0.359 10 0 DCAELO Cc1nc(C)n(C[C@H]2C[N@H+]([C@H]3CCN(C4CC4)C3=O)CCO2)n1 ZINC000328611201 159014709 /nfs/dbraw/zinc/01/47/09/159014709.db2.gz OIBIVCZDEJFYEZ-CABCVRRESA-N 1 2 319.409 0.359 10 0 DCAELO CN1CC[C@H](C(=O)N2CC[NH2+][C@@H](c3cccnc3)C2)CC1=O ZINC000328636328 159016468 /nfs/dbraw/zinc/01/64/68/159016468.db2.gz AGEITGREZQRHJA-GXTWGEPZSA-N 1 2 302.378 0.423 10 0 DCAELO C[C@@H]1CCCN(S(=O)(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)C1 ZINC000328857362 159034924 /nfs/dbraw/zinc/03/49/24/159034924.db2.gz XVEKPGJXWYWHBF-HZSPNIEDSA-N 1 2 317.455 0.368 10 0 DCAELO C[C@@H]1CCCN(S(=O)(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)C1 ZINC000328857362 159034925 /nfs/dbraw/zinc/03/49/25/159034925.db2.gz XVEKPGJXWYWHBF-HZSPNIEDSA-N 1 2 317.455 0.368 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3c[nH]nc3[C@@H]3CCOC3)C[C@H]21 ZINC000328945779 159044815 /nfs/dbraw/zinc/04/48/15/159044815.db2.gz JTQLROVUVVOPIA-MRVWCRGKSA-N 1 2 320.393 0.459 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3c[nH]nc3[C@@H]3CCOC3)C[C@H]21 ZINC000328945779 159044817 /nfs/dbraw/zinc/04/48/17/159044817.db2.gz JTQLROVUVVOPIA-MRVWCRGKSA-N 1 2 320.393 0.459 10 0 DCAELO COCC[N@@H+]1CCN(C(=O)[C@H]2CCc3[nH]nnc3C2)C[C@@H]1C ZINC000328987132 159049932 /nfs/dbraw/zinc/04/99/32/159049932.db2.gz BZWWRUQNUDBFNV-RYUDHWBXSA-N 1 2 307.398 0.089 10 0 DCAELO COCC[N@H+]1CCN(C(=O)[C@H]2CCc3[nH]nnc3C2)C[C@@H]1C ZINC000328987132 159049934 /nfs/dbraw/zinc/04/99/34/159049934.db2.gz BZWWRUQNUDBFNV-RYUDHWBXSA-N 1 2 307.398 0.089 10 0 DCAELO COCC[N@@H+]1CCN(C(=O)[C@H]2CCc3nn[nH]c3C2)C[C@@H]1C ZINC000328987132 159049935 /nfs/dbraw/zinc/04/99/35/159049935.db2.gz BZWWRUQNUDBFNV-RYUDHWBXSA-N 1 2 307.398 0.089 10 0 DCAELO COCC[N@H+]1CCN(C(=O)[C@H]2CCc3nn[nH]c3C2)C[C@@H]1C ZINC000328987132 159049936 /nfs/dbraw/zinc/04/99/36/159049936.db2.gz BZWWRUQNUDBFNV-RYUDHWBXSA-N 1 2 307.398 0.089 10 0 DCAELO O=S(=O)(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccsc1 ZINC000329034622 159053798 /nfs/dbraw/zinc/05/37/98/159053798.db2.gz YHIIQOQSZRXKFX-NSHDSACASA-N 1 2 302.421 0.890 10 0 DCAELO O=S(=O)(NC[C@H]1C[N@H+](C2CC2)CCO1)c1ccsc1 ZINC000329034622 159053800 /nfs/dbraw/zinc/05/38/00/159053800.db2.gz YHIIQOQSZRXKFX-NSHDSACASA-N 1 2 302.421 0.890 10 0 DCAELO Cc1c(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)nnn1C(C)C ZINC000329165064 159069510 /nfs/dbraw/zinc/06/95/10/159069510.db2.gz HIEPNSFRIUKZDW-OLZOCXBDSA-N 1 2 307.398 0.713 10 0 DCAELO Cc1c(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)nnn1C(C)C ZINC000329165064 159069512 /nfs/dbraw/zinc/06/95/12/159069512.db2.gz HIEPNSFRIUKZDW-OLZOCXBDSA-N 1 2 307.398 0.713 10 0 DCAELO O=[S@@](CC[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1)c1ccccc1 ZINC000329204683 159073239 /nfs/dbraw/zinc/07/32/39/159073239.db2.gz XPYLETKLMROLOQ-CFZJUORYSA-N 1 2 313.444 0.913 10 0 DCAELO O=[S@@](CC[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1)c1ccccc1 ZINC000329204683 159073241 /nfs/dbraw/zinc/07/32/41/159073241.db2.gz XPYLETKLMROLOQ-CFZJUORYSA-N 1 2 313.444 0.913 10 0 DCAELO O=C(COC[C@@H]1CCOC1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000329306807 159081600 /nfs/dbraw/zinc/08/16/00/159081600.db2.gz BHCXPAZRTWUDEG-CYBMUJFWSA-N 1 2 308.382 0.107 10 0 DCAELO COCC1(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)CCOCC1 ZINC000329744521 159116089 /nfs/dbraw/zinc/11/60/89/159116089.db2.gz XUBLJMQMIZRAJI-ZIAGYGMSSA-N 1 2 312.410 0.361 10 0 DCAELO COCC1(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)CCOCC1 ZINC000329744521 159116091 /nfs/dbraw/zinc/11/60/91/159116091.db2.gz XUBLJMQMIZRAJI-ZIAGYGMSSA-N 1 2 312.410 0.361 10 0 DCAELO CC[C@@H]1CN(C(=O)c2cc(C)n(C)n2)C[C@@H]1[NH+]1CCOCC1 ZINC000329755584 159117396 /nfs/dbraw/zinc/11/73/96/159117396.db2.gz YCXBGILNEDWYNT-HIFRSBDPSA-N 1 2 306.410 0.911 10 0 DCAELO CC[C@@H]1CN(C(=O)c2cc(C)n(C)n2)C[C@H]1[NH+]1CCOCC1 ZINC000329755585 159117823 /nfs/dbraw/zinc/11/78/23/159117823.db2.gz YCXBGILNEDWYNT-UKRRQHHQSA-N 1 2 306.410 0.911 10 0 DCAELO CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CCO[C@H](C3CC3)C2)C1 ZINC000332961904 159218206 /nfs/dbraw/zinc/21/82/06/159218206.db2.gz GPBWRZYNGQSPRV-GJZGRUSLSA-N 1 2 309.410 0.224 10 0 DCAELO CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CCO[C@H](C3CC3)C2)C1 ZINC000332961904 159218208 /nfs/dbraw/zinc/21/82/08/159218208.db2.gz GPBWRZYNGQSPRV-GJZGRUSLSA-N 1 2 309.410 0.224 10 0 DCAELO CC(=O)N1CCC[C@H]1C(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000367083945 159311137 /nfs/dbraw/zinc/31/11/37/159311137.db2.gz JZVXBEWDZHFGMI-GJZGRUSLSA-N 1 2 302.378 0.565 10 0 DCAELO CC[N@@H+]1CCC[C@@H](NC(=O)C2(S(C)(=O)=O)CCOCC2)C1 ZINC000408003739 160008643 /nfs/dbraw/zinc/00/86/43/160008643.db2.gz HDEREURYAYVDQO-GFCCVEGCSA-N 1 2 318.439 0.181 10 0 DCAELO CC[N@H+]1CCC[C@@H](NC(=O)C2(S(C)(=O)=O)CCOCC2)C1 ZINC000408003739 160008645 /nfs/dbraw/zinc/00/86/45/160008645.db2.gz HDEREURYAYVDQO-GFCCVEGCSA-N 1 2 318.439 0.181 10 0 DCAELO C[C@H](CCNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1)[S@](C)=O ZINC000408023925 160015056 /nfs/dbraw/zinc/01/50/56/160015056.db2.gz WMGVBRUFXHSFFS-YWKQUGORSA-N 1 2 317.455 0.258 10 0 DCAELO C[C@H](CCNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1)[S@](C)=O ZINC000408023925 160015058 /nfs/dbraw/zinc/01/50/58/160015058.db2.gz WMGVBRUFXHSFFS-YWKQUGORSA-N 1 2 317.455 0.258 10 0 DCAELO CO[C@@H]1C[C@@H](c2nnc[nH]2)N(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000408042882 160020256 /nfs/dbraw/zinc/02/02/56/160020256.db2.gz UUHDOXLRPWKEOU-OLZOCXBDSA-N 1 2 307.398 0.825 10 0 DCAELO C[C@H](C[N@@H+]1CCN(C(=O)N(C)C)CC1(C)C)CS(C)(=O)=O ZINC000408131147 160043399 /nfs/dbraw/zinc/04/33/99/160043399.db2.gz GMWZJDIDJLDEPL-GFCCVEGCSA-N 1 2 319.471 0.745 10 0 DCAELO C[C@H](C[N@H+]1CCN(C(=O)N(C)C)CC1(C)C)CS(C)(=O)=O ZINC000408131147 160043400 /nfs/dbraw/zinc/04/34/00/160043400.db2.gz GMWZJDIDJLDEPL-GFCCVEGCSA-N 1 2 319.471 0.745 10 0 DCAELO O=C(c1ccnc(C2CC2)n1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000408232161 160064826 /nfs/dbraw/zinc/06/48/26/160064826.db2.gz RRRPXKCLLVQHRQ-ZDUSSCGKSA-N 1 2 302.378 0.901 10 0 DCAELO CC1(C)C(=O)NC(=O)N1CC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000408270543 160072451 /nfs/dbraw/zinc/07/24/51/160072451.db2.gz RJSWCSFFIKZKHI-UHFFFAOYSA-N 1 2 319.365 0.446 10 0 DCAELO CC(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000408275035 160074499 /nfs/dbraw/zinc/07/44/99/160074499.db2.gz SCMVDNJLKUMYLU-STQMWFEESA-N 1 2 311.426 0.456 10 0 DCAELO CC(=O)N[C@H](C)C1CCN(C(=O)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000408313954 160083294 /nfs/dbraw/zinc/08/32/94/160083294.db2.gz ORPAPESHGQULLQ-CHWSQXEVSA-N 1 2 311.426 0.470 10 0 DCAELO Cc1cc(=O)[nH]cc1C(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000408392133 160099239 /nfs/dbraw/zinc/09/92/39/160099239.db2.gz FYBJUULDRWYSNX-CYBMUJFWSA-N 1 2 315.377 0.958 10 0 DCAELO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)[C@H]2CCO[C@H](C)C2)CC1 ZINC000408459559 160112586 /nfs/dbraw/zinc/11/25/86/160112586.db2.gz IXNFRVUVZWUBCS-MCIONIFRSA-N 1 2 320.455 0.272 10 0 DCAELO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC000134335377 287015872 /nfs/dbraw/zinc/01/58/72/287015872.db2.gz TTXBFDPUPVHFFJ-LBPRGKRZSA-N 1 2 303.428 0.011 10 0 DCAELO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC000134335377 287015874 /nfs/dbraw/zinc/01/58/74/287015874.db2.gz TTXBFDPUPVHFFJ-LBPRGKRZSA-N 1 2 303.428 0.011 10 0 DCAELO Cc1cc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)c(C)o1 ZINC000249116719 287106538 /nfs/dbraw/zinc/10/65/38/287106538.db2.gz BIUJRZCUFHYJKV-GHMZBOCLSA-N 1 2 316.423 0.972 10 0 DCAELO Cc1cc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)c(C)o1 ZINC000249116719 287106540 /nfs/dbraw/zinc/10/65/40/287106540.db2.gz BIUJRZCUFHYJKV-GHMZBOCLSA-N 1 2 316.423 0.972 10 0 DCAELO CCn1c(N)c(C(=O)C[N@@H+]2CC[C@H](C)[C@@H](OC)C2)c(=O)[nH]c1=O ZINC000253586654 287121554 /nfs/dbraw/zinc/12/15/54/287121554.db2.gz OUBJNIPKRMHLHH-ONGXEEELSA-N 1 2 324.381 0.091 10 0 DCAELO CCn1c(N)c(C(=O)C[N@H+]2CC[C@H](C)[C@@H](OC)C2)c(=O)[nH]c1=O ZINC000253586654 287121558 /nfs/dbraw/zinc/12/15/58/287121558.db2.gz OUBJNIPKRMHLHH-ONGXEEELSA-N 1 2 324.381 0.091 10 0 DCAELO Cc1nc(N2CCN(C(=O)N[C@@H]3CCO[C@@H]3C)CC2)cc[nH+]1 ZINC000274176791 415332087 /nfs/dbraw/zinc/33/20/87/415332087.db2.gz JCCWKIDZZYDUBI-DGCLKSJQSA-N 1 2 305.382 0.794 10 0 DCAELO CC(C)Cn1cc[nH+]c1CNC(=O)N[C@H](C)CS(C)(=O)=O ZINC000074217595 415426974 /nfs/dbraw/zinc/42/69/74/415426974.db2.gz GDYHFRAOEAGGNJ-LLVKDONJSA-N 1 2 316.427 0.771 10 0 DCAELO Cc1ccc(NC(=O)NC[C@H](C)[NH+]2CCOCC2)cc1C(N)=O ZINC000067313949 415375355 /nfs/dbraw/zinc/37/53/55/415375355.db2.gz CKWMWEXGYDQALQ-LBPRGKRZSA-N 1 2 320.393 0.936 10 0 DCAELO COC[C@H]1CN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC(C)(C)O1 ZINC000332769870 415469120 /nfs/dbraw/zinc/46/91/20/415469120.db2.gz HLLUHKBBOZUXFA-CHWSQXEVSA-N 1 2 315.414 0.152 10 0 DCAELO COC[C@H]1CN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC(C)(C)O1 ZINC000332769870 415469126 /nfs/dbraw/zinc/46/91/26/415469126.db2.gz HLLUHKBBOZUXFA-CHWSQXEVSA-N 1 2 315.414 0.152 10 0 DCAELO CC[N@H+](CC(=O)N1CCO[C@@H]2CCCC[C@H]21)[C@H]1CCNC1=O ZINC000333359975 415620873 /nfs/dbraw/zinc/62/08/73/415620873.db2.gz XFTCZAHZXBQHFP-HZSPNIEDSA-N 1 2 309.410 0.367 10 0 DCAELO CC[N@@H+](CC(=O)N1CCO[C@@H]2CCCC[C@H]21)[C@H]1CCNC1=O ZINC000333359975 415620880 /nfs/dbraw/zinc/62/08/80/415620880.db2.gz XFTCZAHZXBQHFP-HZSPNIEDSA-N 1 2 309.410 0.367 10 0 DCAELO CNC(=O)c1ccc(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000105280155 415628993 /nfs/dbraw/zinc/62/89/93/415628993.db2.gz QLMSUBPDKOMGNA-CYBMUJFWSA-N 1 2 306.366 0.498 10 0 DCAELO CNC(=O)c1ccc(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000105280155 415629000 /nfs/dbraw/zinc/62/90/00/415629000.db2.gz QLMSUBPDKOMGNA-CYBMUJFWSA-N 1 2 306.366 0.498 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc4n[nH]nc4c3)C[C@H]21 ZINC000284387490 415599381 /nfs/dbraw/zinc/59/93/81/415599381.db2.gz BBFPYFMEKMVTNC-KGLIPLIRSA-N 1 2 301.350 0.503 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc4n[nH]nc4c3)C[C@H]21 ZINC000284387490 415599385 /nfs/dbraw/zinc/59/93/85/415599385.db2.gz BBFPYFMEKMVTNC-KGLIPLIRSA-N 1 2 301.350 0.503 10 0 DCAELO C[C@H]1C[C@H](S(=O)(=O)NCC[NH+]2CCSCC2)CCO1 ZINC000333452602 415653138 /nfs/dbraw/zinc/65/31/38/415653138.db2.gz SBPRCURSVMJJLT-NWDGAFQWSA-N 1 2 308.469 0.522 10 0 DCAELO O=C(C[NH+]1CCN(c2cccnn2)CC1)NCc1cccnc1 ZINC000111214552 415689137 /nfs/dbraw/zinc/68/91/37/415689137.db2.gz VLGCIXGBOXDCOQ-UHFFFAOYSA-N 1 2 312.377 0.310 10 0 DCAELO CC(=O)N1CCC[C@H]1C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000173869201 416068147 /nfs/dbraw/zinc/06/81/47/416068147.db2.gz GHANPIMNTYKAFI-SNPRPXQTSA-N 1 2 309.410 0.176 10 0 DCAELO O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@@H]1CCCN1c1nccs1 ZINC000159106400 416007154 /nfs/dbraw/zinc/00/71/54/416007154.db2.gz DTXWIXICTUAQTP-OLZOCXBDSA-N 1 2 321.450 0.228 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC(c3cc[nH]n3)CC2)C1 ZINC000159151228 416007375 /nfs/dbraw/zinc/00/73/75/416007375.db2.gz OOJOTZFLTAJZNY-ZDUSSCGKSA-N 1 2 307.398 0.629 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)N2CCC(c3cc[nH]n3)CC2)C1 ZINC000159151228 416007378 /nfs/dbraw/zinc/00/73/78/416007378.db2.gz OOJOTZFLTAJZNY-ZDUSSCGKSA-N 1 2 307.398 0.629 10 0 DCAELO CC(C)C[C@H](CCO)CNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000174750839 416085537 /nfs/dbraw/zinc/08/55/37/416085537.db2.gz VITCLXBEPBEINZ-KBPBESRZSA-N 1 2 301.431 0.661 10 0 DCAELO CC(C)C[C@H](CCO)CNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000174750839 416085541 /nfs/dbraw/zinc/08/55/41/416085541.db2.gz VITCLXBEPBEINZ-KBPBESRZSA-N 1 2 301.431 0.661 10 0 DCAELO CCOCC[N@@H+]1CCN(S(=O)(=O)CCOC(C)C)C[C@@H]1C ZINC000175119260 416096804 /nfs/dbraw/zinc/09/68/04/416096804.db2.gz GCJJDIUSWQOITR-AWEZNQCLSA-N 1 2 322.471 0.784 10 0 DCAELO CCOCC[N@H+]1CCN(S(=O)(=O)CCOC(C)C)C[C@@H]1C ZINC000175119260 416096806 /nfs/dbraw/zinc/09/68/06/416096806.db2.gz GCJJDIUSWQOITR-AWEZNQCLSA-N 1 2 322.471 0.784 10 0 DCAELO CNC(=O)c1cccc(CNc2nc3c(cnn3C)c(N)[nH+]2)c1 ZINC000302866047 416101803 /nfs/dbraw/zinc/10/18/03/416101803.db2.gz YJWUMPSUDOYGKA-UHFFFAOYSA-N 1 2 311.349 0.917 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccc4c3OCO4)C[C@@H]21 ZINC000328864502 416135861 /nfs/dbraw/zinc/13/58/61/416135861.db2.gz GCVBOBYMEZVIPW-QWHCGFSZSA-N 1 2 304.346 0.960 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccc4c3OCO4)C[C@@H]21 ZINC000328864502 416135865 /nfs/dbraw/zinc/13/58/65/416135865.db2.gz GCVBOBYMEZVIPW-QWHCGFSZSA-N 1 2 304.346 0.960 10 0 DCAELO CCN(CC)S(=O)(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000176990695 416138462 /nfs/dbraw/zinc/13/84/62/416138462.db2.gz YLEUWDJMQCBJFT-CHWSQXEVSA-N 1 2 305.444 0.226 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3ccc(C4CC4)nn3)C[C@@H]21 ZINC000328931359 416139139 /nfs/dbraw/zinc/13/91/39/416139139.db2.gz BDIFZXBUWYXFKM-UONOGXRCSA-N 1 2 317.393 1.291 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3ccc(C4CC4)nn3)C[C@@H]21 ZINC000328931359 416139141 /nfs/dbraw/zinc/13/91/41/416139141.db2.gz BDIFZXBUWYXFKM-UONOGXRCSA-N 1 2 317.393 1.291 10 0 DCAELO Cc1cc(NC(=O)CN2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)no1 ZINC000177280296 416144810 /nfs/dbraw/zinc/14/48/10/416144810.db2.gz LBARWBOSHIPJTA-DGCLKSJQSA-N 1 2 308.382 0.574 10 0 DCAELO Cc1cc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)no1 ZINC000177280296 416144814 /nfs/dbraw/zinc/14/48/14/416144814.db2.gz LBARWBOSHIPJTA-DGCLKSJQSA-N 1 2 308.382 0.574 10 0 DCAELO Cc1cc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)no1 ZINC000177280296 416144817 /nfs/dbraw/zinc/14/48/17/416144817.db2.gz LBARWBOSHIPJTA-DGCLKSJQSA-N 1 2 308.382 0.574 10 0 DCAELO C[C@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329206439 416157211 /nfs/dbraw/zinc/15/72/11/416157211.db2.gz YDUZKULIUOWRAX-XDQVBPFNSA-N 1 2 314.451 0.895 10 0 DCAELO C[C@H]1CCC[C@H](C)N1C(=O)C[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329206439 416157213 /nfs/dbraw/zinc/15/72/13/416157213.db2.gz YDUZKULIUOWRAX-XDQVBPFNSA-N 1 2 314.451 0.895 10 0 DCAELO O=c1c2c(F)cccc2ncn1C[C@@H](O)C[NH+]1CCOCC1 ZINC000177497640 416147035 /nfs/dbraw/zinc/14/70/35/416147035.db2.gz XLRXWJFNFSBDMZ-NSHDSACASA-N 1 2 307.325 0.229 10 0 DCAELO COC(=O)Nc1ccccc1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178968780 416179146 /nfs/dbraw/zinc/17/91/46/416179146.db2.gz YWWNFTOCBZQSGM-GFCCVEGCSA-N 1 2 318.377 0.595 10 0 DCAELO CC[C@H](O)C[NH+]1CCN(C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)CC1 ZINC000182013876 416213235 /nfs/dbraw/zinc/21/32/35/416213235.db2.gz FFOJXQJCRSOYHZ-WFASDCNBSA-N 1 2 323.441 0.747 10 0 DCAELO CNC(=O)[C@@H]1C[N@H+](Cc2cnc3nc(C)cc(C)n23)CCO1 ZINC000182433352 416223225 /nfs/dbraw/zinc/22/32/25/416223225.db2.gz YGSHXSFQNYQTCU-ZDUSSCGKSA-N 1 2 303.366 0.293 10 0 DCAELO CNC(=O)[C@@H]1C[N@@H+](Cc2cnc3nc(C)cc(C)n23)CCO1 ZINC000182433352 416223227 /nfs/dbraw/zinc/22/32/27/416223227.db2.gz YGSHXSFQNYQTCU-ZDUSSCGKSA-N 1 2 303.366 0.293 10 0 DCAELO Cc1noc([C@@H]2C[C@H](O)C[N@@H+]2CCC(=O)NC2CCCC2)n1 ZINC000357967884 416162230 /nfs/dbraw/zinc/16/22/30/416162230.db2.gz ZEUGIAZUVPWBGE-STQMWFEESA-N 1 2 308.382 0.935 10 0 DCAELO Cc1noc([C@@H]2C[C@H](O)C[N@H+]2CCC(=O)NC2CCCC2)n1 ZINC000357967884 416162232 /nfs/dbraw/zinc/16/22/32/416162232.db2.gz ZEUGIAZUVPWBGE-STQMWFEESA-N 1 2 308.382 0.935 10 0 DCAELO Cc1nnc(N2C[C@@H](F)C[C@H]2C[N@@H+](C)Cc2nccc(N)n2)o1 ZINC000349942806 416261711 /nfs/dbraw/zinc/26/17/11/416261711.db2.gz FWUFMKRHJOAZNB-QWRGUYRKSA-N 1 2 321.360 0.799 10 0 DCAELO Cc1nnc(N2C[C@@H](F)C[C@H]2C[N@H+](C)Cc2nccc(N)n2)o1 ZINC000349942806 416261713 /nfs/dbraw/zinc/26/17/13/416261713.db2.gz FWUFMKRHJOAZNB-QWRGUYRKSA-N 1 2 321.360 0.799 10 0 DCAELO Cc1c(NC(=O)C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cnn1C ZINC000190767989 416280934 /nfs/dbraw/zinc/28/09/34/416280934.db2.gz RHPLQNTUSRJBLL-GFCCVEGCSA-N 1 2 316.365 0.555 10 0 DCAELO C[C@@H]1CN(C(=O)c2snnc2C(C)(C)C)CC[N@@H+]1CCO ZINC000191971680 416292933 /nfs/dbraw/zinc/29/29/33/416292933.db2.gz KNHOTENJITZIEY-SNVBAGLBSA-N 1 2 312.439 0.974 10 0 DCAELO C[C@@H]1CN(C(=O)c2snnc2C(C)(C)C)CC[N@H+]1CCO ZINC000191971680 416292937 /nfs/dbraw/zinc/29/29/37/416292937.db2.gz KNHOTENJITZIEY-SNVBAGLBSA-N 1 2 312.439 0.974 10 0 DCAELO C[C@@H]1C[N@H+](CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)C[C@@H](C(N)=O)O1 ZINC000246283890 416331725 /nfs/dbraw/zinc/33/17/25/416331725.db2.gz BAJWUXBRWSAMCQ-QPSCCSFWSA-N 1 2 323.437 0.742 10 0 DCAELO C[C@@H]1C[N@@H+](CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)C[C@@H](C(N)=O)O1 ZINC000246283890 416331726 /nfs/dbraw/zinc/33/17/26/416331726.db2.gz BAJWUXBRWSAMCQ-QPSCCSFWSA-N 1 2 323.437 0.742 10 0 DCAELO O=C(C[N@H+]1CCC[C@H](OCCO)C1)Nc1ccc2c(c1)OCO2 ZINC000360283547 416384062 /nfs/dbraw/zinc/38/40/62/416384062.db2.gz ACJNJIOERWDPFB-ZDUSSCGKSA-N 1 2 322.361 0.827 10 0 DCAELO O=C(C[N@@H+]1CCC[C@H](OCCO)C1)Nc1ccc2c(c1)OCO2 ZINC000360283547 416384064 /nfs/dbraw/zinc/38/40/64/416384064.db2.gz ACJNJIOERWDPFB-ZDUSSCGKSA-N 1 2 322.361 0.827 10 0 DCAELO Cn1cc[nH+]c1[C@@H]1CN(C(=O)NCC[C@H]2CCCO2)CCN1C ZINC000583623559 416479960 /nfs/dbraw/zinc/47/99/60/416479960.db2.gz JICSZVZWGIFBHR-KGLIPLIRSA-N 1 2 321.425 0.987 10 0 DCAELO CCOC(=O)[C@@H](C)NC(=O)[C@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000362669005 416568768 /nfs/dbraw/zinc/56/87/68/416568768.db2.gz SWQPAXVWEJOCPR-WDEREUQCSA-N 1 2 320.393 1.531 10 0 DCAELO CN(CCCO)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000369123173 416726312 /nfs/dbraw/zinc/72/63/12/416726312.db2.gz YMKISUSPUGCEDB-CQSZACIVSA-N 1 2 317.455 0.218 10 0 DCAELO CN(CC1CC1)C(=O)C[N@@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000444795084 416870877 /nfs/dbraw/zinc/87/08/77/416870877.db2.gz LSPFWBVAQLXXQP-ZDUSSCGKSA-N 1 2 302.440 0.754 10 0 DCAELO CN(CC1CC1)C(=O)C[N@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000444795084 416870881 /nfs/dbraw/zinc/87/08/81/416870881.db2.gz LSPFWBVAQLXXQP-ZDUSSCGKSA-N 1 2 302.440 0.754 10 0 DCAELO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CCN1CCCS1(=O)=O ZINC000615628567 416873746 /nfs/dbraw/zinc/87/37/46/416873746.db2.gz BEJVRYLBDJFIDY-XQQFMLRXSA-N 1 2 316.423 0.295 10 0 DCAELO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CCN1CCCS1(=O)=O ZINC000615628567 416873756 /nfs/dbraw/zinc/87/37/56/416873756.db2.gz BEJVRYLBDJFIDY-XQQFMLRXSA-N 1 2 316.423 0.295 10 0 DCAELO O=S(=O)(c1ccccc1)N1CC[NH2+]C[C@@H]1c1cncnc1 ZINC000616639495 417086184 /nfs/dbraw/zinc/08/61/84/417086184.db2.gz PFKHCOYWNWQRJG-CQSZACIVSA-N 1 2 304.375 0.812 10 0 DCAELO Nc1n[nH]cc1[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccccc1 ZINC000616638160 417086425 /nfs/dbraw/zinc/08/64/25/417086425.db2.gz GGHRYYIFVVEIBI-LBPRGKRZSA-N 1 2 307.379 0.327 10 0 DCAELO Cc1cc(N)nc(SC[C@H]2CCN(S(C)(=O)=O)C2)[nH+]1 ZINC000408145295 417144448 /nfs/dbraw/zinc/14/44/48/417144448.db2.gz GWNJPQKLIDXTQV-VIFPVBQESA-N 1 2 302.425 0.741 10 0 DCAELO CC[C@@H]1C[C@H](C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)CC(=O)N1 ZINC000408201364 417147572 /nfs/dbraw/zinc/14/75/72/417147572.db2.gz DWOHZQICGZBHTO-BARDWOONSA-N 1 2 323.437 0.470 10 0 DCAELO CCOC(=O)[C@@H]1C[N@H+](Cc2nnc(C(C)C)[nH]2)CC12COC2 ZINC000451129618 417303197 /nfs/dbraw/zinc/30/31/97/417303197.db2.gz DEIFQZRBVVVCAJ-NSHDSACASA-N 1 2 308.382 0.940 10 0 DCAELO CCOC(=O)[C@@H]1C[N@@H+](Cc2nnc(C(C)C)[nH]2)CC12COC2 ZINC000451129618 417303203 /nfs/dbraw/zinc/30/32/03/417303203.db2.gz DEIFQZRBVVVCAJ-NSHDSACASA-N 1 2 308.382 0.940 10 0 DCAELO NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)cc1 ZINC000570967401 417409474 /nfs/dbraw/zinc/40/94/74/417409474.db2.gz DNAOIACFJKEDLY-VIFPVBQESA-N 1 2 305.306 0.270 10 0 DCAELO CCOC(=O)[C@@H]1CN(C(=O)NCCn2cc[nH+]c2)CC12COC2 ZINC000454620492 417569716 /nfs/dbraw/zinc/56/97/16/417569716.db2.gz OPWZIEXSTRIAKC-LBPRGKRZSA-N 1 2 322.365 0.104 10 0 DCAELO C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(N(C)C)nc1 ZINC000440261846 287395849 /nfs/dbraw/zinc/39/58/49/287395849.db2.gz AJLUOKLCAHRVMT-LLVKDONJSA-N 1 2 305.382 0.249 10 0 DCAELO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(N(C)C)nc1 ZINC000440261846 287395851 /nfs/dbraw/zinc/39/58/51/287395851.db2.gz AJLUOKLCAHRVMT-LLVKDONJSA-N 1 2 305.382 0.249 10 0 DCAELO C[C@H](c1cnccn1)[NH+]1CCN(c2ccc3nncn3n2)CC1 ZINC000184517938 261118718 /nfs/dbraw/zinc/11/87/18/261118718.db2.gz XRNUHJMBQGRDMS-GFCCVEGCSA-N 1 2 310.365 0.798 10 0 DCAELO CC(C)Cn1cc[nH+]c1CNC(=O)N1C[C@H](CO)O[C@@H](C)C1 ZINC000189759909 261133670 /nfs/dbraw/zinc/13/36/70/261133670.db2.gz NSWKCDQRIAFDTE-QWHCGFSZSA-N 1 2 310.398 0.830 10 0 DCAELO Cc1nc(C[C@H]2CCC[N@H+](Cc3nc(N)nc(N)n3)C2)no1 ZINC000195517900 261152740 /nfs/dbraw/zinc/15/27/40/261152740.db2.gz AXBZKJZPBZVDOB-SECBINFHSA-N 1 2 304.358 0.182 10 0 DCAELO Cc1nc(C[C@H]2CCC[N@@H+](Cc3nc(N)nc(N)n3)C2)no1 ZINC000195517900 261152741 /nfs/dbraw/zinc/15/27/41/261152741.db2.gz AXBZKJZPBZVDOB-SECBINFHSA-N 1 2 304.358 0.182 10 0 DCAELO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000362860900 262082055 /nfs/dbraw/zinc/08/20/55/262082055.db2.gz WWGFKJZTIPMWPR-QWHCGFSZSA-N 1 2 322.413 0.414 10 0 DCAELO COC(=O)[C@H](C1CC1)[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000359596656 271129468 /nfs/dbraw/zinc/12/94/68/271129468.db2.gz MXRRYYHCLDRYHS-LBPRGKRZSA-N 1 2 304.412 0.294 10 0 DCAELO Cc1cc(C[C@@H](C)NC(=O)C[N@@H+](C)CC(=O)NC(C)C)[nH]n1 ZINC000488982387 272055353 /nfs/dbraw/zinc/05/53/53/272055353.db2.gz LPLCVBOZZVEXMS-LLVKDONJSA-N 1 2 309.414 0.222 10 0 DCAELO Cc1cc(C[C@@H](C)NC(=O)C[N@H+](C)CC(=O)NC(C)C)[nH]n1 ZINC000488982387 272055355 /nfs/dbraw/zinc/05/53/55/272055355.db2.gz LPLCVBOZZVEXMS-LLVKDONJSA-N 1 2 309.414 0.222 10 0 DCAELO CC(C)(C)NC(=O)C[N@@H+]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000066893450 278357481 /nfs/dbraw/zinc/35/74/81/278357481.db2.gz FXVDFEVPECYRDB-CYBMUJFWSA-N 1 2 311.426 0.614 10 0 DCAELO CC(C)(C)NC(=O)C[N@H+]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000066893450 278357482 /nfs/dbraw/zinc/35/74/82/278357482.db2.gz FXVDFEVPECYRDB-CYBMUJFWSA-N 1 2 311.426 0.614 10 0 DCAELO O=C([C@@H]1Cc2ccccc2O1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172761701 280118929 /nfs/dbraw/zinc/11/89/29/280118929.db2.gz YEEHQFFWAWOGQV-HOCLYGCPSA-N 1 2 302.374 0.923 10 0 DCAELO O=C(c1ccc2nncn2c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000408231195 280204458 /nfs/dbraw/zinc/20/44/58/280204458.db2.gz LIEJUPFSXJOMJU-CYBMUJFWSA-N 1 2 301.350 0.276 10 0 DCAELO O=C(NC[C@@H]1CCCOC1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000553057181 288285473 /nfs/dbraw/zinc/28/54/73/288285473.db2.gz PYSAAHJZVJMSCA-NSHDSACASA-N 1 2 302.334 0.816 10 0 DCAELO CC(C)[C@@](C)(O)CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000553072766 288286278 /nfs/dbraw/zinc/28/62/78/288286278.db2.gz RJAPCVFIWBOENZ-HNNXBMFYSA-N 1 2 304.350 0.796 10 0 DCAELO O=C(CN1CC[NH+]([C@@H]2CCCCNC2=O)CC1)N1CCCCC1 ZINC000022810609 295506409 /nfs/dbraw/zinc/50/64/09/295506409.db2.gz PWKSGHFSYQVIDZ-OAHLLOKOSA-N 1 2 322.453 0.285 10 0 DCAELO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1S(=O)(=O)N1CCCC1 ZINC000329456511 297809344 /nfs/dbraw/zinc/80/93/44/297809344.db2.gz QDUIQPOHBGGHFC-CHWSQXEVSA-N 1 2 303.428 0.122 10 0 DCAELO Cc1cc(NC(=O)[C@@H](C)N2CC[C@@H]([NH+]3CCOCC3)C2)on1 ZINC000247254690 301356243 /nfs/dbraw/zinc/35/62/43/301356243.db2.gz ZFICJHULVKQHDH-CHWSQXEVSA-N 1 2 308.382 0.717 10 0 DCAELO Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](N3CCOCC3)C2)on1 ZINC000247254690 301356246 /nfs/dbraw/zinc/35/62/46/301356246.db2.gz ZFICJHULVKQHDH-CHWSQXEVSA-N 1 2 308.382 0.717 10 0 DCAELO Cc1cc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](N3CCOCC3)C2)on1 ZINC000247254690 301356247 /nfs/dbraw/zinc/35/62/47/301356247.db2.gz ZFICJHULVKQHDH-CHWSQXEVSA-N 1 2 308.382 0.717 10 0 DCAELO CO[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000570220253 332726407 /nfs/dbraw/zinc/72/64/07/332726407.db2.gz LKBJONJXUGGBAD-ZYHUDNBSSA-N 1 2 302.334 0.957 10 0 DCAELO CC[C@]1(O)CCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000582217526 336005522 /nfs/dbraw/zinc/00/55/22/336005522.db2.gz UNCJZEQOBXLSEZ-HNNXBMFYSA-N 1 2 302.334 0.646 10 0 DCAELO CCn1cc[nH+]c1CNC(=O)[C@@H]1COCCN1CC(F)F ZINC000576171630 341831186 /nfs/dbraw/zinc/83/11/86/341831186.db2.gz RZJAARHWYLCTTI-JTQLQIEISA-N 1 2 302.325 0.485 10 0 DCAELO C[C@@H](Cn1cncn1)NC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000299685468 534273110 /nfs/dbraw/zinc/27/31/10/534273110.db2.gz YVOJLLLNBITKGC-ZDUSSCGKSA-N 1 2 318.381 0.787 10 0 DCAELO CC(C)[C@H](O)CC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000157167813 519822763 /nfs/dbraw/zinc/82/27/63/519822763.db2.gz GFHORJFSMQCJGT-HIFRSBDPSA-N 1 2 316.467 0.718 10 0 DCAELO O=C(NCc1ccn2cc[nH+]c2c1)c1cc2c(cn1)nc[nH]c2=O ZINC000186543153 534687952 /nfs/dbraw/zinc/68/79/52/534687952.db2.gz CPVWCZLEENNDSG-UHFFFAOYSA-N 1 2 320.312 0.896 10 0 DCAELO CCn1cc(NC(=O)C(=O)N2CC[N@H+](CCOC)[C@@H](C)C2)cn1 ZINC000129826725 523403551 /nfs/dbraw/zinc/40/35/51/523403551.db2.gz YUVWQXFVPRNHHY-LBPRGKRZSA-N 1 2 323.397 0.021 10 0 DCAELO CCn1cc(NC(=O)C(=O)N2CC[N@@H+](CCOC)[C@@H](C)C2)cn1 ZINC000129826725 523403559 /nfs/dbraw/zinc/40/35/59/523403559.db2.gz YUVWQXFVPRNHHY-LBPRGKRZSA-N 1 2 323.397 0.021 10 0 DCAELO CN(Cc1cccs1)C(=O)C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000371813659 523441121 /nfs/dbraw/zinc/44/11/21/523441121.db2.gz AYPCXNPADQDBTG-CYBMUJFWSA-N 1 2 309.435 0.723 10 0 DCAELO CN(Cc1cccs1)C(=O)C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000371813659 523441135 /nfs/dbraw/zinc/44/11/35/523441135.db2.gz AYPCXNPADQDBTG-CYBMUJFWSA-N 1 2 309.435 0.723 10 0 DCAELO C[C@H]1CCCN(S(=O)(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000246917234 524101218 /nfs/dbraw/zinc/10/12/18/524101218.db2.gz IQPMREJRBKJFDJ-UONOGXRCSA-N 1 2 317.455 0.370 10 0 DCAELO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CCCNC(=O)[C@H]1C ZINC000248951200 524139518 /nfs/dbraw/zinc/13/95/18/524139518.db2.gz DAXBFRJMHSKSTK-UPJWGTAASA-N 1 2 324.425 0.601 10 0 DCAELO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CCCNC(=O)[C@H]1C ZINC000248951200 524139524 /nfs/dbraw/zinc/13/95/24/524139524.db2.gz DAXBFRJMHSKSTK-UPJWGTAASA-N 1 2 324.425 0.601 10 0 DCAELO C[C@@H](CNC(=O)[C@@H]1CC(c2cccnc2)=NO1)[NH+]1CCOCC1 ZINC000188465194 524696736 /nfs/dbraw/zinc/69/67/36/524696736.db2.gz FFSQIQDIIBURPR-WFASDCNBSA-N 1 2 318.377 0.412 10 0 DCAELO C[C@H](c1ccccn1)[N@H+](C)CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000245549034 526122527 /nfs/dbraw/zinc/12/25/27/526122527.db2.gz YQMJGBKOCAGVDO-CHWSQXEVSA-N 1 2 304.394 0.798 10 0 DCAELO C[C@H](c1ccccn1)[N@@H+](C)CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000245549034 526122534 /nfs/dbraw/zinc/12/25/34/526122534.db2.gz YQMJGBKOCAGVDO-CHWSQXEVSA-N 1 2 304.394 0.798 10 0 DCAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)Nc1ccc(F)cc1F ZINC000122481145 526572755 /nfs/dbraw/zinc/57/27/55/526572755.db2.gz KKKKSEZKFLTFSZ-NSHDSACASA-N 1 2 315.320 0.779 10 0 DCAELO NC(=O)c1ncccc1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000364185639 527102351 /nfs/dbraw/zinc/10/23/51/527102351.db2.gz HDBQFTZBGOEWON-GFCCVEGCSA-N 1 2 312.329 0.869 10 0 DCAELO CC[C@@H](CO)[NH+]1CCN(C(=O)c2cn3ccnc3s2)CC1 ZINC000188734539 545918286 /nfs/dbraw/zinc/91/82/86/545918286.db2.gz ANRUDOWTEVXFQL-NSHDSACASA-N 1 2 308.407 0.925 10 0 DCAELO C[C@@H]1CN(Cc2cnc(NS(C)(=O)=O)s2)CC[C@H]1[NH3+] ZINC000725272274 548749918 /nfs/dbraw/zinc/74/99/18/548749918.db2.gz OOGLQWZBYBTIHF-PSASIEDQSA-N 1 2 304.441 0.684 10 0 DCAELO CO[C@@H]1C[C@@H](c2[nH]c(C)c(C)[nH+]2)N(CCN2CCNC2=O)C1 ZINC000888102645 661183474 /nfs/dbraw/zinc/18/34/74/661183474.db2.gz CTMAKWGFNGZOQZ-OLZOCXBDSA-N 1 2 307.398 0.814 10 0 DCAELO C#CCNC(=O)C[NH+](CCC1CCCCC1)CC(=O)NCC#C ZINC000047614457 661683902 /nfs/dbraw/zinc/68/39/02/661683902.db2.gz JYKBKXFVCLWGLO-UHFFFAOYSA-N 1 2 317.433 0.758 10 0 DCAELO Cc1nn(C)c(C)c1C[NH+]1CCN(CN2CCCC2=O)CC1 ZINC000152660141 664768136 /nfs/dbraw/zinc/76/81/36/664768136.db2.gz FXSRNYIWPXWKFZ-UHFFFAOYSA-N 1 2 305.426 0.734 10 0 DCAELO CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC000702830310 667000999 /nfs/dbraw/zinc/00/09/99/667000999.db2.gz JYQPVFVTQLXLMB-RYUDHWBXSA-N 1 2 324.381 0.227 10 0 DCAELO COC(=O)c1cn(CN2CC[NH+](Cc3ccncc3)CC2)nn1 ZINC000075666138 667485198 /nfs/dbraw/zinc/48/51/98/667485198.db2.gz OHOHJZWFDNJGIL-UHFFFAOYSA-N 1 2 316.365 0.235 10 0 DCAELO Cc1ccc(OC[C@H](O)C[N@H+](C)CCS(C)(=O)=O)cc1 ZINC000076306530 670119411 /nfs/dbraw/zinc/11/94/11/670119411.db2.gz XAWOKWSMGMVBFD-CYBMUJFWSA-N 1 2 301.408 0.711 10 0 DCAELO Cc1ccc(OC[C@H](O)C[N@@H+](C)CCS(C)(=O)=O)cc1 ZINC000076306530 670119414 /nfs/dbraw/zinc/11/94/14/670119414.db2.gz XAWOKWSMGMVBFD-CYBMUJFWSA-N 1 2 301.408 0.711 10 0 DCAELO OC[C@@H]1CCCN1c1cc(N2CCO[C@H](C(F)F)C2)[nH+]cn1 ZINC000193580697 670304600 /nfs/dbraw/zinc/30/46/00/670304600.db2.gz MNWQJKYCTOKBBF-QWRGUYRKSA-N 1 2 314.336 0.908 10 0 DCAELO OC[C@@H]1CCCN1c1cc(N2CCO[C@H](C(F)F)C2)nc[nH+]1 ZINC000193580697 670304603 /nfs/dbraw/zinc/30/46/03/670304603.db2.gz MNWQJKYCTOKBBF-QWRGUYRKSA-N 1 2 314.336 0.908 10 0 DCAELO COC(=O)[C@H]1CC(=O)N(C[N@@H+]2CCC[C@H]2Cn2ccnc2C)C1 ZINC000248414388 685174496 /nfs/dbraw/zinc/17/44/96/685174496.db2.gz GWSIHNABTMDCLU-KBPBESRZSA-N 1 2 320.393 0.635 10 0 DCAELO COC(=O)[C@H]1CC(=O)N(C[N@H+]2CCC[C@H]2Cn2ccnc2C)C1 ZINC000248414388 685174499 /nfs/dbraw/zinc/17/44/99/685174499.db2.gz GWSIHNABTMDCLU-KBPBESRZSA-N 1 2 320.393 0.635 10 0 DCAELO CCc1cnccc1C(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000328641668 529670147 /nfs/dbraw/zinc/67/01/47/529670147.db2.gz QRWZQTHEZIJBBU-CYBMUJFWSA-N 1 2 320.393 0.952 10 0 DCAELO CCc1cnccc1C(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000328641668 529670148 /nfs/dbraw/zinc/67/01/48/529670148.db2.gz QRWZQTHEZIJBBU-CYBMUJFWSA-N 1 2 320.393 0.952 10 0 DCAELO CCc1nnc(C[NH2+][C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2C)[nH]1 ZINC000328621197 529740367 /nfs/dbraw/zinc/74/03/67/529740367.db2.gz HNWDAWQFJKWTQD-ABAIWWIYSA-N 1 2 317.397 0.471 10 0 DCAELO C[N@@H+](CC(N)=O)C[C@@H]1CN(C/C=C/c2ccccc2)CCO1 ZINC000275799487 529852027 /nfs/dbraw/zinc/85/20/27/529852027.db2.gz SSJBFFYXIHRKCQ-CDVVCGDMSA-N 1 2 303.406 0.818 10 0 DCAELO C[N@H+](CC(N)=O)C[C@@H]1CN(C/C=C/c2ccccc2)CCO1 ZINC000275799487 529852028 /nfs/dbraw/zinc/85/20/28/529852028.db2.gz SSJBFFYXIHRKCQ-CDVVCGDMSA-N 1 2 303.406 0.818 10 0 DCAELO CN(CC(N)=O)C[C@@H]1C[N@H+](C/C=C/c2ccccc2)CCO1 ZINC000275799487 529852029 /nfs/dbraw/zinc/85/20/29/529852029.db2.gz SSJBFFYXIHRKCQ-CDVVCGDMSA-N 1 2 303.406 0.818 10 0 DCAELO CN(CC(N)=O)C[C@@H]1C[N@@H+](C/C=C/c2ccccc2)CCO1 ZINC000275799487 529852030 /nfs/dbraw/zinc/85/20/30/529852030.db2.gz SSJBFFYXIHRKCQ-CDVVCGDMSA-N 1 2 303.406 0.818 10 0 DCAELO Cc1nnc2ccc(C(=O)N3CC[C@@H]4OCC[N@@H+](C)[C@@H]4C3)cn12 ZINC000284320287 282347540 /nfs/dbraw/zinc/34/75/40/282347540.db2.gz BCSVDKMYWVDIGY-KGLIPLIRSA-N 1 2 315.377 0.583 10 0 DCAELO Cc1nnc2ccc(C(=O)N3CC[C@@H]4OCC[N@H+](C)[C@@H]4C3)cn12 ZINC000284320287 282347541 /nfs/dbraw/zinc/34/75/41/282347541.db2.gz BCSVDKMYWVDIGY-KGLIPLIRSA-N 1 2 315.377 0.583 10 0 DCAELO Cn1cc[nH+]c1[C@@H]1CN(CC(=O)NC[C@H]2CCCO2)CCN1C ZINC000279885522 215206599 /nfs/dbraw/zinc/20/65/99/215206599.db2.gz CRQVJMMEGCTOPR-KGLIPLIRSA-N 1 2 321.425 0.004 10 0 DCAELO COCCCOCC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000179731192 186211795 /nfs/dbraw/zinc/21/17/95/186211795.db2.gz IFQCYDXLUVCQKH-UHFFFAOYSA-N 1 2 304.350 0.937 10 0 DCAELO Cn1cc([C@@H]2CCN(C(=O)NC[C@@H]3C[N@H+](C)CCO3)C2)cn1 ZINC000172121499 198042182 /nfs/dbraw/zinc/04/21/82/198042182.db2.gz VTFIZJGUIWLZTQ-TZMCWYRMSA-N 1 2 307.398 0.250 10 0 DCAELO Cn1cc([C@@H]2CCN(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)C2)cn1 ZINC000172121499 198042184 /nfs/dbraw/zinc/04/21/84/198042184.db2.gz VTFIZJGUIWLZTQ-TZMCWYRMSA-N 1 2 307.398 0.250 10 0 DCAELO CCCNC(=O)CN(C)C(=O)C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000173399420 198210611 /nfs/dbraw/zinc/21/06/11/198210611.db2.gz MVBHELLNNWXDEP-AWEZNQCLSA-N 1 2 321.425 0.921 10 0 DCAELO CCCNC(=O)CN(C)C(=O)C[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000173399420 198210613 /nfs/dbraw/zinc/21/06/13/198210613.db2.gz MVBHELLNNWXDEP-AWEZNQCLSA-N 1 2 321.425 0.921 10 0 DCAELO CC(C)C[C@@H]1COCC[N@@H+]1CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000073166879 191287924 /nfs/dbraw/zinc/28/79/24/191287924.db2.gz REPDCJHNSKRTGL-UONOGXRCSA-N 1 2 311.426 0.457 10 0 DCAELO CC(C)C[C@@H]1COCC[N@H+]1CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000073166879 191287927 /nfs/dbraw/zinc/28/79/27/191287927.db2.gz REPDCJHNSKRTGL-UONOGXRCSA-N 1 2 311.426 0.457 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)C[C@@H]21 ZINC000329167786 283026273 /nfs/dbraw/zinc/02/62/73/283026273.db2.gz ILPCHMWZONKTLV-QWRGUYRKSA-N 1 2 324.381 0.089 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)C[C@@H]21 ZINC000329167786 283026274 /nfs/dbraw/zinc/02/62/74/283026274.db2.gz ILPCHMWZONKTLV-QWRGUYRKSA-N 1 2 324.381 0.089 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cn(C)cn2)nc[nH+]1 ZINC000179612583 199063821 /nfs/dbraw/zinc/06/38/21/199063821.db2.gz YEFNDXBVXOSWQH-LLVKDONJSA-N 1 2 315.381 0.651 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cn(C)cn2)[nH+]cn1 ZINC000179612583 199063822 /nfs/dbraw/zinc/06/38/22/199063822.db2.gz YEFNDXBVXOSWQH-LLVKDONJSA-N 1 2 315.381 0.651 10 0 DCAELO CC(=O)c1c(C)[nH]c(C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1C ZINC000187291556 200089154 /nfs/dbraw/zinc/08/91/54/200089154.db2.gz FHILUUTVMRPBLZ-JTQLQIEISA-N 1 2 307.394 0.973 10 0 DCAELO CC(=O)c1c(C)[nH]c(C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1C ZINC000187291556 200089156 /nfs/dbraw/zinc/08/91/56/200089156.db2.gz FHILUUTVMRPBLZ-JTQLQIEISA-N 1 2 307.394 0.973 10 0 DCAELO Cc1ccc(F)c(S(=O)(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1 ZINC000188734023 200297544 /nfs/dbraw/zinc/29/75/44/200297544.db2.gz DSMFFHWIUDEFSB-GFCCVEGCSA-N 1 2 316.398 0.821 10 0 DCAELO Cc1ccc(F)c(S(=O)(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1 ZINC000188734023 200297545 /nfs/dbraw/zinc/29/75/45/200297545.db2.gz DSMFFHWIUDEFSB-GFCCVEGCSA-N 1 2 316.398 0.821 10 0 DCAELO Cn1cc(CC(=O)N(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)cn1 ZINC000276553010 238323302 /nfs/dbraw/zinc/32/33/02/238323302.db2.gz SEHYVVWHCAGTLK-HNNXBMFYSA-N 1 2 306.410 0.532 10 0 DCAELO Cn1cc(CC(=O)N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)cn1 ZINC000276553010 238323309 /nfs/dbraw/zinc/32/33/09/238323309.db2.gz SEHYVVWHCAGTLK-HNNXBMFYSA-N 1 2 306.410 0.532 10 0 DCAELO C[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)C(=O)NC(=O)NC1CC1 ZINC000173630301 296152323 /nfs/dbraw/zinc/15/23/23/296152323.db2.gz DBKVIQLYUDJZBC-VHSXEESVSA-N 1 2 320.397 0.642 10 0 DCAELO Cn1cc[nH+]c1[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)NC2)CCN1C ZINC000282532617 217068168 /nfs/dbraw/zinc/06/81/68/217068168.db2.gz YYPPYUUCEPWIDE-BLLLJJGKSA-N 1 2 319.409 0.152 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnc(C4CC4)nc3N)C[C@@H]21 ZINC000288306435 220074545 /nfs/dbraw/zinc/07/45/45/220074545.db2.gz XILWQZXTNHNLBL-QWHCGFSZSA-N 1 2 317.393 0.481 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnc(C4CC4)nc3N)C[C@@H]21 ZINC000288306435 220074547 /nfs/dbraw/zinc/07/45/47/220074547.db2.gz XILWQZXTNHNLBL-QWHCGFSZSA-N 1 2 317.393 0.481 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnc(C4CC4)nc3N)C[C@H]21 ZINC000288306428 220074570 /nfs/dbraw/zinc/07/45/70/220074570.db2.gz XILWQZXTNHNLBL-CHWSQXEVSA-N 1 2 317.393 0.481 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnc(C4CC4)nc3N)C[C@H]21 ZINC000288306428 220074573 /nfs/dbraw/zinc/07/45/73/220074573.db2.gz XILWQZXTNHNLBL-CHWSQXEVSA-N 1 2 317.393 0.481 10 0 DCAELO CC1=[NH+]CCN1C(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1 ZINC000020173698 182194664 /nfs/dbraw/zinc/19/46/64/182194664.db2.gz BRFRZDYYYPAIEZ-UHFFFAOYSA-N 1 2 321.358 0.627 10 0 DCAELO CCOC(=O)[C@@](NC(C)=O)(N1CC[NH+](C)CC1)C(F)(F)F ZINC000020609023 182238588 /nfs/dbraw/zinc/23/85/88/182238588.db2.gz IVDSPKMDIHSRFO-LLVKDONJSA-N 1 2 311.304 0.192 10 0 DCAELO C[C@H](C(=O)Nc1nc2c(s1)C[N@H+](C)CC2)N1CCOCC1 ZINC000041573180 183206161 /nfs/dbraw/zinc/20/61/61/183206161.db2.gz BIYOCKPGPKDNNO-SNVBAGLBSA-N 1 2 310.423 0.790 10 0 DCAELO C[C@H](C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2)N1CCOCC1 ZINC000041573180 183206164 /nfs/dbraw/zinc/20/61/64/183206164.db2.gz BIYOCKPGPKDNNO-SNVBAGLBSA-N 1 2 310.423 0.790 10 0 DCAELO Cc1ccc([C@H](O)CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000104797569 194041695 /nfs/dbraw/zinc/04/16/95/194041695.db2.gz NJHQWKBIRDKFEP-HUUCEWRRSA-N 1 2 307.394 0.658 10 0 DCAELO Cc1ccc([C@H](O)CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000104797569 194041697 /nfs/dbraw/zinc/04/16/97/194041697.db2.gz NJHQWKBIRDKFEP-HUUCEWRRSA-N 1 2 307.394 0.658 10 0 DCAELO C[C@@H](NC[C@H]1C[N@H+](C)CCO1)c1nnnn1-c1ccccc1 ZINC000105932405 194172677 /nfs/dbraw/zinc/17/26/77/194172677.db2.gz QMRGDOUKUPOJJG-OCCSQVGLSA-N 1 2 302.382 0.644 10 0 DCAELO C[C@@H](NC[C@H]1C[N@@H+](C)CCO1)c1nnnn1-c1ccccc1 ZINC000105932405 194172679 /nfs/dbraw/zinc/17/26/79/194172679.db2.gz QMRGDOUKUPOJJG-OCCSQVGLSA-N 1 2 302.382 0.644 10 0 DCAELO C[C@H]1C[C@@H](S(=O)(=O)NCC[NH+]2CCSCC2)CCO1 ZINC000333452604 252724279 /nfs/dbraw/zinc/72/42/79/252724279.db2.gz SBPRCURSVMJJLT-RYUDHWBXSA-N 1 2 308.469 0.522 10 0 DCAELO COc1cncnc1NC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000297345301 533155338 /nfs/dbraw/zinc/15/53/38/533155338.db2.gz FKPPWHNIHDQDPU-NWDGAFQWSA-N 1 2 321.381 0.670 10 0 DCAELO CC[N@H+]1C[C@H]2[C@@H](C1)c1nc(N3CCCC3)ncc1CS2(=O)=O ZINC000249700718 257106713 /nfs/dbraw/zinc/10/67/13/257106713.db2.gz XVASTKOTNBKMJH-OLZOCXBDSA-N 1 2 322.434 0.793 10 0 DCAELO CC[N@@H+]1C[C@H]2[C@@H](C1)c1nc(N3CCCC3)ncc1CS2(=O)=O ZINC000249700718 257106714 /nfs/dbraw/zinc/10/67/14/257106714.db2.gz XVASTKOTNBKMJH-OLZOCXBDSA-N 1 2 322.434 0.793 10 0 DCAELO C[C@@H](CNC=C1C(=O)NC(=O)c2ccccc21)[NH+]1CCOCC1 ZINC000032080276 395709094 /nfs/dbraw/zinc/70/90/94/395709094.db2.gz IJKATUPCMWWFFM-YGRGUWMTSA-N 1 2 315.373 0.608 10 0 DCAELO CC[C@H](O)C[NH+]1CCN(C(=O)c2ccc([S@](C)=O)cc2)CC1 ZINC000106398001 395782537 /nfs/dbraw/zinc/78/25/37/395782537.db2.gz ZKIBEQJUPIJFHZ-RCDICMHDSA-N 1 2 324.446 0.953 10 0 DCAELO O=C(NCCCn1ccnn1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000193800207 395778934 /nfs/dbraw/zinc/77/89/34/395778934.db2.gz WZSGQUWXSMDISW-CQSZACIVSA-N 1 2 307.398 0.428 10 0 DCAELO O=C(NCCCn1ccnn1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000193800207 395778937 /nfs/dbraw/zinc/77/89/37/395778937.db2.gz WZSGQUWXSMDISW-CQSZACIVSA-N 1 2 307.398 0.428 10 0 DCAELO CCc1cccc(C)c1NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000118115909 395859725 /nfs/dbraw/zinc/85/97/25/395859725.db2.gz SGQPQLJKTADBJA-CQSZACIVSA-N 1 2 319.405 0.943 10 0 DCAELO CCc1cccc(C)c1NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000118115909 395859728 /nfs/dbraw/zinc/85/97/28/395859728.db2.gz SGQPQLJKTADBJA-CQSZACIVSA-N 1 2 319.405 0.943 10 0 DCAELO COC(=O)c1c(C)[nH]c(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c1C ZINC000124196238 395899743 /nfs/dbraw/zinc/89/97/43/395899743.db2.gz IOUFUZAOEVGIJU-NEPJUHHUSA-N 1 2 321.377 0.573 10 0 DCAELO COC(=O)c1c(C)[nH]c(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c1C ZINC000124196238 395899747 /nfs/dbraw/zinc/89/97/47/395899747.db2.gz IOUFUZAOEVGIJU-NEPJUHHUSA-N 1 2 321.377 0.573 10 0 DCAELO CN(C)c1cccc(CNC(=O)NC[C@H]2C[N@H+](C)CCO2)n1 ZINC000119167608 395867981 /nfs/dbraw/zinc/86/79/81/395867981.db2.gz YCQRTJAMMKMARH-ZDUSSCGKSA-N 1 2 307.398 0.277 10 0 DCAELO CN(C)c1cccc(CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)n1 ZINC000119167608 395867986 /nfs/dbraw/zinc/86/79/86/395867986.db2.gz YCQRTJAMMKMARH-ZDUSSCGKSA-N 1 2 307.398 0.277 10 0 DCAELO CC[C@H]1CN(C(=O)[C@H](C)CS(C)(=O)=O)CC[N@@H+]1CCOC ZINC000245427800 395928663 /nfs/dbraw/zinc/92/86/63/395928663.db2.gz IATPAOCHWMNVRL-OLZOCXBDSA-N 1 2 320.455 0.236 10 0 DCAELO CC[C@H]1CN(C(=O)[C@H](C)CS(C)(=O)=O)CC[N@H+]1CCOC ZINC000245427800 395928665 /nfs/dbraw/zinc/92/86/65/395928665.db2.gz IATPAOCHWMNVRL-OLZOCXBDSA-N 1 2 320.455 0.236 10 0 DCAELO CN1C(=O)C[C@H]([N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)C1=O ZINC000245550896 395932107 /nfs/dbraw/zinc/93/21/07/395932107.db2.gz OUOZUUXUOKJHBS-YOEHRIQHSA-N 1 2 300.358 0.918 10 0 DCAELO CN1C(=O)C[C@H]([N@H+]2CCO[C@@]3(CCc4ccccc43)C2)C1=O ZINC000245550896 395932113 /nfs/dbraw/zinc/93/21/13/395932113.db2.gz OUOZUUXUOKJHBS-YOEHRIQHSA-N 1 2 300.358 0.918 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)c2cc3c(cc2F)NC(=O)CC3)C1 ZINC000136232734 395945072 /nfs/dbraw/zinc/94/50/72/395945072.db2.gz RUWQSPWSPVIMKN-LLVKDONJSA-N 1 2 321.352 0.771 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)c2cc3c(cc2F)NC(=O)CC3)C1 ZINC000136232734 395945074 /nfs/dbraw/zinc/94/50/74/395945074.db2.gz RUWQSPWSPVIMKN-LLVKDONJSA-N 1 2 321.352 0.771 10 0 DCAELO Cc1cc(NC(=O)CN2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)no1 ZINC000246428307 395949646 /nfs/dbraw/zinc/94/96/46/395949646.db2.gz LBARWBOSHIPJTA-YPMHNXCESA-N 1 2 308.382 0.574 10 0 DCAELO Cc1cc(NC(=O)C[N@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)no1 ZINC000246428307 395949650 /nfs/dbraw/zinc/94/96/50/395949650.db2.gz LBARWBOSHIPJTA-YPMHNXCESA-N 1 2 308.382 0.574 10 0 DCAELO Cc1cc(NC(=O)C[N@@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)no1 ZINC000246428307 395949652 /nfs/dbraw/zinc/94/96/52/395949652.db2.gz LBARWBOSHIPJTA-YPMHNXCESA-N 1 2 308.382 0.574 10 0 DCAELO CC[C@H]1C[N@H+](C[C@H](C)CS(C)(=O)=O)CCN1CCOC ZINC000246630011 395954230 /nfs/dbraw/zinc/95/42/30/395954230.db2.gz SSPMQEJOTKPBAB-KBPBESRZSA-N 1 2 306.472 0.710 10 0 DCAELO CC[C@H]1C[N@@H+](C[C@H](C)CS(C)(=O)=O)CCN1CCOC ZINC000246630011 395954233 /nfs/dbraw/zinc/95/42/33/395954233.db2.gz SSPMQEJOTKPBAB-KBPBESRZSA-N 1 2 306.472 0.710 10 0 DCAELO CC[C@H]1CN(C[C@H](C)CS(C)(=O)=O)CC[N@@H+]1CCOC ZINC000246630011 395954234 /nfs/dbraw/zinc/95/42/34/395954234.db2.gz SSPMQEJOTKPBAB-KBPBESRZSA-N 1 2 306.472 0.710 10 0 DCAELO CC[C@H]1CN(C[C@H](C)CS(C)(=O)=O)CC[N@H+]1CCOC ZINC000246630011 395954236 /nfs/dbraw/zinc/95/42/36/395954236.db2.gz SSPMQEJOTKPBAB-KBPBESRZSA-N 1 2 306.472 0.710 10 0 DCAELO CO[C@@H]1CC[C@@H]2OCC[N@H+](C[C@@H](C)CS(C)(=O)=O)[C@@H]2C1 ZINC000246923057 395960717 /nfs/dbraw/zinc/96/07/17/395960717.db2.gz RVXFVDXGXCJYTD-SYQHCUMBSA-N 1 2 305.440 0.935 10 0 DCAELO CO[C@@H]1CC[C@@H]2OCC[N@@H+](C[C@@H](C)CS(C)(=O)=O)[C@@H]2C1 ZINC000246923057 395960722 /nfs/dbraw/zinc/96/07/22/395960722.db2.gz RVXFVDXGXCJYTD-SYQHCUMBSA-N 1 2 305.440 0.935 10 0 DCAELO COC(=O)[C@@H](C)N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC000247374152 395972237 /nfs/dbraw/zinc/97/22/37/395972237.db2.gz VASPOCIDCYQLPX-CABCVRRESA-N 1 2 313.442 0.275 10 0 DCAELO CS(=O)(=O)N1CC[NH+](CCCOc2cccc(N)c2)CC1 ZINC000062081489 395972406 /nfs/dbraw/zinc/97/24/06/395972406.db2.gz WLNJQCXBTZSGIP-UHFFFAOYSA-N 1 2 313.423 0.615 10 0 DCAELO CCS(=O)(=O)NCC[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000150915229 395975860 /nfs/dbraw/zinc/97/58/60/395975860.db2.gz JPFLSXWHWCORHO-LBPRGKRZSA-N 1 2 323.422 0.857 10 0 DCAELO Cc1cc(=O)[nH]c(-c2ccc(NC(=O)[C@H]3COCC[NH2+]3)cc2)n1 ZINC000153411784 396024115 /nfs/dbraw/zinc/02/41/15/396024115.db2.gz JNWFCVJVOBTMSI-CYBMUJFWSA-N 1 2 314.345 0.672 10 0 DCAELO C[C@H](NC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1)[C@@H]1CCOC1 ZINC000276844096 396032284 /nfs/dbraw/zinc/03/22/84/396032284.db2.gz YZQOEJYBQFLUIR-BFHYXJOUSA-N 1 2 321.425 0.843 10 0 DCAELO Cc1cccc(C)c1OCC(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000154142958 396033245 /nfs/dbraw/zinc/03/32/45/396033245.db2.gz WCPJRRQDZAQCAJ-OAHLLOKOSA-N 1 2 322.405 0.492 10 0 DCAELO CC(C)OCCS(=O)(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261697983 396057645 /nfs/dbraw/zinc/05/76/45/396057645.db2.gz LJPUVRDQWNSPEX-CQSZACIVSA-N 1 2 313.423 0.783 10 0 DCAELO O=C1[C@H]([N@H+]2C[C@@H](O)C[C@@H]2CO)CCN1c1ccccc1Cl ZINC000249367387 396007093 /nfs/dbraw/zinc/00/70/93/396007093.db2.gz VOPRNSGCEHUWJU-UHIISALHSA-N 1 2 310.781 0.873 10 0 DCAELO O=C1[C@H]([N@@H+]2C[C@@H](O)C[C@@H]2CO)CCN1c1ccccc1Cl ZINC000249367387 396007097 /nfs/dbraw/zinc/00/70/97/396007097.db2.gz VOPRNSGCEHUWJU-UHIISALHSA-N 1 2 310.781 0.873 10 0 DCAELO C[C@@H]1CN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)CC[N@@H+]1CCO ZINC000249516786 396009205 /nfs/dbraw/zinc/00/92/05/396009205.db2.gz RRELQLOKQXDUCZ-JKXDFHQYSA-N 1 2 308.422 0.907 10 0 DCAELO C[C@@H]1CN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)CC[N@H+]1CCO ZINC000249516786 396009209 /nfs/dbraw/zinc/00/92/09/396009209.db2.gz RRELQLOKQXDUCZ-JKXDFHQYSA-N 1 2 308.422 0.907 10 0 DCAELO C[N@@H+]1CCC[C@@H]1c1nc(C2CN(C(=O)c3cc[nH]n3)C2)no1 ZINC000169782880 396092059 /nfs/dbraw/zinc/09/20/59/396092059.db2.gz IUDUIKWENNXFTH-LLVKDONJSA-N 1 2 302.338 0.799 10 0 DCAELO C[N@H+]1CCC[C@@H]1c1nc(C2CN(C(=O)c3cc[nH]n3)C2)no1 ZINC000169782880 396092063 /nfs/dbraw/zinc/09/20/63/396092063.db2.gz IUDUIKWENNXFTH-LLVKDONJSA-N 1 2 302.338 0.799 10 0 DCAELO C[N@@H+]1CCC[C@@H]1c1nc(C2CN(C(=O)c3ccn[nH]3)C2)no1 ZINC000169782880 396092066 /nfs/dbraw/zinc/09/20/66/396092066.db2.gz IUDUIKWENNXFTH-LLVKDONJSA-N 1 2 302.338 0.799 10 0 DCAELO C[N@H+]1CCC[C@@H]1c1nc(C2CN(C(=O)c3ccn[nH]3)C2)no1 ZINC000169782880 396092071 /nfs/dbraw/zinc/09/20/71/396092071.db2.gz IUDUIKWENNXFTH-LLVKDONJSA-N 1 2 302.338 0.799 10 0 DCAELO Cc1csc([C@@H]2C[N@H+](CCCS(N)(=O)=O)CCO2)n1 ZINC000170914486 396101756 /nfs/dbraw/zinc/10/17/56/396101756.db2.gz AJIRYOSJKAONER-JTQLQIEISA-N 1 2 305.425 0.503 10 0 DCAELO Cc1csc([C@@H]2C[N@@H+](CCCS(N)(=O)=O)CCO2)n1 ZINC000170914486 396101757 /nfs/dbraw/zinc/10/17/57/396101757.db2.gz AJIRYOSJKAONER-JTQLQIEISA-N 1 2 305.425 0.503 10 0 DCAELO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(CS(C)(=O)=O)o1 ZINC000171275303 396112638 /nfs/dbraw/zinc/11/26/38/396112638.db2.gz QUQQXJPZUXQHFC-JTQLQIEISA-N 1 2 300.380 0.648 10 0 DCAELO C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(CS(C)(=O)=O)o1 ZINC000171275303 396112641 /nfs/dbraw/zinc/11/26/41/396112641.db2.gz QUQQXJPZUXQHFC-JTQLQIEISA-N 1 2 300.380 0.648 10 0 DCAELO COC(=O)[C@@H]1C[C@H]1C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000171401236 396115820 /nfs/dbraw/zinc/11/58/20/396115820.db2.gz IEGUBMGJXHMCHN-VXGBXAGGSA-N 1 2 300.318 0.693 10 0 DCAELO O=C(NCCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)NC1CCCCC1 ZINC000263190755 396205161 /nfs/dbraw/zinc/20/51/61/396205161.db2.gz HVXYSKMVQAOHAI-NSHDSACASA-N 1 2 318.368 0.732 10 0 DCAELO O=C(NCCN1C(=O)Cc2ccccc21)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263303420 396212882 /nfs/dbraw/zinc/21/28/82/396212882.db2.gz XJBTVONKQSXRQF-NSHDSACASA-N 1 2 309.316 0.689 10 0 DCAELO CC(C)c1nnc2n1C[C@H](NC(=O)[C@@H]1CC(F)(F)C[NH2+]1)CC2 ZINC000263244794 396208509 /nfs/dbraw/zinc/20/85/09/396208509.db2.gz PDNDYQPHKFPHPE-ZJUUUORDSA-N 1 2 313.352 0.830 10 0 DCAELO O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCN(Cc2ccon2)CC1 ZINC000263237881 396208530 /nfs/dbraw/zinc/20/85/30/396208530.db2.gz OGWFWABFVONWLP-LLVKDONJSA-N 1 2 300.309 0.316 10 0 DCAELO O=C(CCN1C(=O)c2ccccc2C1=O)N1CCn2cc[nH+]c2C1 ZINC000074785091 396172122 /nfs/dbraw/zinc/17/21/22/396172122.db2.gz SMOGBSNTLUUFFP-UHFFFAOYSA-N 1 2 324.340 0.912 10 0 DCAELO O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCN(Cc2cccnc2)CC1 ZINC000262910413 396191282 /nfs/dbraw/zinc/19/12/82/396191282.db2.gz FRGQZCAEQYXXLQ-ZDUSSCGKSA-N 1 2 310.348 0.723 10 0 DCAELO Cc1cnn(C[C@@H]2CN(C(=O)[C@H]3CC(F)(F)C[NH2+]3)CCO2)c1 ZINC000263317302 396213422 /nfs/dbraw/zinc/21/34/22/396213422.db2.gz ZRLYHOSJCJPIDC-NWDGAFQWSA-N 1 2 314.336 0.416 10 0 DCAELO CC(C)(C)CC(=O)NC[C@H]1OC[C@@H]([NH2+]Cc2ncc[nH]2)[C@@H]1O ZINC000077263908 396216342 /nfs/dbraw/zinc/21/63/42/396216342.db2.gz PRSLNLIIHSMMBC-GYSYKLTISA-N 1 2 310.398 0.180 10 0 biogenic DCAELO O=c1c2ccccc2ncn1CC[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000185154582 396319484 /nfs/dbraw/zinc/31/94/84/396319484.db2.gz NLTDFHHTYNBIGE-KRWDZBQOSA-N 1 2 315.373 0.888 10 0 DCAELO O=c1c2ccccc2ncn1CC[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000185154582 396319485 /nfs/dbraw/zinc/31/94/85/396319485.db2.gz NLTDFHHTYNBIGE-KRWDZBQOSA-N 1 2 315.373 0.888 10 0 DCAELO O=C(N1CCCN(c2cccc[nH+]2)CC1)[C@]1(O)CCSC1 ZINC000184227580 396288505 /nfs/dbraw/zinc/28/85/05/396288505.db2.gz FTVTXLAAXWIECV-HNNXBMFYSA-N 1 2 307.419 0.988 10 0 DCAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CCC(CC(N)=O)CC1 ZINC000184276945 396289248 /nfs/dbraw/zinc/28/92/48/396289248.db2.gz XKHAYYNEIYZYLX-AWEZNQCLSA-N 1 2 311.426 0.601 10 0 DCAELO CCCC[N@H+]1CCOC[C@H]1C(=O)N1CCC(CC(N)=O)CC1 ZINC000184276945 396289251 /nfs/dbraw/zinc/28/92/51/396289251.db2.gz XKHAYYNEIYZYLX-AWEZNQCLSA-N 1 2 311.426 0.601 10 0 DCAELO COCCCCS(=O)(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000184767052 396306346 /nfs/dbraw/zinc/30/63/46/396306346.db2.gz IFJROAJXUQRFTD-ZDUSSCGKSA-N 1 2 306.428 0.196 10 0 DCAELO COCCCCS(=O)(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000184767052 396306350 /nfs/dbraw/zinc/30/63/50/396306350.db2.gz IFJROAJXUQRFTD-ZDUSSCGKSA-N 1 2 306.428 0.196 10 0 DCAELO CCc1cc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)ccc1C ZINC000186291481 396347079 /nfs/dbraw/zinc/34/70/79/396347079.db2.gz NQGUKRSNPJWZMS-UHFFFAOYSA-N 1 2 319.405 0.632 10 0 DCAELO C[C@H]1CN(c2cc(N3CCSCC3)[nH+]cn2)CC(=O)N1C ZINC000283487284 396341010 /nfs/dbraw/zinc/34/10/10/396341010.db2.gz KTBJVOILJPUXLA-NSHDSACASA-N 1 2 307.423 0.697 10 0 DCAELO C[C@H]1CN(c2cc(N3CCSCC3)nc[nH+]2)CC(=O)N1C ZINC000283487284 396341011 /nfs/dbraw/zinc/34/10/11/396341011.db2.gz KTBJVOILJPUXLA-NSHDSACASA-N 1 2 307.423 0.697 10 0 DCAELO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc(N)cc2)CC1 ZINC000186099091 396341383 /nfs/dbraw/zinc/34/13/83/396341383.db2.gz FTVFMZKLJLZPBE-ZDUSSCGKSA-N 1 2 313.423 0.346 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)NCC[C@](C)(O)c2ccccc2)C1 ZINC000186565683 396352581 /nfs/dbraw/zinc/35/25/81/396352581.db2.gz GURXGARRYZUZIP-RDJZCZTQSA-N 1 2 321.421 0.914 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)NCC[C@](C)(O)c2ccccc2)C1 ZINC000186565683 396352585 /nfs/dbraw/zinc/35/25/85/396352585.db2.gz GURXGARRYZUZIP-RDJZCZTQSA-N 1 2 321.421 0.914 10 0 DCAELO CC(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000186607177 396353417 /nfs/dbraw/zinc/35/34/17/396353417.db2.gz VPUKEPABRGNLIO-QLFBSQMISA-N 1 2 323.437 0.328 10 0 DCAELO CC(C)N1CC[C@H]([N@@H+]2CCO[C@](C)(c3cnn(C)c3)C2)C1=O ZINC000268488066 396359969 /nfs/dbraw/zinc/35/99/69/396359969.db2.gz PHDKYLOCBJDODT-HOCLYGCPSA-N 1 2 306.410 0.977 10 0 DCAELO CC(C)N1CC[C@H]([N@H+]2CCO[C@](C)(c3cnn(C)c3)C2)C1=O ZINC000268488066 396359971 /nfs/dbraw/zinc/35/99/71/396359971.db2.gz PHDKYLOCBJDODT-HOCLYGCPSA-N 1 2 306.410 0.977 10 0 DCAELO COc1cc(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)ncn1 ZINC000285897324 396360457 /nfs/dbraw/zinc/36/04/57/396360457.db2.gz JNYWSVSETNEDNP-GHMZBOCLSA-N 1 2 307.354 0.422 10 0 DCAELO COc1cc(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)ncn1 ZINC000285897324 396360460 /nfs/dbraw/zinc/36/04/60/396360460.db2.gz JNYWSVSETNEDNP-GHMZBOCLSA-N 1 2 307.354 0.422 10 0 DCAELO C[C@]1(O)CCN(C(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000188347565 396381861 /nfs/dbraw/zinc/38/18/61/396381861.db2.gz YQIOBRLPADLXKM-HNNXBMFYSA-N 1 2 301.350 0.934 10 0 DCAELO CN1CCC[N@H+](CCN2C(=O)c3ccccc3C2=O)CC1=O ZINC000191092905 396415301 /nfs/dbraw/zinc/41/53/01/396415301.db2.gz LYGURUBVKQBSMQ-UHFFFAOYSA-N 1 2 301.346 0.447 10 0 DCAELO CN1CCC[N@@H+](CCN2C(=O)c3ccccc3C2=O)CC1=O ZINC000191092905 396415303 /nfs/dbraw/zinc/41/53/03/396415303.db2.gz LYGURUBVKQBSMQ-UHFFFAOYSA-N 1 2 301.346 0.447 10 0 DCAELO C[C@H]1C(=O)NCCCN1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000191452751 396419643 /nfs/dbraw/zinc/41/96/43/396419643.db2.gz KPOJDXDXMMLIQV-LBPRGKRZSA-N 1 2 312.414 0.017 10 0 DCAELO C[C@H]1C(=O)NCCCN1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000191452751 396419645 /nfs/dbraw/zinc/41/96/45/396419645.db2.gz KPOJDXDXMMLIQV-LBPRGKRZSA-N 1 2 312.414 0.017 10 0 DCAELO C[C@H](O)CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000192437384 396431405 /nfs/dbraw/zinc/43/14/05/396431405.db2.gz MCSWZUSZBDTFTI-YNEHKIRRSA-N 1 2 322.409 0.875 10 0 DCAELO Cn1cc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)c(C2CC2)n1 ZINC000291898962 396518514 /nfs/dbraw/zinc/51/85/14/396518514.db2.gz MIBMDEKJEDIALK-KBPBESRZSA-N 1 2 304.394 0.843 10 0 DCAELO Cn1cc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)c(C2CC2)n1 ZINC000291898962 396518518 /nfs/dbraw/zinc/51/85/18/396518518.db2.gz MIBMDEKJEDIALK-KBPBESRZSA-N 1 2 304.394 0.843 10 0 DCAELO Cn1cc(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)c(C2CC2)n1 ZINC000291898968 396518862 /nfs/dbraw/zinc/51/88/62/396518862.db2.gz MIBMDEKJEDIALK-UONOGXRCSA-N 1 2 304.394 0.843 10 0 DCAELO Cn1cc(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)c(C2CC2)n1 ZINC000291898968 396518866 /nfs/dbraw/zinc/51/88/66/396518866.db2.gz MIBMDEKJEDIALK-UONOGXRCSA-N 1 2 304.394 0.843 10 0 DCAELO CNC(=O)c1cc(S(=O)(=O)Nc2cc(C)[nH+]cc2C)cn1C ZINC000533468413 396603165 /nfs/dbraw/zinc/60/31/65/396603165.db2.gz ZWFDMPURNKPGAF-UHFFFAOYSA-N 1 2 322.390 0.619 10 0 DCAELO CC(=O)c1ccc2c(c1)CC[N@@H+](Cc1nc(N)nc(N)n1)CC2 ZINC000374334964 396656598 /nfs/dbraw/zinc/65/65/98/396656598.db2.gz YHCHSAPFMVRWHI-UHFFFAOYSA-N 1 2 312.377 0.500 10 0 DCAELO CC(=O)c1ccc2c(c1)CC[N@H+](Cc1nc(N)nc(N)n1)CC2 ZINC000374334964 396656601 /nfs/dbraw/zinc/65/66/01/396656601.db2.gz YHCHSAPFMVRWHI-UHFFFAOYSA-N 1 2 312.377 0.500 10 0 DCAELO O[C@@H](CN1CCOc2cccc(F)c2C1)C[NH+]1CCOCC1 ZINC000374505046 396668997 /nfs/dbraw/zinc/66/89/97/396668997.db2.gz MUTCDOUMNJSKLF-CYBMUJFWSA-N 1 2 310.369 0.713 10 0 DCAELO O[C@H](CN1CCOCC1)C[N@@H+]1CCOc2cccc(F)c2C1 ZINC000374505046 396668998 /nfs/dbraw/zinc/66/89/98/396668998.db2.gz MUTCDOUMNJSKLF-CYBMUJFWSA-N 1 2 310.369 0.713 10 0 DCAELO O[C@H](CN1CCOCC1)C[N@H+]1CCOc2cccc(F)c2C1 ZINC000374505046 396669000 /nfs/dbraw/zinc/66/90/00/396669000.db2.gz MUTCDOUMNJSKLF-CYBMUJFWSA-N 1 2 310.369 0.713 10 0 DCAELO Cc1nn(C[C@H](O)C[NH+]2CCOCC2)c(C)c1Br ZINC000305355437 396744289 /nfs/dbraw/zinc/74/42/89/396744289.db2.gz XLUVMTBGHQWZKW-LLVKDONJSA-N 1 2 318.215 0.956 10 0 DCAELO CN(C[C@H]1C[N@H+](C)CCO1)C(=O)Cc1nc(C2CC2)nn1C ZINC000633918622 396746205 /nfs/dbraw/zinc/74/62/05/396746205.db2.gz QIDCPGZSAVBQRQ-GFCCVEGCSA-N 1 2 307.398 0.024 10 0 DCAELO CN(C[C@H]1C[N@@H+](C)CCO1)C(=O)Cc1nc(C2CC2)nn1C ZINC000633918622 396746212 /nfs/dbraw/zinc/74/62/12/396746212.db2.gz QIDCPGZSAVBQRQ-GFCCVEGCSA-N 1 2 307.398 0.024 10 0 DCAELO CCN1CCN(C(=O)[C@]2(O)CCSC2)C[C@H]1c1[nH+]ccn1C ZINC000328630286 396827326 /nfs/dbraw/zinc/82/73/26/396827326.db2.gz PSSGRWKATDEEQF-WFASDCNBSA-N 1 2 324.450 0.493 10 0 DCAELO COc1ncccc1C(=O)N1CCN(C)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000328645519 396828495 /nfs/dbraw/zinc/82/84/95/396828495.db2.gz ZTHPYXJVRAQQHB-GFCCVEGCSA-N 1 2 301.350 0.942 10 0 DCAELO C[N@H+](C[C@@H]1C[C@H](F)CN1Cc1cncnc1)[C@@H]1CCOC1=O ZINC000328656938 396831606 /nfs/dbraw/zinc/83/16/06/396831606.db2.gz ZVGIOFBHHQWLDF-MELADBBJSA-N 1 2 308.357 0.636 10 0 DCAELO C[N@@H+](C[C@@H]1C[C@H](F)CN1Cc1cncnc1)[C@@H]1CCOC1=O ZINC000328656938 396831609 /nfs/dbraw/zinc/83/16/09/396831609.db2.gz ZVGIOFBHHQWLDF-MELADBBJSA-N 1 2 308.357 0.636 10 0 DCAELO COCCCS(=O)(=O)NCC[N@@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000375728166 396806039 /nfs/dbraw/zinc/80/60/39/396806039.db2.gz YIENLSHEUXPMHO-CYBMUJFWSA-N 1 2 316.427 0.503 10 0 DCAELO COCCCS(=O)(=O)NCC[N@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000375728166 396806044 /nfs/dbraw/zinc/80/60/44/396806044.db2.gz YIENLSHEUXPMHO-CYBMUJFWSA-N 1 2 316.427 0.503 10 0 DCAELO CCCCNC(=O)C[NH+]1CCN([C@@H](C(=O)OC)C2CC2)CC1 ZINC000611659781 396904483 /nfs/dbraw/zinc/90/44/83/396904483.db2.gz GKEROMIDMZQGKT-OAHLLOKOSA-N 1 2 311.426 0.472 10 0 DCAELO CC1(C)[C@H](NC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C[C@@H]1O ZINC000573103383 397135123 /nfs/dbraw/zinc/13/51/23/397135123.db2.gz BUIOVAVANXBCCV-MNOVXSKESA-N 1 2 302.334 0.548 10 0 DCAELO c1nc2nc(=NCC[NH+]3CCOCC3)cc(-c3ccccc3)n2[nH]1 ZINC000631033256 397158829 /nfs/dbraw/zinc/15/88/29/397158829.db2.gz YLYZVJQCMJJYAB-UHFFFAOYSA-N 1 2 324.388 0.957 10 0 DCAELO CC(=O)N[C@H]1CCCN(C(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000407968406 397340890 /nfs/dbraw/zinc/34/08/90/397340890.db2.gz SWIKVINXZZTHNW-JSGCOSHPSA-N 1 2 312.414 0.017 10 0 DCAELO C[C@@H](C(=O)NCC(F)(F)F)[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000408041518 397345049 /nfs/dbraw/zinc/34/50/49/397345049.db2.gz HIEQGDFHJIPOKL-YIZRAAEISA-N 1 2 308.304 0.151 10 0 DCAELO C[C@@H](C(=O)NCC(F)(F)F)[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000408041518 397345055 /nfs/dbraw/zinc/34/50/55/397345055.db2.gz HIEQGDFHJIPOKL-YIZRAAEISA-N 1 2 308.304 0.151 10 0 DCAELO C[C@H]1CC[S@@](=O)CC[N@@H+]1CCN1C(=O)NC(C)(C)C1=O ZINC000408397799 397355554 /nfs/dbraw/zinc/35/55/54/397355554.db2.gz ZIKQFGZTPTZJJK-WVDJIFEKSA-N 1 2 301.412 0.160 10 0 DCAELO C[C@H]1CC[S@@](=O)CC[N@H+]1CCN1C(=O)NC(C)(C)C1=O ZINC000408397799 397355560 /nfs/dbraw/zinc/35/55/60/397355560.db2.gz ZIKQFGZTPTZJJK-WVDJIFEKSA-N 1 2 301.412 0.160 10 0 DCAELO CC(=O)c1cccc(OC[C@H](O)C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)c1 ZINC000593100557 397326637 /nfs/dbraw/zinc/32/66/37/397326637.db2.gz LCKGSTMBKZVVHE-NAYXTTFHSA-N 1 2 323.414 0.834 10 0 DCAELO CC(=O)c1cccc(OC[C@H](O)C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)c1 ZINC000593100557 397326639 /nfs/dbraw/zinc/32/66/39/397326639.db2.gz LCKGSTMBKZVVHE-NAYXTTFHSA-N 1 2 323.414 0.834 10 0 DCAELO CCOC(=O)[C@@](C)(O)CNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000614175909 397392575 /nfs/dbraw/zinc/39/25/75/397392575.db2.gz OGIWISHZAYHPMB-AWEZNQCLSA-N 1 2 306.322 0.770 10 0 DCAELO CC(=O)c1cc(CN2CC[NH+](CCC(=O)N(C)C)CC2)on1 ZINC000578202323 397404956 /nfs/dbraw/zinc/40/49/56/397404956.db2.gz DSYZCOZGABLHNK-UHFFFAOYSA-N 1 2 308.382 0.473 10 0 DCAELO Cc1nnc(CC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)o1 ZINC000606231869 397678378 /nfs/dbraw/zinc/67/83/78/397678378.db2.gz PNPCNIFYDAOAOS-CYBMUJFWSA-N 1 2 308.382 0.634 10 0 DCAELO CNC(=O)[C@]1(COC)CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000606444922 397681587 /nfs/dbraw/zinc/68/15/87/397681587.db2.gz FXYJIYNTPYRBLQ-XHBSWPGZSA-N 1 2 320.393 0.277 10 0 DCAELO O=C(NCCCN1C(=O)CNC1=O)Nc1ccc2[nH+]ccn2c1 ZINC000606583959 397683952 /nfs/dbraw/zinc/68/39/52/397683952.db2.gz VDCIMHGLEOHXSO-UHFFFAOYSA-N 1 2 316.321 0.398 10 0 DCAELO CCCS(=O)(=O)CC(=O)NCCCC[NH+]1CCOCC1 ZINC000055259949 158023200 /nfs/dbraw/zinc/02/32/00/158023200.db2.gz JHQFWACEEHDYDY-UHFFFAOYSA-N 1 2 306.428 0.040 10 0 DCAELO O=C(NCCn1ccnc1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000080575227 158081050 /nfs/dbraw/zinc/08/10/50/158081050.db2.gz VFEAALAPBNRTNB-HNNXBMFYSA-N 1 2 321.425 0.779 10 0 DCAELO O=C(Nc1ccc2c(c1)COC2)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000092244409 158112610 /nfs/dbraw/zinc/11/26/10/158112610.db2.gz MRRHQZONWDJMBW-UHFFFAOYSA-N 1 2 315.373 0.962 10 0 DCAELO CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3cnn(C)c3)CC2)C1 ZINC000105846087 158130443 /nfs/dbraw/zinc/13/04/43/158130443.db2.gz YVTQALBBZGRVSJ-KRWDZBQOSA-N 1 2 321.469 0.647 10 0 DCAELO CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3cnn(C)c3)CC2)C1 ZINC000105846087 158130445 /nfs/dbraw/zinc/13/04/45/158130445.db2.gz YVTQALBBZGRVSJ-KRWDZBQOSA-N 1 2 321.469 0.647 10 0 DCAELO CC(C)CN(C(=O)C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1)C(C)C ZINC000116889628 158166898 /nfs/dbraw/zinc/16/68/98/158166898.db2.gz FPBSMSWWTJZXMZ-ZDUSSCGKSA-N 1 2 319.471 0.503 10 0 DCAELO CC(C)CN(C(=O)C[N@H+]1CC[C@H](NS(C)(=O)=O)C1)C(C)C ZINC000116889628 158166901 /nfs/dbraw/zinc/16/69/01/158166901.db2.gz FPBSMSWWTJZXMZ-ZDUSSCGKSA-N 1 2 319.471 0.503 10 0 DCAELO CC[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116892300 158168723 /nfs/dbraw/zinc/16/87/23/158168723.db2.gz VKUSAAXOKMRALP-STQMWFEESA-N 1 2 317.455 0.401 10 0 DCAELO CC[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116892300 158168725 /nfs/dbraw/zinc/16/87/25/158168725.db2.gz VKUSAAXOKMRALP-STQMWFEESA-N 1 2 317.455 0.401 10 0 DCAELO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)CCc2nnc[nH]2)C1 ZINC000120236321 158195387 /nfs/dbraw/zinc/19/53/87/158195387.db2.gz AOTJXWNAHIIZMB-GFCCVEGCSA-N 1 2 302.382 0.952 10 0 DCAELO C[C@@H]1CCCN(S(=O)(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000123641103 158233243 /nfs/dbraw/zinc/23/32/43/158233243.db2.gz AICWCJVBJYTHGG-TZMCWYRMSA-N 1 2 317.455 0.416 10 0 DCAELO C[C@@H]1CCCN(S(=O)(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000123641103 158233245 /nfs/dbraw/zinc/23/32/45/158233245.db2.gz AICWCJVBJYTHGG-TZMCWYRMSA-N 1 2 317.455 0.416 10 0 DCAELO C[C@@H](CNC(=O)NCCCN1CCCC1=O)[NH+]1CCOCC1 ZINC000125001662 158248955 /nfs/dbraw/zinc/24/89/55/158248955.db2.gz NPBSQDHHCPKNAT-ZDUSSCGKSA-N 1 2 312.414 0.019 10 0 DCAELO CC(=O)N1CCC[C@H](C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000127407978 158272340 /nfs/dbraw/zinc/27/23/40/158272340.db2.gz UXYVMQHUKVNAQP-ZFWWWQNUSA-N 1 2 309.410 0.224 10 0 DCAELO CC(=O)N1CCC[C@H](C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000127407978 158272344 /nfs/dbraw/zinc/27/23/44/158272344.db2.gz UXYVMQHUKVNAQP-ZFWWWQNUSA-N 1 2 309.410 0.224 10 0 DCAELO COCC(=O)N1CCN(Cc2c[nH+]c3cc(C)ccn23)CC1 ZINC000128686482 158282825 /nfs/dbraw/zinc/28/28/25/158282825.db2.gz XLOMIYFCGDLPTO-UHFFFAOYSA-N 1 2 302.378 0.933 10 0 DCAELO Cc1[nH]nc(C(C)C)c1C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000129073746 158285210 /nfs/dbraw/zinc/28/52/10/158285210.db2.gz SMSFUAABEOXANE-ZDUSSCGKSA-N 1 2 324.425 0.607 10 0 DCAELO Cc1n[nH]c(C(C)C)c1C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000129073746 158285211 /nfs/dbraw/zinc/28/52/11/158285211.db2.gz SMSFUAABEOXANE-ZDUSSCGKSA-N 1 2 324.425 0.607 10 0 DCAELO COC(=O)[C@@H]1C[C@H]1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000170756611 158376258 /nfs/dbraw/zinc/37/62/58/158376258.db2.gz FZKPHSCUGLSWIW-CHWSQXEVSA-N 1 2 303.362 0.976 10 0 DCAELO CNC(=O)c1cccc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000172742466 158398492 /nfs/dbraw/zinc/39/84/92/158398492.db2.gz DPJLIYMMRCVIDU-OAHLLOKOSA-N 1 2 317.389 0.593 10 0 DCAELO CC(C)(C)CC(=O)NCC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172756319 158399025 /nfs/dbraw/zinc/39/90/25/158399025.db2.gz NMNNXLIMWXGAFL-CYBMUJFWSA-N 1 2 311.426 0.472 10 0 DCAELO CC(C)Cn1cc[nH+]c1CNC(=O)N[C@H]1CCc2ncnn2C1 ZINC000175121374 158424056 /nfs/dbraw/zinc/42/40/56/158424056.db2.gz YQTHSRORMLQWBF-LBPRGKRZSA-N 1 2 317.397 0.945 10 0 DCAELO CC(C)(C)C(=O)NCCCC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178649878 158461624 /nfs/dbraw/zinc/46/16/24/158461624.db2.gz XQQFCFUGPPAZIS-ZDUSSCGKSA-N 1 2 310.442 0.045 10 0 DCAELO O=C(c1cc2n(n1)CCCO2)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000328640675 159016819 /nfs/dbraw/zinc/01/68/19/159016819.db2.gz CUZXOJVCICYTID-AWEZNQCLSA-N 1 2 313.361 0.847 10 0 DCAELO CN1C[C@@H](C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)CC1=O ZINC000328653733 159017994 /nfs/dbraw/zinc/01/79/94/159017994.db2.gz LHRSKVAWWAYAPH-JSGCOSHPSA-N 1 2 305.353 0.777 10 0 DCAELO C[C@H]1CCO[C@H]1c1nnc(N2CC[C@H]([NH+]3CCOCC3)C2)n1C ZINC000328716402 159023867 /nfs/dbraw/zinc/02/38/67/159023867.db2.gz OUJGFTDENVJDJO-MELADBBJSA-N 1 2 321.425 0.824 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnc4nccnc4c3)C[C@@H]21 ZINC000328852414 159034818 /nfs/dbraw/zinc/03/48/18/159034818.db2.gz BUBOTCPXLYGKLB-UONOGXRCSA-N 1 2 313.361 0.570 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnc4nccnc4c3)C[C@@H]21 ZINC000328852414 159034819 /nfs/dbraw/zinc/03/48/19/159034819.db2.gz BUBOTCPXLYGKLB-UONOGXRCSA-N 1 2 313.361 0.570 10 0 DCAELO Cn1nnc2cc(C(=O)N3CC[C@H]4OCC[N@H+](C)[C@@H]4C3)ccc21 ZINC000328923506 159041719 /nfs/dbraw/zinc/04/17/19/159041719.db2.gz UXNZZZMOIGVTSI-HUUCEWRRSA-N 1 2 315.377 0.513 10 0 DCAELO Cn1nnc2cc(C(=O)N3CC[C@H]4OCC[N@@H+](C)[C@@H]4C3)ccc21 ZINC000328923506 159041722 /nfs/dbraw/zinc/04/17/22/159041722.db2.gz UXNZZZMOIGVTSI-HUUCEWRRSA-N 1 2 315.377 0.513 10 0 DCAELO CN(C(=O)[C@@H]1COCC[N@@H+]1CC1CCC1)[C@@H]1CCN(C)C1=O ZINC000329286323 159079006 /nfs/dbraw/zinc/07/90/06/159079006.db2.gz MBVCHTUNDQUXMU-KGLIPLIRSA-N 1 2 309.410 0.176 10 0 DCAELO CN(C(=O)[C@@H]1COCC[N@H+]1CC1CCC1)[C@@H]1CCN(C)C1=O ZINC000329286323 159079009 /nfs/dbraw/zinc/07/90/09/159079009.db2.gz MBVCHTUNDQUXMU-KGLIPLIRSA-N 1 2 309.410 0.176 10 0 DCAELO O=S(=O)(c1cnn2c1OCCC2)N1CC[NH+](C2CC2)CC1 ZINC000329728842 159115296 /nfs/dbraw/zinc/11/52/96/159115296.db2.gz PBSCNQABVBVYMK-UHFFFAOYSA-N 1 2 312.395 0.134 10 0 DCAELO CS(=O)(=O)C1(C(=O)N2CC[NH+]3CCC2CC3)CCCC1 ZINC000329954526 159131018 /nfs/dbraw/zinc/13/10/18/159131018.db2.gz NUNAUVLYOFOPLS-UHFFFAOYSA-N 1 2 300.424 0.650 10 0 DCAELO CCn1cncc1S(=O)(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000330267537 159155012 /nfs/dbraw/zinc/15/50/12/159155012.db2.gz QPTGXCNAZXKPJK-LBPRGKRZSA-N 1 2 314.411 0.045 10 0 DCAELO CCn1cncc1S(=O)(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000330267537 159155016 /nfs/dbraw/zinc/15/50/16/159155016.db2.gz QPTGXCNAZXKPJK-LBPRGKRZSA-N 1 2 314.411 0.045 10 0 DCAELO C[C@@H](CNC(=O)C[C@H]1CCCCNC1=O)[NH+]1CCN(C)CC1 ZINC000332746321 159212902 /nfs/dbraw/zinc/21/29/02/159212902.db2.gz JFZWWQLTNGMBAO-UONOGXRCSA-N 1 2 310.442 0.045 10 0 DCAELO CC(=O)N1CSC[C@@H]1C(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000367082732 159311330 /nfs/dbraw/zinc/31/13/30/159311330.db2.gz AGQQXNQXPFPNRK-ZIAGYGMSSA-N 1 2 320.418 0.476 10 0 DCAELO COc1ccncc1C[N@@H+]1CC[C@@]2(C1)NC(=O)N(C(C)C)C2=O ZINC000367750794 159354207 /nfs/dbraw/zinc/35/42/07/159354207.db2.gz BZXCTHLMQTXLFG-INIZCTEOSA-N 1 2 318.377 0.995 10 0 DCAELO COc1ccncc1C[N@H+]1CC[C@@]2(C1)NC(=O)N(C(C)C)C2=O ZINC000367750794 159354210 /nfs/dbraw/zinc/35/42/10/159354210.db2.gz BZXCTHLMQTXLFG-INIZCTEOSA-N 1 2 318.377 0.995 10 0 DCAELO CO[C@@H]1CC[C@H]2OCC[N@H+](CC(=O)NC(=O)NC3CC3)[C@@H]2C1 ZINC000407993787 160005595 /nfs/dbraw/zinc/00/55/95/160005595.db2.gz UGTNLACXQWLCTG-JHJVBQTASA-N 1 2 311.382 0.243 10 0 DCAELO CO[C@@H]1CC[C@H]2OCC[N@@H+](CC(=O)NC(=O)NC3CC3)[C@@H]2C1 ZINC000407993787 160005597 /nfs/dbraw/zinc/00/55/97/160005597.db2.gz UGTNLACXQWLCTG-JHJVBQTASA-N 1 2 311.382 0.243 10 0 DCAELO O=C(C[N@H+]1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O)N1CCOCC1 ZINC000408043028 160020973 /nfs/dbraw/zinc/02/09/73/160020973.db2.gz IYRXTPOUTNFOPB-KFWWJZLASA-N 1 2 312.410 0.097 10 0 DCAELO O=C(C[N@@H+]1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O)N1CCOCC1 ZINC000408043028 160020976 /nfs/dbraw/zinc/02/09/76/160020976.db2.gz IYRXTPOUTNFOPB-KFWWJZLASA-N 1 2 312.410 0.097 10 0 DCAELO C[C@@H]1C[C@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)CC(=O)N1 ZINC000408166967 160050918 /nfs/dbraw/zinc/05/09/18/160050918.db2.gz VLYFLZYBQMSLDW-OLZOCXBDSA-N 1 2 302.378 0.645 10 0 DCAELO CN(C)S(=O)(=O)CC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000408186954 160055263 /nfs/dbraw/zinc/05/52/63/160055263.db2.gz YMQXNNYLEVHNKH-UHFFFAOYSA-N 1 2 300.384 0.007 10 0 DCAELO CN(C)S(=O)(=O)CC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000408186954 160055265 /nfs/dbraw/zinc/05/52/65/160055265.db2.gz YMQXNNYLEVHNKH-UHFFFAOYSA-N 1 2 300.384 0.007 10 0 DCAELO C[C@@H]1CCCN(C(=O)C[N@H+](C)C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000408215835 160061829 /nfs/dbraw/zinc/06/18/29/160061829.db2.gz ANXUIJGQRMBPAX-OLZOCXBDSA-N 1 2 302.440 0.611 10 0 DCAELO C[C@@H]1CCCN(C(=O)C[N@@H+](C)C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000408215835 160061830 /nfs/dbraw/zinc/06/18/30/160061830.db2.gz ANXUIJGQRMBPAX-OLZOCXBDSA-N 1 2 302.440 0.611 10 0 DCAELO Cc1cc[nH+]cc1N1CCN(S(=O)(=O)N2CCCC2)CC1 ZINC000408231066 160064407 /nfs/dbraw/zinc/06/44/07/160064407.db2.gz FMRBBRVWESMQKW-UHFFFAOYSA-N 1 2 310.423 0.853 10 0 DCAELO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000408232395 160065721 /nfs/dbraw/zinc/06/57/21/160065721.db2.gz NZDJYYWFOFECQK-RKDXNWHRSA-N 1 2 304.334 0.312 10 0 DCAELO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000408232395 160065723 /nfs/dbraw/zinc/06/57/23/160065723.db2.gz NZDJYYWFOFECQK-RKDXNWHRSA-N 1 2 304.334 0.312 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3ccc(NC(N)=O)cc3)C[C@H]21 ZINC000408295744 160078901 /nfs/dbraw/zinc/07/89/01/160078901.db2.gz WLHJTCBPOQNKHE-CHWSQXEVSA-N 1 2 304.350 0.332 10 0 DCAELO C[N@H+]1CCO[C@@H]2CN(C(=O)c3ccc(NC(N)=O)cc3)C[C@H]21 ZINC000408295744 160078906 /nfs/dbraw/zinc/07/89/06/160078906.db2.gz WLHJTCBPOQNKHE-CHWSQXEVSA-N 1 2 304.350 0.332 10 0 DCAELO CC1CC[NH+](CC(=O)N(C)C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000408306722 160081816 /nfs/dbraw/zinc/08/18/16/160081816.db2.gz BDUIYNYSECEKOV-ZDUSSCGKSA-N 1 2 302.440 0.611 10 0 DCAELO CC(=O)N1CC[C@@H](C(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000408354266 160090956 /nfs/dbraw/zinc/09/09/56/160090956.db2.gz JGVLMTNBAXLFEZ-CQSZACIVSA-N 1 2 305.378 0.792 10 0 DCAELO Cn1cc(NC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)cn1 ZINC000408390464 160098380 /nfs/dbraw/zinc/09/83/80/160098380.db2.gz VVECOUVGCROPQZ-LBPRGKRZSA-N 1 2 303.370 0.674 10 0 DCAELO C[C@H](CNC(=O)N1CCC(CC(N)=O)CC1)[NH+]1CCOCC1 ZINC000126512644 286971995 /nfs/dbraw/zinc/97/19/95/286971995.db2.gz CFRQHXJNVWIBON-GFCCVEGCSA-N 1 2 312.414 0.004 10 0 DCAELO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)CCCCOC)CC1 ZINC000136127794 287025504 /nfs/dbraw/zinc/02/55/04/287025504.db2.gz AZYKBUGISFTTFB-CYBMUJFWSA-N 1 2 308.444 0.131 10 0 DCAELO Cc1nc(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)c(=O)[nH]c1C ZINC000152777911 287044243 /nfs/dbraw/zinc/04/42/43/287044243.db2.gz LLBRPGCIZIRJDF-NWDGAFQWSA-N 1 2 308.382 0.226 10 0 DCAELO COc1cccc(CN(C)C(=O)C[N@@H+]2CCNC(=O)CC2)c1 ZINC000073350278 415419952 /nfs/dbraw/zinc/41/99/52/415419952.db2.gz WGDUGTFBOSMFRR-UHFFFAOYSA-N 1 2 305.378 0.476 10 0 DCAELO COc1cccc(CN(C)C(=O)C[N@H+]2CCNC(=O)CC2)c1 ZINC000073350278 415419959 /nfs/dbraw/zinc/41/99/59/415419959.db2.gz WGDUGTFBOSMFRR-UHFFFAOYSA-N 1 2 305.378 0.476 10 0 DCAELO C[C@H]1CN(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CCS1(=O)=O ZINC000332877678 415501800 /nfs/dbraw/zinc/50/18/00/415501800.db2.gz DUMYAHOJYNKFGN-UWVGGRQHSA-N 1 2 312.395 0.096 10 0 DCAELO C[C@H]1CN(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CCS1(=O)=O ZINC000332877678 415501807 /nfs/dbraw/zinc/50/18/07/415501807.db2.gz DUMYAHOJYNKFGN-UWVGGRQHSA-N 1 2 312.395 0.096 10 0 DCAELO COCC1(CNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)CCC1 ZINC000332761844 415466145 /nfs/dbraw/zinc/46/61/45/415466145.db2.gz UNORXHIBUAJVOE-ZIAGYGMSSA-N 1 2 311.426 0.918 10 0 DCAELO COCC1(CNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)CCC1 ZINC000332761844 415466150 /nfs/dbraw/zinc/46/61/50/415466150.db2.gz UNORXHIBUAJVOE-ZIAGYGMSSA-N 1 2 311.426 0.918 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)CNC(=O)c3ccsc3)C[C@@H]21 ZINC000332754409 415467680 /nfs/dbraw/zinc/46/76/80/415467680.db2.gz FMKVMOINSCYWQJ-STQMWFEESA-N 1 2 323.418 0.409 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)CNC(=O)c3ccsc3)C[C@@H]21 ZINC000332754409 415467686 /nfs/dbraw/zinc/46/76/86/415467686.db2.gz FMKVMOINSCYWQJ-STQMWFEESA-N 1 2 323.418 0.409 10 0 DCAELO Cn1cnc2c1c(=O)n(CCC[N@H+](C)CC(F)F)c(=O)n2C ZINC000103488363 415615591 /nfs/dbraw/zinc/61/55/91/415615591.db2.gz HELDHIPPRDMFJY-UHFFFAOYSA-N 1 2 315.324 0.021 10 0 DCAELO Cn1cnc2c1c(=O)n(CCC[N@@H+](C)CC(F)F)c(=O)n2C ZINC000103488363 415615598 /nfs/dbraw/zinc/61/55/98/415615598.db2.gz HELDHIPPRDMFJY-UHFFFAOYSA-N 1 2 315.324 0.021 10 0 DCAELO CC(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000106817326 415646875 /nfs/dbraw/zinc/64/68/75/415646875.db2.gz QCOBMFVGNFKXCR-GJZGRUSLSA-N 1 2 324.469 0.386 10 0 DCAELO NS(=O)(=O)N1CC[NH+](Cc2ccccc2OC2CC2)CC1 ZINC000290166898 415772552 /nfs/dbraw/zinc/77/25/52/415772552.db2.gz YAXUQEKTTLNZRQ-UHFFFAOYSA-N 1 2 311.407 0.549 10 0 DCAELO COCCC[N@H+](C[C@@H](O)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000121591736 415812929 /nfs/dbraw/zinc/81/29/29/415812929.db2.gz PLFAYQLOMGWJJL-NXEZZACHSA-N 1 2 319.345 0.435 10 0 DCAELO COCCC[N@@H+](C[C@@H](O)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000121591736 415812932 /nfs/dbraw/zinc/81/29/32/415812932.db2.gz PLFAYQLOMGWJJL-NXEZZACHSA-N 1 2 319.345 0.435 10 0 DCAELO C[C@H](c1ccccc1)N(CC(N)=O)C[C@@H](O)C[NH+]1CCOCC1 ZINC000130835059 415923852 /nfs/dbraw/zinc/92/38/52/415923852.db2.gz XWQNAHPXQQKMPZ-ZBFHGGJFSA-N 1 2 321.421 0.228 10 0 DCAELO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N1CCNC(=O)CC1 ZINC000153192604 415977623 /nfs/dbraw/zinc/97/76/23/415977623.db2.gz NJWIUWNRDAMUKC-LBPRGKRZSA-N 1 2 303.366 0.192 10 0 DCAELO CCC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172750389 416047376 /nfs/dbraw/zinc/04/73/76/416047376.db2.gz QTTGTOYOVXARSH-LSDHHAIUSA-N 1 2 323.437 0.711 10 0 DCAELO C[C@H](CNC(=O)NCCc1cccc(O)c1)[NH+]1CCOCC1 ZINC000170696520 416028226 /nfs/dbraw/zinc/02/82/26/416028226.db2.gz GXXUJRUMWYEFPL-CYBMUJFWSA-N 1 2 307.394 0.955 10 0 DCAELO CC(=O)c1cccc(OC[C@H](O)C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000338368651 416086233 /nfs/dbraw/zinc/08/62/33/416086233.db2.gz HLCJAODPFPWGKP-OIISXLGYSA-N 1 2 321.373 0.729 10 0 DCAELO CC(=O)c1cccc(OC[C@H](O)C[N@H+]2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000338368651 416086237 /nfs/dbraw/zinc/08/62/37/416086237.db2.gz HLCJAODPFPWGKP-OIISXLGYSA-N 1 2 321.373 0.729 10 0 DCAELO O=CNc1ccc(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cc1 ZINC000174869235 416087563 /nfs/dbraw/zinc/08/75/63/416087563.db2.gz UKKMBKRHFAUZMZ-HNNXBMFYSA-N 1 2 303.362 0.848 10 0 DCAELO O=CNc1ccc(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cc1 ZINC000174869235 416087567 /nfs/dbraw/zinc/08/75/67/416087567.db2.gz UKKMBKRHFAUZMZ-HNNXBMFYSA-N 1 2 303.362 0.848 10 0 DCAELO C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)Nc2ccon2)C1 ZINC000328655961 416125270 /nfs/dbraw/zinc/12/52/70/416125270.db2.gz YVVNTZVSFOKXSH-NSHDSACASA-N 1 2 302.338 1.203 10 0 DCAELO C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)Nc2ccon2)C1 ZINC000328655961 416125273 /nfs/dbraw/zinc/12/52/73/416125273.db2.gz YVVNTZVSFOKXSH-NSHDSACASA-N 1 2 302.338 1.203 10 0 DCAELO C[C@@H]1CN(C(=O)[C@@H]2CCCn3ccnc32)C[C@@H]1[NH+]1CCOCC1 ZINC000176475799 416126805 /nfs/dbraw/zinc/12/68/05/416126805.db2.gz GBANHJNCHBZVNP-KFWWJZLASA-N 1 2 318.421 0.940 10 0 DCAELO CC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000328856927 416135602 /nfs/dbraw/zinc/13/56/02/416135602.db2.gz DBVKEACYQJVDGB-KFWWJZLASA-N 1 2 309.410 0.319 10 0 DCAELO CC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000328856927 416135605 /nfs/dbraw/zinc/13/56/05/416135605.db2.gz DBVKEACYQJVDGB-KFWWJZLASA-N 1 2 309.410 0.319 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)C[C@@H]21 ZINC000328874398 416135693 /nfs/dbraw/zinc/13/56/93/416135693.db2.gz JKAREAARDAWMFP-HZSPNIEDSA-N 1 2 323.437 0.565 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)C[C@@H]21 ZINC000328874398 416135694 /nfs/dbraw/zinc/13/56/94/416135694.db2.gz JKAREAARDAWMFP-HZSPNIEDSA-N 1 2 323.437 0.565 10 0 DCAELO CC(C)CC(=O)N[C@H](C(=O)NC[C@@H]1C[NH+]2CCN1CC2)C(C)C ZINC000178650556 416167329 /nfs/dbraw/zinc/16/73/29/416167329.db2.gz HYUMQMQDRZSZRT-ZBFHGGJFSA-N 1 2 324.469 0.289 10 0 DCAELO CO[C@H](C)c1nc(C)c(C(=O)NC[C@H]2C[NH+]3CCN2CC3)s1 ZINC000178732243 416170884 /nfs/dbraw/zinc/17/08/84/416170884.db2.gz CXZFVAVOSLIGJU-NEPJUHHUSA-N 1 2 324.450 0.889 10 0 DCAELO Cc1cc(F)cc(NC(=O)C(=O)NC[C@H]2C[NH+]3CCN2CC3)c1 ZINC000178966255 416179931 /nfs/dbraw/zinc/17/99/31/416179931.db2.gz SPFDPENRKVEOAJ-AWEZNQCLSA-N 1 2 320.368 0.189 10 0 DCAELO COCc1nc(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)no1 ZINC000182387252 416221573 /nfs/dbraw/zinc/22/15/73/416221573.db2.gz BZWHBKMBBUUYNJ-GFCCVEGCSA-N 1 2 324.381 0.287 10 0 DCAELO COCc1nc(C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)no1 ZINC000182387252 416221577 /nfs/dbraw/zinc/22/15/77/416221577.db2.gz BZWHBKMBBUUYNJ-GFCCVEGCSA-N 1 2 324.381 0.287 10 0 DCAELO COC(=O)C1CCC(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000341754302 416231530 /nfs/dbraw/zinc/23/15/30/416231530.db2.gz NYJDHXAVZAUPGL-PFSRBDOWSA-N 1 2 324.421 0.897 10 0 DCAELO COC(=O)C1CCC(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000341754302 416231534 /nfs/dbraw/zinc/23/15/34/416231534.db2.gz NYJDHXAVZAUPGL-PFSRBDOWSA-N 1 2 324.421 0.897 10 0 DCAELO CN(C)c1[nH+]cccc1CNC(=O)N[C@H](C(N)=O)C(C)(C)C ZINC000183365896 416239398 /nfs/dbraw/zinc/23/93/98/416239398.db2.gz LVEPWOQRTGKWOI-LLVKDONJSA-N 1 2 307.398 0.847 10 0 DCAELO CC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(CC(F)(F)F)C2=O)C1 ZINC000195237705 416325497 /nfs/dbraw/zinc/32/54/97/416325497.db2.gz HMWVLNAIFCKXOW-NXEZZACHSA-N 1 2 321.299 0.277 10 0 DCAELO CC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(CC(F)(F)F)C2=O)C1 ZINC000195237705 416325498 /nfs/dbraw/zinc/32/54/98/416325498.db2.gz HMWVLNAIFCKXOW-NXEZZACHSA-N 1 2 321.299 0.277 10 0 DCAELO CN1CCN(C(=O)NC[C@H]2CCCCO2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000583623255 416480198 /nfs/dbraw/zinc/48/01/98/416480198.db2.gz XLGNSZVGMQMLAM-CHWSQXEVSA-N 1 2 307.398 0.977 10 0 DCAELO COc1cccc(CCNC(=O)NCC[N@@H+]2CCOC[C@H]2C)n1 ZINC000441231521 416665361 /nfs/dbraw/zinc/66/53/61/416665361.db2.gz KQFSZDWTHOXNRS-CYBMUJFWSA-N 1 2 322.409 0.653 10 0 DCAELO COc1cccc(CCNC(=O)NCC[N@H+]2CCOC[C@H]2C)n1 ZINC000441231521 416665366 /nfs/dbraw/zinc/66/53/66/416665366.db2.gz KQFSZDWTHOXNRS-CYBMUJFWSA-N 1 2 322.409 0.653 10 0 DCAELO CCc1nc(C(C)(C)[NH2+]C[C@@H](O)CO[C@H](C)COC)no1 ZINC000441260098 416668112 /nfs/dbraw/zinc/66/81/12/416668112.db2.gz GGELZMWNXAZFDV-GHMZBOCLSA-N 1 2 301.387 0.869 10 0 DCAELO CCOC(=O)c1ccc([C@@H]2CN(S(N)(=O)=O)CC[NH2+]2)cc1 ZINC000616635875 417088002 /nfs/dbraw/zinc/08/80/02/417088002.db2.gz WWGPGANEUWRZRW-LBPRGKRZSA-N 1 2 313.379 0.013 10 0 DCAELO CC(C)N1C(=O)C[N@H+](C[C@H]2CCS(=O)(=O)C2)CC1(C)C ZINC000408400086 417158498 /nfs/dbraw/zinc/15/84/98/417158498.db2.gz OKEJCDUDZQNLLB-GFCCVEGCSA-N 1 2 302.440 0.752 10 0 DCAELO CC(C)N1C(=O)C[N@@H+](C[C@H]2CCS(=O)(=O)C2)CC1(C)C ZINC000408400086 417158504 /nfs/dbraw/zinc/15/85/04/417158504.db2.gz OKEJCDUDZQNLLB-GFCCVEGCSA-N 1 2 302.440 0.752 10 0 DCAELO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N2C[C@]3(C)COC[C@]3(C)C2)C1 ZINC000632552758 417159339 /nfs/dbraw/zinc/15/93/39/417159339.db2.gz YCWWPGVHQLXSDO-MCIONIFRSA-N 1 2 318.439 0.005 10 0 DCAELO C[N@H+]1CCO[C@@H](CS(=O)(=O)N2C[C@]3(C)COC[C@]3(C)C2)C1 ZINC000632552758 417159347 /nfs/dbraw/zinc/15/93/47/417159347.db2.gz YCWWPGVHQLXSDO-MCIONIFRSA-N 1 2 318.439 0.005 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCOC[C@H]1C(N)=O)C2 ZINC000527252192 417230357 /nfs/dbraw/zinc/23/03/57/417230357.db2.gz OPNUBRZDUQRPCY-MFKMUULPSA-N 1 2 320.393 0.351 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCOC[C@H]1C(N)=O)CC2 ZINC000527252192 417230362 /nfs/dbraw/zinc/23/03/62/417230362.db2.gz OPNUBRZDUQRPCY-MFKMUULPSA-N 1 2 320.393 0.351 10 0 DCAELO O[C@@H]1CN(c2cc(N3CCCC3)[nH+]cn2)C[C@H]1n1ccnn1 ZINC000631397065 417871533 /nfs/dbraw/zinc/87/15/33/417871533.db2.gz HTZVGBCBJNXWEO-VXGBXAGGSA-N 1 2 301.354 0.091 10 0 DCAELO O[C@@H]1CN(c2cc(N3CCCC3)nc[nH+]2)C[C@H]1n1ccnn1 ZINC000631397065 417871542 /nfs/dbraw/zinc/87/15/42/417871542.db2.gz HTZVGBCBJNXWEO-VXGBXAGGSA-N 1 2 301.354 0.091 10 0 DCAELO CC(C)Cc1nsc(N(C)C[C@@H](O)C[NH+]2CCOCC2)n1 ZINC000185536854 261120357 /nfs/dbraw/zinc/12/03/57/261120357.db2.gz ODCZLIQLYRHLCV-GFCCVEGCSA-N 1 2 314.455 0.866 10 0 DCAELO COc1cccc(OC)c1C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000187260740 261123199 /nfs/dbraw/zinc/12/31/99/261123199.db2.gz AKPHBRZKTZBQCB-LBPRGKRZSA-N 1 2 308.378 0.842 10 0 DCAELO COc1cccc(OC)c1C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000187260740 261123201 /nfs/dbraw/zinc/12/32/01/261123201.db2.gz AKPHBRZKTZBQCB-LBPRGKRZSA-N 1 2 308.378 0.842 10 0 DCAELO CCn1c(N)c(C(=O)C[NH2+][C@@H](C)c2ccc(C)o2)c(=O)[nH]c1=O ZINC000194413614 261146430 /nfs/dbraw/zinc/14/64/30/261146430.db2.gz JQXZWLNNAWTFPE-VIFPVBQESA-N 1 2 320.349 0.574 10 0 DCAELO O=C(NCC[NH+]1CCOCC1)NCc1ccc(CO)c(F)c1 ZINC000194908529 261149659 /nfs/dbraw/zinc/14/96/59/261149659.db2.gz GGORWRNLMJQXKF-UHFFFAOYSA-N 1 2 311.357 0.449 10 0 DCAELO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000362860897 262082085 /nfs/dbraw/zinc/08/20/85/262082085.db2.gz WWGFKJZTIPMWPR-CHWSQXEVSA-N 1 2 322.413 0.414 10 0 DCAELO CCN(C1CC[NH+]([C@H](C(=O)OC)C2CC2)CC1)S(C)(=O)=O ZINC000359606967 271130589 /nfs/dbraw/zinc/13/05/89/271130589.db2.gz ZAPWGKQPSFIFFB-ZDUSSCGKSA-N 1 2 318.439 0.684 10 0 DCAELO CC(C)OCC[NH+]1CCN(C(=O)C(=O)N(C)CC2CC2)CC1 ZINC000460005407 272023834 /nfs/dbraw/zinc/02/38/34/272023834.db2.gz DFGNXRIWGSTVFX-UHFFFAOYSA-N 1 2 311.426 0.424 10 0 DCAELO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000494714648 272228780 /nfs/dbraw/zinc/22/87/80/272228780.db2.gz XTEYYSLOFHUBGC-JKSUJKDBSA-N 1 2 316.401 0.760 10 0 DCAELO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000494714648 272228781 /nfs/dbraw/zinc/22/87/81/272228781.db2.gz XTEYYSLOFHUBGC-JKSUJKDBSA-N 1 2 316.401 0.760 10 0 DCAELO CC(=O)N1CSC[C@@H]1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000195078965 278063386 /nfs/dbraw/zinc/06/33/86/278063386.db2.gz JPXOUJUBOSBSHE-GFCCVEGCSA-N 1 2 308.407 0.685 10 0 DCAELO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCSC[C@@H]1CCO ZINC000547680006 288068192 /nfs/dbraw/zinc/06/81/92/288068192.db2.gz UNUSYCPVBJKDEW-NEPJUHHUSA-N 1 2 310.423 0.707 10 0 DCAELO Cc1nnc([C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)CCO2)[nH]1 ZINC000548091795 288110602 /nfs/dbraw/zinc/11/06/02/288110602.db2.gz BIYSJRRRZPPVGR-JQWIXIFHSA-N 1 2 316.365 0.856 10 0 DCAELO Cc1nc([C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)CCO2)n[nH]1 ZINC000548091795 288110604 /nfs/dbraw/zinc/11/06/04/288110604.db2.gz BIYSJRRRZPPVGR-JQWIXIFHSA-N 1 2 316.365 0.856 10 0 DCAELO C[C@H](CC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1)N1CCCCC1=O ZINC000328869263 279245946 /nfs/dbraw/zinc/24/59/46/279245946.db2.gz HNYCXUIJIIMOQU-KFWWJZLASA-N 1 2 323.437 0.709 10 0 DCAELO C[C@H](CC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1)N1CCCCC1=O ZINC000328869263 279245948 /nfs/dbraw/zinc/24/59/48/279245948.db2.gz HNYCXUIJIIMOQU-KFWWJZLASA-N 1 2 323.437 0.709 10 0 DCAELO C[C@@H]1C[N@@H+](CC(=O)Nc2nccs2)C[C@H]1N1CCOCC1 ZINC000246294540 288142583 /nfs/dbraw/zinc/14/25/83/288142583.db2.gz BGGHOOKJOCWDHZ-VXGBXAGGSA-N 1 2 310.423 0.734 10 0 DCAELO C[C@@H]1CN(CC(=O)Nc2nccs2)C[C@H]1[NH+]1CCOCC1 ZINC000246294540 288142578 /nfs/dbraw/zinc/14/25/78/288142578.db2.gz BGGHOOKJOCWDHZ-VXGBXAGGSA-N 1 2 310.423 0.734 10 0 DCAELO C[C@@H]1C[N@H+](CC(=O)Nc2nccs2)C[C@H]1N1CCOCC1 ZINC000246294540 288142581 /nfs/dbraw/zinc/14/25/81/288142581.db2.gz BGGHOOKJOCWDHZ-VXGBXAGGSA-N 1 2 310.423 0.734 10 0 DCAELO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1nnc2n1CCCC2 ZINC000173625343 279590119 /nfs/dbraw/zinc/59/01/19/279590119.db2.gz GZQLLXAWINXNMK-MNOVXSKESA-N 1 2 322.413 0.888 10 0 DCAELO O=C(c1ccc2n[nH]nc2c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172744724 280193704 /nfs/dbraw/zinc/19/37/04/280193704.db2.gz LLTFQGSUUZBRLY-LBPRGKRZSA-N 1 2 301.350 0.505 10 0 DCAELO C[C@@H]1CN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)CC[S@@](=O)C1 ZINC000277570384 288257752 /nfs/dbraw/zinc/25/77/52/288257752.db2.gz BAYAPTSIAIONFW-GIYNXVAASA-N 1 2 324.450 0.643 10 0 DCAELO C[C@@H]1CN(c2cc(N3CCC[C@@H]3CO)nc[nH+]2)CC[S@@](=O)C1 ZINC000277570384 288257754 /nfs/dbraw/zinc/25/77/54/288257754.db2.gz BAYAPTSIAIONFW-GIYNXVAASA-N 1 2 324.450 0.643 10 0 DCAELO C[C@@]1(CNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CCOC1 ZINC000552741821 288279680 /nfs/dbraw/zinc/27/96/80/288279680.db2.gz IPPMUMXGJDTQDT-HNNXBMFYSA-N 1 2 302.334 0.816 10 0 DCAELO COCCOCCCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000552723637 288279684 /nfs/dbraw/zinc/27/96/84/288279684.db2.gz RAHAZZMXUOWEOB-UHFFFAOYSA-N 1 2 320.349 0.442 10 0 DCAELO Cn1cc(CCNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)cn1 ZINC000552709989 288279702 /nfs/dbraw/zinc/27/97/02/288279702.db2.gz GCHMIPAMPZJLIK-UHFFFAOYSA-N 1 2 312.333 0.365 10 0 DCAELO O=C(NC[C@H]1CCCOC1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000553057180 288285458 /nfs/dbraw/zinc/28/54/58/288285458.db2.gz PYSAAHJZVJMSCA-LLVKDONJSA-N 1 2 302.334 0.816 10 0 DCAELO C[C@@H](CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)C[C@H](C)O ZINC000553082626 288286117 /nfs/dbraw/zinc/28/61/17/288286117.db2.gz JOLAPDUUCPENMZ-MNOVXSKESA-N 1 2 304.350 0.796 10 0 DCAELO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000121030542 289331951 /nfs/dbraw/zinc/33/19/51/289331951.db2.gz SQLBGRWZNCWUQO-IJLUTSLNSA-N 1 2 312.414 0.014 10 0 DCAELO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000121030542 289331955 /nfs/dbraw/zinc/33/19/55/289331955.db2.gz SQLBGRWZNCWUQO-IJLUTSLNSA-N 1 2 312.414 0.014 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(S(=O)(=O)N3CCCCC3)C[C@H]21 ZINC000328864156 290114702 /nfs/dbraw/zinc/11/47/02/290114702.db2.gz GBHRKHLZUHMSFU-OLZOCXBDSA-N 1 2 303.428 0.122 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(S(=O)(=O)N3CCCCC3)C[C@H]21 ZINC000328864156 290114703 /nfs/dbraw/zinc/11/47/03/290114703.db2.gz GBHRKHLZUHMSFU-OLZOCXBDSA-N 1 2 303.428 0.122 10 0 DCAELO Cn1c2cccc(C(=O)N3C[C@H]4OCC[N@H+](C)[C@@H]4C3)c2oc1=O ZINC000128934748 294184019 /nfs/dbraw/zinc/18/40/19/294184019.db2.gz BYFRBQCQWHVMBN-CHWSQXEVSA-N 1 2 317.345 0.287 10 0 DCAELO Cn1c2cccc(C(=O)N3C[C@H]4OCC[N@@H+](C)[C@@H]4C3)c2oc1=O ZINC000128934748 294184020 /nfs/dbraw/zinc/18/40/20/294184020.db2.gz BYFRBQCQWHVMBN-CHWSQXEVSA-N 1 2 317.345 0.287 10 0 DCAELO C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CCCc2nn(C)cc21 ZINC000583643004 336011079 /nfs/dbraw/zinc/01/10/79/336011079.db2.gz DUERDIZWBYOAHY-GXTWGEPZSA-N 1 2 321.425 0.817 10 0 DCAELO C[C@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CCCc2nn(C)cc21 ZINC000583643004 336011080 /nfs/dbraw/zinc/01/10/80/336011080.db2.gz DUERDIZWBYOAHY-GXTWGEPZSA-N 1 2 321.425 0.817 10 0 DCAELO C[C@@H]1OCCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)[C@H]1C ZINC000582539831 337106739 /nfs/dbraw/zinc/10/67/39/337106739.db2.gz FIYXXMAUYHCASU-QWRGUYRKSA-N 1 2 302.334 0.909 10 0 DCAELO COC(=O)Cn1ncc2c1nc[nH+]c2NCC1(OC)CCC1 ZINC000302054797 533831716 /nfs/dbraw/zinc/83/17/16/533831716.db2.gz YYVYTNNKTPPXRI-UHFFFAOYSA-N 1 2 305.338 0.980 10 0 DCAELO Cc1nc(CN(C)c2cc(N3CCC[C@@H]3CO)nc[nH+]2)no1 ZINC000302149202 534344757 /nfs/dbraw/zinc/34/47/57/534344757.db2.gz HHDUJOMUWJAFMH-LLVKDONJSA-N 1 2 304.354 0.766 10 0 DCAELO Cc1nc(CN(C)c2cc(N3CCC[C@@H]3CO)[nH+]cn2)no1 ZINC000302149202 534344762 /nfs/dbraw/zinc/34/47/62/534344762.db2.gz HHDUJOMUWJAFMH-LLVKDONJSA-N 1 2 304.354 0.766 10 0 DCAELO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+](C)[C@H](C)c2cnn(C)c2)C1 ZINC000246224290 519688099 /nfs/dbraw/zinc/68/80/99/519688099.db2.gz ZIKBRTLHEXVGFL-IUODEOHRSA-N 1 2 321.425 0.540 10 0 DCAELO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+](C)[C@H](C)c2cnn(C)c2)C1 ZINC000246224290 519688103 /nfs/dbraw/zinc/68/81/03/519688103.db2.gz ZIKBRTLHEXVGFL-IUODEOHRSA-N 1 2 321.425 0.540 10 0 DCAELO C[C@@H]1C[N@@H+]([C@H](C(=O)N(C)C)c2ccccc2)CCN1CCO ZINC000187661778 534477525 /nfs/dbraw/zinc/47/75/25/534477525.db2.gz VBQITSUSLPCIAM-ZBFHGGJFSA-N 1 2 305.422 0.814 10 0 DCAELO C[C@@H]1C[N@H+]([C@H](C(=O)N(C)C)c2ccccc2)CCN1CCO ZINC000187661778 534477531 /nfs/dbraw/zinc/47/75/31/534477531.db2.gz VBQITSUSLPCIAM-ZBFHGGJFSA-N 1 2 305.422 0.814 10 0 DCAELO COC[C@H](O)CN1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000126683507 522789153 /nfs/dbraw/zinc/78/91/53/522789153.db2.gz LIUBBBGVZKRFPI-CVEARBPZSA-N 1 2 324.421 0.051 10 0 DCAELO CO[C@@H]1CC[C@@H]2OCC[N@H+](C[C@H](C)CS(C)(=O)=O)[C@H]2C1 ZINC000158265994 523709204 /nfs/dbraw/zinc/70/92/04/523709204.db2.gz RVXFVDXGXCJYTD-CRWXNKLISA-N 1 2 305.440 0.935 10 0 DCAELO CO[C@@H]1CC[C@@H]2OCC[N@@H+](C[C@H](C)CS(C)(=O)=O)[C@H]2C1 ZINC000158265994 523709214 /nfs/dbraw/zinc/70/92/14/523709214.db2.gz RVXFVDXGXCJYTD-CRWXNKLISA-N 1 2 305.440 0.935 10 0 DCAELO Cc1cccc(S(=O)(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1F ZINC000249462419 524797365 /nfs/dbraw/zinc/79/73/65/524797365.db2.gz PGAQNJFPCYIXDJ-LBPRGKRZSA-N 1 2 316.398 0.821 10 0 DCAELO Cc1cccc(S(=O)(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1F ZINC000249462419 524797371 /nfs/dbraw/zinc/79/73/71/524797371.db2.gz PGAQNJFPCYIXDJ-LBPRGKRZSA-N 1 2 316.398 0.821 10 0 DCAELO C[C@@H]1CN(C(=O)c2cc(C(N)=O)cs2)C[C@@H]1[NH+]1CCOCC1 ZINC000266264484 524851552 /nfs/dbraw/zinc/85/15/52/524851552.db2.gz YNGDOGPULLTEMW-PWSUYJOCSA-N 1 2 323.418 0.640 10 0 DCAELO C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](c2nccs2)C1)C(=O)N(C)C ZINC000249870080 524954162 /nfs/dbraw/zinc/95/41/62/524954162.db2.gz JIMRKLAOLGKPAS-NWDGAFQWSA-N 1 2 324.450 0.915 10 0 DCAELO C[C@H](NC(=O)C[N@H+]1CCC[C@@H](c2nccs2)C1)C(=O)N(C)C ZINC000249870080 524954173 /nfs/dbraw/zinc/95/41/73/524954173.db2.gz JIMRKLAOLGKPAS-NWDGAFQWSA-N 1 2 324.450 0.915 10 0 DCAELO C[S@](=O)CCC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000154840614 525381855 /nfs/dbraw/zinc/38/18/55/525381855.db2.gz ZCCDQWINAXMWSI-ZUOKHONESA-N 1 2 320.480 0.079 10 0 DCAELO Cc1cc(S(=O)(=O)N2CC[N@H+](CCO)[C@@H](C)C2)ccc1F ZINC000249489154 525398257 /nfs/dbraw/zinc/39/82/57/525398257.db2.gz XVCSSDGODUQZAB-LBPRGKRZSA-N 1 2 316.398 0.821 10 0 DCAELO Cc1cc(S(=O)(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)ccc1F ZINC000249489154 525398264 /nfs/dbraw/zinc/39/82/64/525398264.db2.gz XVCSSDGODUQZAB-LBPRGKRZSA-N 1 2 316.398 0.821 10 0 DCAELO O=C(NCC[NH+]1CCOCC1)c1cccc2c1NC(=O)CO2 ZINC000074731045 545670738 /nfs/dbraw/zinc/67/07/38/545670738.db2.gz NFMMAFGYXGEDBV-UHFFFAOYSA-N 1 2 305.334 0.080 10 0 DCAELO Cn1cc(-c2ncc(C(=O)NC[C@@H]3C[N@H+](C)CCO3)s2)cn1 ZINC000112195851 545735013 /nfs/dbraw/zinc/73/50/13/545735013.db2.gz AKGCKHFKZNYMQO-LLVKDONJSA-N 1 2 321.406 0.604 10 0 DCAELO Cn1cc(-c2ncc(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)s2)cn1 ZINC000112195851 545735016 /nfs/dbraw/zinc/73/50/16/545735016.db2.gz AKGCKHFKZNYMQO-LLVKDONJSA-N 1 2 321.406 0.604 10 0 DCAELO CC(C)C[C@H](C)OCCC(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000133112193 545796998 /nfs/dbraw/zinc/79/69/98/545796998.db2.gz AQCCOMMBGJVKDS-GJZGRUSLSA-N 1 2 316.442 0.637 10 0 DCAELO Cc1c(C(=O)N2CC[NH+](C3CC3)CC2)cccc1S(N)(=O)=O ZINC000133360220 545798684 /nfs/dbraw/zinc/79/86/84/545798684.db2.gz JYTFVLSBUCXLEN-UHFFFAOYSA-N 1 2 323.418 0.563 10 0 DCAELO CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)[C@H]1COCC[NH2+]1 ZINC000155452938 545845310 /nfs/dbraw/zinc/84/53/10/545845310.db2.gz OGHVOAHMPNRFHA-GFCCVEGCSA-N 1 2 313.304 0.350 10 0 DCAELO CN(C(=O)NC[C@@H]1C[N@H+](C)CCO1)[C@H]1CCCc2c1cnn2C ZINC000158465208 545855546 /nfs/dbraw/zinc/85/55/46/545855546.db2.gz ULZUABBPGIJWTD-OCCSQVGLSA-N 1 2 321.425 0.770 10 0 DCAELO CN(C(=O)NC[C@@H]1C[N@@H+](C)CCO1)[C@H]1CCCc2c1cnn2C ZINC000158465208 545855551 /nfs/dbraw/zinc/85/55/51/545855551.db2.gz ULZUABBPGIJWTD-OCCSQVGLSA-N 1 2 321.425 0.770 10 0 DCAELO C[C@@H]1CC[C@H](CCC(=O)NC[C@@H](O)C[NH+]2CCOCC2)O1 ZINC000245631561 545962290 /nfs/dbraw/zinc/96/22/90/545962290.db2.gz QEGAMNILBPMPBQ-MGPQQGTHSA-N 1 2 300.399 0.143 10 0 DCAELO C[N@@H+]1CCO[C@H]2CN(C(=O)NCc3ccc(Cl)cn3)C[C@@H]21 ZINC000332810495 546061503 /nfs/dbraw/zinc/06/15/03/546061503.db2.gz ONLDQRASHQSJSY-STQMWFEESA-N 1 2 310.785 0.959 10 0 DCAELO C[N@H+]1CCO[C@H]2CN(C(=O)NCc3ccc(Cl)cn3)C[C@@H]21 ZINC000332810495 546061504 /nfs/dbraw/zinc/06/15/04/546061504.db2.gz ONLDQRASHQSJSY-STQMWFEESA-N 1 2 310.785 0.959 10 0 DCAELO C[C@@H](CNC(=O)c1c[nH]nc1[C@@H]1CCOC1)[NH+]1CCOCC1 ZINC000332987236 546068607 /nfs/dbraw/zinc/06/86/07/546068607.db2.gz BAWZBXLYLKTXCZ-NWDGAFQWSA-N 1 2 308.382 0.364 10 0 DCAELO O[C@@H](CNc1ncnc2c1CCCCC2)C[NH+]1CCOCC1 ZINC000333489668 546083427 /nfs/dbraw/zinc/08/34/27/546083427.db2.gz URXDRVQXDUEFBV-ZDUSSCGKSA-N 1 2 306.410 0.851 10 0 DCAELO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NCCCN1CCCC1=O)C2 ZINC000220587889 658271396 /nfs/dbraw/zinc/27/13/96/658271396.db2.gz YJSZZCKSQMDPBW-LBPRGKRZSA-N 1 2 304.394 0.952 10 0 DCAELO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NCCCN1CCCC1=O)CC2 ZINC000220587889 658271398 /nfs/dbraw/zinc/27/13/98/658271398.db2.gz YJSZZCKSQMDPBW-LBPRGKRZSA-N 1 2 304.394 0.952 10 0 DCAELO COC(=O)c1cn(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)nn1 ZINC000154910926 665199175 /nfs/dbraw/zinc/19/91/75/665199175.db2.gz VRFFHIHOVSLXIU-NSHDSACASA-N 1 2 305.342 0.026 10 0 DCAELO COC(=O)c1cn(C[N@H+]2CCC[C@H](Cn3ccnn3)C2)nn1 ZINC000154910926 665199176 /nfs/dbraw/zinc/19/91/76/665199176.db2.gz VRFFHIHOVSLXIU-NSHDSACASA-N 1 2 305.342 0.026 10 0 DCAELO CCN1C(=O)CN(C[N@@H+]2CCC[C@H](Cc3noc(C)n3)C2)C1=O ZINC000122211108 667583772 /nfs/dbraw/zinc/58/37/72/667583772.db2.gz ZGQJIFYEMVIIHM-GFCCVEGCSA-N 1 2 321.381 0.874 10 0 DCAELO CCN1C(=O)CN(C[N@H+]2CCC[C@H](Cc3noc(C)n3)C2)C1=O ZINC000122211108 667583774 /nfs/dbraw/zinc/58/37/74/667583774.db2.gz ZGQJIFYEMVIIHM-GFCCVEGCSA-N 1 2 321.381 0.874 10 0 DCAELO C[N@@H+]1CCC[C@H]1CNC(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000139189687 667812237 /nfs/dbraw/zinc/81/22/37/667812237.db2.gz SXDKQXRHNIPBFF-WDEREUQCSA-N 1 2 306.453 0.117 10 0 DCAELO C[N@H+]1CCC[C@H]1CNC(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000139189687 667812240 /nfs/dbraw/zinc/81/22/40/667812240.db2.gz SXDKQXRHNIPBFF-WDEREUQCSA-N 1 2 306.453 0.117 10 0 DCAELO Cn1cc(C[N@@H+]2C[C@H](O)C[C@@]2(C)CO)c(Br)n1 ZINC000714096330 670178102 /nfs/dbraw/zinc/17/81/02/670178102.db2.gz LBWISHYDSIUGBM-KOLCDFICSA-N 1 2 304.188 0.500 10 0 DCAELO Cn1cc(C[N@H+]2C[C@H](O)C[C@@]2(C)CO)c(Br)n1 ZINC000714096330 670178104 /nfs/dbraw/zinc/17/81/04/670178104.db2.gz LBWISHYDSIUGBM-KOLCDFICSA-N 1 2 304.188 0.500 10 0 DCAELO CC[C@H]1CN(S(=O)(=O)N(C)C(C)C)CC[N@@H+]1CCOC ZINC000117371843 671198119 /nfs/dbraw/zinc/19/81/19/671198119.db2.gz YCWDSYOSMBQLJB-ZDUSSCGKSA-N 1 2 307.460 0.614 10 0 DCAELO CC[C@H]1CN(S(=O)(=O)N(C)C(C)C)CC[N@H+]1CCOC ZINC000117371843 671198121 /nfs/dbraw/zinc/19/81/21/671198121.db2.gz YCWDSYOSMBQLJB-ZDUSSCGKSA-N 1 2 307.460 0.614 10 0 DCAELO CCCC(=O)NC[C@H]1CCC[N@H+](Cn2cc(C(=O)OC)nn2)C1 ZINC000101905192 671787221 /nfs/dbraw/zinc/78/72/21/671787221.db2.gz ATDFXIYJJPPOQL-GFCCVEGCSA-N 1 2 323.397 0.651 10 0 DCAELO CCCC(=O)NC[C@H]1CCC[N@@H+](Cn2cc(C(=O)OC)nn2)C1 ZINC000101905192 671787224 /nfs/dbraw/zinc/78/72/24/671787224.db2.gz ATDFXIYJJPPOQL-GFCCVEGCSA-N 1 2 323.397 0.651 10 0 DCAELO COC(=O)[C@@H]1CCC[N@H+](CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 ZINC000246935114 685168252 /nfs/dbraw/zinc/16/82/52/685168252.db2.gz DSTYLSCSFDVULH-AGIUHOORSA-N 1 2 306.362 0.780 10 0 DCAELO COC(=O)[C@@H]1CCC[N@@H+](CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 ZINC000246935114 685168258 /nfs/dbraw/zinc/16/82/58/685168258.db2.gz DSTYLSCSFDVULH-AGIUHOORSA-N 1 2 306.362 0.780 10 0 DCAELO CNC(=O)c1ccc(N(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)nn1 ZINC000278745416 214370702 /nfs/dbraw/zinc/37/07/02/214370702.db2.gz MFTHZLIHWYNQCY-ZDUSSCGKSA-N 1 2 319.409 0.383 10 0 DCAELO CNC(=O)c1ccc(N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)nn1 ZINC000278745416 214370704 /nfs/dbraw/zinc/37/07/04/214370704.db2.gz MFTHZLIHWYNQCY-ZDUSSCGKSA-N 1 2 319.409 0.383 10 0 DCAELO CN1CCO[C@@H](CN(CC2CC2)C(=O)NCCn2cc[nH+]c2)C1 ZINC000276107093 529782570 /nfs/dbraw/zinc/78/25/70/529782570.db2.gz WVEBDTWWTVENMD-OAHLLOKOSA-N 1 2 321.425 0.635 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3c[nH]nc3-c3ccncc3)C[C@@H]21 ZINC000299751690 529786213 /nfs/dbraw/zinc/78/62/13/529786213.db2.gz RHZWOZFCQPGGOP-UONOGXRCSA-N 1 2 313.361 0.627 10 0 DCAELO C[N@H+]1CCO[C@@H]2CN(C(=O)c3c[nH]nc3-c3ccncc3)C[C@@H]21 ZINC000299751690 529786215 /nfs/dbraw/zinc/78/62/15/529786215.db2.gz RHZWOZFCQPGGOP-UONOGXRCSA-N 1 2 313.361 0.627 10 0 DCAELO CNS(=O)(=O)CC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000083615046 192375075 /nfs/dbraw/zinc/37/50/75/192375075.db2.gz AFAASTOICBHYHM-NSHDSACASA-N 1 2 322.390 0.599 10 0 DCAELO Cc1nn(C)c(C)c1CC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000253394506 186304378 /nfs/dbraw/zinc/30/43/78/186304378.db2.gz JMKRRZVGNIKMSM-CABCVRRESA-N 1 2 306.410 0.511 10 0 DCAELO Cc1nn(C)c(C)c1CC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000253394506 186304380 /nfs/dbraw/zinc/30/43/80/186304380.db2.gz JMKRRZVGNIKMSM-CABCVRRESA-N 1 2 306.410 0.511 10 0 DCAELO O=C(N[C@@H]1C[C@@H]2OCCC[C@H]12)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000251860155 295814909 /nfs/dbraw/zinc/81/49/09/295814909.db2.gz ODOAOZRABYXHPR-TUVASFSCSA-N 1 2 309.410 0.670 10 0 DCAELO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cn(C)nc1[C@@H]1CCOC1 ZINC000275505207 295929949 /nfs/dbraw/zinc/92/99/49/295929949.db2.gz KQUZTJCPVXOSQF-QWHCGFSZSA-N 1 2 322.409 0.375 10 0 DCAELO C[C@@H]1CN(C(=O)C(=O)Nc2cccnc2)C[C@H]1[NH+]1CCOCC1 ZINC000180255404 199137340 /nfs/dbraw/zinc/13/73/40/199137340.db2.gz WOIHLYWNEMMRII-TZMCWYRMSA-N 1 2 318.377 0.199 10 0 DCAELO CC(=O)N1CCN(C(=O)C[N@@H+](C)[C@@H](C)c2cnn(C)c2)CC1 ZINC000180380950 199152149 /nfs/dbraw/zinc/15/21/49/199152149.db2.gz OYXZYDHMOPQIHF-LBPRGKRZSA-N 1 2 307.398 0.104 10 0 DCAELO CC(=O)N1CCN(C(=O)C[N@H+](C)[C@@H](C)c2cnn(C)c2)CC1 ZINC000180380950 199152151 /nfs/dbraw/zinc/15/21/51/199152151.db2.gz OYXZYDHMOPQIHF-LBPRGKRZSA-N 1 2 307.398 0.104 10 0 DCAELO CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+](C)[C@@H](C)c2cnn(C)c2)C1 ZINC000180401244 199154444 /nfs/dbraw/zinc/15/44/44/199154444.db2.gz ZIKBRTLHEXVGFL-WFASDCNBSA-N 1 2 321.425 0.540 10 0 DCAELO CC(=O)N[C@H]1CCCN(C(=O)C[N@H+](C)[C@@H](C)c2cnn(C)c2)C1 ZINC000180401244 199154446 /nfs/dbraw/zinc/15/44/46/199154446.db2.gz ZIKBRTLHEXVGFL-WFASDCNBSA-N 1 2 321.425 0.540 10 0 DCAELO Cc1cc(F)ccc1S(=O)(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000188285218 200222209 /nfs/dbraw/zinc/22/22/09/200222209.db2.gz FFYOMGQYLUEIMN-GFCCVEGCSA-N 1 2 316.398 0.821 10 0 DCAELO C[C@H](NC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1)[C@@H]1CCCO1 ZINC000275456847 212344594 /nfs/dbraw/zinc/34/45/94/212344594.db2.gz RNNIUCKAQQRHCJ-MJBXVCDLSA-N 1 2 321.425 0.986 10 0 DCAELO COC[C@H](NC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1)C1CC1 ZINC000275406353 212314831 /nfs/dbraw/zinc/31/48/31/212314831.db2.gz BJEQFHVZCWDYHR-UONOGXRCSA-N 1 2 321.425 0.843 10 0 DCAELO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1C[C@H](O)COC[C@@H]1CCCO1 ZINC000567025946 291333481 /nfs/dbraw/zinc/33/34/81/291333481.db2.gz MABUTNBJHJSBRD-KLKYFPMNSA-N 1 2 305.440 0.384 10 0 DCAELO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1C[C@H](O)COC[C@@H]1CCCO1 ZINC000567025946 291333483 /nfs/dbraw/zinc/33/34/83/291333483.db2.gz MABUTNBJHJSBRD-KLKYFPMNSA-N 1 2 305.440 0.384 10 0 DCAELO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1C[C@@H](O)COC[C@H]1CCCO1 ZINC000567025948 291333608 /nfs/dbraw/zinc/33/36/08/291333608.db2.gz MABUTNBJHJSBRD-KYRHDWTISA-N 1 2 305.440 0.384 10 0 DCAELO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1C[C@@H](O)COC[C@H]1CCCO1 ZINC000567025948 291333610 /nfs/dbraw/zinc/33/36/10/291333610.db2.gz MABUTNBJHJSBRD-KYRHDWTISA-N 1 2 305.440 0.384 10 0 DCAELO Cn1cc[nH+]c1[C@@H]1CN(C(=O)NC[C@@H]2CCCCO2)CCN1C ZINC000275356030 212289555 /nfs/dbraw/zinc/28/95/55/212289555.db2.gz ISJJYFKAWNQCCD-KBPBESRZSA-N 1 2 321.425 0.987 10 0 DCAELO CNC(=O)C(C)(C)CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000567299113 291347854 /nfs/dbraw/zinc/34/78/54/291347854.db2.gz CRCCPNDQPDLRGS-UHFFFAOYSA-N 1 2 317.349 0.161 10 0 DCAELO Cc1nccc(N2CC[NH+](CCNC(=O)NC(C)C)CC2)n1 ZINC000574616472 291705376 /nfs/dbraw/zinc/70/53/76/291705376.db2.gz SBZYQOXRUDLFQS-UHFFFAOYSA-N 1 2 306.414 0.615 10 0 DCAELO CCS(=O)(=O)CCNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105034960 194065580 /nfs/dbraw/zinc/06/55/80/194065580.db2.gz KAHTXOZEYXGAGC-GFCCVEGCSA-N 1 2 303.428 0.301 10 0 DCAELO CCS(=O)(=O)CCNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000105034960 194065582 /nfs/dbraw/zinc/06/55/82/194065582.db2.gz KAHTXOZEYXGAGC-GFCCVEGCSA-N 1 2 303.428 0.301 10 0 DCAELO C[C@H](Cc1ccc(O)cc1)NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000105181400 194082060 /nfs/dbraw/zinc/08/20/60/194082060.db2.gz BVSRQUTWLCRAPN-IUODEOHRSA-N 1 2 307.394 0.953 10 0 DCAELO C[C@H](Cc1ccc(O)cc1)NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000105181400 194082063 /nfs/dbraw/zinc/08/20/63/194082063.db2.gz BVSRQUTWLCRAPN-IUODEOHRSA-N 1 2 307.394 0.953 10 0 DCAELO CN(CCn1cccn1)c1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000110599316 194341075 /nfs/dbraw/zinc/34/10/75/194341075.db2.gz AOQWAFYLZXFNLZ-CYBMUJFWSA-N 1 2 302.382 0.771 10 0 DCAELO CN(CCn1cccn1)c1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000110599316 194341077 /nfs/dbraw/zinc/34/10/77/194341077.db2.gz AOQWAFYLZXFNLZ-CYBMUJFWSA-N 1 2 302.382 0.771 10 0 DCAELO CCCN1C[C@@H](C(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)CC1=O ZINC000333996369 252781960 /nfs/dbraw/zinc/78/19/60/252781960.db2.gz NZRANXSTMNKORI-QLFBSQMISA-N 1 2 323.437 0.567 10 0 DCAELO COCCn1ccc(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1 ZINC000189948231 285193382 /nfs/dbraw/zinc/19/33/82/285193382.db2.gz ZCOFNGNSMQENDU-UKRRQHHQSA-N 1 2 322.409 0.322 10 0 DCAELO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000283828750 131027435 /nfs/dbraw/zinc/02/74/35/131027435.db2.gz FARPWTNWZKJYRT-MCIONIFRSA-N 1 2 307.398 0.386 10 0 DCAELO COc1cc(CNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)ccn1 ZINC000283954514 131036409 /nfs/dbraw/zinc/03/64/09/131036409.db2.gz KHFWWYPAXKAWDT-ZIAGYGMSSA-N 1 2 320.393 0.705 10 0 DCAELO COc1cc(CNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)ccn1 ZINC000283954514 131036411 /nfs/dbraw/zinc/03/64/11/131036411.db2.gz KHFWWYPAXKAWDT-ZIAGYGMSSA-N 1 2 320.393 0.705 10 0 DCAELO C[C@H](NC(=O)c1ccco1)C(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000284167695 131055396 /nfs/dbraw/zinc/05/53/96/131055396.db2.gz RJCVDRUYYSTJCF-YNEHKIRRSA-N 1 2 321.377 0.329 10 0 DCAELO C[C@H](NC(=O)c1ccco1)C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000284167695 131055397 /nfs/dbraw/zinc/05/53/97/131055397.db2.gz RJCVDRUYYSTJCF-YNEHKIRRSA-N 1 2 321.377 0.329 10 0 DCAELO NC(=O)[C@@]1(O)CCCN(c2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000284634903 131098850 /nfs/dbraw/zinc/09/88/50/131098850.db2.gz NNCCFPTZCHQTPP-OAHLLOKOSA-N 1 2 305.382 0.284 10 0 DCAELO NC(=O)[C@@]1(O)CCCN(c2cc(N3CCCCC3)nc[nH+]2)C1 ZINC000284634903 131098852 /nfs/dbraw/zinc/09/88/52/131098852.db2.gz NNCCFPTZCHQTPP-OAHLLOKOSA-N 1 2 305.382 0.284 10 0 DCAELO Cc1cc(N)nc(SCC(=O)N2CCC[C@H](C(N)=O)C2)[nH+]1 ZINC000029914093 395700425 /nfs/dbraw/zinc/70/04/25/395700425.db2.gz OJFCUHXAKNFHSH-VIFPVBQESA-N 1 2 309.395 0.183 10 0 DCAELO CCn1ccnc(N2CCN(Cc3[nH+]ccn3C)CC2)c1=O ZINC000091010618 395720422 /nfs/dbraw/zinc/72/04/22/395720422.db2.gz PVFPUIRZLUUEKP-UHFFFAOYSA-N 1 2 302.382 0.319 10 0 DCAELO COc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000027565968 395695226 /nfs/dbraw/zinc/69/52/26/395695226.db2.gz CQCFMKQZPGUFBG-OAHLLOKOSA-N 1 2 319.405 0.864 10 0 DCAELO COc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000027565968 395695227 /nfs/dbraw/zinc/69/52/27/395695227.db2.gz CQCFMKQZPGUFBG-OAHLLOKOSA-N 1 2 319.405 0.864 10 0 DCAELO CCc1nc(CC(=O)NC[C@@H](O)C[NH+]2CCOCC2)cs1 ZINC000097374805 395757334 /nfs/dbraw/zinc/75/73/34/395757334.db2.gz YXNJZIDWQOKIPY-GFCCVEGCSA-N 1 2 313.423 0.057 10 0 DCAELO O=C([C@@H]1CCCCC(=O)N1)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000407967756 304315270 /nfs/dbraw/zinc/31/52/70/304315270.db2.gz RGOKWPHVXDZJNU-UONOGXRCSA-N 1 2 302.378 0.613 10 0 DCAELO COc1cccc([C@H]2C[C@H]2C(=O)N2CC[NH+](CCO)CC2)c1 ZINC000106929285 395784572 /nfs/dbraw/zinc/78/45/72/395784572.db2.gz AMPCCNROTIMMLL-HZPDHXFCSA-N 1 2 304.390 0.935 10 0 DCAELO CC(=O)N1CCC[C@H]1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000045897725 395768376 /nfs/dbraw/zinc/76/83/76/395768376.db2.gz FAXWIWCKGLHLGC-AWEZNQCLSA-N 1 2 313.361 0.894 10 0 DCAELO C[C@H](NC(=O)Nc1ccccc1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000194637383 395803275 /nfs/dbraw/zinc/80/32/75/395803275.db2.gz HGZQNWBGESJDMD-GXTWGEPZSA-N 1 2 320.393 0.643 10 0 DCAELO C[C@H](NC(=O)Nc1ccccc1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000194637383 395803277 /nfs/dbraw/zinc/80/32/77/395803277.db2.gz HGZQNWBGESJDMD-GXTWGEPZSA-N 1 2 320.393 0.643 10 0 DCAELO CCOCC[NH+]1CCN(S(=O)(=O)N2CCC[C@@H](C)C2)CC1 ZINC000111345707 395807326 /nfs/dbraw/zinc/80/73/26/395807326.db2.gz JUAZXQVOXGVZRY-CQSZACIVSA-N 1 2 319.471 0.617 10 0 DCAELO COc1ccc(CNC(=O)C[N@@H+]2CCCN(C(N)=O)CC2)cc1 ZINC000111688605 395812175 /nfs/dbraw/zinc/81/21/75/395812175.db2.gz FEWKBDDFXOOLST-UHFFFAOYSA-N 1 2 320.393 0.398 10 0 DCAELO COc1ccc(CNC(=O)C[N@H+]2CCCN(C(N)=O)CC2)cc1 ZINC000111688605 395812177 /nfs/dbraw/zinc/81/21/77/395812177.db2.gz FEWKBDDFXOOLST-UHFFFAOYSA-N 1 2 320.393 0.398 10 0 DCAELO C[C@@H](CNC(=O)COc1cccc(C=O)c1)[NH+]1CCOCC1 ZINC000113147280 395828015 /nfs/dbraw/zinc/82/80/15/395828015.db2.gz PTCDJNWWVTWBCZ-ZDUSSCGKSA-N 1 2 306.362 0.715 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)NCCC(=O)Nc2ccccc2)C1 ZINC000113389320 395830057 /nfs/dbraw/zinc/83/00/57/395830057.db2.gz SZJRCNGZJGFYBN-CQSZACIVSA-N 1 2 320.393 0.645 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)NCCC(=O)Nc2ccccc2)C1 ZINC000113389320 395830060 /nfs/dbraw/zinc/83/00/60/395830060.db2.gz SZJRCNGZJGFYBN-CQSZACIVSA-N 1 2 320.393 0.645 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000118115214 395859672 /nfs/dbraw/zinc/85/96/72/395859672.db2.gz NFYQETMUSPLNHG-HNNXBMFYSA-N 1 2 317.389 0.561 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000118115214 395859675 /nfs/dbraw/zinc/85/96/75/395859675.db2.gz NFYQETMUSPLNHG-HNNXBMFYSA-N 1 2 317.389 0.561 10 0 DCAELO Cc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCO2)c1C ZINC000118115543 395860273 /nfs/dbraw/zinc/86/02/73/395860273.db2.gz OUWLIKVRWZNCFR-CYBMUJFWSA-N 1 2 305.378 0.689 10 0 DCAELO Cc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1C ZINC000118115543 395860277 /nfs/dbraw/zinc/86/02/77/395860277.db2.gz OUWLIKVRWZNCFR-CYBMUJFWSA-N 1 2 305.378 0.689 10 0 DCAELO CN(C)c1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000118115548 395860317 /nfs/dbraw/zinc/86/03/17/395860317.db2.gz BJJNBBVRUXRMPF-CQSZACIVSA-N 1 2 320.393 0.138 10 0 DCAELO CN(C)c1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000118115548 395860320 /nfs/dbraw/zinc/86/03/20/395860320.db2.gz BJJNBBVRUXRMPF-CQSZACIVSA-N 1 2 320.393 0.138 10 0 DCAELO Cc1cccc(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCO2)c1C ZINC000118115546 395860740 /nfs/dbraw/zinc/86/07/40/395860740.db2.gz OUWLIKVRWZNCFR-ZDUSSCGKSA-N 1 2 305.378 0.689 10 0 DCAELO Cc1cccc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCO2)c1C ZINC000118115546 395860743 /nfs/dbraw/zinc/86/07/43/395860743.db2.gz OUWLIKVRWZNCFR-ZDUSSCGKSA-N 1 2 305.378 0.689 10 0 DCAELO CS(=O)(=O)N[C@@H]1CC[N@H+](C[C@H](O)c2c(F)cccc2F)C1 ZINC000116890316 395848861 /nfs/dbraw/zinc/84/88/61/395848861.db2.gz KNHOECWSGOSFKO-SKDRFNHKSA-N 1 2 320.361 0.622 10 0 DCAELO CS(=O)(=O)N[C@@H]1CC[N@@H+](C[C@H](O)c2c(F)cccc2F)C1 ZINC000116890316 395848864 /nfs/dbraw/zinc/84/88/64/395848864.db2.gz KNHOECWSGOSFKO-SKDRFNHKSA-N 1 2 320.361 0.622 10 0 DCAELO Cn1nncc1C(=O)NC[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000225477181 395860876 /nfs/dbraw/zinc/86/08/76/395860876.db2.gz KVPXMVGGXGFJPA-GJZGRUSLSA-N 1 2 315.377 0.617 10 0 DCAELO Cn1nncc1C(=O)NC[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000225477181 395860880 /nfs/dbraw/zinc/86/08/80/395860880.db2.gz KVPXMVGGXGFJPA-GJZGRUSLSA-N 1 2 315.377 0.617 10 0 DCAELO COCC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(F)cc2)C[C@H]1C ZINC000117522783 395852956 /nfs/dbraw/zinc/85/29/56/395852956.db2.gz ZMHVPKLKQVFNHT-GFCCVEGCSA-N 1 2 323.368 0.943 10 0 DCAELO COCC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(F)cc2)C[C@H]1C ZINC000117522783 395852957 /nfs/dbraw/zinc/85/29/57/395852957.db2.gz ZMHVPKLKQVFNHT-GFCCVEGCSA-N 1 2 323.368 0.943 10 0 DCAELO CS(=O)(=O)NCC[N@@H+]1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000225515549 395861361 /nfs/dbraw/zinc/86/13/61/395861361.db2.gz MNBUYJAAKXPWJJ-OLZOCXBDSA-N 1 2 302.371 0.483 10 0 DCAELO CS(=O)(=O)NCC[N@H+]1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000225515549 395861363 /nfs/dbraw/zinc/86/13/63/395861363.db2.gz MNBUYJAAKXPWJJ-OLZOCXBDSA-N 1 2 302.371 0.483 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc(Cl)nc2)C1 ZINC000126401951 395912536 /nfs/dbraw/zinc/91/25/36/395912536.db2.gz SRUQBLIMOYXRRB-SNVBAGLBSA-N 1 2 312.757 0.120 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc(Cl)nc2)C1 ZINC000126401951 395912537 /nfs/dbraw/zinc/91/25/37/395912537.db2.gz SRUQBLIMOYXRRB-SNVBAGLBSA-N 1 2 312.757 0.120 10 0 DCAELO O=C(CCOCc1ccccc1)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000119574346 395872510 /nfs/dbraw/zinc/87/25/10/395872510.db2.gz HSVDXPNJEKNIIX-MRXNPFEDSA-N 1 2 322.405 0.403 10 0 DCAELO CC(C)C(=O)NCCN(C)c1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000245686901 395933896 /nfs/dbraw/zinc/93/38/96/395933896.db2.gz PSRAHBKMDDGOCM-ZDUSSCGKSA-N 1 2 321.425 0.646 10 0 DCAELO CC(C)C(=O)NCCN(C)c1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000245686901 395933899 /nfs/dbraw/zinc/93/38/99/395933899.db2.gz PSRAHBKMDDGOCM-ZDUSSCGKSA-N 1 2 321.425 0.646 10 0 DCAELO CC[C@H](C)NC(=O)CCNC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000056863667 395934488 /nfs/dbraw/zinc/93/44/88/395934488.db2.gz BTJZYNVAAXEKKZ-QWHCGFSZSA-N 1 2 314.430 0.311 10 0 DCAELO C[C@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000245830761 395936688 /nfs/dbraw/zinc/93/66/88/395936688.db2.gz SEJRILINPRIFCR-GHMZBOCLSA-N 1 2 317.401 0.509 10 0 DCAELO C[C@H](c1nc(N)nc(N(C)C)n1)[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000245830761 395936690 /nfs/dbraw/zinc/93/66/90/395936690.db2.gz SEJRILINPRIFCR-GHMZBOCLSA-N 1 2 317.401 0.509 10 0 DCAELO CCn1cc(C[N@@H+]2CCCN(C(=O)C3CC(=O)C3)CC2)cn1 ZINC000136956403 395949570 /nfs/dbraw/zinc/94/95/70/395949570.db2.gz HAOPGACNPRDCKG-UHFFFAOYSA-N 1 2 304.394 0.916 10 0 DCAELO CCn1cc(C[N@H+]2CCCN(C(=O)C3CC(=O)C3)CC2)cn1 ZINC000136956403 395949575 /nfs/dbraw/zinc/94/95/75/395949575.db2.gz HAOPGACNPRDCKG-UHFFFAOYSA-N 1 2 304.394 0.916 10 0 DCAELO OCc1ccc2nc(-n3cc[nH+]c3)nc(N3CCOCC3)c2n1 ZINC000139092373 395953468 /nfs/dbraw/zinc/95/34/68/395953468.db2.gz BJJMFPKUZYCPJJ-UHFFFAOYSA-N 1 2 312.333 0.539 10 0 DCAELO CN1C[C@H](Nc2cc(N3CCC[C@H]3CO)nc[nH+]2)CCC1=O ZINC000246655949 395955399 /nfs/dbraw/zinc/95/53/99/395955399.db2.gz JVOWMROIVWBRLH-NEPJUHHUSA-N 1 2 305.382 0.470 10 0 DCAELO CN1C[C@H](Nc2cc(N3CCC[C@H]3CO)[nH+]cn2)CCC1=O ZINC000246655949 395955402 /nfs/dbraw/zinc/95/54/02/395955402.db2.gz JVOWMROIVWBRLH-NEPJUHHUSA-N 1 2 305.382 0.470 10 0 DCAELO COC(=O)[C@@H](C)N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC000247374161 395972865 /nfs/dbraw/zinc/97/28/65/395972865.db2.gz VASPOCIDCYQLPX-HUUCEWRRSA-N 1 2 313.442 0.275 10 0 DCAELO CN1CC[C@@H](Nc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)C1=O ZINC000150925863 395975745 /nfs/dbraw/zinc/97/57/45/395975745.db2.gz DGTIERDOWDDCEO-NWDGAFQWSA-N 1 2 305.382 0.328 10 0 DCAELO CN1CC[C@@H](Nc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)C1=O ZINC000150925863 395975746 /nfs/dbraw/zinc/97/57/46/395975746.db2.gz DGTIERDOWDDCEO-NWDGAFQWSA-N 1 2 305.382 0.328 10 0 DCAELO C[C@@H]([NH2+][C@H](C)c1cn(-c2ccccc2)nn1)C(=O)NC(N)=O ZINC000151244148 395983071 /nfs/dbraw/zinc/98/30/71/395983071.db2.gz XSKKVGKTURPBTE-NXEZZACHSA-N 1 2 302.338 0.501 10 0 DCAELO CCOC(=O)[C@@H](CC(C)C)[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000248442503 395987842 /nfs/dbraw/zinc/98/78/42/395987842.db2.gz VLLWAAJVPDISSX-VXGBXAGGSA-N 1 2 306.428 0.588 10 0 DCAELO CCOC(=O)[C@@H](CC(C)C)[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000248442503 395987845 /nfs/dbraw/zinc/98/78/45/395987845.db2.gz VLLWAAJVPDISSX-VXGBXAGGSA-N 1 2 306.428 0.588 10 0 DCAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H](C)[C@H](CO)SC ZINC000248621803 395991538 /nfs/dbraw/zinc/99/15/38/395991538.db2.gz AVPCEJLWGKVMIX-UPJWGTAASA-N 1 2 304.456 0.716 10 0 DCAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@H](C)[C@H](CO)SC ZINC000248621803 395991540 /nfs/dbraw/zinc/99/15/40/395991540.db2.gz AVPCEJLWGKVMIX-UPJWGTAASA-N 1 2 304.456 0.716 10 0 DCAELO CCn1cc([C@H]2C[N@H+](C[C@@H](O)Cn3cccn3)CCO2)cn1 ZINC000248690831 395994736 /nfs/dbraw/zinc/99/47/36/395994736.db2.gz ACTKTVDBOLTYIL-HUUCEWRRSA-N 1 2 305.382 0.534 10 0 DCAELO CCn1cc([C@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)CCO2)cn1 ZINC000248690831 395994739 /nfs/dbraw/zinc/99/47/39/395994739.db2.gz ACTKTVDBOLTYIL-HUUCEWRRSA-N 1 2 305.382 0.534 10 0 DCAELO CCS(=O)(=O)NCC[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OC ZINC000248822148 395997831 /nfs/dbraw/zinc/99/78/31/395997831.db2.gz JMKAASVTHNFTBA-SRVKXCTJSA-N 1 2 304.412 0.199 10 0 DCAELO CCS(=O)(=O)NCC[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OC ZINC000248822148 395997834 /nfs/dbraw/zinc/99/78/34/395997834.db2.gz JMKAASVTHNFTBA-SRVKXCTJSA-N 1 2 304.412 0.199 10 0 DCAELO Cn1cc[nH+]c1[C@@H]1CN(C(=O)[C@]2(O)CCSC2)CCN1C ZINC000276716603 396023274 /nfs/dbraw/zinc/02/32/74/396023274.db2.gz PYICSSYRTBAISW-FZMZJTMJSA-N 1 2 310.423 0.103 10 0 DCAELO CC(C)N(C)C(=O)C[N@@H+]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000067230334 396023638 /nfs/dbraw/zinc/02/36/38/396023638.db2.gz AFCCCDSZNABWGT-CQSZACIVSA-N 1 2 311.426 0.567 10 0 DCAELO CC(C)N(C)C(=O)C[N@H+]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000067230334 396023640 /nfs/dbraw/zinc/02/36/40/396023640.db2.gz AFCCCDSZNABWGT-CQSZACIVSA-N 1 2 311.426 0.567 10 0 DCAELO CCc1cccc(S(=O)(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1 ZINC000253149645 396025677 /nfs/dbraw/zinc/02/56/77/396025677.db2.gz DSENEQRTKAEFNQ-ZDUSSCGKSA-N 1 2 312.435 0.936 10 0 DCAELO CCc1cccc(S(=O)(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1 ZINC000253149645 396025679 /nfs/dbraw/zinc/02/56/79/396025679.db2.gz DSENEQRTKAEFNQ-ZDUSSCGKSA-N 1 2 312.435 0.936 10 0 DCAELO Cc1cccc(O[C@H](C)C(=O)NC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000154136278 396032302 /nfs/dbraw/zinc/03/23/02/396032302.db2.gz FKSDIBUTTOSSHB-HUUCEWRRSA-N 1 2 322.405 0.572 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@](C)(O)c2cccs2)C1 ZINC000154151222 396033124 /nfs/dbraw/zinc/03/31/24/396033124.db2.gz UCMZYYDDJBHACP-BXUZGUMPSA-N 1 2 313.423 0.585 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)NC[C@@](C)(O)c2cccs2)C1 ZINC000154151222 396033126 /nfs/dbraw/zinc/03/31/26/396033126.db2.gz UCMZYYDDJBHACP-BXUZGUMPSA-N 1 2 313.423 0.585 10 0 DCAELO Cn1nccc1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261601780 396047983 /nfs/dbraw/zinc/04/79/83/396047983.db2.gz AJFCYNMIVLCXGN-GFCCVEGCSA-N 1 2 307.379 0.150 10 0 DCAELO Cc1cc(CS(=O)(=O)N2CC[NH2+]C[C@H]2c2cccnc2)on1 ZINC000261663078 396053993 /nfs/dbraw/zinc/05/39/93/396053993.db2.gz IKBWIPZQJKMIRS-AWEZNQCLSA-N 1 2 322.390 0.854 10 0 DCAELO CCOC(=O)[C@@H]1CCCN(c2nc3c(cnn3C)c(N)[nH+]2)C1 ZINC000278362283 396121035 /nfs/dbraw/zinc/12/10/35/396121035.db2.gz KIEAOECMLISNMI-SECBINFHSA-N 1 2 304.354 0.725 10 0 DCAELO Cc1ccn2cc(CN3C[C@@]4(C(=O)[O-])C[NH2+]C[C@H]4C3=O)[nH+]c2c1 ZINC000072408862 396131495 /nfs/dbraw/zinc/13/14/95/396131495.db2.gz ZNRGONOGPURCGP-LRDDRELGSA-N 1 2 314.345 0.275 10 0 DCAELO CN(C(=O)CN1CC[C@@H]([NH+]2CCOCC2)C1)c1nccs1 ZINC000173949290 396136861 /nfs/dbraw/zinc/13/68/61/396136861.db2.gz VDQXGZPZXIRGPA-GFCCVEGCSA-N 1 2 310.423 0.512 10 0 DCAELO CN(C(=O)C[N@@H+]1CC[C@@H](N2CCOCC2)C1)c1nccs1 ZINC000173949290 396136864 /nfs/dbraw/zinc/13/68/64/396136864.db2.gz VDQXGZPZXIRGPA-GFCCVEGCSA-N 1 2 310.423 0.512 10 0 DCAELO CN(C(=O)C[N@H+]1CC[C@@H](N2CCOCC2)C1)c1nccs1 ZINC000173949290 396136866 /nfs/dbraw/zinc/13/68/66/396136866.db2.gz VDQXGZPZXIRGPA-GFCCVEGCSA-N 1 2 310.423 0.512 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)N2CCCN(CC(F)F)CC2)C1 ZINC000161716780 396077535 /nfs/dbraw/zinc/07/75/35/396077535.db2.gz ZCJXHLHMNVGGPJ-GFCCVEGCSA-N 1 2 320.384 0.299 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)N2CCCN(CC(F)F)CC2)C1 ZINC000161716780 396077540 /nfs/dbraw/zinc/07/75/40/396077540.db2.gz ZCJXHLHMNVGGPJ-GFCCVEGCSA-N 1 2 320.384 0.299 10 0 DCAELO Cc1ccc(NC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c(C)[nH+]1 ZINC000176763563 396160808 /nfs/dbraw/zinc/16/08/08/396160808.db2.gz ZQNAKTKLKGHOHT-LLVKDONJSA-N 1 2 312.395 0.854 10 0 DCAELO C[C@H]1CN(S(=O)(=O)c2cccnc2)C[C@@H]1[NH+]1CCOCC1 ZINC000176996619 396164776 /nfs/dbraw/zinc/16/47/76/396164776.db2.gz DRKKBNTUCUSAGX-JSGCOSHPSA-N 1 2 311.407 0.423 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)NCc2ccn3ccnc3c2)C1 ZINC000177951590 396186656 /nfs/dbraw/zinc/18/66/56/396186656.db2.gz QACTYHOXGJLUCH-CYBMUJFWSA-N 1 2 303.366 0.464 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)NCc2ccn3ccnc3c2)C1 ZINC000177951590 396186660 /nfs/dbraw/zinc/18/66/60/396186660.db2.gz QACTYHOXGJLUCH-CYBMUJFWSA-N 1 2 303.366 0.464 10 0 DCAELO CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1CCN(Cc2ccon2)CC1 ZINC000075857681 396188150 /nfs/dbraw/zinc/18/81/50/396188150.db2.gz OQVZPZOAAIVALP-LBPRGKRZSA-N 1 2 323.397 0.415 10 0 DCAELO O=C(NCc1cccnc1-n1cccn1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262901564 396190634 /nfs/dbraw/zinc/19/06/34/396190634.db2.gz DQGWBLUYFBBZSK-NSHDSACASA-N 1 2 307.304 0.881 10 0 DCAELO O=C(Nc1ccc(N2CCOCC2)nc1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263015815 396197873 /nfs/dbraw/zinc/19/78/73/396197873.db2.gz QHDMVGXXYLKHBR-NSHDSACASA-N 1 2 312.320 0.854 10 0 DCAELO Cn1nccc1[C@H]1CCCCN1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000281937680 396249841 /nfs/dbraw/zinc/24/98/41/396249841.db2.gz RKVWGSYJYWEXOU-UKRRQHHQSA-N 1 2 321.425 0.987 10 0 DCAELO Cn1nccc1[C@H]1CCCCN1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000281937680 396249843 /nfs/dbraw/zinc/24/98/43/396249843.db2.gz RKVWGSYJYWEXOU-UKRRQHHQSA-N 1 2 321.425 0.987 10 0 DCAELO CCOC(=O)CCS(=O)(=O)NCc1[nH+]ccn1CC(C)C ZINC000182418368 396250834 /nfs/dbraw/zinc/25/08/34/396250834.db2.gz PTORZIHCDQACSY-UHFFFAOYSA-N 1 2 317.411 0.912 10 0 DCAELO COc1ccc(Cl)cc1NC(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000179180367 396222907 /nfs/dbraw/zinc/22/29/07/396222907.db2.gz YOUJAMPMTSFRRV-MNOVXSKESA-N 1 2 314.769 0.715 10 0 DCAELO COc1ccc(Cl)cc1NC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000179180367 396222911 /nfs/dbraw/zinc/22/29/11/396222911.db2.gz YOUJAMPMTSFRRV-MNOVXSKESA-N 1 2 314.769 0.715 10 0 DCAELO COCC(=O)NC1C[NH+](C[C@@H](O)COc2c(C)cccc2C)C1 ZINC000185093173 396317567 /nfs/dbraw/zinc/31/75/67/396317567.db2.gz NMIOHBWVHSXINB-OAHLLOKOSA-N 1 2 322.405 0.490 10 0 DCAELO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(N)cc2)C[C@H]1C ZINC000186079723 396340571 /nfs/dbraw/zinc/34/05/71/396340571.db2.gz WYOHYKWYLRFNLO-VXGBXAGGSA-N 1 2 313.423 0.344 10 0 DCAELO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(N)cc2)C[C@H]1C ZINC000186079723 396340573 /nfs/dbraw/zinc/34/05/73/396340573.db2.gz WYOHYKWYLRFNLO-VXGBXAGGSA-N 1 2 313.423 0.344 10 0 DCAELO COc1ccc(F)cc1CNC(=O)NCC[NH+]1CCOCC1 ZINC000186102169 396341413 /nfs/dbraw/zinc/34/14/13/396341413.db2.gz VDLWKOIILVLAPW-UHFFFAOYSA-N 1 2 311.357 0.966 10 0 DCAELO Cn1ncc2c1ncnc2NCC(C)(C)[NH+]1CCS(=O)CC1 ZINC000265772547 396342652 /nfs/dbraw/zinc/34/26/52/396342652.db2.gz JFWATSKKWJRLEN-UHFFFAOYSA-N 1 2 322.438 0.618 10 0 DCAELO O=C1c2ccccc2C(=O)N1CCC[N@@H+]1CCO[C@@H](CO)C1 ZINC000267345659 396355676 /nfs/dbraw/zinc/35/56/76/396355676.db2.gz DRSIJDCIVBGOGW-GFCCVEGCSA-N 1 2 304.346 0.366 10 0 DCAELO O=C1c2ccccc2C(=O)N1CCC[N@H+]1CCO[C@@H](CO)C1 ZINC000267345659 396355678 /nfs/dbraw/zinc/35/56/78/396355678.db2.gz DRSIJDCIVBGOGW-GFCCVEGCSA-N 1 2 304.346 0.366 10 0 DCAELO Cc1ccc(C[NH+]2CCN(C(=O)C(=O)NC(C)C)CC2)c(C)n1 ZINC000186442041 396350078 /nfs/dbraw/zinc/35/00/78/396350078.db2.gz CQTPVOPKBWTMIT-UHFFFAOYSA-N 1 2 318.421 0.867 10 0 DCAELO CC(C)C[C@H](CO)N(C)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000188356818 396381683 /nfs/dbraw/zinc/38/16/83/396381683.db2.gz BRRGSYXBOMHFKA-ZIAGYGMSSA-N 1 2 301.431 0.756 10 0 DCAELO CN1C(=O)C[C@H]([NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)C1=O ZINC000189381705 396394234 /nfs/dbraw/zinc/39/42/34/396394234.db2.gz HCYHJMYPOVVFNN-LBPRGKRZSA-N 1 2 303.366 0.166 10 0 DCAELO C[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccncc2)CCN1CCO ZINC000190244239 396403729 /nfs/dbraw/zinc/40/37/29/396403729.db2.gz SSDXOIONOADEBC-AWEZNQCLSA-N 1 2 315.421 0.981 10 0 DCAELO C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccncc2)CCN1CCO ZINC000190244239 396403731 /nfs/dbraw/zinc/40/37/31/396403731.db2.gz SSDXOIONOADEBC-AWEZNQCLSA-N 1 2 315.421 0.981 10 0 DCAELO CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(c2nnc(CC)[nH]2)CC1 ZINC000190693384 396410227 /nfs/dbraw/zinc/41/02/27/396410227.db2.gz LTZOXNMDYRGPPN-SNVBAGLBSA-N 1 2 322.413 0.781 10 0 DCAELO CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(c2nc(CC)n[nH]2)CC1 ZINC000190693384 396410229 /nfs/dbraw/zinc/41/02/29/396410229.db2.gz LTZOXNMDYRGPPN-SNVBAGLBSA-N 1 2 322.413 0.781 10 0 DCAELO CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(c2n[nH]c(CC)n2)CC1 ZINC000190693384 396410231 /nfs/dbraw/zinc/41/02/31/396410231.db2.gz LTZOXNMDYRGPPN-SNVBAGLBSA-N 1 2 322.413 0.781 10 0 DCAELO COc1ncc(Cl)c(NC[C@@H](O)C[NH+]2CCOCC2)n1 ZINC000269369933 396410518 /nfs/dbraw/zinc/41/05/18/396410518.db2.gz PAOAJEFHLUHNMZ-SECBINFHSA-N 1 2 302.762 0.244 10 0 DCAELO CCCC[C@@H](C(=O)OC)[N@@H+]1CCCN(CCOC)C(=O)C1 ZINC000190784098 396411168 /nfs/dbraw/zinc/41/11/68/396411168.db2.gz XDKMVJAHTFVQRQ-ZDUSSCGKSA-N 1 2 300.399 0.899 10 0 DCAELO CCCC[C@@H](C(=O)OC)[N@H+]1CCCN(CCOC)C(=O)C1 ZINC000190784098 396411171 /nfs/dbraw/zinc/41/11/71/396411171.db2.gz XDKMVJAHTFVQRQ-ZDUSSCGKSA-N 1 2 300.399 0.899 10 0 DCAELO COCCN1CCC[N@H+](CC(=O)N2CCCC[C@@H]2C)CC1=O ZINC000190764342 396411264 /nfs/dbraw/zinc/41/12/64/396411264.db2.gz WERBALUMBRBMAH-AWEZNQCLSA-N 1 2 311.426 0.568 10 0 DCAELO COCCN1CCC[N@@H+](CC(=O)N2CCCC[C@@H]2C)CC1=O ZINC000190764342 396411266 /nfs/dbraw/zinc/41/12/66/396411266.db2.gz WERBALUMBRBMAH-AWEZNQCLSA-N 1 2 311.426 0.568 10 0 DCAELO C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CCCN(C)C(=O)C1 ZINC000191090054 396415423 /nfs/dbraw/zinc/41/54/23/396415423.db2.gz MJSIXHBQLUNPBY-STQMWFEESA-N 1 2 324.425 0.555 10 0 DCAELO C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CCCN(C)C(=O)C1 ZINC000191090054 396415426 /nfs/dbraw/zinc/41/54/26/396415426.db2.gz MJSIXHBQLUNPBY-STQMWFEESA-N 1 2 324.425 0.555 10 0 DCAELO COC(=O)[C@@H](C)N(C[C@H](O)C[NH+]1CCOCC1)C1CCC1 ZINC000192379217 396430655 /nfs/dbraw/zinc/43/06/55/396430655.db2.gz UALDHMNEISSMAC-TZMCWYRMSA-N 1 2 300.399 0.096 10 0 DCAELO CC(=O)NCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000192476249 396431389 /nfs/dbraw/zinc/43/13/89/396431389.db2.gz YHKWFAUUQVPICB-RYUDHWBXSA-N 1 2 320.393 0.448 10 0 DCAELO COCC[NH+]1CCN(S(=O)(=O)N2CCC[C@H](C)C2)CC1 ZINC000192855289 396438660 /nfs/dbraw/zinc/43/86/60/396438660.db2.gz QSEHXRIJXDGXTD-ZDUSSCGKSA-N 1 2 305.444 0.227 10 0 DCAELO Cc1ccccc1CCNC(=O)C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000371817368 396477509 /nfs/dbraw/zinc/47/75/09/396477509.db2.gz WBZVBRBHPQUPBG-QGZVFWFLSA-N 1 2 317.433 0.670 10 0 DCAELO Cc1ccccc1CCNC(=O)C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000371817368 396477511 /nfs/dbraw/zinc/47/75/11/396477511.db2.gz WBZVBRBHPQUPBG-QGZVFWFLSA-N 1 2 317.433 0.670 10 0 DCAELO O=C(C[N@@H+]1CCN2CCOC[C@@H]2C1)NCCOc1ccccc1 ZINC000371833458 396478202 /nfs/dbraw/zinc/47/82/02/396478202.db2.gz ABKXORAXSBVIDG-HNNXBMFYSA-N 1 2 319.405 0.198 10 0 DCAELO O=C(C[N@H+]1CCN2CCOC[C@@H]2C1)NCCOc1ccccc1 ZINC000371833458 396478203 /nfs/dbraw/zinc/47/82/03/396478203.db2.gz ABKXORAXSBVIDG-HNNXBMFYSA-N 1 2 319.405 0.198 10 0 DCAELO Cc1noc(C2CN(C(=O)[C@H]3COCC[N@@H+]3CC3CCC3)C2)n1 ZINC000373085945 396564722 /nfs/dbraw/zinc/56/47/22/396564722.db2.gz HFRLWIRSWUDYAX-CQSZACIVSA-N 1 2 320.393 0.805 10 0 DCAELO Cc1noc(C2CN(C(=O)[C@H]3COCC[N@H+]3CC3CCC3)C2)n1 ZINC000373085945 396564723 /nfs/dbraw/zinc/56/47/23/396564723.db2.gz HFRLWIRSWUDYAX-CQSZACIVSA-N 1 2 320.393 0.805 10 0 DCAELO C[C@@H]1C[C@@H](CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CCO1 ZINC000374285070 396652456 /nfs/dbraw/zinc/65/24/56/396652456.db2.gz RQJWKYKERSBWPR-QLFBSQMISA-N 1 2 311.426 0.918 10 0 DCAELO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1CCN1C(=O)NC(C)(C)C1=O ZINC000533378492 396602182 /nfs/dbraw/zinc/60/21/82/396602182.db2.gz JBBUEIHPMUUFBB-NSHDSACASA-N 1 2 311.382 0.733 10 0 DCAELO CC(C)OC(=O)[C@@H]1CCC[N@H+]1CCN1C(=O)NC(C)(C)C1=O ZINC000533378492 396602185 /nfs/dbraw/zinc/60/21/85/396602185.db2.gz JBBUEIHPMUUFBB-NSHDSACASA-N 1 2 311.382 0.733 10 0 DCAELO C[C@H](C[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1)CS(C)(=O)=O ZINC000373802668 396615199 /nfs/dbraw/zinc/61/51/99/396615199.db2.gz AKANGCALVYWLGG-MGPQQGTHSA-N 1 2 305.440 0.937 10 0 DCAELO C[C@H](C[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1)CS(C)(=O)=O ZINC000373802668 396615201 /nfs/dbraw/zinc/61/52/01/396615201.db2.gz AKANGCALVYWLGG-MGPQQGTHSA-N 1 2 305.440 0.937 10 0 DCAELO CCN1CCN(C(=O)c2cn(C)nc2C)C[C@H]1c1[nH+]ccn1C ZINC000328624427 396824392 /nfs/dbraw/zinc/82/43/92/396824392.db2.gz JWHQGEOOHZHJCR-AWEZNQCLSA-N 1 2 316.409 0.981 10 0 DCAELO CN1CCN(C(=O)[C@@H](O)c2ccccc2)C[C@H]1c1[nH]cc[nH+]1 ZINC000328639235 396828712 /nfs/dbraw/zinc/82/87/12/396828712.db2.gz WTSCRVMRJMIRHX-KBPBESRZSA-N 1 2 300.362 0.958 10 0 DCAELO O=C(CN1CCOCC1=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000564705916 396858098 /nfs/dbraw/zinc/85/80/98/396858098.db2.gz WFXWGZLLSJUBMN-UHFFFAOYSA-N 1 2 300.318 0.874 10 0 DCAELO CCC[C@H](C(=O)OCC)[NH+]1CCN(Cc2nnc(C)[nH]2)CC1 ZINC000611431063 396866640 /nfs/dbraw/zinc/86/66/40/396866640.db2.gz KXIWEPUOWVRNOS-CYBMUJFWSA-N 1 2 309.414 0.963 10 0 DCAELO C[C@H](NC(=O)C1CCCC1)C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000332762694 396893121 /nfs/dbraw/zinc/89/31/21/396893121.db2.gz WVUSRRBEWCHSSW-AEGPPILISA-N 1 2 323.437 0.613 10 0 DCAELO C[C@H](NC(=O)C1CCCC1)C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000332762694 396893125 /nfs/dbraw/zinc/89/31/25/396893125.db2.gz WVUSRRBEWCHSSW-AEGPPILISA-N 1 2 323.437 0.613 10 0 DCAELO CO[C@@H]1C[NH+]([C@@H]2CCN(c3cc(C)nn3C)C2=O)C[C@H]1OC ZINC000328687199 285772660 /nfs/dbraw/zinc/77/26/60/285772660.db2.gz YYCVPPHKSBKIQB-JHJVBQTASA-N 1 2 308.382 0.179 10 0 DCAELO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1c(Cl)cnn1C ZINC000408381997 397355677 /nfs/dbraw/zinc/35/56/77/397355677.db2.gz AZIGXJMVLBGHDB-DTWKUNHWSA-N 1 2 306.819 0.787 10 0 DCAELO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1c(Cl)cnn1C ZINC000408381997 397355681 /nfs/dbraw/zinc/35/56/81/397355681.db2.gz AZIGXJMVLBGHDB-DTWKUNHWSA-N 1 2 306.819 0.787 10 0 DCAELO CCOc1ncnc2c1C[N@H+](C[C@@H](O)Cn1cccn1)CC2 ZINC000368845567 397428800 /nfs/dbraw/zinc/42/88/00/397428800.db2.gz MXJHSMLPOXZCJO-GFCCVEGCSA-N 1 2 303.366 0.491 10 0 DCAELO CCOc1ncnc2c1C[N@@H+](C[C@@H](O)Cn1cccn1)CC2 ZINC000368845567 397428802 /nfs/dbraw/zinc/42/88/02/397428802.db2.gz MXJHSMLPOXZCJO-GFCCVEGCSA-N 1 2 303.366 0.491 10 0 DCAELO CCOC(=O)c1ncc(C[N@@H+]2C[C@H](OC)C[C@H]2CO)s1 ZINC000602828945 397496012 /nfs/dbraw/zinc/49/60/12/397496012.db2.gz RINKSURIPVAAJX-VHSXEESVSA-N 1 2 300.380 0.901 10 0 DCAELO CCOC(=O)c1ncc(C[N@H+]2C[C@H](OC)C[C@H]2CO)s1 ZINC000602828945 397496020 /nfs/dbraw/zinc/49/60/20/397496020.db2.gz RINKSURIPVAAJX-VHSXEESVSA-N 1 2 300.380 0.901 10 0 DCAELO Cc1nnc(CC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)o1 ZINC000606231870 397678432 /nfs/dbraw/zinc/67/84/32/397678432.db2.gz PNPCNIFYDAOAOS-ZDUSSCGKSA-N 1 2 308.382 0.634 10 0 DCAELO C[C@@H]1C[NH+](CCNS(=O)(=O)c2ccc(O)cc2)C[C@@H](C)O1 ZINC000606302418 397678833 /nfs/dbraw/zinc/67/88/33/397678833.db2.gz FHFQSHOGCVZQNR-VXGBXAGGSA-N 1 2 314.407 0.780 10 0 DCAELO COC(=O)[C@H]1CCC[N@H+](Cc2nc3c(cnn3C)c(=O)[nH]2)C1 ZINC000608975554 397759681 /nfs/dbraw/zinc/75/96/81/397759681.db2.gz UGPLEEKHEMDBIG-VIFPVBQESA-N 1 2 305.338 0.454 10 0 DCAELO COC(=O)[C@H]1CCC[N@@H+](Cc2nc3c(cnn3C)c(=O)[nH]2)C1 ZINC000608975554 397759685 /nfs/dbraw/zinc/75/96/85/397759685.db2.gz UGPLEEKHEMDBIG-VIFPVBQESA-N 1 2 305.338 0.454 10 0 DCAELO CN(C)C(=O)CNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000048042952 158005806 /nfs/dbraw/zinc/00/58/06/158005806.db2.gz MVKBZHFFDLGCBC-UHFFFAOYSA-N 1 2 305.382 0.438 10 0 DCAELO CCc1ccc(S(=O)(=O)N2CCC[N@H+](CCO)CC2)s1 ZINC000071349293 158048740 /nfs/dbraw/zinc/04/87/40/158048740.db2.gz QYUXZEBOSRJVQJ-UHFFFAOYSA-N 1 2 318.464 0.999 10 0 DCAELO CCc1ccc(S(=O)(=O)N2CCC[N@@H+](CCO)CC2)s1 ZINC000071349293 158048742 /nfs/dbraw/zinc/04/87/42/158048742.db2.gz QYUXZEBOSRJVQJ-UHFFFAOYSA-N 1 2 318.464 0.999 10 0 DCAELO C[C@@H](CNC(=O)[C@@H]1CCCN1c1nccs1)[NH+]1CCOCC1 ZINC000075573901 158061956 /nfs/dbraw/zinc/06/19/56/158061956.db2.gz ZSUUNXHUGAVRFU-STQMWFEESA-N 1 2 324.450 0.949 10 0 DCAELO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1cc(-c2ccco2)on1 ZINC000090698325 158104699 /nfs/dbraw/zinc/10/46/99/158104699.db2.gz YCZZBMSDHIVYMX-LLVKDONJSA-N 1 2 302.334 0.664 10 0 DCAELO Cc1nc(C)c(CCNC(=O)NC[C@H]2C[N@H+](C)CCO2)s1 ZINC000108441456 158136093 /nfs/dbraw/zinc/13/60/93/158136093.db2.gz OLBYRPMWJNMZGQ-LBPRGKRZSA-N 1 2 312.439 0.932 10 0 DCAELO Cc1nc(C)c(CCNC(=O)NC[C@H]2C[N@@H+](C)CCO2)s1 ZINC000108441456 158136094 /nfs/dbraw/zinc/13/60/94/158136094.db2.gz OLBYRPMWJNMZGQ-LBPRGKRZSA-N 1 2 312.439 0.932 10 0 DCAELO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)c2cc[nH]c2)CC1 ZINC000110817341 158138786 /nfs/dbraw/zinc/13/87/86/158138786.db2.gz WRFJEQJCIXZBJF-ZDUSSCGKSA-N 1 2 320.393 0.020 10 0 DCAELO CC[C@H]1CN(S(=O)(=O)CCCOC)CC[N@@H+]1CCOC ZINC000117371860 158171377 /nfs/dbraw/zinc/17/13/77/158171377.db2.gz KDFPLNPJCIJNER-ZDUSSCGKSA-N 1 2 308.444 0.395 10 0 DCAELO CC[C@H]1CN(S(=O)(=O)CCCOC)CC[N@H+]1CCOC ZINC000117371860 158171381 /nfs/dbraw/zinc/17/13/81/158171381.db2.gz KDFPLNPJCIJNER-ZDUSSCGKSA-N 1 2 308.444 0.395 10 0 DCAELO COCC[N@@H+]1CCN(S(=O)(=O)C[C@@H]2CCOC2)C[C@H]1C ZINC000117369384 158171580 /nfs/dbraw/zinc/17/15/80/158171580.db2.gz DXVCRVWVLRSRRC-CHWSQXEVSA-N 1 2 306.428 0.005 10 0 DCAELO COCC[N@H+]1CCN(S(=O)(=O)C[C@@H]2CCOC2)C[C@H]1C ZINC000117369384 158171581 /nfs/dbraw/zinc/17/15/81/158171581.db2.gz DXVCRVWVLRSRRC-CHWSQXEVSA-N 1 2 306.428 0.005 10 0 DCAELO CCOCC[N@@H+]1CCN(S(=O)(=O)[C@@H](C)COC)C[C@@H]1C ZINC000117925355 158174889 /nfs/dbraw/zinc/17/48/89/158174889.db2.gz CMTPXZZCAHHKHB-STQMWFEESA-N 1 2 308.444 0.394 10 0 DCAELO CCOCC[N@H+]1CCN(S(=O)(=O)[C@@H](C)COC)C[C@@H]1C ZINC000117925355 158174893 /nfs/dbraw/zinc/17/48/93/158174893.db2.gz CMTPXZZCAHHKHB-STQMWFEESA-N 1 2 308.444 0.394 10 0 DCAELO O=C(C[N@H+]1CC=C(c2cccs2)CC1)N1CCNC(=O)C1 ZINC000117895345 158174927 /nfs/dbraw/zinc/17/49/27/158174927.db2.gz YKHLJLOMEBZUBT-UHFFFAOYSA-N 1 2 305.403 0.796 10 0 DCAELO O=C(C[N@@H+]1CC=C(c2cccs2)CC1)N1CCNC(=O)C1 ZINC000117895345 158174929 /nfs/dbraw/zinc/17/49/29/158174929.db2.gz YKHLJLOMEBZUBT-UHFFFAOYSA-N 1 2 305.403 0.796 10 0 DCAELO O=S(=O)(NC[C@@H]1C[N@@H+](C2CC2)CCO1)N1CCCCCC1 ZINC000123657117 158233309 /nfs/dbraw/zinc/23/33/09/158233309.db2.gz PNLDWKRPOGQVPW-CQSZACIVSA-N 1 2 317.455 0.560 10 0 DCAELO O=S(=O)(NC[C@@H]1C[N@H+](C2CC2)CCO1)N1CCCCCC1 ZINC000123657117 158233311 /nfs/dbraw/zinc/23/33/11/158233311.db2.gz PNLDWKRPOGQVPW-CQSZACIVSA-N 1 2 317.455 0.560 10 0 DCAELO O=C(NC[C@H]1CCCS1(=O)=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000124571654 158243514 /nfs/dbraw/zinc/24/35/14/158243514.db2.gz TZZNTWGWEMUNGU-CHWSQXEVSA-N 1 2 313.423 0.219 10 0 DCAELO CSc1ccc(C(=O)NC[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000129078187 158284963 /nfs/dbraw/zinc/28/49/63/158284963.db2.gz QVDJNMMZBOHKJW-ZDUSSCGKSA-N 1 2 310.419 0.831 10 0 DCAELO CCCNC(=O)C[N@@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000135730855 158340541 /nfs/dbraw/zinc/34/05/41/158340541.db2.gz CUZDAMJNGYXVFZ-GFCCVEGCSA-N 1 2 303.428 0.013 10 0 DCAELO CCCNC(=O)C[N@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000135730855 158340544 /nfs/dbraw/zinc/34/05/44/158340544.db2.gz CUZDAMJNGYXVFZ-GFCCVEGCSA-N 1 2 303.428 0.013 10 0 DCAELO CCCCNC(=O)[C@@H](C)[NH+]1CCN(c2nccc(OC)n2)CC1 ZINC000140241901 158347959 /nfs/dbraw/zinc/34/79/59/158347959.db2.gz LNKICKCIAMKEAY-CYBMUJFWSA-N 1 2 321.425 0.912 10 0 DCAELO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CCNS(C)(=O)=O ZINC000170958258 158378303 /nfs/dbraw/zinc/37/83/03/158378303.db2.gz NPZDLSKBTLZZKM-WOPDTQHZSA-N 1 2 304.412 0.342 10 0 DCAELO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CCNS(C)(=O)=O ZINC000170958258 158378307 /nfs/dbraw/zinc/37/83/07/158378307.db2.gz NPZDLSKBTLZZKM-WOPDTQHZSA-N 1 2 304.412 0.342 10 0 DCAELO Cc1ncsc1C[N@H+](C)CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000171750302 158386576 /nfs/dbraw/zinc/38/65/76/158386576.db2.gz HIYNIGLPVYYYPX-NSHDSACASA-N 1 2 310.423 0.607 10 0 DCAELO Cc1ncsc1C[N@@H+](C)CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000171750302 158386577 /nfs/dbraw/zinc/38/65/77/158386577.db2.gz HIYNIGLPVYYYPX-NSHDSACASA-N 1 2 310.423 0.607 10 0 DCAELO O=C(c1cccc2c1OCO2)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172753342 158398505 /nfs/dbraw/zinc/39/85/05/158398505.db2.gz IBAYFVYBZOGDEI-LBPRGKRZSA-N 1 2 304.346 0.962 10 0 DCAELO Cc1nn(C)c(Cl)c1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172744398 158398819 /nfs/dbraw/zinc/39/88/19/158398819.db2.gz PBVYSWSYTLMOHK-LLVKDONJSA-N 1 2 312.801 0.929 10 0 DCAELO CC(=O)N[C@H](C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)C1CCCC1 ZINC000172766495 158399336 /nfs/dbraw/zinc/39/93/36/158399336.db2.gz XLFXZTXVESMUIK-CVEARBPZSA-N 1 2 323.437 0.614 10 0 DCAELO CCOCCO[C@H](C)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172763992 158399917 /nfs/dbraw/zinc/39/99/17/158399917.db2.gz DROZNNHNVAJSBI-ZIAGYGMSSA-N 1 2 300.399 0.361 10 0 DCAELO O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263097205 158856027 /nfs/dbraw/zinc/85/60/27/158856027.db2.gz YZKFVUPVUKLFDP-IUCAKERBSA-N 1 2 315.286 0.984 10 0 DCAELO CC(=O)N1CCC[C@@H]1C(=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000328727273 159025042 /nfs/dbraw/zinc/02/50/42/159025042.db2.gz VASKARZXVPRSAI-LSDHHAIUSA-N 1 2 302.378 0.565 10 0 DCAELO CC[C@H](C(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1)N1CCCC1=O ZINC000328874485 159037225 /nfs/dbraw/zinc/03/72/25/159037225.db2.gz JLISTNGKJJABKS-MGPQQGTHSA-N 1 2 309.410 0.319 10 0 DCAELO CC[C@H](C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1)N1CCCC1=O ZINC000328874485 159037226 /nfs/dbraw/zinc/03/72/26/159037226.db2.gz JLISTNGKJJABKS-MGPQQGTHSA-N 1 2 309.410 0.319 10 0 DCAELO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@@H]2COCCN2C)C1 ZINC000328984671 159050211 /nfs/dbraw/zinc/05/02/11/159050211.db2.gz SWLXBTCYESXETR-KBPBESRZSA-N 1 2 306.410 0.532 10 0 DCAELO O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CCC[C@@](F)(CO)C1 ZINC000329198103 159072666 /nfs/dbraw/zinc/07/26/66/159072666.db2.gz AGYBUGVYYYZSHS-ZBFHGGJFSA-N 1 2 314.401 0.953 10 0 DCAELO O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CCC[C@@](F)(CO)C1 ZINC000329198103 159072669 /nfs/dbraw/zinc/07/26/69/159072669.db2.gz AGYBUGVYYYZSHS-ZBFHGGJFSA-N 1 2 314.401 0.953 10 0 DCAELO CC(C)(C(N)=O)[NH+]1CCN(C(=O)c2cnn3ccncc23)CC1 ZINC000329274751 159078090 /nfs/dbraw/zinc/07/80/90/159078090.db2.gz JOHVPKXTOUTEEN-UHFFFAOYSA-N 1 2 316.365 0.801 10 0 DCAELO Cc1nc(N2CCN(C(=O)[C@@H]3[C@H]4CCCO[C@H]43)CC2)cc[nH+]1 ZINC000329493970 159097383 /nfs/dbraw/zinc/09/73/83/159097383.db2.gz FDSIKRIRHVQIKQ-BPLDGKMQSA-N 1 2 302.378 0.859 10 0 DCAELO CCN1C[C@H](C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)CC1=O ZINC000329750944 159117106 /nfs/dbraw/zinc/11/71/06/159117106.db2.gz VGLNRDJNZMZXJK-BFHYXJOUSA-N 1 2 309.410 0.034 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(S(=O)(=O)NC3CCCC3)C[C@H]21 ZINC000329821261 159121783 /nfs/dbraw/zinc/12/17/83/159121783.db2.gz HCLNKQVIPJNCJH-CHWSQXEVSA-N 1 2 303.428 0.168 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(S(=O)(=O)NC3CCCC3)C[C@H]21 ZINC000329821261 159121785 /nfs/dbraw/zinc/12/17/85/159121785.db2.gz HCLNKQVIPJNCJH-CHWSQXEVSA-N 1 2 303.428 0.168 10 0 DCAELO O=C([C@H]1CCCO1)N1CC[NH+]([C@H]2CCN(C3CC3)C2=O)CC1 ZINC000330090969 159141099 /nfs/dbraw/zinc/14/10/99/159141099.db2.gz XHPFHWZRTKFNSA-UONOGXRCSA-N 1 2 307.394 0.073 10 0 DCAELO C[C@H](C(=O)N1CCO[C@H](COCC2CC2)C1)[NH+]1CCOCC1 ZINC000330156622 159146406 /nfs/dbraw/zinc/14/64/06/159146406.db2.gz YUXNJAAKDJACAS-HIFRSBDPSA-N 1 2 312.410 0.361 10 0 DCAELO Cc1cccc2nc(C[N@@H+]3CCN4C(=O)NC[C@@H]4C3)cc(=O)n12 ZINC000330278284 159155899 /nfs/dbraw/zinc/15/58/99/159155899.db2.gz PKVQQMRASQRQBT-CYBMUJFWSA-N 1 2 313.361 0.417 10 0 DCAELO Cc1cccc2nc(C[N@H+]3CCN4C(=O)NC[C@@H]4C3)cc(=O)n12 ZINC000330278284 159155901 /nfs/dbraw/zinc/15/59/01/159155901.db2.gz PKVQQMRASQRQBT-CYBMUJFWSA-N 1 2 313.361 0.417 10 0 DCAELO CNC(=O)[C@H]1CCCN1C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000332724389 159210825 /nfs/dbraw/zinc/21/08/25/159210825.db2.gz LBPCUTGHBSADMM-QWHCGFSZSA-N 1 2 319.409 0.989 10 0 DCAELO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CCCNC(=O)[C@@H]1C)CCC2 ZINC000332933824 159217454 /nfs/dbraw/zinc/21/74/54/159217454.db2.gz JOCZPXAMCPXAIC-QWHCGFSZSA-N 1 2 319.409 0.989 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCCS(N)(=O)=O)C2 ZINC000359267736 159258987 /nfs/dbraw/zinc/25/89/87/159258987.db2.gz GXPHZZBJLHJZPF-VIFPVBQESA-N 1 2 314.411 0.043 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCCS(N)(=O)=O)CC2 ZINC000359267736 159258989 /nfs/dbraw/zinc/25/89/89/159258989.db2.gz GXPHZZBJLHJZPF-VIFPVBQESA-N 1 2 314.411 0.043 10 0 DCAELO C[N@@H+](CC(N)=O)C[C@@H]1CN(Cc2ccc(Cl)cn2)CCO1 ZINC000367050338 159308530 /nfs/dbraw/zinc/30/85/30/159308530.db2.gz OGRXBSQCEMTYKQ-CYBMUJFWSA-N 1 2 312.801 0.353 10 0 DCAELO C[N@H+](CC(N)=O)C[C@@H]1CN(Cc2ccc(Cl)cn2)CCO1 ZINC000367050338 159308533 /nfs/dbraw/zinc/30/85/33/159308533.db2.gz OGRXBSQCEMTYKQ-CYBMUJFWSA-N 1 2 312.801 0.353 10 0 DCAELO Cc1noc([C@H]2C[N@H+]([C@H](C)C(=O)N(C)C(C)C)CCN2C)n1 ZINC000408033954 160017874 /nfs/dbraw/zinc/01/78/74/160017874.db2.gz BYMNMOJGBMJKMA-DGCLKSJQSA-N 1 2 309.414 0.922 10 0 DCAELO Cc1noc([C@H]2C[N@@H+]([C@H](C)C(=O)N(C)C(C)C)CCN2C)n1 ZINC000408033954 160017876 /nfs/dbraw/zinc/01/78/76/160017876.db2.gz BYMNMOJGBMJKMA-DGCLKSJQSA-N 1 2 309.414 0.922 10 0 DCAELO C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)NCc1cn2ccccc2[nH+]1 ZINC000408142879 160046625 /nfs/dbraw/zinc/04/66/25/160046625.db2.gz RYEJCPYGFRHOGQ-NEPJUHHUSA-N 1 2 324.406 0.778 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)NCc2cn3ccccc3[nH+]2)[C@H](C)CO1 ZINC000408142884 160047051 /nfs/dbraw/zinc/04/70/51/160047051.db2.gz RYEJCPYGFRHOGQ-VXGBXAGGSA-N 1 2 324.406 0.778 10 0 DCAELO COCC[N@@H+]1CCN(S(=O)(=O)N(C)CC2CC2)C[C@H]1C ZINC000408204586 160059340 /nfs/dbraw/zinc/05/93/40/160059340.db2.gz VHEVLVZSRQTLBU-GFCCVEGCSA-N 1 2 305.444 0.226 10 0 DCAELO COCC[N@H+]1CCN(S(=O)(=O)N(C)CC2CC2)C[C@H]1C ZINC000408204586 160059341 /nfs/dbraw/zinc/05/93/41/160059341.db2.gz VHEVLVZSRQTLBU-GFCCVEGCSA-N 1 2 305.444 0.226 10 0 DCAELO CC[C@@H]1C[C@@H](C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CC(=O)N1 ZINC000408206773 160059839 /nfs/dbraw/zinc/05/98/39/160059839.db2.gz UQKJOJXXKXHGIB-MCIONIFRSA-N 1 2 309.410 0.224 10 0 DCAELO CC1CCN(C(=O)C[N@H+](C)C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000408220396 160063248 /nfs/dbraw/zinc/06/32/48/160063248.db2.gz WBNMCNILFHWAAA-ZDUSSCGKSA-N 1 2 302.440 0.611 10 0 DCAELO CC1CCN(C(=O)C[N@@H+](C)C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000408220396 160063249 /nfs/dbraw/zinc/06/32/49/160063249.db2.gz WBNMCNILFHWAAA-ZDUSSCGKSA-N 1 2 302.440 0.611 10 0 DCAELO CC(C)(C)n1nnnc1C[NH+]1CCC(N2CCNC2=O)CC1 ZINC000408240611 160067153 /nfs/dbraw/zinc/06/71/53/160067153.db2.gz DTJAFWSJVJRUHC-UHFFFAOYSA-N 1 2 307.402 0.418 10 0 DCAELO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)N2CCC(C)CC2)CC1 ZINC000408432597 160107017 /nfs/dbraw/zinc/10/70/17/160107017.db2.gz HCOMAYOEDZDXSP-AWEZNQCLSA-N 1 2 319.471 0.352 10 0 DCAELO C[C@@H](C(=O)N1CCCCC1)[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247209076 287092138 /nfs/dbraw/zinc/09/21/38/287092138.db2.gz ULOFMAMYBARZJD-NWDGAFQWSA-N 1 2 303.428 0.011 10 0 DCAELO C[C@@H](C(=O)N1CCCCC1)[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247209076 287092139 /nfs/dbraw/zinc/09/21/39/287092139.db2.gz ULOFMAMYBARZJD-NWDGAFQWSA-N 1 2 303.428 0.011 10 0 DCAELO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)N2CCC[C@H]2C)CC1 ZINC000248668287 287099542 /nfs/dbraw/zinc/09/95/42/287099542.db2.gz ADOFRTYUNWIUHT-OLZOCXBDSA-N 1 2 305.444 0.104 10 0 DCAELO CC(=O)[C@@](C)(O)C[NH+]1CCN(C(=O)c2ccccc2O)CC1 ZINC000331251214 287145507 /nfs/dbraw/zinc/14/55/07/287145507.db2.gz XIXLMBRNGBKKID-INIZCTEOSA-N 1 2 306.362 0.490 10 0 DCAELO CCNS(=O)(=O)c1ccccc1N1CC[NH+](CCO)CC1 ZINC000040452396 415198749 /nfs/dbraw/zinc/19/87/49/415198749.db2.gz VGBQADOLGBFAPI-UHFFFAOYSA-N 1 2 313.423 0.099 10 0 DCAELO C[C@H](CNC(=O)N(C)CC(=O)NC(C)(C)C)[NH+]1CCOCC1 ZINC000046264845 415257802 /nfs/dbraw/zinc/25/78/02/415257802.db2.gz DWMOLCZDADJYJB-GFCCVEGCSA-N 1 2 314.430 0.263 10 0 DCAELO CCOCCCNC(=O)[C@H](C)[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000081085017 415482600 /nfs/dbraw/zinc/48/26/00/415482600.db2.gz ZWCUKISTVIGAKL-CMPLNLGQSA-N 1 2 312.332 0.917 10 0 DCAELO CCOCCCNC(=O)[C@H](C)[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000081085017 415482603 /nfs/dbraw/zinc/48/26/03/415482603.db2.gz ZWCUKISTVIGAKL-CMPLNLGQSA-N 1 2 312.332 0.917 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)NCCc3cnccn3)C[C@@H]21 ZINC000332751267 415462558 /nfs/dbraw/zinc/46/25/58/415462558.db2.gz BVDKJDOJRAYGHT-KBPBESRZSA-N 1 2 305.382 0.134 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)NCCc3cnccn3)C[C@@H]21 ZINC000332751267 415462563 /nfs/dbraw/zinc/46/25/63/415462563.db2.gz BVDKJDOJRAYGHT-KBPBESRZSA-N 1 2 305.382 0.134 10 0 DCAELO C[N@@H+]1CCO[C@H]2CN(C(=O)NCc3noc(C4CC4)n3)C[C@@H]21 ZINC000332765166 415464623 /nfs/dbraw/zinc/46/46/23/415464623.db2.gz LKROPYZXSQHMEQ-QWRGUYRKSA-N 1 2 307.354 0.171 10 0 DCAELO C[N@H+]1CCO[C@H]2CN(C(=O)NCc3noc(C4CC4)n3)C[C@@H]21 ZINC000332765166 415464630 /nfs/dbraw/zinc/46/46/30/415464630.db2.gz LKROPYZXSQHMEQ-QWRGUYRKSA-N 1 2 307.354 0.171 10 0 DCAELO CCc1nn(C)cc1NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000284851168 415600271 /nfs/dbraw/zinc/60/02/71/415600271.db2.gz QJBQGEMJNUCEOV-KGLIPLIRSA-N 1 2 307.398 0.919 10 0 DCAELO CCc1nn(C)cc1NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000284851168 415600281 /nfs/dbraw/zinc/60/02/81/415600281.db2.gz QJBQGEMJNUCEOV-KGLIPLIRSA-N 1 2 307.398 0.919 10 0 DCAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1ccc(Cl)c(F)c1 ZINC000122652510 415836501 /nfs/dbraw/zinc/83/65/01/415836501.db2.gz OHCGJBHIVFTLEO-NSHDSACASA-N 1 2 316.760 0.902 10 0 DCAELO Cn1ncc(Br)c1CNC[C@H]1C[N@H+](C)CCO1 ZINC000336697464 415815171 /nfs/dbraw/zinc/81/51/71/415815171.db2.gz IYSMVQJCJCLULN-VIFPVBQESA-N 1 2 303.204 0.603 10 0 DCAELO Cn1ncc(Br)c1CNC[C@H]1C[N@@H+](C)CCO1 ZINC000336697464 415815177 /nfs/dbraw/zinc/81/51/77/415815177.db2.gz IYSMVQJCJCLULN-VIFPVBQESA-N 1 2 303.204 0.603 10 0 DCAELO COc1ccc(CNC(=O)C[N@H+](CC(N)=O)C(C)(C)C)cc1 ZINC000133929453 415951976 /nfs/dbraw/zinc/95/19/76/415951976.db2.gz BBZLNPQGCHFUKD-UHFFFAOYSA-N 1 2 307.394 0.897 10 0 DCAELO COc1ccc(CNC(=O)C[N@@H+](CC(N)=O)C(C)(C)C)cc1 ZINC000133929453 415951982 /nfs/dbraw/zinc/95/19/82/415951982.db2.gz BBZLNPQGCHFUKD-UHFFFAOYSA-N 1 2 307.394 0.897 10 0 DCAELO O=S(=O)(CC1CCOCC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173644943 416061926 /nfs/dbraw/zinc/06/19/26/416061926.db2.gz XFRNONAJPNEZKK-AWEZNQCLSA-N 1 2 318.439 0.149 10 0 DCAELO COCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1nnc2n1CCCC2 ZINC000173626827 416062822 /nfs/dbraw/zinc/06/28/22/416062822.db2.gz VXVIOLQZFXRRNB-NWDGAFQWSA-N 1 2 309.414 0.806 10 0 DCAELO C[N@@H+](CC(N)=O)C[C@@H]1CN(C/C=C\c2ccc(F)cc2)CCO1 ZINC000337884122 416018678 /nfs/dbraw/zinc/01/86/78/416018678.db2.gz UQRAXKPAWVGHKG-RXYHWBRQSA-N 1 2 321.396 0.957 10 0 DCAELO C[N@H+](CC(N)=O)C[C@@H]1CN(C/C=C\c2ccc(F)cc2)CCO1 ZINC000337884122 416018682 /nfs/dbraw/zinc/01/86/82/416018682.db2.gz UQRAXKPAWVGHKG-RXYHWBRQSA-N 1 2 321.396 0.957 10 0 DCAELO CN(CC(N)=O)C[C@@H]1C[N@H+](C/C=C\c2ccc(F)cc2)CCO1 ZINC000337884122 416018687 /nfs/dbraw/zinc/01/86/87/416018687.db2.gz UQRAXKPAWVGHKG-RXYHWBRQSA-N 1 2 321.396 0.957 10 0 DCAELO CN(CC(N)=O)C[C@@H]1C[N@@H+](C/C=C\c2ccc(F)cc2)CCO1 ZINC000337884122 416018690 /nfs/dbraw/zinc/01/86/90/416018690.db2.gz UQRAXKPAWVGHKG-RXYHWBRQSA-N 1 2 321.396 0.957 10 0 DCAELO NC(=O)c1c[nH]c(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000176606006 416129253 /nfs/dbraw/zinc/12/92/53/416129253.db2.gz IQDFIJVLZCGYOF-CYBMUJFWSA-N 1 2 320.393 0.441 10 0 DCAELO CCC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000328845953 416135853 /nfs/dbraw/zinc/13/58/53/416135853.db2.gz AJRGZZYBMKODJU-RBSFLKMASA-N 1 2 323.437 0.709 10 0 DCAELO CCC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000328845953 416135854 /nfs/dbraw/zinc/13/58/54/416135854.db2.gz AJRGZZYBMKODJU-RBSFLKMASA-N 1 2 323.437 0.709 10 0 DCAELO Cc1oc(-c2cnn(C)c2)nc1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000177447226 416146002 /nfs/dbraw/zinc/14/60/02/416146002.db2.gz BIXMCHRLRCYWAD-LBPRGKRZSA-N 1 2 319.365 0.444 10 0 DCAELO Cc1oc(-c2cnn(C)c2)nc1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000177447226 416146004 /nfs/dbraw/zinc/14/60/04/416146004.db2.gz BIXMCHRLRCYWAD-LBPRGKRZSA-N 1 2 319.365 0.444 10 0 DCAELO O=C(CSC[C@@H](O)CO)N1CC[NH+](Cc2ccco2)CC1 ZINC000177444338 416146109 /nfs/dbraw/zinc/14/61/09/416146109.db2.gz MNCJRBSZLWPKBI-LBPRGKRZSA-N 1 2 314.407 0.010 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@@H]2CCOC2)nc[nH+]1 ZINC000179067479 416181476 /nfs/dbraw/zinc/18/14/76/416181476.db2.gz IOCLEDOJNZQUDH-VXGBXAGGSA-N 1 2 320.397 0.575 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@@H]2CCOC2)[nH+]cn1 ZINC000179067479 416181480 /nfs/dbraw/zinc/18/14/80/416181480.db2.gz IOCLEDOJNZQUDH-VXGBXAGGSA-N 1 2 320.397 0.575 10 0 DCAELO COCc1nc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)no1 ZINC000182387230 416221351 /nfs/dbraw/zinc/22/13/51/416221351.db2.gz BZWHBKMBBUUYNJ-LBPRGKRZSA-N 1 2 324.381 0.287 10 0 DCAELO COCc1nc(C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)no1 ZINC000182387230 416221356 /nfs/dbraw/zinc/22/13/56/416221356.db2.gz BZWHBKMBBUUYNJ-LBPRGKRZSA-N 1 2 324.381 0.287 10 0 DCAELO O=C(CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)NCC1CC1 ZINC000183785805 416250203 /nfs/dbraw/zinc/25/02/03/416250203.db2.gz FKQCHUKKXXMRSB-CYBMUJFWSA-N 1 2 305.382 0.583 10 0 DCAELO O=C1c2ccccc2C(=O)N1CC[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185199481 416253427 /nfs/dbraw/zinc/25/34/27/416253427.db2.gz FPDRCCGHSDLUNS-QGZVFWFLSA-N 1 2 316.357 0.774 10 0 DCAELO O=C1c2ccccc2C(=O)N1CC[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185199481 416253431 /nfs/dbraw/zinc/25/34/31/416253431.db2.gz FPDRCCGHSDLUNS-QGZVFWFLSA-N 1 2 316.357 0.774 10 0 DCAELO Cc1cc(F)cc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1 ZINC000190047175 416273909 /nfs/dbraw/zinc/27/39/09/416273909.db2.gz GWIZWMBJFWVNQA-GFCCVEGCSA-N 1 2 323.368 0.598 10 0 DCAELO Cc1cc(F)cc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1 ZINC000190047175 416273912 /nfs/dbraw/zinc/27/39/12/416273912.db2.gz GWIZWMBJFWVNQA-GFCCVEGCSA-N 1 2 323.368 0.598 10 0 DCAELO C[C@H]1CN(C(=O)C(=O)Nc2ccccc2F)CC[N@@H+]1CCO ZINC000190035857 416273920 /nfs/dbraw/zinc/27/39/20/416273920.db2.gz VLQVGRVECWRHBO-NSHDSACASA-N 1 2 309.341 0.289 10 0 DCAELO C[C@H]1CN(C(=O)C(=O)Nc2ccccc2F)CC[N@H+]1CCO ZINC000190035857 416273922 /nfs/dbraw/zinc/27/39/22/416273922.db2.gz VLQVGRVECWRHBO-NSHDSACASA-N 1 2 309.341 0.289 10 0 DCAELO Cc1c(F)cccc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000190037471 416274103 /nfs/dbraw/zinc/27/41/03/416274103.db2.gz SZBGHHBFKCGQPK-LLVKDONJSA-N 1 2 323.368 0.598 10 0 DCAELO Cc1c(F)cccc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000190037471 416274106 /nfs/dbraw/zinc/27/41/06/416274106.db2.gz SZBGHHBFKCGQPK-LLVKDONJSA-N 1 2 323.368 0.598 10 0 DCAELO Cc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1F ZINC000190035895 416274163 /nfs/dbraw/zinc/27/41/63/416274163.db2.gz FOCZJTIJGVNJTO-GFCCVEGCSA-N 1 2 323.368 0.598 10 0 DCAELO Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1F ZINC000190035895 416274168 /nfs/dbraw/zinc/27/41/68/416274168.db2.gz FOCZJTIJGVNJTO-GFCCVEGCSA-N 1 2 323.368 0.598 10 0 DCAELO O=C(C[N@H+]1CCC[C@@H](OCCO)C1)Nc1ccc2c(c1)OCO2 ZINC000360283546 416384317 /nfs/dbraw/zinc/38/43/17/416384317.db2.gz ACJNJIOERWDPFB-CYBMUJFWSA-N 1 2 322.361 0.827 10 0 DCAELO O=C(C[N@@H+]1CCC[C@@H](OCCO)C1)Nc1ccc2c(c1)OCO2 ZINC000360283546 416384318 /nfs/dbraw/zinc/38/43/18/416384318.db2.gz ACJNJIOERWDPFB-CYBMUJFWSA-N 1 2 322.361 0.827 10 0 DCAELO CO[C@H]1C[C@@H](C(=O)Nc2cccnc2N2CCOCC2)[N@H+](C)C1 ZINC000583620232 416480892 /nfs/dbraw/zinc/48/08/92/416480892.db2.gz XYFKWUBNQKZIHT-JSGCOSHPSA-N 1 2 320.393 0.576 10 0 DCAELO CO[C@H]1C[C@@H](C(=O)Nc2cccnc2N2CCOCC2)[N@@H+](C)C1 ZINC000583620232 416480897 /nfs/dbraw/zinc/48/08/97/416480897.db2.gz XYFKWUBNQKZIHT-JSGCOSHPSA-N 1 2 320.393 0.576 10 0 DCAELO O=C1Nc2ccccc2CC[C@@H]1[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000361769979 416494883 /nfs/dbraw/zinc/49/48/83/416494883.db2.gz VEDQSZGRDCTKAF-ZBFHGGJFSA-N 1 2 301.390 0.956 10 0 DCAELO O=C1Nc2ccccc2CC[C@@H]1[N@H+]1CCN2CCOC[C@H]2C1 ZINC000361769979 416494886 /nfs/dbraw/zinc/49/48/86/416494886.db2.gz VEDQSZGRDCTKAF-ZBFHGGJFSA-N 1 2 301.390 0.956 10 0 DCAELO Cc1cc(C(=O)N(C)CCC[NH+](C)C)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000539416977 416580671 /nfs/dbraw/zinc/58/06/71/416580671.db2.gz WWWOLRJLYABYAZ-UHFFFAOYSA-N 1 2 319.365 0.768 10 0 DCAELO Nc1cc([C@H]2C[NH2+]CCN2S(=O)(=O)c2ccccc2)[nH]n1 ZINC000616639441 417088384 /nfs/dbraw/zinc/08/83/84/417088384.db2.gz NNMSECWJYJUFMF-GFCCVEGCSA-N 1 2 307.379 0.327 10 0 DCAELO Cn1c2c([nH+]c1[C@@H]1CCCN1C(=O)CNC(N)=O)CCCC2 ZINC000408038997 417138030 /nfs/dbraw/zinc/13/80/30/417138030.db2.gz QXGYRWNMUYMVTO-LBPRGKRZSA-N 1 2 305.382 0.631 10 0 DCAELO CC(C)N1C(=O)C[N@H+](C[C@@H]2CCS(=O)(=O)C2)CC1(C)C ZINC000408400087 417159255 /nfs/dbraw/zinc/15/92/55/417159255.db2.gz OKEJCDUDZQNLLB-LBPRGKRZSA-N 1 2 302.440 0.752 10 0 DCAELO CC(C)N1C(=O)C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)CC1(C)C ZINC000408400087 417159259 /nfs/dbraw/zinc/15/92/59/417159259.db2.gz OKEJCDUDZQNLLB-LBPRGKRZSA-N 1 2 302.440 0.752 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1nnn(C)n1)C2 ZINC000526030720 417175764 /nfs/dbraw/zinc/17/57/64/417175764.db2.gz CKOMMNUARLXJQF-VIFPVBQESA-N 1 2 303.370 0.478 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1nnn(C)n1)CC2 ZINC000526030720 417175768 /nfs/dbraw/zinc/17/57/68/417175768.db2.gz CKOMMNUARLXJQF-VIFPVBQESA-N 1 2 303.370 0.478 10 0 DCAELO C[NH+](C)CCn1ccc(=NC(=O)N=c2ncn(C(C)(C)C)[nH]2)[nH]1 ZINC000527060139 417208314 /nfs/dbraw/zinc/20/83/14/417208314.db2.gz KPMXVLNMAOAKOD-UHFFFAOYSA-N 1 2 320.401 0.279 10 0 DCAELO CC(C)[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)CCO1 ZINC000576425257 417609114 /nfs/dbraw/zinc/60/91/14/417609114.db2.gz IHDYFPHCLKBPCT-HIFRSBDPSA-N 1 2 323.437 0.613 10 0 DCAELO CC(=O)c1cccc(OCC(=O)NC[C@@H]2COCC[N@H+]2C)c1 ZINC000628927272 417732884 /nfs/dbraw/zinc/73/28/84/417732884.db2.gz ZWDXKKMMRMZQHK-CQSZACIVSA-N 1 2 306.362 0.715 10 0 DCAELO CC(=O)c1cccc(OCC(=O)NC[C@@H]2COCC[N@@H+]2C)c1 ZINC000628927272 417732888 /nfs/dbraw/zinc/73/28/88/417732888.db2.gz ZWDXKKMMRMZQHK-CQSZACIVSA-N 1 2 306.362 0.715 10 0 DCAELO CC(C)n1nnnc1C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000182854243 545906752 /nfs/dbraw/zinc/90/67/52/545906752.db2.gz NTWOIPITBUQHBN-JTQLQIEISA-N 1 2 324.410 0.752 10 0 DCAELO CC(C)Cc1nsc(N(C)C[C@H](O)C[NH+]2CCOCC2)n1 ZINC000185536834 261120389 /nfs/dbraw/zinc/12/03/89/261120389.db2.gz ODCZLIQLYRHLCV-LBPRGKRZSA-N 1 2 314.455 0.866 10 0 DCAELO COC(=O)[C@@H](CC(C)C)[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000411141787 262165159 /nfs/dbraw/zinc/16/51/59/262165159.db2.gz JTEGFKBOQMKICK-GFCCVEGCSA-N 1 2 306.428 0.541 10 0 DCAELO COC(=O)[C@@H](CC(C)C)[N@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000411141787 262165161 /nfs/dbraw/zinc/16/51/61/262165161.db2.gz JTEGFKBOQMKICK-GFCCVEGCSA-N 1 2 306.428 0.541 10 0 DCAELO COC(=O)C(C)(C)N1CCN([C@H](C)C[NH+]2CCOCC2)CC1 ZINC000494457193 272222312 /nfs/dbraw/zinc/22/23/12/272222312.db2.gz YSMZWKDFSYWFBE-CQSZACIVSA-N 1 2 313.442 0.276 10 0 DCAELO COC(=O)C(C)(C)N1CC[NH+]([C@H](C)C(=O)NCC(C)C)CC1 ZINC000494445836 272222637 /nfs/dbraw/zinc/22/26/37/272222637.db2.gz KXWWXLHWBCMTKQ-CYBMUJFWSA-N 1 2 313.442 0.716 10 0 DCAELO CC(C)[C@@H]1N(C(=O)NC[C@H]2C[N@H+](C)CCO2)C[C@]12CCCO2 ZINC000333784165 280047078 /nfs/dbraw/zinc/04/70/78/280047078.db2.gz WBVLDJNJDCDHAL-OFQRWUPVSA-N 1 2 311.426 0.916 10 0 DCAELO CC(C)[C@@H]1N(C(=O)NC[C@H]2C[N@@H+](C)CCO2)C[C@]12CCCO2 ZINC000333784165 280047081 /nfs/dbraw/zinc/04/70/81/280047081.db2.gz WBVLDJNJDCDHAL-OFQRWUPVSA-N 1 2 311.426 0.916 10 0 DCAELO CC(C)[C@H](C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1)N1CCCC1=O ZINC000328889056 280161019 /nfs/dbraw/zinc/16/10/19/280161019.db2.gz QNOMTPNKYNFMDE-SQWLQELKSA-N 1 2 323.437 0.565 10 0 DCAELO CC(C)[C@H](C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1)N1CCCC1=O ZINC000328889056 280161020 /nfs/dbraw/zinc/16/10/20/280161020.db2.gz QNOMTPNKYNFMDE-SQWLQELKSA-N 1 2 323.437 0.565 10 0 DCAELO CC1(C)C[S@](=O)CC[N@@H+]1C[C@H](O)COC[C@H]1CCCO1 ZINC000551985875 288255165 /nfs/dbraw/zinc/25/51/65/288255165.db2.gz ORFHMHVGPFXSRR-MRRFBWAASA-N 1 2 305.440 0.386 10 0 DCAELO CC1(C)C[S@](=O)CC[N@H+]1C[C@H](O)COC[C@H]1CCCO1 ZINC000551985875 288255168 /nfs/dbraw/zinc/25/51/68/288255168.db2.gz ORFHMHVGPFXSRR-MRRFBWAASA-N 1 2 305.440 0.386 10 0 DCAELO CO[C@@H]1CC[C@@H](NC(=O)C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000556654583 288380868 /nfs/dbraw/zinc/38/08/68/288380868.db2.gz IBCMJELEBVQOLE-CHWSQXEVSA-N 1 2 308.382 0.463 10 0 DCAELO Cc1c(CNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)cnn1C ZINC000561017575 288524004 /nfs/dbraw/zinc/52/40/04/288524004.db2.gz XKJUOXIOVMSGAV-UHFFFAOYSA-N 1 2 312.333 0.631 10 0 DCAELO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1CCn2cncc2C1 ZINC000329693058 289047522 /nfs/dbraw/zinc/04/75/22/289047522.db2.gz GZNUQJNAWIFDBX-IJEWVQPXSA-N 1 2 318.421 0.767 10 0 DCAELO C[N@@H+]1CCN(C(=O)[C@@H]2CC23CCS(=O)(=O)CC3)C(C)(C)C1 ZINC000375113780 290018628 /nfs/dbraw/zinc/01/86/28/290018628.db2.gz LGZDJFULYPUEOL-LBPRGKRZSA-N 1 2 314.451 0.754 10 0 DCAELO C[N@H+]1CCN(C(=O)[C@@H]2CC23CCS(=O)(=O)CC3)C(C)(C)C1 ZINC000375113780 290018630 /nfs/dbraw/zinc/01/86/30/290018630.db2.gz LGZDJFULYPUEOL-LBPRGKRZSA-N 1 2 314.451 0.754 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@@H](NC(N)=O)C(C)(C)C)C[C@H]21 ZINC000408019707 290081799 /nfs/dbraw/zinc/08/17/99/290081799.db2.gz AKHDTVUFSGPBOL-IJLUTSLNSA-N 1 2 312.414 0.001 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@@H](NC(N)=O)C(C)(C)C)C[C@H]21 ZINC000408019707 290081803 /nfs/dbraw/zinc/08/18/03/290081803.db2.gz AKHDTVUFSGPBOL-IJLUTSLNSA-N 1 2 312.414 0.001 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(S(=O)(=O)N3CCCCC3)C[C@@H]21 ZINC000328864158 290114993 /nfs/dbraw/zinc/11/49/93/290114993.db2.gz GBHRKHLZUHMSFU-STQMWFEESA-N 1 2 303.428 0.122 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(S(=O)(=O)N3CCCCC3)C[C@@H]21 ZINC000328864158 290114996 /nfs/dbraw/zinc/11/49/96/290114996.db2.gz GBHRKHLZUHMSFU-STQMWFEESA-N 1 2 303.428 0.122 10 0 DCAELO NC(=O)N1CCC[N@@H+]([C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000158085918 303264222 /nfs/dbraw/zinc/26/42/22/303264222.db2.gz PYNNEYGOHJEURK-SNVBAGLBSA-N 1 2 322.331 0.626 10 0 DCAELO NC(=O)N1CCC[N@H+]([C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000158085918 303264225 /nfs/dbraw/zinc/26/42/25/303264225.db2.gz PYNNEYGOHJEURK-SNVBAGLBSA-N 1 2 322.331 0.626 10 0 DCAELO O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N[C@H]1CCC[C@@H]1CCO ZINC000571235118 333687244 /nfs/dbraw/zinc/68/72/44/333687244.db2.gz KNJAGAIGNPKUPZ-YPMHNXCESA-N 1 2 316.361 0.940 10 0 DCAELO O=C(NC[C@@H]1CCCn2cc[nH+]c21)C(=O)N1CCCOCC1 ZINC000583835252 337340601 /nfs/dbraw/zinc/34/06/01/337340601.db2.gz WPCIRUIPKFVIJU-LBPRGKRZSA-N 1 2 306.366 0.126 10 0 DCAELO Cc1cccc(CNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)n1 ZINC000175699045 341842207 /nfs/dbraw/zinc/84/22/07/341842207.db2.gz BIGIWKVOJZDCDK-OAHLLOKOSA-N 1 2 322.409 0.225 10 0 DCAELO CCOCC[N@@H+]1CCN(C(=O)CCCS(C)(=O)=O)C[C@H]1C ZINC000117275611 519913501 /nfs/dbraw/zinc/91/35/01/519913501.db2.gz COSBQOPWJLHHMZ-CYBMUJFWSA-N 1 2 320.455 0.380 10 0 DCAELO CCOCC[N@H+]1CCN(C(=O)CCCS(C)(=O)=O)C[C@H]1C ZINC000117275611 519913503 /nfs/dbraw/zinc/91/35/03/519913503.db2.gz COSBQOPWJLHHMZ-CYBMUJFWSA-N 1 2 320.455 0.380 10 0 DCAELO Cc1nc(N2CCN([C@H](C)C(N)=O)CC2)c2c([nH+]1)CCCC2 ZINC000302121611 534620515 /nfs/dbraw/zinc/62/05/15/534620515.db2.gz YFLHVAUHJBMBDA-LLVKDONJSA-N 1 2 303.410 0.660 10 0 DCAELO CN(C)C(=O)C[NH+](CCc1ccc(F)cc1)CC(=O)N(C)C ZINC000119724863 523986030 /nfs/dbraw/zinc/98/60/30/523986030.db2.gz VBTOYNKJMHUHDU-UHFFFAOYSA-N 1 2 309.385 0.847 10 0 DCAELO CSC[C@@H](CCO)Nc1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000156845620 525644880 /nfs/dbraw/zinc/64/48/80/525644880.db2.gz CMNRZUMIOJFSMY-VXGBXAGGSA-N 1 2 312.439 0.964 10 0 DCAELO CSC[C@@H](CCO)Nc1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000156845620 525644889 /nfs/dbraw/zinc/64/48/89/525644889.db2.gz CMNRZUMIOJFSMY-VXGBXAGGSA-N 1 2 312.439 0.964 10 0 DCAELO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)C[C@H]2CCCCO2)CC1 ZINC000182407662 529229571 /nfs/dbraw/zinc/22/95/71/529229571.db2.gz DUULNWOFCZMFBH-ZIAGYGMSSA-N 1 2 320.455 0.274 10 0 DCAELO Cc1nc2c(cnn2C)c(N2CC[NH+](Cc3cncnc3)CC2)n1 ZINC000121901948 545750320 /nfs/dbraw/zinc/75/03/20/545750320.db2.gz ZVJUVVSUHFVVJR-UHFFFAOYSA-N 1 2 324.392 0.784 10 0 DCAELO O=C(CCC1CCOCC1)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000132974901 545794076 /nfs/dbraw/zinc/79/40/76/545794076.db2.gz GAJYJLOIEMLFKN-CQSZACIVSA-N 1 2 300.399 0.003 10 0 DCAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)Nc1cnn(CC2CC2)c1 ZINC000179886337 545899946 /nfs/dbraw/zinc/89/99/46/545899946.db2.gz HVAVYRJOGYISKZ-AWEZNQCLSA-N 1 2 323.397 0.108 10 0 DCAELO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2cncnc2)CC1 ZINC000180175866 545901071 /nfs/dbraw/zinc/90/10/71/545901071.db2.gz UQUBLVNNEWLLAV-AWEZNQCLSA-N 1 2 303.410 0.605 10 0 DCAELO C[C@H](NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1)[C@H]1CCCOC1 ZINC000332763926 546059454 /nfs/dbraw/zinc/05/94/54/546059454.db2.gz ZKWNLQFYHSFPFQ-AJNGGQMLSA-N 1 2 311.426 0.916 10 0 DCAELO C[C@H](NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1)[C@H]1CCCOC1 ZINC000332763926 546059457 /nfs/dbraw/zinc/05/94/57/546059457.db2.gz ZKWNLQFYHSFPFQ-AJNGGQMLSA-N 1 2 311.426 0.916 10 0 DCAELO C[C@@H](Cn1cccn1)NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000332910586 546065978 /nfs/dbraw/zinc/06/59/78/546065978.db2.gz WWMPKDUEIFVXMO-KBPBESRZSA-N 1 2 307.398 0.388 10 0 DCAELO O=C(NC[C@H]1CCCC[C@H]1O)NCC1([NH+]2CCOCC2)CC1 ZINC000333181512 546073686 /nfs/dbraw/zinc/07/36/86/546073686.db2.gz SMCVNMDXGMOBDD-ZIAGYGMSSA-N 1 2 311.426 0.702 10 0 DCAELO CO[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000347593936 546151557 /nfs/dbraw/zinc/15/15/57/546151557.db2.gz ARSOXWRYNIRJQA-ZIAGYGMSSA-N 1 2 309.410 0.367 10 0 DCAELO O=S1(=O)CCC[C@H]([NH2+]Cc2cnn(-c3ccccc3)n2)C1 ZINC000069140568 657555126 /nfs/dbraw/zinc/55/51/26/657555126.db2.gz FIYJQOJDZXFYEY-LBPRGKRZSA-N 1 2 306.391 0.934 10 0 DCAELO Cc1nc(C[C@@H]2CCC[N@@H+](CN3CC(=O)N(C)C3=O)C2)no1 ZINC000182278046 665764076 /nfs/dbraw/zinc/76/40/76/665764076.db2.gz LVAPUQXKRZJJFN-NSHDSACASA-N 1 2 307.354 0.484 10 0 DCAELO Cc1nc(C[C@@H]2CCC[N@H+](CN3CC(=O)N(C)C3=O)C2)no1 ZINC000182278046 665764078 /nfs/dbraw/zinc/76/40/78/665764078.db2.gz LVAPUQXKRZJJFN-NSHDSACASA-N 1 2 307.354 0.484 10 0 DCAELO CC(C)S(=O)(=O)NCC1(C[NH+]2CCOCC2)CCOCC1 ZINC000223620558 664417980 /nfs/dbraw/zinc/41/79/80/664417980.db2.gz FCHPTCLYLMMGAC-UHFFFAOYSA-N 1 2 320.455 0.443 10 0 DCAELO C[C@H](O)[C@H](O)C[NH2+]Cc1c(Cl)cccc1S(C)(=O)=O ZINC000717319357 667556488 /nfs/dbraw/zinc/55/64/88/667556488.db2.gz CMYQZBCIVSBEDL-GZMMTYOYSA-N 1 2 307.799 0.575 10 0 DCAELO CCCn1cc([C@@H](C)[NH2+][C@H]2CCN(S(C)(=O)=O)C2)nn1 ZINC000715917866 670225880 /nfs/dbraw/zinc/22/58/80/670225880.db2.gz BZCRROLROYFYBB-MNOVXSKESA-N 1 2 301.416 0.373 10 0 DCAELO Cn1nncc1C[N@@H+]1CCC[C@](O)(Cc2nc(C3CC3)no2)C1 ZINC000818189647 670986641 /nfs/dbraw/zinc/98/66/41/670986641.db2.gz VOVXSGPIAPQOIZ-HNNXBMFYSA-N 1 2 318.381 0.645 10 0 DCAELO Cn1nncc1C[N@H+]1CCC[C@](O)(Cc2nc(C3CC3)no2)C1 ZINC000818189647 670986645 /nfs/dbraw/zinc/98/66/45/670986645.db2.gz VOVXSGPIAPQOIZ-HNNXBMFYSA-N 1 2 318.381 0.645 10 0 DCAELO Cc1n[nH]cc1S(=O)(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000720485506 685313673 /nfs/dbraw/zinc/31/36/73/685313673.db2.gz VNOJSRLWNKTLHO-WDEREUQCSA-N 1 2 316.452 0.576 10 0 DCAELO Cc1n[nH]cc1S(=O)(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000720485506 685313677 /nfs/dbraw/zinc/31/36/77/685313677.db2.gz VNOJSRLWNKTLHO-WDEREUQCSA-N 1 2 316.452 0.576 10 0 DCAELO Cn1c[nH+]c(CCNC(=O)CN2C(=O)c3ccccc3C2=O)c1 ZINC000170193940 1183645479 /nfs/dbraw/zinc/64/54/79/1183645479.db2.gz AJCZTJJSHYOLAI-UHFFFAOYSA-N 1 2 312.329 0.375 10 0 DCAELO COC(C)(C)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000171938497 1183793424 /nfs/dbraw/zinc/79/34/24/1183793424.db2.gz SBCJYOBLNANAAK-UHFFFAOYSA-N 1 2 306.428 0.037 10 0 DCAELO C[C@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)CN(C(=O)OC(C)(C)C)C1 ZINC000401679618 774062437 /nfs/dbraw/zinc/06/24/37/774062437.db2.gz QNFHFOPVVGSNFD-WDEREUQCSA-N 1 2 310.402 0.945 10 0 DCAELO C[C@H](C(=O)NCCCOCc1ccccc1)N1CC[NH2+]CC1=O ZINC000706586437 939180022 /nfs/dbraw/zinc/18/00/22/939180022.db2.gz OBDIYWGBWSXRBR-CQSZACIVSA-N 1 2 319.405 0.530 10 0 DCAELO CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)[C@@H]1COCC[NH2+]1 ZINC000155452842 282356686 /nfs/dbraw/zinc/35/66/86/282356686.db2.gz OGHVOAHMPNRFHA-LBPRGKRZSA-N 1 2 313.304 0.350 10 0 DCAELO COc1ccnc(N2CCN(CCC[NH+]3CCOCC3)CC2)n1 ZINC000172723610 198141499 /nfs/dbraw/zinc/14/14/99/198141499.db2.gz TZQCUNWRFJRDJJ-UHFFFAOYSA-N 1 2 321.425 0.330 10 0 DCAELO Cn1ncc2c1C[C@H](C(=O)N1CC[C@H]([NH+]3CCOCC3)C1)CC2 ZINC000328817771 282841066 /nfs/dbraw/zinc/84/10/66/282841066.db2.gz OBKWCRPPYOOMBX-HIFRSBDPSA-N 1 2 318.421 0.458 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)NCC(C)(C)O)nc[nH+]1 ZINC000173427656 198213551 /nfs/dbraw/zinc/21/35/51/198213551.db2.gz DGTNMYYMFACQEP-LLVKDONJSA-N 1 2 322.413 0.557 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)NCC(C)(C)O)[nH+]cn1 ZINC000173427656 198213553 /nfs/dbraw/zinc/21/35/53/198213553.db2.gz DGTNMYYMFACQEP-LLVKDONJSA-N 1 2 322.413 0.557 10 0 DCAELO CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000081050610 192221158 /nfs/dbraw/zinc/22/11/58/192221158.db2.gz YCNGXNSPWHVFIT-LLVKDONJSA-N 1 2 311.304 0.467 10 0 DCAELO CC(C)CNC(=O)NC(=O)C[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000081050610 192221162 /nfs/dbraw/zinc/22/11/62/192221162.db2.gz YCNGXNSPWHVFIT-LLVKDONJSA-N 1 2 311.304 0.467 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)Cc2ccccc2F)CC[N@@H+]1CCO ZINC000188719463 200293161 /nfs/dbraw/zinc/29/31/61/200293161.db2.gz FDNLOJYIRSQVNF-GFCCVEGCSA-N 1 2 316.398 0.654 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)Cc2ccccc2F)CC[N@H+]1CCO ZINC000188719463 200293163 /nfs/dbraw/zinc/29/31/63/200293163.db2.gz FDNLOJYIRSQVNF-GFCCVEGCSA-N 1 2 316.398 0.654 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2)CC[N@@H+]1CCO ZINC000188729031 200296206 /nfs/dbraw/zinc/29/62/06/200296206.db2.gz KKCGXHPQOWPCQV-LLVKDONJSA-N 1 2 302.371 0.513 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2)CC[N@H+]1CCO ZINC000188729031 200296207 /nfs/dbraw/zinc/29/62/07/200296207.db2.gz KKCGXHPQOWPCQV-LLVKDONJSA-N 1 2 302.371 0.513 10 0 DCAELO CCS(=O)(=O)NCC[N@@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000246694280 238160434 /nfs/dbraw/zinc/16/04/34/238160434.db2.gz MYOHLLWHGFNYPE-JHJVBQTASA-N 1 2 306.428 0.194 10 0 DCAELO CCS(=O)(=O)NCC[N@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000246694280 238160436 /nfs/dbraw/zinc/16/04/36/238160436.db2.gz MYOHLLWHGFNYPE-JHJVBQTASA-N 1 2 306.428 0.194 10 0 DCAELO COC(=O)[C@@H]1CCC[C@H](C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)C1 ZINC000408022178 291387309 /nfs/dbraw/zinc/38/73/09/291387309.db2.gz RQEOFMHXKBDCDF-LJISPDSOSA-N 1 2 324.421 0.897 10 0 DCAELO COC(=O)[C@@H]1CCC[C@H](C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)C1 ZINC000408022178 291387312 /nfs/dbraw/zinc/38/73/12/291387312.db2.gz RQEOFMHXKBDCDF-LJISPDSOSA-N 1 2 324.421 0.897 10 0 DCAELO COC(=O)[C@@H]1CC12CCN(C(=O)[C@@H](C)[NH+]1CCOCC1)CC2 ZINC000408158895 283976998 /nfs/dbraw/zinc/97/69/98/283976998.db2.gz PBZABIFASHLKAT-OLZOCXBDSA-N 1 2 310.394 0.509 10 0 DCAELO COc1ccc(C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)cc1O ZINC000093531042 193264634 /nfs/dbraw/zinc/26/46/34/193264634.db2.gz XVVBUIXTHFUOGN-LLVKDONJSA-N 1 2 300.380 0.524 10 0 DCAELO COc1ccc(C[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)cc1O ZINC000093531042 193264635 /nfs/dbraw/zinc/26/46/35/193264635.db2.gz XVVBUIXTHFUOGN-LLVKDONJSA-N 1 2 300.380 0.524 10 0 DCAELO Cc1ncc(C[NH+]2CCN(CCN3C(=O)CNC3=O)CC2)s1 ZINC000105814304 194134981 /nfs/dbraw/zinc/13/49/81/194134981.db2.gz NSBGUMPMVMLXDY-UHFFFAOYSA-N 1 2 323.422 0.121 10 0 DCAELO Cc1ncc(CN2CC[NH+](CCN3C(=O)CNC3=O)CC2)s1 ZINC000105814304 194134982 /nfs/dbraw/zinc/13/49/82/194134982.db2.gz NSBGUMPMVMLXDY-UHFFFAOYSA-N 1 2 323.422 0.121 10 0 DCAELO CCOCC[N@@H+]1CCN(CCCS(C)(=O)=O)C[C@H]1CC ZINC000105838642 194144742 /nfs/dbraw/zinc/14/47/42/194144742.db2.gz YCXCPFUUEOXLCK-CQSZACIVSA-N 1 2 306.472 0.854 10 0 DCAELO CCOCC[N@H+]1CCN(CCCS(C)(=O)=O)C[C@H]1CC ZINC000105838642 194144744 /nfs/dbraw/zinc/14/47/44/194144744.db2.gz YCXCPFUUEOXLCK-CQSZACIVSA-N 1 2 306.472 0.854 10 0 DCAELO CCOCCN1CC[N@H+](CCCS(C)(=O)=O)C[C@H]1CC ZINC000105838642 194144746 /nfs/dbraw/zinc/14/47/46/194144746.db2.gz YCXCPFUUEOXLCK-CQSZACIVSA-N 1 2 306.472 0.854 10 0 DCAELO CCOCCN1CC[N@@H+](CCCS(C)(=O)=O)C[C@H]1CC ZINC000105838642 194144747 /nfs/dbraw/zinc/14/47/47/194144747.db2.gz YCXCPFUUEOXLCK-CQSZACIVSA-N 1 2 306.472 0.854 10 0 DCAELO COC(=O)C1CCC(C(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000341525678 253390447 /nfs/dbraw/zinc/39/04/47/253390447.db2.gz MFIURNYDIYJZCX-HOAMVYINSA-N 1 2 310.394 0.507 10 0 DCAELO COC(=O)C1CCC(C(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000341525678 253390449 /nfs/dbraw/zinc/39/04/49/253390449.db2.gz MFIURNYDIYJZCX-HOAMVYINSA-N 1 2 310.394 0.507 10 0 DCAELO O=C(C[N@H+]1C[C@@H](F)C[C@H]1CO)NCCOc1cccc(F)c1 ZINC000346361515 254041727 /nfs/dbraw/zinc/04/17/27/254041727.db2.gz DDVJWOUPSLEBTC-STQMWFEESA-N 1 2 314.332 0.725 10 0 DCAELO O=C(C[N@@H+]1C[C@@H](F)C[C@H]1CO)NCCOc1cccc(F)c1 ZINC000346361515 254041728 /nfs/dbraw/zinc/04/17/28/254041728.db2.gz DDVJWOUPSLEBTC-STQMWFEESA-N 1 2 314.332 0.725 10 0 DCAELO CS(=O)(=O)N1Cc2c[nH+]cn2[C@H](C(=O)NCc2ccco2)C1 ZINC000247563539 257119242 /nfs/dbraw/zinc/11/92/42/257119242.db2.gz ZNBVXJMFLYMCFB-LBPRGKRZSA-N 1 2 324.362 0.109 10 0 DCAELO CN(CC[NH+]1CCOCC1)C(=O)c1cn(C)nc1[C@@H]1CCOC1 ZINC000275438319 130321387 /nfs/dbraw/zinc/32/13/87/130321387.db2.gz FQHMOLHZYAUWLU-CYBMUJFWSA-N 1 2 322.409 0.328 10 0 DCAELO Cc1ccn2ncc(C(=O)N3CC[C@H]4OCC[N@@H+](C)[C@@H]4C3)c2n1 ZINC000284465323 131083325 /nfs/dbraw/zinc/08/33/25/131083325.db2.gz LPFZLAVHWIVZAP-ZIAGYGMSSA-N 1 2 315.377 0.583 10 0 DCAELO Cc1ccn2ncc(C(=O)N3CC[C@H]4OCC[N@H+](C)[C@@H]4C3)c2n1 ZINC000284465323 131083327 /nfs/dbraw/zinc/08/33/27/131083327.db2.gz LPFZLAVHWIVZAP-ZIAGYGMSSA-N 1 2 315.377 0.583 10 0 DCAELO Cc1c[nH+]c(N[C@H]2CCN(C)C2=O)nc1N[C@H]1CCN(C)C1=O ZINC000085687779 395701334 /nfs/dbraw/zinc/70/13/34/395701334.db2.gz CSJNADXKGUXYNO-QWRGUYRKSA-N 1 2 318.381 0.070 10 0 DCAELO COC(=O)c1c(C)oc(C)c1S(=O)(=O)NCc1c[nH+]c[nH]1 ZINC000088759623 395707820 /nfs/dbraw/zinc/70/78/20/395707820.db2.gz VAONPFWMPMVOGS-UHFFFAOYSA-N 1 2 313.335 0.885 10 0 DCAELO COC(=O)c1c(C)oc(C)c1S(=O)(=O)NCc1c[nH]c[nH+]1 ZINC000088759623 395707821 /nfs/dbraw/zinc/70/78/21/395707821.db2.gz VAONPFWMPMVOGS-UHFFFAOYSA-N 1 2 313.335 0.885 10 0 DCAELO CC(=O)c1cc(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)ccc1C ZINC000193786472 395778906 /nfs/dbraw/zinc/77/89/06/395778906.db2.gz UGGCIXKWKROLFN-OAHLLOKOSA-N 1 2 320.389 0.621 10 0 DCAELO CCOC(=O)CN(C)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000194734845 395805391 /nfs/dbraw/zinc/80/53/91/395805391.db2.gz PFYOMOXQAPIKRJ-UHFFFAOYSA-N 1 2 322.409 0.654 10 0 DCAELO NS(=O)(=O)NC[C@@H]1CCCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000112555296 395819583 /nfs/dbraw/zinc/81/95/83/395819583.db2.gz PWYGCCPRFPFIDY-JTQLQIEISA-N 1 2 311.411 0.364 10 0 DCAELO O=C(N[C@H]1CCc2ncnn2C1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000112647159 395820310 /nfs/dbraw/zinc/82/03/10/395820310.db2.gz HFIXQZXAAMBUSQ-LBPRGKRZSA-N 1 2 309.333 0.604 10 0 DCAELO CCc1ccccc1NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000118115943 395860554 /nfs/dbraw/zinc/86/05/54/395860554.db2.gz YAMWYMJLUSKYCU-ZDUSSCGKSA-N 1 2 305.378 0.634 10 0 DCAELO CCc1ccccc1NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000118115943 395860556 /nfs/dbraw/zinc/86/05/56/395860556.db2.gz YAMWYMJLUSKYCU-ZDUSSCGKSA-N 1 2 305.378 0.634 10 0 DCAELO CS(=O)(=O)N[C@H]1CC[N@H+](C[C@H](O)c2ccc(F)cc2F)C1 ZINC000116892081 395848790 /nfs/dbraw/zinc/84/87/90/395848790.db2.gz VOERAMHDFJEOFL-GWCFXTLKSA-N 1 2 320.361 0.622 10 0 DCAELO CS(=O)(=O)N[C@H]1CC[N@@H+](C[C@H](O)c2ccc(F)cc2F)C1 ZINC000116892081 395848792 /nfs/dbraw/zinc/84/87/92/395848792.db2.gz VOERAMHDFJEOFL-GWCFXTLKSA-N 1 2 320.361 0.622 10 0 DCAELO COCCCS(=O)(=O)NCC[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000245477150 395930623 /nfs/dbraw/zinc/93/06/23/395930623.db2.gz UEWSLZMAROLWKA-ZIAGYGMSSA-N 1 2 320.455 0.586 10 0 DCAELO COCCCS(=O)(=O)NCC[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000245477150 395930626 /nfs/dbraw/zinc/93/06/26/395930626.db2.gz UEWSLZMAROLWKA-ZIAGYGMSSA-N 1 2 320.455 0.586 10 0 DCAELO NC(=O)c1cccc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)c1 ZINC000129582534 395920551 /nfs/dbraw/zinc/92/05/51/395920551.db2.gz VYVXURAOAVEZMA-UHFFFAOYSA-N 1 2 316.361 0.031 10 0 DCAELO C[C@@H](CNC(=O)c1cccc(-n2ccnn2)c1)[NH+]1CCOCC1 ZINC000119043867 395866174 /nfs/dbraw/zinc/86/61/74/395866174.db2.gz UFMYIAWSVXDHRJ-ZDUSSCGKSA-N 1 2 315.377 0.718 10 0 DCAELO CN(C)c1cccc(CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)n1 ZINC000119167487 395868303 /nfs/dbraw/zinc/86/83/03/395868303.db2.gz YCQRTJAMMKMARH-CYBMUJFWSA-N 1 2 307.398 0.277 10 0 DCAELO CN(C)c1cccc(CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000119167487 395868305 /nfs/dbraw/zinc/86/83/05/395868305.db2.gz YCQRTJAMMKMARH-CYBMUJFWSA-N 1 2 307.398 0.277 10 0 DCAELO C[NH+](C)C[C@H]1CN(CC(=O)NOCc2ccccc2)CCO1 ZINC000119410647 395870592 /nfs/dbraw/zinc/87/05/92/395870592.db2.gz IPKQBRODHBHSJH-HNNXBMFYSA-N 1 2 307.394 0.497 10 0 DCAELO OC[C@@H]1CCCN1c1cc(N[C@H]2CCc3ncnn3C2)[nH+]cn1 ZINC000246270939 395945757 /nfs/dbraw/zinc/94/57/57/395945757.db2.gz QPWOAWZISAJEMJ-RYUDHWBXSA-N 1 2 315.381 0.456 10 0 DCAELO OC[C@@H]1CCCN1c1cc(N[C@H]2CCc3ncnn3C2)nc[nH+]1 ZINC000246270939 395945761 /nfs/dbraw/zinc/94/57/61/395945761.db2.gz QPWOAWZISAJEMJ-RYUDHWBXSA-N 1 2 315.381 0.456 10 0 DCAELO COCCCNC(=O)C[N@@H+]1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000246493348 395951569 /nfs/dbraw/zinc/95/15/69/395951569.db2.gz KAHRBKNXBBODGT-MELADBBJSA-N 1 2 300.399 0.407 10 0 DCAELO COCCCNC(=O)C[N@H+]1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000246493348 395951572 /nfs/dbraw/zinc/95/15/72/395951572.db2.gz KAHRBKNXBBODGT-MELADBBJSA-N 1 2 300.399 0.407 10 0 DCAELO C[C@@H]1CN(CC(=O)NCc2ccco2)C[C@H]1[NH+]1CCOCC1 ZINC000246564468 395952863 /nfs/dbraw/zinc/95/28/63/395952863.db2.gz VDDDHQAZAZUPLC-UKRRQHHQSA-N 1 2 307.394 0.548 10 0 DCAELO CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2nccc(OC)n2)CC1 ZINC000140241754 395956102 /nfs/dbraw/zinc/95/61/02/395956102.db2.gz WLIDLURNPWNGGU-STQMWFEESA-N 1 2 321.425 0.910 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H](CCO)c2ccccc2)C1 ZINC000246903492 395961019 /nfs/dbraw/zinc/96/10/19/395961019.db2.gz HDNNRNMAKFMLIK-JKSUJKDBSA-N 1 2 321.421 0.782 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)NC[C@H](CCO)c2ccccc2)C1 ZINC000246903492 395961021 /nfs/dbraw/zinc/96/10/21/395961021.db2.gz HDNNRNMAKFMLIK-JKSUJKDBSA-N 1 2 321.421 0.782 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCN(c3cccs3)CC2)C1 ZINC000150729964 395972044 /nfs/dbraw/zinc/97/20/44/395972044.db2.gz GFDIRUWECUSGCC-ZDUSSCGKSA-N 1 2 324.450 0.910 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)N2CCN(c3cccs3)CC2)C1 ZINC000150729964 395972046 /nfs/dbraw/zinc/97/20/46/395972046.db2.gz GFDIRUWECUSGCC-ZDUSSCGKSA-N 1 2 324.450 0.910 10 0 DCAELO C[C@H]1CCN(S(=O)(=O)c2cnn(C)c2)C[C@H]1n1cc[nH+]c1 ZINC000247641944 395977380 /nfs/dbraw/zinc/97/73/80/395977380.db2.gz OOHUZZXMWWGRKO-WCQYABFASA-N 1 2 309.395 0.888 10 0 DCAELO CCS(=O)(=O)CC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248122525 395982208 /nfs/dbraw/zinc/98/22/08/395982208.db2.gz UOONLEJZGFUWFR-ZFWWWQNUSA-N 1 2 310.419 0.983 10 0 DCAELO CCS(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000248122525 395982212 /nfs/dbraw/zinc/98/22/12/395982212.db2.gz UOONLEJZGFUWFR-ZFWWWQNUSA-N 1 2 310.419 0.983 10 0 DCAELO C[C@]1(C(N)=O)CCCC[N@@H+]1CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000248572517 395989854 /nfs/dbraw/zinc/98/98/54/395989854.db2.gz GLICCVHSGHTYJZ-JKIFEVAISA-N 1 2 323.437 0.886 10 0 DCAELO C[C@]1(C(N)=O)CCCC[N@H+]1CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000248572517 395989859 /nfs/dbraw/zinc/98/98/59/395989859.db2.gz GLICCVHSGHTYJZ-JKIFEVAISA-N 1 2 323.437 0.886 10 0 DCAELO CN(C)c1ccc(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000154113620 396031369 /nfs/dbraw/zinc/03/13/69/396031369.db2.gz WYWSIYCEWQSFKM-OAHLLOKOSA-N 1 2 307.394 0.176 10 0 DCAELO Cn1cc(C(N)=O)cc1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000154137127 396031987 /nfs/dbraw/zinc/03/19/87/396031987.db2.gz JCITYZLOXFDBKV-UHFFFAOYSA-N 1 2 324.344 0.635 10 0 DCAELO O=C(N[C@@H]1CCN(Cc2ccccc2)C1=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000261856624 396072666 /nfs/dbraw/zinc/07/26/66/396072666.db2.gz ABACTNGNANVSDR-CHWSQXEVSA-N 1 2 323.343 0.901 10 0 DCAELO Cc1cnn(C[C@H]2C[N@H+](CCN3CCO[C@@H](C)C3)CCO2)c1 ZINC000249107468 396003001 /nfs/dbraw/zinc/00/30/01/396003001.db2.gz XHTOEYKDQHNUBR-JKSUJKDBSA-N 1 2 308.426 0.613 10 0 DCAELO Cc1cnn(C[C@H]2C[N@@H+](CCN3CCO[C@@H](C)C3)CCO2)c1 ZINC000249107468 396003005 /nfs/dbraw/zinc/00/30/05/396003005.db2.gz XHTOEYKDQHNUBR-JKSUJKDBSA-N 1 2 308.426 0.613 10 0 DCAELO CN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000276570613 396010969 /nfs/dbraw/zinc/01/09/69/396010969.db2.gz DTQJCVWOMPWJEF-JKSUJKDBSA-N 1 2 319.405 0.950 10 0 DCAELO C[NH+]1CCN(c2nsc(I)n2)CC1 ZINC000166084939 396088448 /nfs/dbraw/zinc/08/84/48/396088448.db2.gz UOTDGDFNNSCWKA-UHFFFAOYSA-N 1 2 310.164 0.895 10 0 DCAELO Cc1cccc(-n2cc(C(=O)NC[C@H]3C[N@H+](C)CCO3)nn2)c1 ZINC000171286946 396112918 /nfs/dbraw/zinc/11/29/18/396112918.db2.gz LHHMUUOCRGTEMN-AWEZNQCLSA-N 1 2 315.377 0.636 10 0 DCAELO Cc1cccc(-n2cc(C(=O)NC[C@H]3C[N@@H+](C)CCO3)nn2)c1 ZINC000171286946 396112921 /nfs/dbraw/zinc/11/29/21/396112921.db2.gz LHHMUUOCRGTEMN-AWEZNQCLSA-N 1 2 315.377 0.636 10 0 DCAELO CC(=O)Nc1ccc(F)c(C(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000171286309 396113101 /nfs/dbraw/zinc/11/31/01/396113101.db2.gz ZNLGKCGXIFIUAS-LBPRGKRZSA-N 1 2 309.341 0.845 10 0 DCAELO CC(=O)Nc1ccc(F)c(C(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000171286309 396113103 /nfs/dbraw/zinc/11/31/03/396113103.db2.gz ZNLGKCGXIFIUAS-LBPRGKRZSA-N 1 2 309.341 0.845 10 0 DCAELO CN(C)C(=O)CC1CCN(c2nc3c(cnn3C)c(N)[nH+]2)CC1 ZINC000278436668 396124872 /nfs/dbraw/zinc/12/48/72/396124872.db2.gz QCXHCOCVOSLAET-UHFFFAOYSA-N 1 2 317.397 0.640 10 0 DCAELO O=S(=O)(N1CC[C@H]([NH+]2CCOCC2)C1)N1CCCCCC1 ZINC000173998075 396137028 /nfs/dbraw/zinc/13/70/28/396137028.db2.gz DLRMQHARULTKPS-AWEZNQCLSA-N 1 2 317.455 0.514 10 0 DCAELO O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCC(Nc2cccnn2)CC1 ZINC000263245875 396208387 /nfs/dbraw/zinc/20/83/87/396208387.db2.gz PHGGXUAOOAQJKU-NSHDSACASA-N 1 2 311.336 0.877 10 0 DCAELO O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263285495 396210945 /nfs/dbraw/zinc/21/09/45/396210945.db2.gz UZCXCUPYGSAVMU-BQBZGAKWSA-N 1 2 315.242 0.263 10 0 DCAELO O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCN(CC(F)(F)F)CC1 ZINC000262733026 396176663 /nfs/dbraw/zinc/17/66/63/396176663.db2.gz BUPJFTQVSRXNLV-QMMMGPOBSA-N 1 2 301.259 0.690 10 0 DCAELO O=C(CCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)NC1CCCCC1 ZINC000263009428 396198032 /nfs/dbraw/zinc/19/80/32/396198032.db2.gz PNVVBQBNZJEWJE-NSHDSACASA-N 1 2 303.353 0.939 10 0 DCAELO O=C(CCN1C(=O)CCC1=O)NCc1cn2c([nH+]1)CCCC2 ZINC000263876466 396238937 /nfs/dbraw/zinc/23/89/37/396238937.db2.gz VKVBIDSGDOLXLP-UHFFFAOYSA-N 1 2 304.350 0.375 10 0 DCAELO C[C@H]1C[N@H+](C[C@H](O)COC(C)(C)C)CCN1S(C)(=O)=O ZINC000181600055 396240507 /nfs/dbraw/zinc/24/05/07/396240507.db2.gz QRJMHDCVGPRCSV-RYUDHWBXSA-N 1 2 308.444 0.128 10 0 DCAELO C[C@H]1C[N@@H+](C[C@H](O)COC(C)(C)C)CCN1S(C)(=O)=O ZINC000181600055 396240509 /nfs/dbraw/zinc/24/05/09/396240509.db2.gz QRJMHDCVGPRCSV-RYUDHWBXSA-N 1 2 308.444 0.128 10 0 DCAELO C[C@@H]1CCNC(=O)[C@@H]1NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000281959916 396252097 /nfs/dbraw/zinc/25/20/97/396252097.db2.gz VBGYXXSTABVFML-ZWNOBZJWSA-N 1 2 305.382 0.543 10 0 DCAELO CC1(C)C[N@H+](CCNC(=O)NCCCn2ccnn2)CCO1 ZINC000182861854 396256037 /nfs/dbraw/zinc/25/60/37/396256037.db2.gz SLZPHQZEKMPHEH-UHFFFAOYSA-N 1 2 310.402 0.078 10 0 DCAELO CC1(C)C[N@@H+](CCNC(=O)NCCCn2ccnn2)CCO1 ZINC000182861854 396256041 /nfs/dbraw/zinc/25/60/41/396256041.db2.gz SLZPHQZEKMPHEH-UHFFFAOYSA-N 1 2 310.402 0.078 10 0 DCAELO Cc1cnn(C[C@@H]2CN(C(=O)[C@@H]3CC(F)(F)C[NH2+]3)CCO2)c1 ZINC000263317305 396213885 /nfs/dbraw/zinc/21/38/85/396213885.db2.gz ZRLYHOSJCJPIDC-RYUDHWBXSA-N 1 2 314.336 0.416 10 0 DCAELO CC[C@H](CO)[NH+]1CCN(C(=O)CSc2n[nH]c(C)n2)CC1 ZINC000179405818 396226566 /nfs/dbraw/zinc/22/65/66/396226566.db2.gz IUCYWOCIJBOIGS-LLVKDONJSA-N 1 2 313.427 0.120 10 0 DCAELO CC[C@H](CO)[NH+]1CCN(C(=O)CSc2nnc(C)[nH]2)CC1 ZINC000179405818 396226569 /nfs/dbraw/zinc/22/65/69/396226569.db2.gz IUCYWOCIJBOIGS-LLVKDONJSA-N 1 2 313.427 0.120 10 0 DCAELO O=C(C[N@H+]1C[C@H](O)C[C@@H]1CO)Nc1ccc(OC(F)F)cc1 ZINC000185186234 396321200 /nfs/dbraw/zinc/32/12/00/396321200.db2.gz HUNZYMRZXCCGMX-GHMZBOCLSA-N 1 2 316.304 0.654 10 0 DCAELO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1CO)Nc1ccc(OC(F)F)cc1 ZINC000185186234 396321201 /nfs/dbraw/zinc/32/12/01/396321201.db2.gz HUNZYMRZXCCGMX-GHMZBOCLSA-N 1 2 316.304 0.654 10 0 DCAELO CNC(=O)CC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000185182055 396321235 /nfs/dbraw/zinc/32/12/35/396321235.db2.gz BNAYQZMQXLBJCC-CQSZACIVSA-N 1 2 304.325 0.901 10 0 DCAELO C[C@@H]([NH2+]CC(=O)NC(N)=O)c1nc(Cc2ccccc2)no1 ZINC000185391711 396326545 /nfs/dbraw/zinc/32/65/45/396326545.db2.gz KEGVYBBUQCCMHX-SECBINFHSA-N 1 2 303.322 0.506 10 0 DCAELO COCC[N@@H+]1CCN(S(=O)(=O)c2ccc(N)cc2)C[C@H]1C ZINC000186016736 396339473 /nfs/dbraw/zinc/33/94/73/396339473.db2.gz IUXZSYURFNXIPE-GFCCVEGCSA-N 1 2 313.423 0.610 10 0 DCAELO COCC[N@H+]1CCN(S(=O)(=O)c2ccc(N)cc2)C[C@H]1C ZINC000186016736 396339476 /nfs/dbraw/zinc/33/94/76/396339476.db2.gz IUXZSYURFNXIPE-GFCCVEGCSA-N 1 2 313.423 0.610 10 0 DCAELO CN1C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCc4ccccc43)CC[C@@H]21 ZINC000285813324 396355695 /nfs/dbraw/zinc/35/56/95/396355695.db2.gz DVIXXIMLXJPUCR-HIFRSBDPSA-N 1 2 314.389 0.674 10 0 DCAELO CN1C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCc4ccccc43)CC[C@@H]21 ZINC000285813324 396355698 /nfs/dbraw/zinc/35/56/98/396355698.db2.gz DVIXXIMLXJPUCR-HIFRSBDPSA-N 1 2 314.389 0.674 10 0 DCAELO COC(=O)[C@H]1C[C@@H]1C(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186445068 396350189 /nfs/dbraw/zinc/35/01/89/396350189.db2.gz IXHGSMYVYRARQH-STQMWFEESA-N 1 2 303.362 0.929 10 0 DCAELO CC(=O)NC1CN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000190288879 396404209 /nfs/dbraw/zinc/40/42/09/396404209.db2.gz DVAAQVXFFXCMRZ-LBPRGKRZSA-N 1 2 303.366 0.190 10 0 DCAELO O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@H]1CCCc2c(O)cccc21 ZINC000190799966 396411870 /nfs/dbraw/zinc/41/18/70/396411870.db2.gz VZWOAYPPFFDCMB-CJNGLKHVSA-N 1 2 315.417 0.928 10 0 DCAELO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1nnnn1CC(F)(F)F ZINC000190863048 396412576 /nfs/dbraw/zinc/41/25/76/396412576.db2.gz GLJPLXHIHGNOGC-SFYZADRCSA-N 1 2 306.292 0.321 10 0 DCAELO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1nnnn1CC(F)(F)F ZINC000190863048 396412577 /nfs/dbraw/zinc/41/25/77/396412577.db2.gz GLJPLXHIHGNOGC-SFYZADRCSA-N 1 2 306.292 0.321 10 0 DCAELO CCOc1cccc(CNC(=O)C[N@@H+]2CCCN(C)C(=O)C2)c1 ZINC000191091901 396415355 /nfs/dbraw/zinc/41/53/55/396415355.db2.gz XCLNHFLFFUSWOM-UHFFFAOYSA-N 1 2 319.405 0.866 10 0 DCAELO CCOc1cccc(CNC(=O)C[N@H+]2CCCN(C)C(=O)C2)c1 ZINC000191091901 396415358 /nfs/dbraw/zinc/41/53/58/396415358.db2.gz XCLNHFLFFUSWOM-UHFFFAOYSA-N 1 2 319.405 0.866 10 0 DCAELO C[C@H](O)CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000192437380 396430714 /nfs/dbraw/zinc/43/07/14/396430714.db2.gz MCSWZUSZBDTFTI-RWMBFGLXSA-N 1 2 322.409 0.875 10 0 DCAELO O=C(C[N@@H+]1CCN2CCOC[C@H]2C1)NCCOc1ccccc1 ZINC000371833459 396478270 /nfs/dbraw/zinc/47/82/70/396478270.db2.gz ABKXORAXSBVIDG-OAHLLOKOSA-N 1 2 319.405 0.198 10 0 DCAELO O=C(C[N@H+]1CCN2CCOC[C@H]2C1)NCCOc1ccccc1 ZINC000371833459 396478271 /nfs/dbraw/zinc/47/82/71/396478271.db2.gz ABKXORAXSBVIDG-OAHLLOKOSA-N 1 2 319.405 0.198 10 0 DCAELO CC(C)(C)n1cnc(-c2nc([C@H]3C[NH+]4CCN3CC4)no2)n1 ZINC000291080410 396478785 /nfs/dbraw/zinc/47/87/85/396478785.db2.gz NJTFIYYVGPJAEJ-SNVBAGLBSA-N 1 2 303.370 0.755 10 0 DCAELO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(-n2cncn2)cc1 ZINC000372646778 396533978 /nfs/dbraw/zinc/53/39/78/396533978.db2.gz CSVUFOUCRPAPCO-LSDHHAIUSA-N 1 2 316.361 0.766 10 0 DCAELO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(-n2cncn2)cc1 ZINC000372646778 396533980 /nfs/dbraw/zinc/53/39/80/396533980.db2.gz CSVUFOUCRPAPCO-LSDHHAIUSA-N 1 2 316.361 0.766 10 0 DCAELO CC[C@H](C)[C@@H](NC(=O)C[N@@H+]1CCOCC[C@@H]1C)C(=O)OC ZINC000374990187 396702573 /nfs/dbraw/zinc/70/25/73/396702573.db2.gz RZWPMWBXQUNNPG-SGMGOOAPSA-N 1 2 300.399 0.801 10 0 DCAELO CC[C@H](C)[C@@H](NC(=O)C[N@H+]1CCOCC[C@@H]1C)C(=O)OC ZINC000374990187 396702577 /nfs/dbraw/zinc/70/25/77/396702577.db2.gz RZWPMWBXQUNNPG-SGMGOOAPSA-N 1 2 300.399 0.801 10 0 DCAELO C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](C)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000375076648 396709825 /nfs/dbraw/zinc/70/98/25/396709825.db2.gz FJYSFWCAQIMCFD-ILXRZTDVSA-N 1 2 323.437 0.424 10 0 DCAELO CN(C[C@H]1C[N@H+](C)CCO1)C(=O)c1ncc2c(F)cccn21 ZINC000633916987 396743970 /nfs/dbraw/zinc/74/39/70/396743970.db2.gz UPPJCXPMJLNRSX-LLVKDONJSA-N 1 2 306.341 0.876 10 0 DCAELO CN(C[C@H]1C[N@@H+](C)CCO1)C(=O)c1ncc2c(F)cccn21 ZINC000633916987 396743973 /nfs/dbraw/zinc/74/39/73/396743973.db2.gz UPPJCXPMJLNRSX-LLVKDONJSA-N 1 2 306.341 0.876 10 0 DCAELO CC1(C)C[NH+](CC(=O)NC[C@@H](n2cncn2)C(F)(F)F)C1 ZINC000633987132 396764278 /nfs/dbraw/zinc/76/42/78/396764278.db2.gz JYWSJYPNIWAHEI-SECBINFHSA-N 1 2 305.304 0.840 10 0 DCAELO CSC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000563708317 396770512 /nfs/dbraw/zinc/77/05/12/396770512.db2.gz LFOUWCMXHWCNCU-AWEZNQCLSA-N 1 2 322.390 0.503 10 0 DCAELO COC(=O)c1ccc(S(=O)(=O)NCc2[nH]cc[nH+]2)c(C)c1 ZINC000611157899 396825856 /nfs/dbraw/zinc/82/58/56/396825856.db2.gz KLQSFHGKKBXRLD-UHFFFAOYSA-N 1 2 309.347 0.983 10 0 DCAELO Cn1cnnc1[C@H]1C[N@H+](C[C@H](O)Cc2ccccc2)CCO1 ZINC000328629244 396827209 /nfs/dbraw/zinc/82/72/09/396827209.db2.gz IATSTYFFOPKWIF-HUUCEWRRSA-N 1 2 302.378 0.792 10 0 DCAELO Cn1cnnc1[C@H]1C[N@@H+](C[C@H](O)Cc2ccccc2)CCO1 ZINC000328629244 396827212 /nfs/dbraw/zinc/82/72/12/396827212.db2.gz IATSTYFFOPKWIF-HUUCEWRRSA-N 1 2 302.378 0.792 10 0 DCAELO CCc1nnc2n1CCN(C1C[NH+](C[C@H](O)C(F)(F)F)C1)C2 ZINC000328636071 396828693 /nfs/dbraw/zinc/82/86/93/396828693.db2.gz NVROHWIYGROFMM-JTQLQIEISA-N 1 2 319.331 0.264 10 0 DCAELO CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1cc[nH+]cc1C ZINC000625355555 396845684 /nfs/dbraw/zinc/84/56/84/396845684.db2.gz FEFFNENBIUEZAZ-UHFFFAOYSA-N 1 2 320.393 0.560 10 0 DCAELO Cc1nnsc1CNC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000333001253 396914394 /nfs/dbraw/zinc/91/43/94/396914394.db2.gz USFFVPGCWNRQAG-GHMZBOCLSA-N 1 2 311.411 0.461 10 0 DCAELO Cc1nnsc1CNC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000333001253 396914397 /nfs/dbraw/zinc/91/43/97/396914397.db2.gz USFFVPGCWNRQAG-GHMZBOCLSA-N 1 2 311.411 0.461 10 0 DCAELO COC(=O)C1CCC(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000341754303 396981741 /nfs/dbraw/zinc/98/17/41/396981741.db2.gz NYJDHXAVZAUPGL-WUCCLRPBSA-N 1 2 324.421 0.897 10 0 DCAELO COC(=O)C1CCC(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000341754303 396981746 /nfs/dbraw/zinc/98/17/46/396981746.db2.gz NYJDHXAVZAUPGL-WUCCLRPBSA-N 1 2 324.421 0.897 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCNC(=O)[C@H]1C)C2 ZINC000364550602 397220062 /nfs/dbraw/zinc/22/00/62/397220062.db2.gz HSOFHDGEWYBBJY-MNOVXSKESA-N 1 2 304.394 0.985 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCNC(=O)[C@H]1C)CC2 ZINC000364550602 397220065 /nfs/dbraw/zinc/22/00/65/397220065.db2.gz HSOFHDGEWYBBJY-MNOVXSKESA-N 1 2 304.394 0.985 10 0 DCAELO C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CCNC(=O)CC1 ZINC000054258131 158020151 /nfs/dbraw/zinc/02/01/51/158020151.db2.gz HUTLQVWTDAZWRN-RYUDHWBXSA-N 1 2 310.398 0.213 10 0 DCAELO C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CCNC(=O)CC1 ZINC000054258131 158020152 /nfs/dbraw/zinc/02/01/52/158020152.db2.gz HUTLQVWTDAZWRN-RYUDHWBXSA-N 1 2 310.398 0.213 10 0 DCAELO COc1cccc(CNC(=O)[C@H](C)[N@@H+]2CCNC(=O)CC2)c1 ZINC000065955255 158034579 /nfs/dbraw/zinc/03/45/79/158034579.db2.gz QQLHHXUPUUVUDK-LBPRGKRZSA-N 1 2 305.378 0.522 10 0 DCAELO COc1cccc(CNC(=O)[C@H](C)[N@H+]2CCNC(=O)CC2)c1 ZINC000065955255 158034585 /nfs/dbraw/zinc/03/45/85/158034585.db2.gz QQLHHXUPUUVUDK-LBPRGKRZSA-N 1 2 305.378 0.522 10 0 DCAELO CCCC[C@@H](NC(N)=O)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000068521458 158043741 /nfs/dbraw/zinc/04/37/41/158043741.db2.gz GYRXJZRRNXVFEH-NWDGAFQWSA-N 1 2 300.403 0.050 10 0 DCAELO COc1ccc(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)nn1 ZINC000078120197 158071519 /nfs/dbraw/zinc/07/15/19/158071519.db2.gz OEWWFGCXVVWWBL-UHFFFAOYSA-N 1 2 310.317 0.996 10 0 DCAELO Cc1nnc([C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)c2ccccc2)[nH]1 ZINC000081028736 158082992 /nfs/dbraw/zinc/08/29/92/158082992.db2.gz OJQJATRBNKIDNB-KGLIPLIRSA-N 1 2 315.377 0.649 10 0 DCAELO Cc1nnc([C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)c2ccccc2)[nH]1 ZINC000081028736 158082996 /nfs/dbraw/zinc/08/29/96/158082996.db2.gz OJQJATRBNKIDNB-KGLIPLIRSA-N 1 2 315.377 0.649 10 0 DCAELO Cc1nc([C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)c2ccccc2)n[nH]1 ZINC000081028736 158082999 /nfs/dbraw/zinc/08/29/99/158082999.db2.gz OJQJATRBNKIDNB-KGLIPLIRSA-N 1 2 315.377 0.649 10 0 DCAELO Cc1nc([C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)c2ccccc2)n[nH]1 ZINC000081028736 158083001 /nfs/dbraw/zinc/08/30/01/158083001.db2.gz OJQJATRBNKIDNB-KGLIPLIRSA-N 1 2 315.377 0.649 10 0 DCAELO CC(C)CCSCC(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000097727739 158125975 /nfs/dbraw/zinc/12/59/75/158125975.db2.gz STCMKHVJAOSQJK-CYBMUJFWSA-N 1 2 304.456 0.575 10 0 DCAELO Cc1cc(N2CC[NH+]([C@@H](C)C(=O)N(C)C)CC2)n2ncnc2n1 ZINC000105908848 158132633 /nfs/dbraw/zinc/13/26/33/158132633.db2.gz SCZZMDREGJBEJC-LBPRGKRZSA-N 1 2 317.397 0.031 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)N(CCCO)CC(C)(C)C)C1 ZINC000106561330 158134018 /nfs/dbraw/zinc/13/40/18/158134018.db2.gz YFUPIOGWNCOABH-ZDUSSCGKSA-N 1 2 301.431 0.757 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)N(CCCO)CC(C)(C)C)C1 ZINC000106561330 158134021 /nfs/dbraw/zinc/13/40/21/158134021.db2.gz YFUPIOGWNCOABH-ZDUSSCGKSA-N 1 2 301.431 0.757 10 0 DCAELO O=C(Cc1ccc2c(c1)OCO2)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000114859124 158157672 /nfs/dbraw/zinc/15/76/72/158157672.db2.gz QNIXNQDWDOFJTD-CQSZACIVSA-N 1 2 318.373 0.937 10 0 DCAELO O=C(Cc1ccc2c(c1)OCO2)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000114859124 158157673 /nfs/dbraw/zinc/15/76/73/158157673.db2.gz QNIXNQDWDOFJTD-CQSZACIVSA-N 1 2 318.373 0.937 10 0 DCAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)C2(O)CCCC2)CC1 ZINC000115713870 158163273 /nfs/dbraw/zinc/16/32/73/158163273.db2.gz SUKOIXSCPICTEV-UHFFFAOYSA-N 1 2 320.437 0.986 10 0 DCAELO Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1F ZINC000118115844 158176153 /nfs/dbraw/zinc/17/61/53/158176153.db2.gz SIBYKBUTMRNFCK-GFCCVEGCSA-N 1 2 309.341 0.519 10 0 DCAELO Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1F ZINC000118115844 158176156 /nfs/dbraw/zinc/17/61/56/158176156.db2.gz SIBYKBUTMRNFCK-GFCCVEGCSA-N 1 2 309.341 0.519 10 0 DCAELO CCCCS[C@@H](C)C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000119574527 158189775 /nfs/dbraw/zinc/18/97/75/158189775.db2.gz USOJIMXEGYULAD-STQMWFEESA-N 1 2 304.456 0.718 10 0 DCAELO COCC[N@@H+]1CCN(CCCS(=O)(=O)C(C)C)C[C@@H]1C ZINC000120024543 158192372 /nfs/dbraw/zinc/19/23/72/158192372.db2.gz VFWSQVNDMVTXMO-AWEZNQCLSA-N 1 2 306.472 0.852 10 0 DCAELO COCC[N@H+]1CCN(CCCS(=O)(=O)C(C)C)C[C@@H]1C ZINC000120024543 158192374 /nfs/dbraw/zinc/19/23/74/158192374.db2.gz VFWSQVNDMVTXMO-AWEZNQCLSA-N 1 2 306.472 0.852 10 0 DCAELO CC[C@@](C)(O)C[NH+]1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000123373660 158229431 /nfs/dbraw/zinc/22/94/31/158229431.db2.gz QNGWGIFYSYXPBV-CQSZACIVSA-N 1 2 313.423 0.549 10 0 DCAELO O=S(=O)(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccc(F)cc1 ZINC000123614230 158231495 /nfs/dbraw/zinc/23/14/95/158231495.db2.gz YPUJOZLOCBTUCX-CYBMUJFWSA-N 1 2 314.382 0.967 10 0 DCAELO O=S(=O)(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1ccc(F)cc1 ZINC000123614230 158231497 /nfs/dbraw/zinc/23/14/97/158231497.db2.gz YPUJOZLOCBTUCX-CYBMUJFWSA-N 1 2 314.382 0.967 10 0 DCAELO Cn1cc(C(N)=O)cc1C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000124553629 158243538 /nfs/dbraw/zinc/24/35/38/158243538.db2.gz KAOPCJVDDHEJNS-UHFFFAOYSA-N 1 2 319.390 0.821 10 0 DCAELO Cn1cc(C(N)=O)cc1C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000124553629 158243540 /nfs/dbraw/zinc/24/35/40/158243540.db2.gz KAOPCJVDDHEJNS-UHFFFAOYSA-N 1 2 319.390 0.821 10 0 DCAELO C[C@H](CNC(=O)C[C@@H]1c2ccccc2NC1=O)[NH+]1CCOCC1 ZINC000125076049 158250590 /nfs/dbraw/zinc/25/05/90/158250590.db2.gz KGWAUWVULZEAHN-TZMCWYRMSA-N 1 2 317.389 0.949 10 0 DCAELO Cn1cc[nH+]c1CN1CCN(c2ccnc(C(N)=O)c2)CC1 ZINC000132157504 158307646 /nfs/dbraw/zinc/30/76/46/158307646.db2.gz CHMVHFPYCZDRJI-UHFFFAOYSA-N 1 2 300.366 0.236 10 0 DCAELO C[C@@H](NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)C1CCOCC1 ZINC000134933240 158332025 /nfs/dbraw/zinc/33/20/25/158332025.db2.gz FFBGQCMDTSTJSB-HIFRSBDPSA-N 1 2 311.426 0.918 10 0 DCAELO CC(C)(C)NC(=O)CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000163057278 158361470 /nfs/dbraw/zinc/36/14/70/158361470.db2.gz CFUVMDJYSIOARE-GFCCVEGCSA-N 1 2 319.409 0.874 10 0 DCAELO O=C(C[NH+]1CCN(c2cccnn2)CC1)NC(C1CC1)C1CC1 ZINC000170649509 158374914 /nfs/dbraw/zinc/37/49/14/158374914.db2.gz BWNBDHIYRPRAEW-UHFFFAOYSA-N 1 2 315.421 0.903 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)CNC(=O)CCC2CCCC2)C1 ZINC000170683757 158376203 /nfs/dbraw/zinc/37/62/03/158376203.db2.gz NBRFCUMLVSQVRQ-CQSZACIVSA-N 1 2 311.426 0.520 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)CNC(=O)CCC2CCCC2)C1 ZINC000170683757 158376205 /nfs/dbraw/zinc/37/62/05/158376205.db2.gz NBRFCUMLVSQVRQ-CQSZACIVSA-N 1 2 311.426 0.520 10 0 DCAELO CC[C@H](C(=O)OC)[NH+]1CCN(c2cc(C)nc3ncnn32)CC1 ZINC000171627912 158384156 /nfs/dbraw/zinc/38/41/56/158384156.db2.gz CGRDITDYHKJQDD-GFCCVEGCSA-N 1 2 318.381 0.506 10 0 DCAELO C[C@H](CS(C)(=O)=O)NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172275092 158393281 /nfs/dbraw/zinc/39/32/81/158393281.db2.gz MLCDBQLEVQKBGI-VXGBXAGGSA-N 1 2 303.428 0.299 10 0 DCAELO C[C@H](CS(C)(=O)=O)NC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000172275092 158393283 /nfs/dbraw/zinc/39/32/83/158393283.db2.gz MLCDBQLEVQKBGI-VXGBXAGGSA-N 1 2 303.428 0.299 10 0 DCAELO Nc1cc(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc(Cl)n1 ZINC000172360946 158394177 /nfs/dbraw/zinc/39/41/77/158394177.db2.gz BXGXUBQDUOSQMY-LLVKDONJSA-N 1 2 310.785 0.910 10 0 DCAELO Nc1cc(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cc(Cl)n1 ZINC000172360946 158394178 /nfs/dbraw/zinc/39/41/78/158394178.db2.gz BXGXUBQDUOSQMY-LLVKDONJSA-N 1 2 310.785 0.910 10 0 DCAELO CCCNC(=O)CCCC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172755686 158398770 /nfs/dbraw/zinc/39/87/70/158398770.db2.gz IRMILCBKWMNBNM-CQSZACIVSA-N 1 2 311.426 0.616 10 0 DCAELO C[C@H](NC(=O)[C@@H]1CC(F)(F)C[NH2+]1)C(=O)N1CCCC[C@H]1C ZINC000263110270 158856752 /nfs/dbraw/zinc/85/67/52/158856752.db2.gz AFBPQKHXLJTLBO-VWYCJHECSA-N 1 2 303.353 0.889 10 0 DCAELO CCc1nsc(N2CC[NH+]([C@H]3CCN(C4CC4)C3=O)CC2)n1 ZINC000328635599 159016605 /nfs/dbraw/zinc/01/66/05/159016605.db2.gz CCVGRYDAVFLTND-LBPRGKRZSA-N 1 2 321.450 0.986 10 0 DCAELO C[C@H](C(=O)N1CC[NH2+][C@@H](c2cccnc2)C1)N1CCOCC1 ZINC000328660476 159017742 /nfs/dbraw/zinc/01/77/42/159017742.db2.gz VLJIEOZWKCQDTC-UKRRQHHQSA-N 1 2 304.394 0.275 10 0 DCAELO Cc1cc(C)n(C[C@@H]2C[N@@H+]([C@@H]3CCN(C4CC4)C3=O)CCO2)n1 ZINC000328673300 159019412 /nfs/dbraw/zinc/01/94/12/159019412.db2.gz OZWGHDIQWQALNF-JKSUJKDBSA-N 1 2 318.421 0.964 10 0 DCAELO Cc1cc(C)n(C[C@@H]2C[N@H+]([C@@H]3CCN(C4CC4)C3=O)CCO2)n1 ZINC000328673300 159019414 /nfs/dbraw/zinc/01/94/14/159019414.db2.gz OZWGHDIQWQALNF-JKSUJKDBSA-N 1 2 318.421 0.964 10 0 DCAELO Cc1cnn(C[C@@H]2C[N@@H+]([C@H]3CCN(C4CC4)C3=O)CCO2)c1 ZINC000328672395 159019614 /nfs/dbraw/zinc/01/96/14/159019614.db2.gz OGPBFLYMHCSIDI-GJZGRUSLSA-N 1 2 304.394 0.656 10 0 DCAELO Cc1cnn(C[C@@H]2C[N@H+]([C@H]3CCN(C4CC4)C3=O)CCO2)c1 ZINC000328672395 159019615 /nfs/dbraw/zinc/01/96/15/159019615.db2.gz OGPBFLYMHCSIDI-GJZGRUSLSA-N 1 2 304.394 0.656 10 0 DCAELO Cc1c[nH]nc1CN1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000328811366 159031582 /nfs/dbraw/zinc/03/15/82/159031582.db2.gz AXUYLHSOYPMSOY-AWEZNQCLSA-N 1 2 321.425 0.083 10 0 DCAELO Cc1cc(COCC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)on1 ZINC000328905463 159040109 /nfs/dbraw/zinc/04/01/09/159040109.db2.gz KAKPRLBUXJZLAT-ZIAGYGMSSA-N 1 2 309.366 0.431 10 0 DCAELO Cc1cc(COCC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)on1 ZINC000328905463 159040111 /nfs/dbraw/zinc/04/01/11/159040111.db2.gz KAKPRLBUXJZLAT-ZIAGYGMSSA-N 1 2 309.366 0.431 10 0 DCAELO CC[C@@H]1CN(C(=O)[C@@H]2CCc3[nH]nnc3C2)CC[N@@H+]1C[C@H](C)O ZINC000328985051 159049866 /nfs/dbraw/zinc/04/98/66/159049866.db2.gz SZSAJUFCLWWHBW-YNEHKIRRSA-N 1 2 321.425 0.213 10 0 DCAELO CC[C@@H]1CN(C(=O)[C@@H]2CCc3[nH]nnc3C2)CC[N@H+]1C[C@H](C)O ZINC000328985051 159049868 /nfs/dbraw/zinc/04/98/68/159049868.db2.gz SZSAJUFCLWWHBW-YNEHKIRRSA-N 1 2 321.425 0.213 10 0 DCAELO CC[C@@H]1CN(C(=O)[C@@H]2CCc3nn[nH]c3C2)CC[N@@H+]1C[C@H](C)O ZINC000328985051 159049870 /nfs/dbraw/zinc/04/98/70/159049870.db2.gz SZSAJUFCLWWHBW-YNEHKIRRSA-N 1 2 321.425 0.213 10 0 DCAELO CC[C@@H]1CN(C(=O)[C@@H]2CCc3nn[nH]c3C2)CC[N@H+]1C[C@H](C)O ZINC000328985051 159049871 /nfs/dbraw/zinc/04/98/71/159049871.db2.gz SZSAJUFCLWWHBW-YNEHKIRRSA-N 1 2 321.425 0.213 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnn4ccncc34)C[C@@H]21 ZINC000329156768 159068456 /nfs/dbraw/zinc/06/84/56/159068456.db2.gz CBJSRMBVWSMVLO-UONOGXRCSA-N 1 2 301.350 0.274 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnn4ccncc34)C[C@@H]21 ZINC000329156768 159068458 /nfs/dbraw/zinc/06/84/58/159068458.db2.gz CBJSRMBVWSMVLO-UONOGXRCSA-N 1 2 301.350 0.274 10 0 DCAELO CN(C(=O)[C@@H]1COCC[N@@H+]1CC1CCC1)[C@H]1CCN(C)C1=O ZINC000329286321 159079330 /nfs/dbraw/zinc/07/93/30/159079330.db2.gz MBVCHTUNDQUXMU-KBPBESRZSA-N 1 2 309.410 0.176 10 0 DCAELO CN(C(=O)[C@@H]1COCC[N@H+]1CC1CCC1)[C@H]1CCN(C)C1=O ZINC000329286321 159079333 /nfs/dbraw/zinc/07/93/33/159079333.db2.gz MBVCHTUNDQUXMU-KBPBESRZSA-N 1 2 309.410 0.176 10 0 DCAELO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N(C)[C@@H]1COC[C@H]1O ZINC000329375457 159087336 /nfs/dbraw/zinc/08/73/36/159087336.db2.gz LJQCZWXBNJXREN-AAVRWANBSA-N 1 2 305.378 0.372 10 0 DCAELO COc1cc(N2CC[NH+]([C@@H]3CCN(C4CC4)C3=O)CC2)ncn1 ZINC000329612227 159106213 /nfs/dbraw/zinc/10/62/13/159106213.db2.gz DLPXLQRTPZUNHI-CYBMUJFWSA-N 1 2 317.393 0.371 10 0 DCAELO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)CC23CCC(CC2)C3)CC1 ZINC000329664988 159110168 /nfs/dbraw/zinc/11/01/68/159110168.db2.gz PSTYZYAHPIUWFV-WLYUNCDWSA-N 1 2 316.467 0.895 10 0 DCAELO CC1CCN(S(=O)(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CC1 ZINC000329678784 159111549 /nfs/dbraw/zinc/11/15/49/159111549.db2.gz VTHFLJLDRNSOMI-AWEZNQCLSA-N 1 2 317.455 0.370 10 0 DCAELO CCN1C[C@H](C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)CC1=O ZINC000329750947 159117677 /nfs/dbraw/zinc/11/76/77/159117677.db2.gz VGLNRDJNZMZXJK-MJBXVCDLSA-N 1 2 309.410 0.034 10 0 DCAELO O=C([C@H]1CCCO1)N1CC[NH+]([C@@H]2CCN(C3CC3)C2=O)CC1 ZINC000330090971 159140745 /nfs/dbraw/zinc/14/07/45/159140745.db2.gz XHPFHWZRTKFNSA-ZIAGYGMSSA-N 1 2 307.394 0.073 10 0 DCAELO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1cnn2ncccc12 ZINC000330235608 159153159 /nfs/dbraw/zinc/15/31/59/159153159.db2.gz TYZPBGHFAKEOAL-TZMCWYRMSA-N 1 2 315.377 0.665 10 0 DCAELO CCn1cncc1S(=O)(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000330267535 159155111 /nfs/dbraw/zinc/15/51/11/159155111.db2.gz QPTGXCNAZXKPJK-GFCCVEGCSA-N 1 2 314.411 0.045 10 0 DCAELO CCn1cncc1S(=O)(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000330267535 159155114 /nfs/dbraw/zinc/15/51/14/159155114.db2.gz QPTGXCNAZXKPJK-GFCCVEGCSA-N 1 2 314.411 0.045 10 0 DCAELO Cc1nc2c(nccc2C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)[nH]1 ZINC000367175673 159319041 /nfs/dbraw/zinc/31/90/41/159319041.db2.gz ZOFAIGOXHWBTKK-GFCCVEGCSA-N 1 2 315.377 0.813 10 0 DCAELO CN1C[C@H](NC(=O)C2CC[NH+](CC(F)F)CC2)CCC1=O ZINC000407999059 160007045 /nfs/dbraw/zinc/00/70/45/160007045.db2.gz UJVSJIKQXYFKQJ-LLVKDONJSA-N 1 2 303.353 0.701 10 0 DCAELO COc1ccc(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)cn1 ZINC000408015093 160011440 /nfs/dbraw/zinc/01/14/40/160011440.db2.gz ABEMLRNKWLXIDD-KBPBESRZSA-N 1 2 320.393 0.705 10 0 DCAELO COc1ccc(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)cn1 ZINC000408015093 160011441 /nfs/dbraw/zinc/01/14/41/160011441.db2.gz ABEMLRNKWLXIDD-KBPBESRZSA-N 1 2 320.393 0.705 10 0 DCAELO NC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000408024690 160014534 /nfs/dbraw/zinc/01/45/34/160014534.db2.gz FZWOIDMYARNXQI-RKDXNWHRSA-N 1 2 308.304 0.282 10 0 DCAELO NC(=O)N[C@@H]1CC[N@H+]([C@@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000408024690 160014537 /nfs/dbraw/zinc/01/45/37/160014537.db2.gz FZWOIDMYARNXQI-RKDXNWHRSA-N 1 2 308.304 0.282 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)CCNC(=O)C(C)(C)C)C[C@@H]21 ZINC000408024014 160015137 /nfs/dbraw/zinc/01/51/37/160015137.db2.gz WYQIADXTDKFQQI-QWHCGFSZSA-N 1 2 311.426 0.470 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)CCNC(=O)C(C)(C)C)C[C@@H]21 ZINC000408024014 160015139 /nfs/dbraw/zinc/01/51/39/160015139.db2.gz WYQIADXTDKFQQI-QWHCGFSZSA-N 1 2 311.426 0.470 10 0 DCAELO CCn1cnnc1[C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000408127601 160043130 /nfs/dbraw/zinc/04/31/30/160043130.db2.gz XCUZJONLYUTRMV-ZIAGYGMSSA-N 1 2 321.425 0.725 10 0 DCAELO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)N(C)CC(C)C)CC1 ZINC000408135614 160044919 /nfs/dbraw/zinc/04/49/19/160044919.db2.gz YTEXQBZOMQKIGH-ZDUSSCGKSA-N 1 2 307.460 0.208 10 0 DCAELO C[C@H]1C[C@H](S(=O)(=O)NCCC[NH+]2CCOCC2)CCO1 ZINC000408192306 160056728 /nfs/dbraw/zinc/05/67/28/160056728.db2.gz MKQUISNOYQNFKH-QWHCGFSZSA-N 1 2 306.428 0.196 10 0 DCAELO Cc1cc[nH+]cc1N1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000408231128 160064759 /nfs/dbraw/zinc/06/47/59/160064759.db2.gz FTHHCEFIBAJLBR-UHFFFAOYSA-N 1 2 321.406 0.634 10 0 DCAELO Cc1cnc(C(=O)N2CCN(c3[nH+]ccn3C)CC2)c(O)c1 ZINC000408373364 160094564 /nfs/dbraw/zinc/09/45/64/160094564.db2.gz LCDFSSQJFMKHLO-UHFFFAOYSA-N 1 2 301.350 0.792 10 0 DCAELO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)[C@H]2CCO[C@@H](C)C2)CC1 ZINC000408459563 160112803 /nfs/dbraw/zinc/11/28/03/160112803.db2.gz IXNFRVUVZWUBCS-MJBXVCDLSA-N 1 2 320.455 0.272 10 0 DCAELO COc1ccccc1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000129599808 286989268 /nfs/dbraw/zinc/98/92/68/286989268.db2.gz DSNNDGGAADIZGM-UHFFFAOYSA-N 1 2 303.362 0.940 10 0 DCAELO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)CCCCOC)CC1 ZINC000136127751 287025588 /nfs/dbraw/zinc/02/55/88/287025588.db2.gz AZYKBUGISFTTFB-ZDUSSCGKSA-N 1 2 308.444 0.131 10 0 DCAELO Cn1cc([C@H]([NH2+]CC(=O)NC(N)=O)c2ccc(F)cc2)cn1 ZINC000184600858 287056688 /nfs/dbraw/zinc/05/66/88/287056688.db2.gz AQYIODCNJOALRH-CYBMUJFWSA-N 1 2 305.313 0.433 10 0 DCAELO C[C@H](C(=O)N1CCS(=O)(=O)[C@H](C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000247361251 287093057 /nfs/dbraw/zinc/09/30/57/287093057.db2.gz MKDRIDHTFNOIKE-YVECIDJPSA-N 1 2 302.440 0.893 10 0 DCAELO C[C@H](C(=O)N1CCS(=O)(=O)[C@H](C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000247361251 287093059 /nfs/dbraw/zinc/09/30/59/287093059.db2.gz MKDRIDHTFNOIKE-YVECIDJPSA-N 1 2 302.440 0.893 10 0 DCAELO Cn1nnc(C[N@@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)n1 ZINC000248647567 287098977 /nfs/dbraw/zinc/09/89/77/287098977.db2.gz ILKIHBHCHOWMKP-QJPTWQEYSA-N 1 2 322.413 0.945 10 0 DCAELO Cn1nnc(C[N@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)n1 ZINC000248647567 287098980 /nfs/dbraw/zinc/09/89/80/287098980.db2.gz ILKIHBHCHOWMKP-QJPTWQEYSA-N 1 2 322.413 0.945 10 0 DCAELO CCOC(=O)[C@@H](CC)N(C[C@@H](O)C[NH+]1CCOCC1)C1CC1 ZINC000249263145 287108358 /nfs/dbraw/zinc/10/83/58/287108358.db2.gz ICSGCNQVSPLJHP-LSDHHAIUSA-N 1 2 314.426 0.486 10 0 DCAELO Cc1ccc(S(=O)(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c(C)c1 ZINC000249449536 287110932 /nfs/dbraw/zinc/11/09/32/287110932.db2.gz LXYLGHRYZIFYEY-AWEZNQCLSA-N 1 2 312.435 0.991 10 0 DCAELO Cc1ccc(S(=O)(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c(C)c1 ZINC000249449536 287110936 /nfs/dbraw/zinc/11/09/36/287110936.db2.gz LXYLGHRYZIFYEY-AWEZNQCLSA-N 1 2 312.435 0.991 10 0 DCAELO CO[C@@H]1CN(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CC[C@@H]1C ZINC000251919263 287120384 /nfs/dbraw/zinc/12/03/84/287120384.db2.gz SHHLEVNJZAUXBD-RRFJBIMHSA-N 1 2 312.458 0.689 10 0 DCAELO CNc1nc(N[C@H]2CCS(=O)(=O)C2)[nH+]cc1Br ZINC000130809384 196111602 /nfs/dbraw/zinc/11/16/02/196111602.db2.gz FARKGBFWRBBEQD-LURJTMIESA-N 1 2 321.200 0.880 10 0 DCAELO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000332753504 415462688 /nfs/dbraw/zinc/46/26/88/415462688.db2.gz IHCOHZTZRFEOHH-RFGFWPKPSA-N 1 2 324.425 0.016 10 0 DCAELO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000332753504 415462692 /nfs/dbraw/zinc/46/26/92/415462692.db2.gz IHCOHZTZRFEOHH-RFGFWPKPSA-N 1 2 324.425 0.016 10 0 DCAELO CN(C)c1[nH+]cccc1N(C)C(=O)CCSc1nnnn1C ZINC000079721996 415475924 /nfs/dbraw/zinc/47/59/24/415475924.db2.gz QXGNJIRETPWUNJ-UHFFFAOYSA-N 1 2 321.410 0.816 10 0 DCAELO COc1cc(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)ncn1 ZINC000285897340 415619654 /nfs/dbraw/zinc/61/96/54/415619654.db2.gz JNYWSVSETNEDNP-QWRGUYRKSA-N 1 2 307.354 0.422 10 0 DCAELO COc1cc(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)ncn1 ZINC000285897340 415619660 /nfs/dbraw/zinc/61/96/60/415619660.db2.gz JNYWSVSETNEDNP-QWRGUYRKSA-N 1 2 307.354 0.422 10 0 DCAELO O=C(NCC[NH+]1CCOCC1)c1ccc(-c2ncon2)cc1 ZINC000107202913 415659517 /nfs/dbraw/zinc/65/95/17/415659517.db2.gz AURDLGWZZPDEER-UHFFFAOYSA-N 1 2 302.334 0.799 10 0 DCAELO CC(C)[C@H]1C(=O)NCCN1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000114927106 415724234 /nfs/dbraw/zinc/72/42/34/415724234.db2.gz CWWREMUYTGSGBR-ZDUSSCGKSA-N 1 2 319.409 0.814 10 0 DCAELO C[C@@H](C(=O)NC[C@H](O)C[NH+]1CCOCC1)c1cccc(F)c1 ZINC000132763065 415936230 /nfs/dbraw/zinc/93/62/30/415936230.db2.gz MGEHXTPDYAKMSY-DOMZBBRYSA-N 1 2 310.369 0.739 10 0 DCAELO O=C(Cc1cccc(O)c1)N1CC[NH+](CCn2cncn2)CC1 ZINC000357320428 416063476 /nfs/dbraw/zinc/06/34/76/416063476.db2.gz YLNLJSWYYDBXEV-UHFFFAOYSA-N 1 2 315.377 0.371 10 0 DCAELO CC(=O)Nc1ccc(O)c(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1 ZINC000356939984 416009460 /nfs/dbraw/zinc/00/94/60/416009460.db2.gz SQMGMJFAGPGVRY-UKRRQHHQSA-N 1 2 319.361 0.506 10 0 DCAELO CC(=O)Nc1ccc(O)c(C(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c1 ZINC000356939984 416009463 /nfs/dbraw/zinc/00/94/63/416009463.db2.gz SQMGMJFAGPGVRY-UKRRQHHQSA-N 1 2 319.361 0.506 10 0 DCAELO CNC(=O)c1cccnc1N1CC[NH+](CC(=O)NC(C)C)CC1 ZINC000301370152 416081914 /nfs/dbraw/zinc/08/19/14/416081914.db2.gz SFAGXGPBNVWAKX-UHFFFAOYSA-N 1 2 319.409 0.088 10 0 DCAELO C[N@@H+]1CCO[C@@H](C(=O)NC2CCN(c3ccccn3)CC2)C1 ZINC000174640462 416082826 /nfs/dbraw/zinc/08/28/26/416082826.db2.gz XQGWKFLYOBFHBB-CQSZACIVSA-N 1 2 304.394 0.497 10 0 DCAELO C[N@H+]1CCO[C@@H](C(=O)NC2CCN(c3ccccn3)CC2)C1 ZINC000174640462 416082828 /nfs/dbraw/zinc/08/28/28/416082828.db2.gz XQGWKFLYOBFHBB-CQSZACIVSA-N 1 2 304.394 0.497 10 0 DCAELO CCOC(=O)C[N@@H+]1CCCN(c2ncccc2C(=O)NC)CC1 ZINC000301559661 416086674 /nfs/dbraw/zinc/08/66/74/416086674.db2.gz 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/nfs/dbraw/zinc/13/97/67/416139767.db2.gz BDIFZXBUWYXFKM-KBPBESRZSA-N 1 2 317.393 1.291 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3ccc(C4CC4)nn3)C[C@@H]21 ZINC000328931357 416139771 /nfs/dbraw/zinc/13/97/71/416139771.db2.gz BDIFZXBUWYXFKM-KBPBESRZSA-N 1 2 317.393 1.291 10 0 DCAELO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC000328916648 416140011 /nfs/dbraw/zinc/14/00/11/416140011.db2.gz AOCMVQZAEWFXPB-UPJWGTAASA-N 1 2 302.440 0.752 10 0 DCAELO C[C@@H](CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)N1CCOCC1 ZINC000177394580 416144129 /nfs/dbraw/zinc/14/41/29/416144129.db2.gz SJYUOCWZRVSTMZ-LSDHHAIUSA-N 1 2 321.425 0.778 10 0 DCAELO C[C@H]1CN(CC(=O)NCc2ccco2)C[C@@H]1[NH+]1CCOCC1 ZINC000177274545 416145118 /nfs/dbraw/zinc/14/51/18/416145118.db2.gz VDDDHQAZAZUPLC-ZFWWWQNUSA-N 1 2 307.394 0.548 10 0 DCAELO O=C(NC[C@H]1C[NH+]2CCN1CC2)C(=O)Nc1ccc(F)cc1F ZINC000178959134 416178837 /nfs/dbraw/zinc/17/88/37/416178837.db2.gz WREDGRHVRPPAST-NSHDSACASA-N 1 2 324.331 0.019 10 0 DCAELO CCn1cc(C(=O)C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)cn1 ZINC000179164701 416183206 /nfs/dbraw/zinc/18/32/06/416183206.db2.gz MLSJGQFGXLIXMK-UHFFFAOYSA-N 1 2 324.344 0.983 10 0 DCAELO CC1=CC[N@H+](CCNC(=O)N(C)[C@H](C)CS(C)(=O)=O)CC1 ZINC000358194145 416209384 /nfs/dbraw/zinc/20/93/84/416209384.db2.gz RORUOXHPIGSAGH-CYBMUJFWSA-N 1 2 317.455 0.713 10 0 DCAELO CC1=CC[N@@H+](CCNC(=O)N(C)[C@H](C)CS(C)(=O)=O)CC1 ZINC000358194145 416209386 /nfs/dbraw/zinc/20/93/86/416209386.db2.gz RORUOXHPIGSAGH-CYBMUJFWSA-N 1 2 317.455 0.713 10 0 DCAELO COC(=O)Cc1cccc(C(=O)NC[C@@H](C)[NH+]2CCOCC2)c1 ZINC000188194927 416263193 /nfs/dbraw/zinc/26/31/93/416263193.db2.gz LDNJFCKNZGLGNU-CYBMUJFWSA-N 1 2 320.389 0.853 10 0 DCAELO CC1=C(C(=O)NC[C@@H]2C[N@H+](C)CCO2)[C@@H](C)n2ncnc2N1C ZINC000192197342 416300814 /nfs/dbraw/zinc/30/08/14/416300814.db2.gz ORAJMJILDQXNBG-VXGBXAGGSA-N 1 2 320.397 0.010 10 0 DCAELO CC1=C(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)[C@@H](C)n2ncnc2N1C ZINC000192197342 416300816 /nfs/dbraw/zinc/30/08/16/416300816.db2.gz ORAJMJILDQXNBG-VXGBXAGGSA-N 1 2 320.397 0.010 10 0 DCAELO CN(Cc1ccco1)C(=O)C[N@@H+]1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000583617989 416478856 /nfs/dbraw/zinc/47/88/56/416478856.db2.gz QSFZKBBHNXZQCD-OAHLLOKOSA-N 1 2 319.365 0.340 10 0 DCAELO CN(Cc1ccco1)C(=O)C[N@H+]1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000583617989 416478864 /nfs/dbraw/zinc/47/88/64/416478864.db2.gz QSFZKBBHNXZQCD-OAHLLOKOSA-N 1 2 319.365 0.340 10 0 DCAELO CC(=O)[C@](C)(O)C[N@@H+]1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000459506310 416546604 /nfs/dbraw/zinc/54/66/04/416546604.db2.gz PNCTUOLILDRMFA-IINYFYTJSA-N 1 2 311.407 0.629 10 0 DCAELO CC(=O)[C@](C)(O)C[N@H+]1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000459506310 416546610 /nfs/dbraw/zinc/54/66/10/416546610.db2.gz PNCTUOLILDRMFA-IINYFYTJSA-N 1 2 311.407 0.629 10 0 DCAELO C[C@H]1CCc2nc(NC(=O)C(=O)N3CC[NH+](C)CC3)sc2C1 ZINC000434767878 416495918 /nfs/dbraw/zinc/49/59/18/416495918.db2.gz UFRLTRQZURYBKF-JTQLQIEISA-N 1 2 322.434 0.980 10 0 DCAELO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000362669001 416568831 /nfs/dbraw/zinc/56/88/31/416568831.db2.gz SWQPAXVWEJOCPR-MNOVXSKESA-N 1 2 320.393 1.531 10 0 DCAELO CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623275240 416791273 /nfs/dbraw/zinc/79/12/73/416791273.db2.gz CZZUTKHRRZWFFX-WBVHZDCISA-N 1 2 324.384 0.897 10 0 DCAELO C[C@H](CC1CC1)NC(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000369558933 416795528 /nfs/dbraw/zinc/79/55/28/416795528.db2.gz FACAVISSXWMKGE-YPMHNXCESA-N 1 2 312.414 0.003 10 0 DCAELO C[C@H](CC1CC1)NC(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000369558933 416795537 /nfs/dbraw/zinc/79/55/37/416795537.db2.gz FACAVISSXWMKGE-YPMHNXCESA-N 1 2 312.414 0.003 10 0 DCAELO COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000377155960 417049722 /nfs/dbraw/zinc/04/97/22/417049722.db2.gz WAKPNKZMLGAPGZ-SOUVJXGZSA-N 1 2 324.421 0.899 10 0 DCAELO O=S(=O)(c1ccccc1)N1CC[NH2+]C[C@@H]1c1ccnnc1 ZINC000616638896 417086658 /nfs/dbraw/zinc/08/66/58/417086658.db2.gz KHSFQBHDHUTNBL-CQSZACIVSA-N 1 2 304.375 0.812 10 0 DCAELO Nc1[nH+]cccc1[C@H]1c2ccccc2CCN1S(N)(=O)=O ZINC000616679468 417093977 /nfs/dbraw/zinc/09/39/77/417093977.db2.gz BIMZJPLJDKAVBS-CYBMUJFWSA-N 1 2 304.375 0.815 10 0 DCAELO CC(C)n1ncnc1C[NH2+][C@H]1CCCN(S(C)(=O)=O)C1 ZINC000400192677 417110518 /nfs/dbraw/zinc/11/05/18/417110518.db2.gz VUTIJDHCMGUVCO-NSHDSACASA-N 1 2 301.416 0.373 10 0 DCAELO COC[C@@H]1C[N@H+](CC(=O)N2C[C@@H](C)O[C@H](C)C2)CC(C)(C)O1 ZINC000408029430 417132757 /nfs/dbraw/zinc/13/27/57/417132757.db2.gz BUFJZTLULHAISY-MCIONIFRSA-N 1 2 314.426 0.748 10 0 DCAELO COC[C@@H]1C[N@@H+](CC(=O)N2C[C@@H](C)O[C@H](C)C2)CC(C)(C)O1 ZINC000408029430 417132763 /nfs/dbraw/zinc/13/27/63/417132763.db2.gz BUFJZTLULHAISY-MCIONIFRSA-N 1 2 314.426 0.748 10 0 DCAELO C[C@H](COCc1ccccc1)NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638022084 417286144 /nfs/dbraw/zinc/28/61/44/417286144.db2.gz QJUHZOHJOSPJIU-ZIAGYGMSSA-N 1 2 319.405 0.528 10 0 DCAELO CCOC(=O)[C@H]1CN(c2nc[nH+]c(N)c2Cl)CC12COC2 ZINC000450558925 417241188 /nfs/dbraw/zinc/24/11/88/417241188.db2.gz CWGLZCYCKVLYIS-MRVPVSSYSA-N 1 2 312.757 0.728 10 0 DCAELO O=C(CN1CCCC[C@@H](O)C1=O)NCc1cn2c([nH+]1)CCCC2 ZINC000644345513 417542558 /nfs/dbraw/zinc/54/25/58/417542558.db2.gz UXJBYSWJBUKBJC-CYBMUJFWSA-N 1 2 320.393 0.209 10 0 DCAELO O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CC[NH+](CCn2cncn2)CC1 ZINC000531152815 417610008 /nfs/dbraw/zinc/61/00/08/417610008.db2.gz SWOSXDOIIQFLOH-FICVDOATSA-N 1 2 303.410 0.859 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCCCOCC3CC3)C[C@@H]21 ZINC000580474182 417706424 /nfs/dbraw/zinc/70/64/24/417706424.db2.gz SCIDISFZIKSNOG-LSDHHAIUSA-N 1 2 311.426 0.918 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCCCOCC3CC3)C[C@@H]21 ZINC000580474182 417706429 /nfs/dbraw/zinc/70/64/29/417706429.db2.gz SCIDISFZIKSNOG-LSDHHAIUSA-N 1 2 311.426 0.918 10 0 DCAELO C[C@H]1CCCN(S(=O)(=O)CCC[NH+]2CCOCC2)[C@H]1CO ZINC000408243339 299844736 /nfs/dbraw/zinc/84/47/36/299844736.db2.gz GJGDBKKNTXLWLQ-KBPBESRZSA-N 1 2 320.455 0.131 10 0 DCAELO C[C@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000184720624 261119869 /nfs/dbraw/zinc/11/98/69/261119869.db2.gz QVUVTYBVCYCGON-OPRDCNLKSA-N 1 2 300.305 0.719 10 0 DCAELO C[C@H](C(=O)Nc1c(F)cccc1F)[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000184720624 261119872 /nfs/dbraw/zinc/11/98/72/261119872.db2.gz QVUVTYBVCYCGON-OPRDCNLKSA-N 1 2 300.305 0.719 10 0 DCAELO COCCO[C@@H]1CCCN(c2nc3c(cnn3C)c(N)[nH+]2)C1 ZINC000193554660 261141890 /nfs/dbraw/zinc/14/18/90/261141890.db2.gz GJGQEEHBRKPDIZ-SNVBAGLBSA-N 1 2 306.370 0.577 10 0 DCAELO O=C(Cn1ncc2ccccc21)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000363917633 262136776 /nfs/dbraw/zinc/13/67/76/262136776.db2.gz FNZFXOUYLDRATR-OAHLLOKOSA-N 1 2 314.389 0.969 10 0 DCAELO COC(=O)[C@@H](C1CC1)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000359590849 271127057 /nfs/dbraw/zinc/12/70/57/271127057.db2.gz UGLKPMISRVDCPT-UKRRQHHQSA-N 1 2 323.437 0.567 10 0 DCAELO COCC[NH+]1CCN(C(=O)C(=O)N(C)C[C@H]2CC=CCC2)CC1 ZINC000459891202 272017120 /nfs/dbraw/zinc/01/71/20/272017120.db2.gz ZVIXBQJDZFCALJ-HNNXBMFYSA-N 1 2 323.437 0.592 10 0 DCAELO CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(C(C)(C)C(=O)OC)CC1 ZINC000494449051 272222430 /nfs/dbraw/zinc/22/24/30/272222430.db2.gz XQGDNCNOXPSQJG-STQMWFEESA-N 1 2 313.442 0.859 10 0 DCAELO CC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000551885384 288240554 /nfs/dbraw/zinc/24/05/54/288240554.db2.gz SIDILOFRRMFPAD-OLZOCXBDSA-N 1 2 320.393 0.984 10 0 DCAELO CC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000551885384 288240555 /nfs/dbraw/zinc/24/05/55/288240555.db2.gz SIDILOFRRMFPAD-OLZOCXBDSA-N 1 2 320.393 0.984 10 0 DCAELO C[C@H]1CN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CCCO1 ZINC000552742380 288279925 /nfs/dbraw/zinc/27/99/25/288279925.db2.gz PIDQEDBPCZMUEP-NSHDSACASA-N 1 2 302.334 0.910 10 0 DCAELO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC000329659516 288290310 /nfs/dbraw/zinc/29/03/10/288290310.db2.gz OCHBWIMLLMEKLW-HZSPNIEDSA-N 1 2 314.451 0.896 10 0 DCAELO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC000329659516 288290312 /nfs/dbraw/zinc/29/03/12/288290312.db2.gz OCHBWIMLLMEKLW-HZSPNIEDSA-N 1 2 314.451 0.896 10 0 DCAELO CC(C)[C@@H](CCO)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000553101043 288287052 /nfs/dbraw/zinc/28/70/52/288287052.db2.gz MNKJLBXZUIROML-GFCCVEGCSA-N 1 2 304.350 0.796 10 0 DCAELO C[C@@H]1CCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)[C@H]1CO ZINC000565401153 288849304 /nfs/dbraw/zinc/84/93/04/288849304.db2.gz JIFOZPIXBHUMDA-PWSUYJOCSA-N 1 2 302.334 0.502 10 0 DCAELO C[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1)[NH+]1CCOCC1 ZINC000041600535 289635442 /nfs/dbraw/zinc/63/54/42/289635442.db2.gz SZADSHWIEOKAQY-LLVKDONJSA-N 1 2 309.341 0.601 10 0 DCAELO C[C@H](C(=O)NC1CCC(C)CC1)[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000246397451 298142835 /nfs/dbraw/zinc/14/28/35/298142835.db2.gz IOHXFZHMJAFHJN-RQASJOBOSA-N 1 2 311.426 0.644 10 0 DCAELO C[C@H](C(=O)NC1CCC(C)CC1)[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000246397451 298142839 /nfs/dbraw/zinc/14/28/39/298142839.db2.gz IOHXFZHMJAFHJN-RQASJOBOSA-N 1 2 311.426 0.644 10 0 DCAELO Cn1cc(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)ccc1=O ZINC000173266321 302915649 /nfs/dbraw/zinc/91/56/49/302915649.db2.gz AYUUYEPOZZJHHK-CQSZACIVSA-N 1 2 320.393 0.714 10 0 DCAELO O=C(Cn1[nH]c(=O)ccc1=O)N1CCC([NH+]2CCCC2)CC1 ZINC000058908229 303664158 /nfs/dbraw/zinc/66/41/58/303664158.db2.gz SSQXUOPNCYCWDD-UHFFFAOYSA-N 1 2 306.366 0.036 10 0 DCAELO C/C=C\C[C@H](CO)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000584444730 337326236 /nfs/dbraw/zinc/32/62/36/337326236.db2.gz QLTRCYIJCFNYSL-ZZKXABKFSA-N 1 2 302.334 0.716 10 0 DCAELO Cc1ccc(C[N@@H+](C)CCNS(=O)(=O)c2cnn(C)c2)o1 ZINC000173491540 533873327 /nfs/dbraw/zinc/87/33/27/533873327.db2.gz XFYOYCQASUJUGQ-UHFFFAOYSA-N 1 2 312.395 0.732 10 0 DCAELO Cc1ccc(C[N@H+](C)CCNS(=O)(=O)c2cnn(C)c2)o1 ZINC000173491540 533873337 /nfs/dbraw/zinc/87/33/37/533873337.db2.gz XFYOYCQASUJUGQ-UHFFFAOYSA-N 1 2 312.395 0.732 10 0 DCAELO Cn1nnnc1C[N@@H+]1CCC[C@@H](CC(=O)N2CCCC2)CC1 ZINC000299745033 534367946 /nfs/dbraw/zinc/36/79/46/534367946.db2.gz QVKJIBDWSUSODU-CYBMUJFWSA-N 1 2 306.414 0.825 10 0 DCAELO Cn1nnnc1C[N@H+]1CCC[C@@H](CC(=O)N2CCCC2)CC1 ZINC000299745033 534367951 /nfs/dbraw/zinc/36/79/51/534367951.db2.gz QVKJIBDWSUSODU-CYBMUJFWSA-N 1 2 306.414 0.825 10 0 DCAELO NC(=O)[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000171992243 534453109 /nfs/dbraw/zinc/45/31/09/534453109.db2.gz UKNBQKPYQYIUQI-VHSXEESVSA-N 1 2 307.316 0.737 10 0 DCAELO NC(=O)[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000171992243 534453117 /nfs/dbraw/zinc/45/31/17/534453117.db2.gz UKNBQKPYQYIUQI-VHSXEESVSA-N 1 2 307.316 0.737 10 0 DCAELO CC(C)n1nnnc1C[NH+]1CCC([C@H]2OCC[C@@H]2C(N)=O)CC1 ZINC000367429329 520143011 /nfs/dbraw/zinc/14/30/11/520143011.db2.gz ILLHLIKAQAFMNH-GXTWGEPZSA-N 1 2 322.413 0.356 10 0 DCAELO COC[C@@H]1C[N@H+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CCO1 ZINC000246719173 522507408 /nfs/dbraw/zinc/50/74/08/522507408.db2.gz LPAWMXFGNOZVMV-SOUVJXGZSA-N 1 2 312.410 0.504 10 0 DCAELO COC[C@@H]1C[N@@H+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CCO1 ZINC000246719173 522507419 /nfs/dbraw/zinc/50/74/19/522507419.db2.gz LPAWMXFGNOZVMV-SOUVJXGZSA-N 1 2 312.410 0.504 10 0 DCAELO COC(=O)C1([NH2+]C[C@@H](O)CN2CCCC2=O)CCCCCC1 ZINC000154833849 522856300 /nfs/dbraw/zinc/85/63/00/522856300.db2.gz IMIWECPMIYPKSF-CYBMUJFWSA-N 1 2 312.410 0.825 10 0 DCAELO CCn1cc([C@@H]2C[N@H+](CCCC(=O)NC(N)=O)CCO2)cn1 ZINC000190802574 523466692 /nfs/dbraw/zinc/46/66/92/523466692.db2.gz MWNWQUHMKWYAPY-LBPRGKRZSA-N 1 2 309.370 0.251 10 0 DCAELO CCn1cc([C@@H]2C[N@@H+](CCCC(=O)NC(N)=O)CCO2)cn1 ZINC000190802574 523466699 /nfs/dbraw/zinc/46/66/99/523466699.db2.gz MWNWQUHMKWYAPY-LBPRGKRZSA-N 1 2 309.370 0.251 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)c2cccc(-n3ccnn3)c2)C1 ZINC000124873859 523950060 /nfs/dbraw/zinc/95/00/60/523950060.db2.gz KDAAHRXEQQKYEV-CQSZACIVSA-N 1 2 301.350 0.328 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)c2cccc(-n3ccnn3)c2)C1 ZINC000124873859 523950063 /nfs/dbraw/zinc/95/00/63/523950063.db2.gz KDAAHRXEQQKYEV-CQSZACIVSA-N 1 2 301.350 0.328 10 0 DCAELO C[C@@H](C[NH+]1CCN(Cc2ccon2)CC1)CS(C)(=O)=O ZINC000119436698 524621287 /nfs/dbraw/zinc/62/12/87/524621287.db2.gz VHLIEJUTKYMTOW-LBPRGKRZSA-N 1 2 301.412 0.473 10 0 DCAELO C[C@@H](c1ccccn1)[N@H+](C)CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000245549036 526112225 /nfs/dbraw/zinc/11/22/25/526112225.db2.gz YQMJGBKOCAGVDO-QWHCGFSZSA-N 1 2 304.394 0.798 10 0 DCAELO C[C@@H](c1ccccn1)[N@@H+](C)CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000245549036 526112234 /nfs/dbraw/zinc/11/22/34/526112234.db2.gz YQMJGBKOCAGVDO-QWHCGFSZSA-N 1 2 304.394 0.798 10 0 DCAELO O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)N1CC(CO)C1 ZINC000191040214 526579460 /nfs/dbraw/zinc/57/94/60/526579460.db2.gz YUKCBAGDHQYECV-MRXNPFEDSA-N 1 2 319.405 0.694 10 0 DCAELO NC(=O)c1ccc(NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)cn1 ZINC000189302271 527062531 /nfs/dbraw/zinc/06/25/31/527062531.db2.gz IAMNQEWCOWLPCM-AWEZNQCLSA-N 1 2 318.377 0.762 10 0 DCAELO NC(=O)c1ccc(NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)cn1 ZINC000189302271 527062537 /nfs/dbraw/zinc/06/25/37/527062537.db2.gz IAMNQEWCOWLPCM-AWEZNQCLSA-N 1 2 318.377 0.762 10 0 DCAELO CC(=O)[C@@](C)(O)C[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000330867656 527138650 /nfs/dbraw/zinc/13/86/50/527138650.db2.gz YDHPXAASVBHVNH-INIZCTEOSA-N 1 2 308.353 0.924 10 0 DCAELO CC(=O)[C@](C)(O)C[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000330838960 527154846 /nfs/dbraw/zinc/15/48/46/527154846.db2.gz MRZJXMAVJOGNLE-MRXNPFEDSA-N 1 2 308.353 0.924 10 0 DCAELO CCc1nc(CN2CC[NH+](C[C@@H](O)C(F)(F)F)CC2)no1 ZINC000121630296 536136615 /nfs/dbraw/zinc/13/66/15/536136615.db2.gz SGUZHJJQEGKRMD-SECBINFHSA-N 1 2 308.304 0.673 10 0 DCAELO CCc1ccc(CC(=O)NC[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000132527179 545794763 /nfs/dbraw/zinc/79/47/63/545794763.db2.gz XWVJMXDKWPHPOV-MRXNPFEDSA-N 1 2 306.406 0.601 10 0 DCAELO CCOc1cnc(C(=O)N2CC[N@H+](CCOC)[C@H](C)C2)cn1 ZINC000189660258 545921630 /nfs/dbraw/zinc/92/16/30/545921630.db2.gz VTRSAXBREQKRQR-GFCCVEGCSA-N 1 2 308.382 0.668 10 0 DCAELO CCOc1cnc(C(=O)N2CC[N@@H+](CCOC)[C@H](C)C2)cn1 ZINC000189660258 545921636 /nfs/dbraw/zinc/92/16/36/545921636.db2.gz VTRSAXBREQKRQR-GFCCVEGCSA-N 1 2 308.382 0.668 10 0 DCAELO CC[N@@H+]1CCO[C@H](CNc2nc(C)c(S(N)(=O)=O)s2)C1 ZINC000312481592 546023166 /nfs/dbraw/zinc/02/31/66/546023166.db2.gz HKWKPVHXKDUZFH-SECBINFHSA-N 1 2 320.440 0.232 10 0 DCAELO CC[N@H+]1CCO[C@H](CNc2nc(C)c(S(N)(=O)=O)s2)C1 ZINC000312481592 546023175 /nfs/dbraw/zinc/02/31/75/546023175.db2.gz HKWKPVHXKDUZFH-SECBINFHSA-N 1 2 320.440 0.232 10 0 DCAELO O=S(=O)(N1CCCC1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000329741299 546054607 /nfs/dbraw/zinc/05/46/07/546054607.db2.gz OMZREZXQKRXBBN-CQSZACIVSA-N 1 2 317.455 0.514 10 0 DCAELO [NH3+][C@@]1(c2ncc(Br)cn2)CCCS(=O)(=O)C1 ZINC000675074550 547659134 /nfs/dbraw/zinc/65/91/34/547659134.db2.gz ZNBPPCSCIZIOOC-VIFPVBQESA-N 1 2 306.185 0.602 10 0 DCAELO CCOCCNC(=O)CN1C[C@H](OC)C[C@H]1c1[nH]c(C)c(C)[nH+]1 ZINC000888102963 661182905 /nfs/dbraw/zinc/18/29/05/661182905.db2.gz WYIFGTIALURWTF-KGLIPLIRSA-N 1 2 324.425 0.941 10 0 DCAELO COC(=O)[C@H]1CC(=O)N(C[N@H+](C)CCc2ncc(C)s2)C1 ZINC000181391329 665569264 /nfs/dbraw/zinc/56/92/64/665569264.db2.gz SFEMODPAPJCOEX-NSHDSACASA-N 1 2 311.407 0.905 10 0 DCAELO COC(=O)[C@H]1CC(=O)N(C[N@@H+](C)CCc2ncc(C)s2)C1 ZINC000181391329 665569265 /nfs/dbraw/zinc/56/92/65/665569265.db2.gz SFEMODPAPJCOEX-NSHDSACASA-N 1 2 311.407 0.905 10 0 DCAELO CCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H](O)C(C)(C)O)CC2)cn1 ZINC000900596198 663259048 /nfs/dbraw/zinc/25/90/48/663259048.db2.gz FKVGNOSYMFVBNU-CQSZACIVSA-N 1 2 324.425 0.069 10 0 DCAELO CCn1cc(C[N@H+]2CCCN(C(=O)[C@@H](O)C(C)(C)O)CC2)cn1 ZINC000900596198 663259049 /nfs/dbraw/zinc/25/90/49/663259049.db2.gz FKVGNOSYMFVBNU-CQSZACIVSA-N 1 2 324.425 0.069 10 0 DCAELO COC(=O)c1cn(C[N@@H+]2CCC[C@H](Cc3noc(C)n3)C2)nn1 ZINC000171357597 664607606 /nfs/dbraw/zinc/60/76/06/664607606.db2.gz OOCSPFLYJQBLKN-LLVKDONJSA-N 1 2 320.353 0.668 10 0 DCAELO COC(=O)c1cn(C[N@H+]2CCC[C@H](Cc3noc(C)n3)C2)nn1 ZINC000171357597 664607607 /nfs/dbraw/zinc/60/76/07/664607607.db2.gz OOCSPFLYJQBLKN-LLVKDONJSA-N 1 2 320.353 0.668 10 0 DCAELO CN(C)c1ccc([NH+]2CCC(NC(=O)CNC(N)=O)CC2)cc1 ZINC000174261938 664638175 /nfs/dbraw/zinc/63/81/75/664638175.db2.gz VIFGCXZFRCFRKE-UHFFFAOYSA-N 1 2 319.409 0.506 10 0 DCAELO COC(=O)c1cn(CN2CCc3c([nH+]c(C(C)C)n3C)C2)nn1 ZINC000153027132 664787493 /nfs/dbraw/zinc/78/74/93/664787493.db2.gz NZYPWVKPQGUJEP-UHFFFAOYSA-N 1 2 318.381 0.937 10 0 DCAELO COC(=O)c1ncn(CN2CCc3c([nH+]c(C(C)C)n3C)C2)n1 ZINC000153039998 664788251 /nfs/dbraw/zinc/78/82/51/664788251.db2.gz VGIGDOAYQJFQGG-UHFFFAOYSA-N 1 2 318.381 0.937 10 0 DCAELO CC[S@](=O)CCNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000741421850 664838459 /nfs/dbraw/zinc/83/84/59/664838459.db2.gz RFEQTRHOSLNYBD-ASSNKEHSSA-N 1 2 317.455 0.261 10 0 DCAELO Cn1cc(C[N@@H+]2C[C@H](O)C[C@]2(C)CO)c(Br)n1 ZINC000714096332 670178037 /nfs/dbraw/zinc/17/80/37/670178037.db2.gz LBWISHYDSIUGBM-MWLCHTKSSA-N 1 2 304.188 0.500 10 0 DCAELO Cn1cc(C[N@H+]2C[C@H](O)C[C@]2(C)CO)c(Br)n1 ZINC000714096332 670178039 /nfs/dbraw/zinc/17/80/39/670178039.db2.gz LBWISHYDSIUGBM-MWLCHTKSSA-N 1 2 304.188 0.500 10 0 DCAELO COC[C@]1(C)NC(=O)N(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)C1=O ZINC000247028060 685168895 /nfs/dbraw/zinc/16/88/95/685168895.db2.gz NFMUVMNKHZMPKX-ABAIWWIYSA-N 1 2 321.381 0.124 10 0 DCAELO COC[C@]1(C)NC(=O)N(C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)C1=O ZINC000247028060 685168901 /nfs/dbraw/zinc/16/89/01/685168901.db2.gz NFMUVMNKHZMPKX-ABAIWWIYSA-N 1 2 321.381 0.124 10 0 DCAELO OC[C@@H]1CCCN1c1cc(N2CCO[C@@H](C(F)F)C2)[nH+]cn1 ZINC000249280601 685178926 /nfs/dbraw/zinc/17/89/26/685178926.db2.gz MNWQJKYCTOKBBF-WDEREUQCSA-N 1 2 314.336 0.908 10 0 DCAELO OC[C@@H]1CCCN1c1cc(N2CCO[C@@H](C(F)F)C2)nc[nH+]1 ZINC000249280601 685178930 /nfs/dbraw/zinc/17/89/30/685178930.db2.gz MNWQJKYCTOKBBF-WDEREUQCSA-N 1 2 314.336 0.908 10 0 DCAELO O=C(CCCn1cc[nH+]c1)NCCNC(=O)c1ccccc1O ZINC000155921105 1180556264 /nfs/dbraw/zinc/55/62/64/1180556264.db2.gz LTMPHCLJBTYGTH-UHFFFAOYSA-N 1 2 316.361 0.915 10 0 DCAELO Cn1cc[nH+]c1[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)CCN1C ZINC000328636874 231272812 /nfs/dbraw/zinc/27/28/12/231272812.db2.gz VSTDQOCBHKJVTN-ZDUSSCGKSA-N 1 2 314.393 0.761 10 0 DCAELO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)NCCC2=CCCC2)CCO1 ZINC000275788614 529851770 /nfs/dbraw/zinc/85/17/70/529851770.db2.gz UAQCKXJOFBPCQI-CQSZACIVSA-N 1 2 324.425 0.314 10 0 DCAELO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)NCCC2=CCCC2)CCO1 ZINC000275788614 529851772 /nfs/dbraw/zinc/85/17/72/529851772.db2.gz UAQCKXJOFBPCQI-CQSZACIVSA-N 1 2 324.425 0.314 10 0 DCAELO CNC(=O)[C@@H](NC(=O)NCCCNc1cccc[nH+]1)C(C)C ZINC000178434472 529897005 /nfs/dbraw/zinc/89/70/05/529897005.db2.gz KQWYIXVJARKQRI-ZDUSSCGKSA-N 1 2 307.398 0.953 10 0 DCAELO CNC(=O)[C@H](NC(=O)NCCc1cn2ccccc2[nH+]1)C(C)C ZINC000178422987 529919687 /nfs/dbraw/zinc/91/96/87/529919687.db2.gz JRNVHWSQYOEYGW-CQSZACIVSA-N 1 2 317.393 0.947 10 0 DCAELO CN(Cc1nc(C2CCCC2)no1)C[C@@H](O)C[NH+]1CCOCC1 ZINC000155268939 530022440 /nfs/dbraw/zinc/02/24/40/530022440.db2.gz PGMCUWYLYHOCDK-CQSZACIVSA-N 1 2 324.425 0.852 10 0 DCAELO CC[C@@H](O)C[NH+]1CCN(C(=O)N[C@H](C)Cc2cc(C)[nH]n2)CC1 ZINC000182013938 199374226 /nfs/dbraw/zinc/37/42/26/199374226.db2.gz FFOJXQJCRSOYHZ-IUODEOHRSA-N 1 2 323.441 0.747 10 0 DCAELO CCn1nc(C)c(C(=O)NC[C@@H]2C[N@H+](C)CCO2)c1Cl ZINC000173338325 186178344 /nfs/dbraw/zinc/17/83/44/186178344.db2.gz QNUCZCAKMHJNPA-SNVBAGLBSA-N 1 2 300.790 0.925 10 0 DCAELO CCn1nc(C)c(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1Cl ZINC000173338325 186178346 /nfs/dbraw/zinc/17/83/46/186178346.db2.gz QNUCZCAKMHJNPA-SNVBAGLBSA-N 1 2 300.790 0.925 10 0 DCAELO Cc1cnn([C@H]2CCCN(C(=O)NC[C@H]3C[N@H+](C)CCO3)C2)c1 ZINC000171907380 198006475 /nfs/dbraw/zinc/00/64/75/198006475.db2.gz ULUNYDMBDRVHBI-GJZGRUSLSA-N 1 2 321.425 0.869 10 0 DCAELO Cc1cnn([C@H]2CCCN(C(=O)NC[C@H]3C[N@@H+](C)CCO3)C2)c1 ZINC000171907380 198006477 /nfs/dbraw/zinc/00/64/77/198006477.db2.gz ULUNYDMBDRVHBI-GJZGRUSLSA-N 1 2 321.425 0.869 10 0 DCAELO C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CCS1(=O)=O ZINC000172375164 198087993 /nfs/dbraw/zinc/08/79/93/198087993.db2.gz RTFJXIBIVRNRNP-TZMCWYRMSA-N 1 2 310.419 0.935 10 0 DCAELO CCc1nc(C2([NH2+]CCN3C(=O)CNC3=O)CCCC2)no1 ZINC000173692226 198241427 /nfs/dbraw/zinc/24/14/27/198241427.db2.gz CWTXJDUCOIHMCP-UHFFFAOYSA-N 1 2 307.354 0.543 10 0 DCAELO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2)C[C@@H]1[NH+]1CCOCC1 ZINC000173958133 198273277 /nfs/dbraw/zinc/27/32/77/198273277.db2.gz HBKOWKQFIFQFNU-HIFRSBDPSA-N 1 2 317.389 0.804 10 0 DCAELO O=C(N[C@H]1CCc2c[nH]nc2C1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000374567848 295901865 /nfs/dbraw/zinc/90/18/65/295901865.db2.gz GDSHPVMEGWSFEO-UONOGXRCSA-N 1 2 319.409 0.383 10 0 DCAELO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(S(C)(=O)=O)o3)[C@H]2C1 ZINC000408143767 283150233 /nfs/dbraw/zinc/15/02/33/283150233.db2.gz BWAZBCSSXSXZOO-QWRGUYRKSA-N 1 2 312.391 0.849 10 0 DCAELO C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(S(C)(=O)=O)o3)[C@H]2C1 ZINC000408143767 283150237 /nfs/dbraw/zinc/15/02/37/283150237.db2.gz BWAZBCSSXSXZOO-QWRGUYRKSA-N 1 2 312.391 0.849 10 0 DCAELO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1cn(C)c(=O)n(C)c1=O ZINC000179969539 199100482 /nfs/dbraw/zinc/10/04/82/199100482.db2.gz BQVCADAZRPSVTH-SNVBAGLBSA-N 1 2 311.382 0.246 10 0 DCAELO C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1cn(C)c(=O)n(C)c1=O ZINC000179969539 199100483 /nfs/dbraw/zinc/10/04/83/199100483.db2.gz BQVCADAZRPSVTH-SNVBAGLBSA-N 1 2 311.382 0.246 10 0 DCAELO CCCN1CCC[N@H+](CC2CCS(=O)(=O)CC2)CC1=O ZINC000365076870 283330396 /nfs/dbraw/zinc/33/03/96/283330396.db2.gz IAVSINBQWHYNIV-UHFFFAOYSA-N 1 2 302.440 0.756 10 0 DCAELO CCCN1CCC[N@@H+](CC2CCS(=O)(=O)CC2)CC1=O ZINC000365076870 283330400 /nfs/dbraw/zinc/33/04/00/283330400.db2.gz IAVSINBQWHYNIV-UHFFFAOYSA-N 1 2 302.440 0.756 10 0 DCAELO C[C@@H](O)C[NH+]1CCN(C(=O)CSC[C@@H]2CCCCO2)CC1 ZINC000186834063 200018682 /nfs/dbraw/zinc/01/86/82/200018682.db2.gz SRPHXMRXLHBJIB-KGLIPLIRSA-N 1 2 316.467 0.814 10 0 DCAELO Cc1cc(C(C)C)nc(N2CC[NH+]([C@@H]3CCNC3=O)CC2)n1 ZINC000186879544 237331654 /nfs/dbraw/zinc/33/16/54/237331654.db2.gz NDGFJIVILIJZJS-CQSZACIVSA-N 1 2 303.410 0.919 10 0 DCAELO CC[C@H]1C[N@H+](CC(=O)NC[C@@H]2CCCO2)CCN1CC(F)F ZINC000153615903 291207814 /nfs/dbraw/zinc/20/78/14/291207814.db2.gz ZXNGITGJJWUDHA-STQMWFEESA-N 1 2 319.396 0.943 10 0 DCAELO CC[C@H]1C[N@@H+](CC(=O)NC[C@@H]2CCCO2)CCN1CC(F)F ZINC000153615903 291207816 /nfs/dbraw/zinc/20/78/16/291207816.db2.gz ZXNGITGJJWUDHA-STQMWFEESA-N 1 2 319.396 0.943 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)CCc2ccccc2)CC[N@@H+]1CCO ZINC000188731807 200295159 /nfs/dbraw/zinc/29/51/59/200295159.db2.gz DSNRRNSXSVOHHW-CQSZACIVSA-N 1 2 312.435 0.557 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)CCc2ccccc2)CC[N@H+]1CCO ZINC000188731807 200295161 /nfs/dbraw/zinc/29/51/61/200295161.db2.gz DSNRRNSXSVOHHW-CQSZACIVSA-N 1 2 312.435 0.557 10 0 DCAELO CN(C)C(=O)c1ccc(OC[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000154375222 291213065 /nfs/dbraw/zinc/21/30/65/291213065.db2.gz CXRGLFAERIYKPG-CQSZACIVSA-N 1 2 308.378 0.460 10 0 DCAELO Cc1ccc(C(=O)N(C)C)cc1OC[C@H](O)C[NH+]1CCOCC1 ZINC000154353435 291213094 /nfs/dbraw/zinc/21/30/94/291213094.db2.gz RLVQEJOKRYOWHP-OAHLLOKOSA-N 1 2 322.405 0.769 10 0 DCAELO CN(C)C(=O)c1cccc(OC[C@H](O)C[NH+]2CCOCC2)c1 ZINC000154338586 291213257 /nfs/dbraw/zinc/21/32/57/291213257.db2.gz PXARYRUSYABQCK-CQSZACIVSA-N 1 2 308.378 0.460 10 0 DCAELO C[C@@H]1C[N@@H+](C[C@H](O)COC[C@@H]2CCCO2)C[C@H](C)[S@@]1=O ZINC000566772854 291322225 /nfs/dbraw/zinc/32/22/25/291322225.db2.gz JLGHGHNSAULNRG-ZUUKQHBVSA-N 1 2 305.440 0.384 10 0 DCAELO C[C@@H]1C[N@H+](C[C@H](O)COC[C@@H]2CCCO2)C[C@H](C)[S@@]1=O ZINC000566772854 291322229 /nfs/dbraw/zinc/32/22/29/291322229.db2.gz JLGHGHNSAULNRG-ZUUKQHBVSA-N 1 2 305.440 0.384 10 0 DCAELO C[C@H](CNC(=O)c1cn(C)nc1[C@H]1CCOC1)[NH+]1CCOCC1 ZINC000275255893 212228954 /nfs/dbraw/zinc/22/89/54/212228954.db2.gz HDFIJKKJLIIJAY-OLZOCXBDSA-N 1 2 322.409 0.375 10 0 DCAELO O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172747632 296159162 /nfs/dbraw/zinc/15/91/62/296159162.db2.gz NQRHETHOVMEXKB-GFCCVEGCSA-N 1 2 304.394 0.835 10 0 DCAELO C[C@@H]1C(=O)NCCC[N@H+]1CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000249023563 296260203 /nfs/dbraw/zinc/26/02/03/296260203.db2.gz KNUMPGKJLQMPJW-HZSPNIEDSA-N 1 2 309.410 0.367 10 0 DCAELO C[C@@H]1C(=O)NCCC[N@@H+]1CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000249023563 296260205 /nfs/dbraw/zinc/26/02/05/296260205.db2.gz KNUMPGKJLQMPJW-HZSPNIEDSA-N 1 2 309.410 0.367 10 0 DCAELO CNC(=O)c1cccc(CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000104797097 194041158 /nfs/dbraw/zinc/04/11/58/194041158.db2.gz SUWPNFIQGPOCRK-CQSZACIVSA-N 1 2 320.393 0.176 10 0 DCAELO CNC(=O)c1cccc(CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000104797097 194041160 /nfs/dbraw/zinc/04/11/60/194041160.db2.gz SUWPNFIQGPOCRK-CQSZACIVSA-N 1 2 320.393 0.176 10 0 DCAELO CN(C)C(=O)COC[C@@H]1CCOC12C[NH+](Cc1ccco1)C2 ZINC000247999114 257112092 /nfs/dbraw/zinc/11/20/92/257112092.db2.gz NFSZDOYGTGMZJX-ZDUSSCGKSA-N 1 2 308.378 0.975 10 0 DCAELO COCC[N@@H+]1CCO[C@@H]2CN(C(=O)c3ccncc3F)C[C@@H]21 ZINC000247814058 257117218 /nfs/dbraw/zinc/11/72/18/257117218.db2.gz ABDPUCPQZOWNNE-UONOGXRCSA-N 1 2 309.341 0.392 10 0 DCAELO COCC[N@H+]1CCO[C@@H]2CN(C(=O)c3ccncc3F)C[C@@H]21 ZINC000247814058 257117219 /nfs/dbraw/zinc/11/72/19/257117219.db2.gz ABDPUCPQZOWNNE-UONOGXRCSA-N 1 2 309.341 0.392 10 0 DCAELO CN(CC[NH+]1CCOCC1)C(=O)c1cn(C)nc1[C@H]1CCOC1 ZINC000275438322 130321314 /nfs/dbraw/zinc/32/13/14/130321314.db2.gz FQHMOLHZYAUWLU-ZDUSSCGKSA-N 1 2 322.409 0.328 10 0 DCAELO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)c1ccon1 ZINC000275537564 130333443 /nfs/dbraw/zinc/33/34/43/130333443.db2.gz FEEINHVTJIUYPG-QWRGUYRKSA-N 1 2 307.329 0.751 10 0 DCAELO Cc1cc(CS(=O)(=O)NCC[N@@H+]2CCCOCC2)no1 ZINC000275680421 130361125 /nfs/dbraw/zinc/36/11/25/130361125.db2.gz YWJBEZQILRLFEV-UHFFFAOYSA-N 1 2 303.384 0.125 10 0 DCAELO Cc1cc(CS(=O)(=O)NCC[N@H+]2CCCOCC2)no1 ZINC000275680421 130361130 /nfs/dbraw/zinc/36/11/30/130361130.db2.gz YWJBEZQILRLFEV-UHFFFAOYSA-N 1 2 303.384 0.125 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)CNC(=O)c3cccs3)C[C@@H]21 ZINC000283958022 131036537 /nfs/dbraw/zinc/03/65/37/131036537.db2.gz GIHKTYVWNFEMRD-NWDGAFQWSA-N 1 2 323.418 0.409 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)CNC(=O)c3cccs3)C[C@@H]21 ZINC000283958022 131036540 /nfs/dbraw/zinc/03/65/40/131036540.db2.gz GIHKTYVWNFEMRD-NWDGAFQWSA-N 1 2 323.418 0.409 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCCc3cccnc3)C[C@@H]21 ZINC000284214097 131059859 /nfs/dbraw/zinc/05/98/59/131059859.db2.gz ZRLKFGGLBZBCLI-LSDHHAIUSA-N 1 2 304.394 0.739 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCCc3cccnc3)C[C@@H]21 ZINC000284214097 131059861 /nfs/dbraw/zinc/05/98/61/131059861.db2.gz ZRLKFGGLBZBCLI-LSDHHAIUSA-N 1 2 304.394 0.739 10 0 DCAELO CC(=O)Nc1nc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)cs1 ZINC000284434318 131080797 /nfs/dbraw/zinc/08/07/97/131080797.db2.gz JKRCJEAWPGNTQV-NEPJUHHUSA-N 1 2 324.406 0.647 10 0 DCAELO CC(=O)Nc1nc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)cs1 ZINC000284434318 131080799 /nfs/dbraw/zinc/08/07/99/131080799.db2.gz JKRCJEAWPGNTQV-NEPJUHHUSA-N 1 2 324.406 0.647 10 0 DCAELO CN(C)C(=O)COC[C@@H]1C[N@H+](Cc2cc[nH]n2)CC(C)(C)O1 ZINC000284663811 131102144 /nfs/dbraw/zinc/10/21/44/131102144.db2.gz YCEHHRKIGWMQEM-ZDUSSCGKSA-N 1 2 310.398 0.494 10 0 DCAELO CN(C)C(=O)COC[C@@H]1C[N@@H+](Cc2cc[nH]n2)CC(C)(C)O1 ZINC000284663811 131102145 /nfs/dbraw/zinc/10/21/45/131102145.db2.gz YCEHHRKIGWMQEM-ZDUSSCGKSA-N 1 2 310.398 0.494 10 0 DCAELO Cc1c[nH+]c(N[C@@H]2CCN(C)C2=O)nc1N[C@@H]1CCN(C)C1=O ZINC000085687776 395701675 /nfs/dbraw/zinc/70/16/75/395701675.db2.gz CSJNADXKGUXYNO-GHMZBOCLSA-N 1 2 318.381 0.070 10 0 DCAELO CN(Cc1nnc(C2CC2)n1C)[C@H]1CC[N@@H+]([C@@H]2CCOC2=O)C1 ZINC000089741291 395714187 /nfs/dbraw/zinc/71/41/87/395714187.db2.gz RPRZQOAHHLTUMO-QWHCGFSZSA-N 1 2 319.409 0.514 10 0 DCAELO CN(Cc1nnc(C2CC2)n1C)[C@H]1CC[N@H+]([C@@H]2CCOC2=O)C1 ZINC000089741291 395714190 /nfs/dbraw/zinc/71/41/90/395714190.db2.gz RPRZQOAHHLTUMO-QWHCGFSZSA-N 1 2 319.409 0.514 10 0 DCAELO Cn1c(C[N@H+](C)[C@H]2CCN([C@@H]3CCOC3=O)C2)nnc1C1CC1 ZINC000089741291 395714191 /nfs/dbraw/zinc/71/41/91/395714191.db2.gz RPRZQOAHHLTUMO-QWHCGFSZSA-N 1 2 319.409 0.514 10 0 DCAELO Cn1c(C[N@@H+](C)[C@H]2CCN([C@@H]3CCOC3=O)C2)nnc1C1CC1 ZINC000089741291 395714194 /nfs/dbraw/zinc/71/41/94/395714194.db2.gz RPRZQOAHHLTUMO-QWHCGFSZSA-N 1 2 319.409 0.514 10 0 DCAELO COc1ccccc1CNC(=O)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000027565594 395695090 /nfs/dbraw/zinc/69/50/90/395695090.db2.gz OYGVKRCSHDRWRO-CQSZACIVSA-N 1 2 319.405 0.864 10 0 DCAELO COc1ccccc1CNC(=O)C[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000027565594 395695091 /nfs/dbraw/zinc/69/50/91/395695091.db2.gz OYGVKRCSHDRWRO-CQSZACIVSA-N 1 2 319.405 0.864 10 0 DCAELO O=c1c(Br)ccccc1N1CC[NH+](CCO)CC1 ZINC000027997025 395695561 /nfs/dbraw/zinc/69/55/61/395695561.db2.gz PNEVCPRHIATQEM-UHFFFAOYSA-N 1 2 313.195 0.924 10 0 DCAELO C[C@@H]1CC[C@H](C)[N@H+](Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C1 ZINC000095975832 395741099 /nfs/dbraw/zinc/74/10/99/395741099.db2.gz BOFQJGOAJTUYSV-ZJUUUORDSA-N 1 2 305.382 0.581 10 0 DCAELO C[C@@H]1CC[C@H](C)[N@@H+](Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C1 ZINC000095975832 395741101 /nfs/dbraw/zinc/74/11/01/395741101.db2.gz BOFQJGOAJTUYSV-ZJUUUORDSA-N 1 2 305.382 0.581 10 0 DCAELO COc1cccc([C@H]2C[C@@H]2C(=O)N2CC[NH+](CCO)CC2)c1 ZINC000106929282 395784685 /nfs/dbraw/zinc/78/46/85/395784685.db2.gz AMPCCNROTIMMLL-CVEARBPZSA-N 1 2 304.390 0.935 10 0 DCAELO Cc1ccccc1[C@@H](O)CNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000112391109 395817461 /nfs/dbraw/zinc/81/74/61/395817461.db2.gz SFVWMXXQJXJMOD-HIFRSBDPSA-N 1 2 307.394 0.658 10 0 DCAELO Cc1ccccc1[C@@H](O)CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000112391109 395817462 /nfs/dbraw/zinc/81/74/62/395817462.db2.gz SFVWMXXQJXJMOD-HIFRSBDPSA-N 1 2 307.394 0.658 10 0 DCAELO CO[C@H](C)CS(=O)(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000195453465 395827795 /nfs/dbraw/zinc/82/77/95/395827795.db2.gz SMKLCMBQCPMGJT-CYBMUJFWSA-N 1 2 313.423 0.958 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)c2cc3c([nH]c2=O)CCCC3)C1 ZINC000109264608 395797010 /nfs/dbraw/zinc/79/70/10/395797010.db2.gz HRNKCCDBHWVFTR-GFCCVEGCSA-N 1 2 305.378 0.314 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)c2cc3c([nH]c2=O)CCCC3)C1 ZINC000109264608 395797013 /nfs/dbraw/zinc/79/70/13/395797013.db2.gz HRNKCCDBHWVFTR-GFCCVEGCSA-N 1 2 305.378 0.314 10 0 DCAELO C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+]1CCNC(=O)CC1 ZINC000126183876 395910800 /nfs/dbraw/zinc/91/08/00/395910800.db2.gz CORYYGHLWJWSPE-GXTWGEPZSA-N 1 2 317.389 0.837 10 0 DCAELO C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+]1CCNC(=O)CC1 ZINC000126183876 395910802 /nfs/dbraw/zinc/91/08/02/395910802.db2.gz CORYYGHLWJWSPE-GXTWGEPZSA-N 1 2 317.389 0.837 10 0 DCAELO COC(=O)C1(C(=O)N2CCN(Cc3[nH+]ccn3C)CC2)CC1 ZINC000127430703 395915780 /nfs/dbraw/zinc/91/57/80/395915780.db2.gz 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/nfs/dbraw/zinc/05/63/75/396056375.db2.gz SWAOWZFJLPYFPI-VJBOLBCHSA-N 1 2 324.450 0.785 10 0 DCAELO C[C@@H]1CCN(c2cc(N3CCC[C@@H]3CO)nc[nH+]2)CC[S@@]1=O ZINC000277231549 396056379 /nfs/dbraw/zinc/05/63/79/396056379.db2.gz SWAOWZFJLPYFPI-VJBOLBCHSA-N 1 2 324.450 0.785 10 0 DCAELO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000249289341 396005524 /nfs/dbraw/zinc/00/55/24/396005524.db2.gz JXVYATSFWRFXNS-IEBDPFPHSA-N 1 2 300.305 0.719 10 0 DCAELO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000249289341 396005527 /nfs/dbraw/zinc/00/55/27/396005527.db2.gz JXVYATSFWRFXNS-IEBDPFPHSA-N 1 2 300.305 0.719 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(N3CCCC3)nn2)C1 ZINC000171300618 396113338 /nfs/dbraw/zinc/11/33/38/396113338.db2.gz AUDCQJHZSLFHJY-LBPRGKRZSA-N 1 2 305.382 0.137 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(N3CCCC3)nn2)C1 ZINC000171300618 396113340 /nfs/dbraw/zinc/11/33/40/396113340.db2.gz AUDCQJHZSLFHJY-LBPRGKRZSA-N 1 2 305.382 0.137 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)Nc2cc(C(N)=O)ccc2F)C1 ZINC000171705798 396122338 /nfs/dbraw/zinc/12/23/38/396122338.db2.gz YRLVNNKUOXOVSN-SNVBAGLBSA-N 1 2 310.329 0.377 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)Nc2cc(C(N)=O)ccc2F)C1 ZINC000171705798 396122343 /nfs/dbraw/zinc/12/23/43/396122343.db2.gz YRLVNNKUOXOVSN-SNVBAGLBSA-N 1 2 310.329 0.377 10 0 DCAELO C[C@@H]1CN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)CC[S@](=O)C1 ZINC000277570386 396074951 /nfs/dbraw/zinc/07/49/51/396074951.db2.gz BAYAPTSIAIONFW-IFMYKAFSSA-N 1 2 324.450 0.643 10 0 DCAELO C[C@@H]1CN(c2cc(N3CCC[C@H]3CO)nc[nH+]2)CC[S@](=O)C1 ZINC000277570386 396074953 /nfs/dbraw/zinc/07/49/53/396074953.db2.gz BAYAPTSIAIONFW-IFMYKAFSSA-N 1 2 324.450 0.643 10 0 DCAELO CC(C)N1CCC[C@H]([NH+]2CCN(c3cccnn3)CC2)C1=O ZINC000177700243 396181838 /nfs/dbraw/zinc/18/18/38/396181838.db2.gz JKSYXBJVEANWLA-AWEZNQCLSA-N 1 2 303.410 0.998 10 0 DCAELO CN(Cc1ccccc1)C(=O)CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262987442 396196551 /nfs/dbraw/zinc/19/65/51/396196551.db2.gz NHWVFKVSPBPGMM-LBPRGKRZSA-N 1 2 311.332 0.758 10 0 DCAELO O=C(NCCn1c(=O)[nH]c2ccccc21)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263053785 396199812 /nfs/dbraw/zinc/19/98/12/396199812.db2.gz UTEFCXIWXDURKW-JTQLQIEISA-N 1 2 310.304 0.443 10 0 DCAELO O=C(NCCCn1ccnn1)N1CCN(c2cccc[nH+]2)CC1 ZINC000183552195 396271099 /nfs/dbraw/zinc/27/10/99/396271099.db2.gz MEYFHWCLAZRXCX-UHFFFAOYSA-N 1 2 315.381 0.595 10 0 DCAELO CCC(C)(C)NC(=O)C[NH+]1CCN(c2cc(OC)ncn2)CC1 ZINC000184073164 396283169 /nfs/dbraw/zinc/28/31/69/396283169.db2.gz QHQSSNJJWBEHRM-UHFFFAOYSA-N 1 2 321.425 0.912 10 0 DCAELO CN(C)C(=O)C1(CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)CCCC1 ZINC000263317951 396213431 /nfs/dbraw/zinc/21/34/31/396213431.db2.gz ZTQDJTVBHCUMGM-JTQLQIEISA-N 1 2 303.353 0.748 10 0 DCAELO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1CO)Nc1ccc(F)c(Cl)c1 ZINC000179185011 396224153 /nfs/dbraw/zinc/22/41/53/396224153.db2.gz GKWANHCXOAJQNP-ZJUUUORDSA-N 1 2 302.733 0.845 10 0 DCAELO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1CO)Nc1ccc(F)c(Cl)c1 ZINC000179185011 396224155 /nfs/dbraw/zinc/22/41/55/396224155.db2.gz GKWANHCXOAJQNP-ZJUUUORDSA-N 1 2 302.733 0.845 10 0 DCAELO C[C@@H](CO)[C@H](C)NC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000077772732 396232605 /nfs/dbraw/zinc/23/26/05/396232605.db2.gz PKZCDKJRSUNBLY-STQMWFEESA-N 1 2 322.409 0.734 10 0 DCAELO CN(C)c1[nH+]cccc1CNC(=O)N1CCO[C@]2(CCOC2)C1 ZINC000184399048 396294350 /nfs/dbraw/zinc/29/43/50/396294350.db2.gz MXIZJZSQTADGHQ-MRXNPFEDSA-N 1 2 320.393 0.849 10 0 DCAELO O=C(C[NH+]1CCN(C[C@@H](O)C(F)(F)F)CC1)N1CCCCC1 ZINC000185143717 396319939 /nfs/dbraw/zinc/31/99/39/396319939.db2.gz BGOUGKBWVFHBRZ-GFCCVEGCSA-N 1 2 323.359 0.540 10 0 DCAELO Cn1nnc2ccc(C(=O)N3CC[C@@H]4OCC[N@H+](C)[C@H]4C3)cc21 ZINC000284167705 396344828 /nfs/dbraw/zinc/34/48/28/396344828.db2.gz RJJHHXRXOSQDFP-GJZGRUSLSA-N 1 2 315.377 0.513 10 0 DCAELO Cn1nnc2ccc(C(=O)N3CC[C@@H]4OCC[N@@H+](C)[C@H]4C3)cc21 ZINC000284167705 396344830 /nfs/dbraw/zinc/34/48/30/396344830.db2.gz RJJHHXRXOSQDFP-GJZGRUSLSA-N 1 2 315.377 0.513 10 0 DCAELO O=C(N[C@@H]1CCc2ncnn2C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000265753858 396341397 /nfs/dbraw/zinc/34/13/97/396341397.db2.gz PTGRFTRJKKGGES-NWDGAFQWSA-N 1 2 315.381 0.905 10 0 DCAELO C[C@H]1C[N@H+](Cc2cc(-c3cnn(C)c3)no2)CCN1CCO ZINC000187713201 396372953 /nfs/dbraw/zinc/37/29/53/396372953.db2.gz LNULWYNJYFHZEH-LBPRGKRZSA-N 1 2 305.382 0.574 10 0 DCAELO C[C@H]1C[N@@H+](Cc2cc(-c3cnn(C)c3)no2)CCN1CCO ZINC000187713201 396372954 /nfs/dbraw/zinc/37/29/54/396372954.db2.gz LNULWYNJYFHZEH-LBPRGKRZSA-N 1 2 305.382 0.574 10 0 DCAELO CC(=O)N1CC[NH+](CCNC(=O)c2nc(C)sc2C)CC1 ZINC000269691676 396437336 /nfs/dbraw/zinc/43/73/36/396437336.db2.gz FQKDVSNJZABEER-UHFFFAOYSA-N 1 2 310.423 0.654 10 0 DCAELO COc1ccnc(NC2CC[NH+]([C@H](C)c3nnnn3C)CC2)n1 ZINC000192858171 396439037 /nfs/dbraw/zinc/43/90/37/396439037.db2.gz ZBIBMQXXHBZGDV-SNVBAGLBSA-N 1 2 318.385 0.646 10 0 DCAELO C[N@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H]1C[C@@H]1c1ccccc1 ZINC000268973521 396379687 /nfs/dbraw/zinc/37/96/87/396379687.db2.gz OENSDNUCOUYWNS-KFWWJZLASA-N 1 2 322.430 0.778 10 0 DCAELO C[N@@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H]1C[C@@H]1c1ccccc1 ZINC000268973521 396379689 /nfs/dbraw/zinc/37/96/89/396379689.db2.gz OENSDNUCOUYWNS-KFWWJZLASA-N 1 2 322.430 0.778 10 0 DCAELO O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000290478922 396466581 /nfs/dbraw/zinc/46/65/81/396466581.db2.gz VGKDDIZQHSOMAM-ZQDZILKHSA-N 1 2 305.378 0.926 10 0 DCAELO O=C(NCC1([NH+]2CCOCC2)CC1)c1cn2cccnc2n1 ZINC000519502091 396519948 /nfs/dbraw/zinc/51/99/48/396519948.db2.gz XXWMKEKAALEGIP-UHFFFAOYSA-N 1 2 301.350 0.324 10 0 DCAELO CN(CC1CC1)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000562032316 396650753 /nfs/dbraw/zinc/65/07/53/396650753.db2.gz ARQRWUXGUHEABA-CABCVRRESA-N 1 2 323.437 0.614 10 0 DCAELO CCn1ccnc(N2CCN(C)[C@H](c3[nH+]ccn3C)C2)c1=O ZINC000373684976 396606831 /nfs/dbraw/zinc/60/68/31/396606831.db2.gz WIGVMDZOABJFNR-LBPRGKRZSA-N 1 2 302.382 0.490 10 0 DCAELO COC(=O)[C@@H]([NH2+]C[C@@H](O)COC[C@H]1CCCO1)C(C)(C)C ZINC000610989645 396798270 /nfs/dbraw/zinc/79/82/70/396798270.db2.gz RMUNLKGFZMEAEO-JHJVBQTASA-N 1 2 303.399 0.720 10 0 DCAELO Cc1cc(C(=O)N2CCN(C)[C@H](c3[nH]cc[nH+]3)C2)[nH]c(=O)n1 ZINC000328633931 396826616 /nfs/dbraw/zinc/82/66/16/396826616.db2.gz SWNLUOAJJGJYFX-NSHDSACASA-N 1 2 302.338 0.343 10 0 DCAELO C[N@@H+]1CCO[C@H](CN(CC(N)=O)C(=O)CCc2ccoc2)C1 ZINC000328654150 396831446 /nfs/dbraw/zinc/83/14/46/396831446.db2.gz XGNIZHISRCCPDG-ZDUSSCGKSA-N 1 2 309.366 0.907 10 0 DCAELO C[N@H+]1CCO[C@H](CN(CC(N)=O)C(=O)CCc2ccoc2)C1 ZINC000328654150 396831448 /nfs/dbraw/zinc/83/14/48/396831448.db2.gz XGNIZHISRCCPDG-ZDUSSCGKSA-N 1 2 309.366 0.907 10 0 DCAELO O=C1[C@@H]([N@@H+]2CC[C@](O)(C(F)(F)F)C2)CCN1C1CCOCC1 ZINC000328678220 396831678 /nfs/dbraw/zinc/83/16/78/396831678.db2.gz SRDHGIDENMIUNP-WCQYABFASA-N 1 2 322.327 0.765 10 0 DCAELO O=C1[C@@H]([N@H+]2CC[C@](O)(C(F)(F)F)C2)CCN1C1CCOCC1 ZINC000328678220 396831682 /nfs/dbraw/zinc/83/16/82/396831682.db2.gz SRDHGIDENMIUNP-WCQYABFASA-N 1 2 322.327 0.765 10 0 DCAELO CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCO[C@@H](CCF)C2)CC1 ZINC000626001697 397051222 /nfs/dbraw/zinc/05/12/22/397051222.db2.gz WTIWLYNQLXMZGT-JSGCOSHPSA-N 1 2 315.389 0.126 10 0 DCAELO CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCO[C@@H](CCF)C2)CC1 ZINC000626001697 397051228 /nfs/dbraw/zinc/05/12/28/397051228.db2.gz WTIWLYNQLXMZGT-JSGCOSHPSA-N 1 2 315.389 0.126 10 0 DCAELO c1n[nH]c2c1CC[C@H]([NH2+]Cc1cn(C[C@H]3CCOC3)nn1)C2 ZINC000631091023 397167845 /nfs/dbraw/zinc/16/78/45/397167845.db2.gz OEVGGKQOYAYGLW-YPMHNXCESA-N 1 2 302.382 0.685 10 0 DCAELO CNC(=O)[C@H]1CCC[N@@H+]1[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000408449796 397357665 /nfs/dbraw/zinc/35/76/65/397357665.db2.gz DRLMVUOBTJJHOT-NXEZZACHSA-N 1 2 307.316 0.750 10 0 DCAELO CNC(=O)[C@H]1CCC[N@H+]1[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000408449796 397357669 /nfs/dbraw/zinc/35/76/69/397357669.db2.gz DRLMVUOBTJJHOT-NXEZZACHSA-N 1 2 307.316 0.750 10 0 DCAELO Cc1[nH]ccc1C(=O)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000370189079 397453364 /nfs/dbraw/zinc/45/33/64/397453364.db2.gz NAJUEJZAVVBUES-CQSZACIVSA-N 1 2 304.394 0.750 10 0 DCAELO CCOC(=O)c1ncc(C[N@@H+]2C[C@@H](O)C[C@]2(C)CO)s1 ZINC000602898643 397517324 /nfs/dbraw/zinc/51/73/24/397517324.db2.gz LRUXLOYIXPNGKK-TVQRCGJNSA-N 1 2 300.380 0.637 10 0 DCAELO CCOC(=O)c1ncc(C[N@H+]2C[C@@H](O)C[C@]2(C)CO)s1 ZINC000602898643 397517326 /nfs/dbraw/zinc/51/73/26/397517326.db2.gz LRUXLOYIXPNGKK-TVQRCGJNSA-N 1 2 300.380 0.637 10 0 DCAELO Cc1nnc(CN2CC[NH+]([C@H](C(N)=O)c3ccccc3)CC2)[nH]1 ZINC000605422543 397664267 /nfs/dbraw/zinc/66/42/67/397664267.db2.gz HPNXIAIJLINKEG-HNNXBMFYSA-N 1 2 314.393 0.457 10 0 DCAELO COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+](C)C2)o1 ZINC000606303518 397678738 /nfs/dbraw/zinc/67/87/38/397678738.db2.gz QDHMSBRXCHRSCM-SECBINFHSA-N 1 2 302.352 0.439 10 0 DCAELO COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C)C2)o1 ZINC000606303518 397678741 /nfs/dbraw/zinc/67/87/41/397678741.db2.gz QDHMSBRXCHRSCM-SECBINFHSA-N 1 2 302.352 0.439 10 0 DCAELO Cc1ccc(N2CCC[N@@H+]([C@H](C)c3nnnn3C)CC2)nn1 ZINC000249276320 292130130 /nfs/dbraw/zinc/13/01/30/292130130.db2.gz JYOQXBNKQZEEBW-GFCCVEGCSA-N 1 2 302.386 0.582 10 0 DCAELO Cc1ccc(N2CCC[N@H+]([C@H](C)c3nnnn3C)CC2)nn1 ZINC000249276320 292130133 /nfs/dbraw/zinc/13/01/33/292130133.db2.gz JYOQXBNKQZEEBW-GFCCVEGCSA-N 1 2 302.386 0.582 10 0 DCAELO C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+]1CCNC(=O)CC1 ZINC000054259105 158019891 /nfs/dbraw/zinc/01/98/91/158019891.db2.gz DQDUMOIWPYIMGX-GFCCVEGCSA-N 1 2 318.377 0.223 10 0 DCAELO C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1CCNC(=O)CC1 ZINC000054259105 158019895 /nfs/dbraw/zinc/01/98/95/158019895.db2.gz DQDUMOIWPYIMGX-GFCCVEGCSA-N 1 2 318.377 0.223 10 0 DCAELO C[C@@H](NC(N)=O)C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000068230156 158041842 /nfs/dbraw/zinc/04/18/42/158041842.db2.gz OWCKEMGTBPWBEE-LLVKDONJSA-N 1 2 306.366 0.514 10 0 DCAELO CC(C)=CC[NH+]1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000074161558 158058083 /nfs/dbraw/zinc/05/80/83/158058083.db2.gz DSYXWFBDFSHNRY-UHFFFAOYSA-N 1 2 303.428 0.147 10 0 DCAELO O=C(Nc1cc2c(cc1Cl)NC(=O)CO2)[C@H]1COCC[NH2+]1 ZINC000088358604 158095084 /nfs/dbraw/zinc/09/50/84/158095084.db2.gz AJNKIHLLSMTDOO-SNVBAGLBSA-N 1 2 311.725 0.598 10 0 DCAELO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)CCC2CC2)CC1 ZINC000115376875 158161134 /nfs/dbraw/zinc/16/11/34/158161134.db2.gz WLSKFRZCQZNPDH-CQSZACIVSA-N 1 2 323.437 0.568 10 0 DCAELO CNC(=O)c1cccc(C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)c1 ZINC000116888780 158166932 /nfs/dbraw/zinc/16/69/32/158166932.db2.gz AGRXYDKFPSBZSN-ZDUSSCGKSA-N 1 2 311.407 0.170 10 0 DCAELO CNC(=O)c1cccc(C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)c1 ZINC000116888780 158166936 /nfs/dbraw/zinc/16/69/36/158166936.db2.gz AGRXYDKFPSBZSN-ZDUSSCGKSA-N 1 2 311.407 0.170 10 0 DCAELO COCC[N@@H+]1CCN(S(=O)(=O)C[C@@H]2CCCCO2)C[C@H]1C ZINC000117369564 158172479 /nfs/dbraw/zinc/17/24/79/158172479.db2.gz FQTDGDJIAPPBOP-KGLIPLIRSA-N 1 2 320.455 0.538 10 0 DCAELO COCC[N@H+]1CCN(S(=O)(=O)C[C@@H]2CCCCO2)C[C@H]1C ZINC000117369564 158172484 /nfs/dbraw/zinc/17/24/84/158172484.db2.gz FQTDGDJIAPPBOP-KGLIPLIRSA-N 1 2 320.455 0.538 10 0 DCAELO COCCC[N@H+](C[C@H](O)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000121591568 158212697 /nfs/dbraw/zinc/21/26/97/158212697.db2.gz PLFAYQLOMGWJJL-ZJUUUORDSA-N 1 2 319.345 0.435 10 0 DCAELO COCCC[N@@H+](C[C@H](O)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000121591568 158212699 /nfs/dbraw/zinc/21/26/99/158212699.db2.gz PLFAYQLOMGWJJL-ZJUUUORDSA-N 1 2 319.345 0.435 10 0 DCAELO Cc1cnc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)s1 ZINC000123849582 158234567 /nfs/dbraw/zinc/23/45/67/158234567.db2.gz GGNQNLYQYPWKNW-LLVKDONJSA-N 1 2 324.406 0.323 10 0 DCAELO COc1ccc2c(c1)C=C(C(=O)NC[C@@H]1C[N@H+](C)CCO1)CO2 ZINC000130272375 158294785 /nfs/dbraw/zinc/29/47/85/158294785.db2.gz KJNRREDCCDKMCO-OAHLLOKOSA-N 1 2 318.373 0.918 10 0 DCAELO COc1ccc2c(c1)C=C(C(=O)NC[C@@H]1C[N@@H+](C)CCO1)CO2 ZINC000130272375 158294788 /nfs/dbraw/zinc/29/47/88/158294788.db2.gz KJNRREDCCDKMCO-OAHLLOKOSA-N 1 2 318.373 0.918 10 0 DCAELO Cc1noc(C2CCN(C(=O)NC[C@H]3C[N@H+](C)CCO3)CC2)n1 ZINC000170924428 158378019 /nfs/dbraw/zinc/37/80/19/158378019.db2.gz QHMORBVCJBJZSM-ZDUSSCGKSA-N 1 2 323.397 0.598 10 0 DCAELO Cc1noc(C2CCN(C(=O)NC[C@H]3C[N@@H+](C)CCO3)CC2)n1 ZINC000170924428 158378020 /nfs/dbraw/zinc/37/80/20/158378020.db2.gz QHMORBVCJBJZSM-ZDUSSCGKSA-N 1 2 323.397 0.598 10 0 DCAELO O=C(CN1CN=NC1=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000328651088 159017700 /nfs/dbraw/zinc/01/77/00/159017700.db2.gz JNXPWJWTFNDZJP-GFCCVEGCSA-N 1 2 305.313 0.296 10 0 DCAELO CN1C(=O)CC[C@H]1C(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000328665251 159018692 /nfs/dbraw/zinc/01/86/92/159018692.db2.gz ZASGKTALPMEJMR-KGLIPLIRSA-N 1 2 305.353 0.919 10 0 DCAELO O=C([C@@H]1COCC[N@@H+]1CC1CCC1)N1C[C@@H]2COC[C@H](C1)O2 ZINC000328669657 159019452 /nfs/dbraw/zinc/01/94/52/159019452.db2.gz FXBXFISAOZIYHU-ZNMIVQPWSA-N 1 2 310.394 0.114 10 0 DCAELO O=C([C@@H]1COCC[N@H+]1CC1CCC1)N1C[C@@H]2COC[C@H](C1)O2 ZINC000328669657 159019454 /nfs/dbraw/zinc/01/94/54/159019454.db2.gz FXBXFISAOZIYHU-ZNMIVQPWSA-N 1 2 310.394 0.114 10 0 DCAELO COCc1nc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)cs1 ZINC000328902463 159039050 /nfs/dbraw/zinc/03/90/50/159039050.db2.gz GQIFVEJKGNZPGX-NEPJUHHUSA-N 1 2 311.407 0.835 10 0 DCAELO COCc1nc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)cs1 ZINC000328902463 159039054 /nfs/dbraw/zinc/03/90/54/159039054.db2.gz GQIFVEJKGNZPGX-NEPJUHHUSA-N 1 2 311.407 0.835 10 0 DCAELO C[C@@H]1C[C@H](C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CCC1=O ZINC000328986236 159049782 /nfs/dbraw/zinc/04/97/82/159049782.db2.gz ZWXNEVGMIUMFTC-ZIAGYGMSSA-N 1 2 323.437 0.614 10 0 DCAELO C[C@@H]1CCN(S(=O)(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000329409120 159089740 /nfs/dbraw/zinc/08/97/40/159089740.db2.gz BEFJKXCWDJPRJK-YPMHNXCESA-N 1 2 303.428 0.026 10 0 DCAELO C[C@@H]1CCN(S(=O)(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000329409120 159089742 /nfs/dbraw/zinc/08/97/42/159089742.db2.gz BEFJKXCWDJPRJK-YPMHNXCESA-N 1 2 303.428 0.026 10 0 DCAELO CN(C(=O)CS(=O)(=O)C1CCCC1)[C@H]1C[NH+]2CCC1CC2 ZINC000329434251 159092754 /nfs/dbraw/zinc/09/27/54/159092754.db2.gz IUYPMKXGNHYLGQ-AWEZNQCLSA-N 1 2 314.451 0.896 10 0 DCAELO C[C@H](C(=O)N1CCC[C@H](C(=O)N2CCCC2)C1)[NH+]1CCOCC1 ZINC000329510050 159097906 /nfs/dbraw/zinc/09/79/06/159097906.db2.gz XIQUHOQBSYMTTK-CABCVRRESA-N 1 2 323.437 0.568 10 0 DCAELO CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000329850863 159123908 /nfs/dbraw/zinc/12/39/08/159123908.db2.gz ZZBWRZUAZNSELI-HUUCEWRRSA-N 1 2 309.410 0.321 10 0 DCAELO O=C([C@@H]1CCCO1)N1CC[NH+]([C@H]2CCN(C3CC3)C2=O)CC1 ZINC000330090956 159140949 /nfs/dbraw/zinc/14/09/49/159140949.db2.gz XHPFHWZRTKFNSA-KBPBESRZSA-N 1 2 307.394 0.073 10 0 DCAELO CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000330237329 159153718 /nfs/dbraw/zinc/15/37/18/159153718.db2.gz UTNRIQNEXOYBJG-BPLDGKMQSA-N 1 2 309.410 0.319 10 0 DCAELO CC(=O)N1CSC[C@H]1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000407994049 160006051 /nfs/dbraw/zinc/00/60/51/160006051.db2.gz YVPKSZBTXZUHIW-LBPRGKRZSA-N 1 2 308.407 0.757 10 0 DCAELO CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc(C)cc(=O)[nH]3)C2)CC1 ZINC000408005624 160008992 /nfs/dbraw/zinc/00/89/92/160008992.db2.gz XSGNFCQSUAWXEC-CQSZACIVSA-N 1 2 318.421 0.948 10 0 DCAELO C[C@H](C(=O)N1CCC[C@H]1[C@H](O)C(F)(F)F)[NH+]1CCOCC1 ZINC000408011614 160010208 /nfs/dbraw/zinc/01/02/08/160010208.db2.gz YUBFIRWHBCGBOT-VWYCJHECSA-N 1 2 310.316 0.621 10 0 DCAELO COc1cc(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)cc(C)n1 ZINC000408022677 160014010 /nfs/dbraw/zinc/01/40/10/160014010.db2.gz NDWJQHWJPCIPAA-UONOGXRCSA-N 1 2 305.378 0.944 10 0 DCAELO COc1cc(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)cc(C)n1 ZINC000408022677 160014012 /nfs/dbraw/zinc/01/40/12/160014012.db2.gz NDWJQHWJPCIPAA-UONOGXRCSA-N 1 2 305.378 0.944 10 0 DCAELO CCNC(=O)NC(=O)C[N@@H+]1CCOC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000408042443 160020379 /nfs/dbraw/zinc/02/03/79/160020379.db2.gz HGXWKZCVFKANTM-JHJVBQTASA-N 1 2 313.398 0.084 10 0 DCAELO CCNC(=O)NC(=O)C[N@H+]1CCOC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000408042443 160020380 /nfs/dbraw/zinc/02/03/80/160020380.db2.gz HGXWKZCVFKANTM-JHJVBQTASA-N 1 2 313.398 0.084 10 0 DCAELO C[C@@H]1CCCN(S(=O)(=O)NCC[N@@H+]2CCOC[C@H]2C)C1 ZINC000408076533 160029997 /nfs/dbraw/zinc/02/99/97/160029997.db2.gz KDSXKEZWTZMNLE-CHWSQXEVSA-N 1 2 305.444 0.273 10 0 DCAELO C[C@@H]1CCCN(S(=O)(=O)NCC[N@H+]2CCOC[C@H]2C)C1 ZINC000408076533 160029998 /nfs/dbraw/zinc/02/99/98/160029998.db2.gz KDSXKEZWTZMNLE-CHWSQXEVSA-N 1 2 305.444 0.273 10 0 DCAELO CC[C@@H]1CN(C(=O)c2c[nH]cc(C)c2=O)C[C@H]1[NH+]1CCOCC1 ZINC000408169594 160051978 /nfs/dbraw/zinc/05/19/78/160051978.db2.gz RJXFMJQAHPRCQC-UKRRQHHQSA-N 1 2 319.405 0.866 10 0 DCAELO Cc1cc(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)nc(C)n1 ZINC000408198957 160058463 /nfs/dbraw/zinc/05/84/63/160058463.db2.gz PNDQQQIPBVFQCP-NHYWBVRUSA-N 1 2 304.394 0.886 10 0 DCAELO CC[C@@H]1C[C@H](C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)CC(=O)N1 ZINC000408201365 160058576 /nfs/dbraw/zinc/05/85/76/160058576.db2.gz DWOHZQICGZBHTO-BYNSBNAKSA-N 1 2 323.437 0.470 10 0 DCAELO CNC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCc3sccc3C2)C1 ZINC000408253767 160069913 /nfs/dbraw/zinc/06/99/13/160069913.db2.gz AULADICZALBCTR-LBPRGKRZSA-N 1 2 322.434 0.636 10 0 DCAELO CNC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCc3sccc3C2)C1 ZINC000408253767 160069915 /nfs/dbraw/zinc/06/99/15/160069915.db2.gz AULADICZALBCTR-LBPRGKRZSA-N 1 2 322.434 0.636 10 0 DCAELO CNS(=O)(=O)c1csc(C(=O)N2CC[N@H+](C)C[C@H]2C)c1 ZINC000408347230 160088752 /nfs/dbraw/zinc/08/87/52/160088752.db2.gz XYBJCHFOZABGMY-SECBINFHSA-N 1 2 317.436 0.432 10 0 DCAELO CNS(=O)(=O)c1csc(C(=O)N2CC[N@@H+](C)C[C@H]2C)c1 ZINC000408347230 160088755 /nfs/dbraw/zinc/08/87/55/160088755.db2.gz XYBJCHFOZABGMY-SECBINFHSA-N 1 2 317.436 0.432 10 0 DCAELO CC(=O)N[C@H](C)C1CCN(c2nc3c(cnn3C)c(N)[nH+]2)CC1 ZINC000408403109 160100995 /nfs/dbraw/zinc/10/09/95/160100995.db2.gz CPIWZPAWRHXFQC-SECBINFHSA-N 1 2 317.397 0.687 10 0 DCAELO CC(=O)CCC(C)(C)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000133206586 287009618 /nfs/dbraw/zinc/00/96/18/287009618.db2.gz XSFTYBNEJHPPBS-AWEZNQCLSA-N 1 2 314.426 0.533 10 0 DCAELO C[C@@H](C(=O)NC(=O)Nc1ccccc1)[N@@H+]1CCNC(=O)CC1 ZINC000192568473 287059022 /nfs/dbraw/zinc/05/90/22/287059022.db2.gz KZWGAIBTYNAXIP-NSHDSACASA-N 1 2 304.350 0.545 10 0 DCAELO C[C@@H](C(=O)NC(=O)Nc1ccccc1)[N@H+]1CCNC(=O)CC1 ZINC000192568473 287059023 /nfs/dbraw/zinc/05/90/23/287059023.db2.gz KZWGAIBTYNAXIP-NSHDSACASA-N 1 2 304.350 0.545 10 0 DCAELO Cc1ccccc1Cc1nnn(C[C@H](O)C[NH+]2CCOCC2)n1 ZINC000193395613 287060868 /nfs/dbraw/zinc/06/08/68/287060868.db2.gz CJIAIMPXMRGWFN-OAHLLOKOSA-N 1 2 317.393 0.265 10 0 DCAELO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@@H]2C[C@H]2C)CC1 ZINC000246056126 287075747 /nfs/dbraw/zinc/07/57/47/287075747.db2.gz DDLHCUWYLFQIIF-MGPQQGTHSA-N 1 2 308.426 0.733 10 0 DCAELO COC(=O)[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000247407395 287093775 /nfs/dbraw/zinc/09/37/75/287093775.db2.gz YFMSHWIICSESQE-OLZOCXBDSA-N 1 2 318.439 0.686 10 0 DCAELO COC(=O)[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000247407395 287093776 /nfs/dbraw/zinc/09/37/76/287093776.db2.gz YFMSHWIICSESQE-OLZOCXBDSA-N 1 2 318.439 0.686 10 0 DCAELO C[C@@H](O)C[NH+]1CCN(C(=O)c2snnc2C(C)(C)C)CC1 ZINC000191974579 287094139 /nfs/dbraw/zinc/09/41/39/287094139.db2.gz LCIIKAVTEMFVQF-SNVBAGLBSA-N 1 2 312.439 0.974 10 0 DCAELO NC(=O)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000248820961 287102084 /nfs/dbraw/zinc/10/20/84/287102084.db2.gz BNWPOMPYFJCGCN-NFAWXSAZSA-N 1 2 323.437 0.790 10 0 DCAELO NC(=O)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000248820961 287102085 /nfs/dbraw/zinc/10/20/85/287102085.db2.gz BNWPOMPYFJCGCN-NFAWXSAZSA-N 1 2 323.437 0.790 10 0 DCAELO CC[C@H]1CN(S(=O)(=O)C[C@H](C)OC)CC[N@@H+]1CCOC ZINC000249581031 287114779 /nfs/dbraw/zinc/11/47/79/287114779.db2.gz NJCFNGORDKHLJN-STQMWFEESA-N 1 2 308.444 0.394 10 0 DCAELO CC[C@H]1CN(S(=O)(=O)C[C@H](C)OC)CC[N@H+]1CCOC ZINC000249581031 287114783 /nfs/dbraw/zinc/11/47/83/287114783.db2.gz NJCFNGORDKHLJN-STQMWFEESA-N 1 2 308.444 0.394 10 0 DCAELO CO[C@@H]1CN(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CC[C@H]1C ZINC000251919261 287120437 /nfs/dbraw/zinc/12/04/37/287120437.db2.gz SHHLEVNJZAUXBD-RBSFLKMASA-N 1 2 312.458 0.689 10 0 DCAELO O=C(NCC[NH+]1CCOCC1)NC[C@H]1COc2ccccc2O1 ZINC000045546401 415245911 /nfs/dbraw/zinc/24/59/11/415245911.db2.gz DOSRLAXJOJEKBP-ZDUSSCGKSA-N 1 2 321.377 0.458 10 0 DCAELO CC[NH+]1CCN(c2ccc(C(=O)Nc3nn[nH]n3)cc2F)CC1 ZINC000076964054 415456568 /nfs/dbraw/zinc/45/65/68/415456568.db2.gz SHLIYIFVSOVWNA-UHFFFAOYSA-N 1 2 319.344 0.733 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@](C)(O)Cc3ccccc3)C[C@H]21 ZINC000286297748 415626158 /nfs/dbraw/zinc/62/61/58/415626158.db2.gz HVLAVZGTTODSED-JFIYKMOQSA-N 1 2 318.417 0.912 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@](C)(O)Cc3ccccc3)C[C@H]21 ZINC000286297748 415626166 /nfs/dbraw/zinc/62/61/66/415626166.db2.gz HVLAVZGTTODSED-JFIYKMOQSA-N 1 2 318.417 0.912 10 0 DCAELO CC(C)(C)CC(=O)NCC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000115164743 415724546 /nfs/dbraw/zinc/72/45/46/415724546.db2.gz KWRIMIROQNGXAI-CYBMUJFWSA-N 1 2 311.426 0.518 10 0 DCAELO CC(C)(C)CC(=O)NCC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000115164743 415724555 /nfs/dbraw/zinc/72/45/55/415724555.db2.gz KWRIMIROQNGXAI-CYBMUJFWSA-N 1 2 311.426 0.518 10 0 DCAELO C[C@H](c1ccccc1)N(CC(N)=O)C[C@H](O)C[NH+]1CCOCC1 ZINC000130834806 415925046 /nfs/dbraw/zinc/92/50/46/415925046.db2.gz XWQNAHPXQQKMPZ-GDBMZVCRSA-N 1 2 321.421 0.228 10 0 DCAELO Cc1cc(-n2cncn2)ccc1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000173339093 416056831 /nfs/dbraw/zinc/05/68/31/416056831.db2.gz DGOHRQKGSRCMEZ-AWEZNQCLSA-N 1 2 315.377 0.636 10 0 DCAELO Cc1cc(-n2cncn2)ccc1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000173339093 416056835 /nfs/dbraw/zinc/05/68/35/416056835.db2.gz DGOHRQKGSRCMEZ-AWEZNQCLSA-N 1 2 315.377 0.636 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)NCC[C@H](C)O)nc[nH+]1 ZINC000173424828 416058513 /nfs/dbraw/zinc/05/85/13/416058513.db2.gz SXJYZSYGXWJFDH-NWDGAFQWSA-N 1 2 322.413 0.557 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)NCC[C@H](C)O)[nH+]cn1 ZINC000173424828 416058516 /nfs/dbraw/zinc/05/85/16/416058516.db2.gz SXJYZSYGXWJFDH-NWDGAFQWSA-N 1 2 322.413 0.557 10 0 DCAELO CCc1cnc(CCNC(=O)NCC[NH+]2CCOCC2)s1 ZINC000173990899 416070294 /nfs/dbraw/zinc/07/02/94/416070294.db2.gz NMFYUAQLZUEXON-UHFFFAOYSA-N 1 2 312.439 0.879 10 0 DCAELO O=C(CN1CC[C@@H]([NH+]2CCOCC2)C1)NCc1cccs1 ZINC000173937718 416070492 /nfs/dbraw/zinc/07/04/92/416070492.db2.gz ULVFVUYMZZRIID-CYBMUJFWSA-N 1 2 309.435 0.771 10 0 DCAELO C[C@H]1CN(c2ccc(CNC(=O)CC(=O)N(C)C)c[nH+]2)CCO1 ZINC000173971671 416070720 /nfs/dbraw/zinc/07/07/20/416070720.db2.gz KTGXZNZRFRALRT-LBPRGKRZSA-N 1 2 320.393 0.401 10 0 DCAELO Cn1cc([C@]2(C)C[N@@H+]([C@@H]3CCN(C4CC4)C3=O)CCO2)cn1 ZINC000159067152 416006620 /nfs/dbraw/zinc/00/66/20/416006620.db2.gz WRKDVZOEUFYLDQ-ZBFHGGJFSA-N 1 2 304.394 0.731 10 0 DCAELO Cn1cc([C@]2(C)C[N@H+]([C@@H]3CCN(C4CC4)C3=O)CCO2)cn1 ZINC000159067152 416006623 /nfs/dbraw/zinc/00/66/23/416006623.db2.gz WRKDVZOEUFYLDQ-ZBFHGGJFSA-N 1 2 304.394 0.731 10 0 DCAELO COC[C@@H]1CN(C(=O)NCc2ccc[nH+]c2N(C)C)CCO1 ZINC000175077764 416095124 /nfs/dbraw/zinc/09/51/24/416095124.db2.gz ZKGYJEYCPKYOQB-ZDUSSCGKSA-N 1 2 308.382 0.704 10 0 DCAELO COCCCS(=O)(=O)NCC[N@H+](C)Cc1ccc(C)o1 ZINC000175060227 416096411 /nfs/dbraw/zinc/09/64/11/416096411.db2.gz XHHVJTFFUNSMSY-UHFFFAOYSA-N 1 2 304.412 0.976 10 0 DCAELO COCCCS(=O)(=O)NCC[N@@H+](C)Cc1ccc(C)o1 ZINC000175060227 416096414 /nfs/dbraw/zinc/09/64/14/416096414.db2.gz XHHVJTFFUNSMSY-UHFFFAOYSA-N 1 2 304.412 0.976 10 0 DCAELO O=C(CCOC1CCOCC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000175444460 416106470 /nfs/dbraw/zinc/10/64/70/416106470.db2.gz KPHFIMFACOGQNQ-CQSZACIVSA-N 1 2 312.410 0.505 10 0 DCAELO CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H](C)NS(C)(=O)=O ZINC000175925808 416116067 /nfs/dbraw/zinc/11/60/67/416116067.db2.gz RCURCKIXTDTSLI-SNVBAGLBSA-N 1 2 302.400 0.093 10 0 DCAELO O=S(=O)(C[C@H]1CCCCO1)NC[C@@H]1CCn2cc[nH+]c2C1 ZINC000328618978 416123710 /nfs/dbraw/zinc/12/37/10/416123710.db2.gz FJSGEWHWFPUYBN-CHWSQXEVSA-N 1 2 313.423 0.934 10 0 DCAELO CSc1ccc(C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)o1 ZINC000176481422 416127961 /nfs/dbraw/zinc/12/79/61/416127961.db2.gz TWDSMCBDAYJBLY-CQSZACIVSA-N 1 2 314.407 0.815 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cn(C(C)(C)C)nn3)C[C@H]21 ZINC000328875893 416135473 /nfs/dbraw/zinc/13/54/73/416135473.db2.gz JYDWMVZKDHHWGB-OLZOCXBDSA-N 1 2 307.398 0.578 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)c3cn(C(C)(C)C)nn3)C[C@H]21 ZINC000328875893 416135476 /nfs/dbraw/zinc/13/54/76/416135476.db2.gz JYDWMVZKDHHWGB-OLZOCXBDSA-N 1 2 307.398 0.578 10 0 DCAELO CC(C)N(C)S(=O)(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000176992600 416138410 /nfs/dbraw/zinc/13/84/10/416138410.db2.gz GWMBQGIHHXDEJA-OLZOCXBDSA-N 1 2 305.444 0.224 10 0 DCAELO COCC[N@@H+]1CCN(C(=O)[C@H]2CCc3[nH]nnc3C2)C[C@H]1C ZINC000328987127 416143080 /nfs/dbraw/zinc/14/30/80/416143080.db2.gz BZWWRUQNUDBFNV-NEPJUHHUSA-N 1 2 307.398 0.089 10 0 DCAELO COCC[N@H+]1CCN(C(=O)[C@H]2CCc3[nH]nnc3C2)C[C@H]1C ZINC000328987127 416143082 /nfs/dbraw/zinc/14/30/82/416143082.db2.gz BZWWRUQNUDBFNV-NEPJUHHUSA-N 1 2 307.398 0.089 10 0 DCAELO COCC[N@@H+]1CCN(C(=O)[C@H]2CCc3nn[nH]c3C2)C[C@H]1C ZINC000328987127 416143084 /nfs/dbraw/zinc/14/30/84/416143084.db2.gz BZWWRUQNUDBFNV-NEPJUHHUSA-N 1 2 307.398 0.089 10 0 DCAELO COCC[N@H+]1CCN(C(=O)[C@H]2CCc3nn[nH]c3C2)C[C@H]1C ZINC000328987127 416143086 /nfs/dbraw/zinc/14/30/86/416143086.db2.gz BZWWRUQNUDBFNV-NEPJUHHUSA-N 1 2 307.398 0.089 10 0 DCAELO O=C(/C=C/c1cnc2ccccc2n1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178617994 416166539 /nfs/dbraw/zinc/16/65/39/416166539.db2.gz WFKCSBLWQQDLBI-LLYBFZRZSA-N 1 2 323.400 0.759 10 0 DCAELO O=C(CCn1cnc2ccccc21)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178975360 416179645 /nfs/dbraw/zinc/17/96/45/416179645.db2.gz JIZSZWAVFGRHAO-AWEZNQCLSA-N 1 2 313.405 0.542 10 0 DCAELO Cc1ccccc1NC(=O)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178961904 416179824 /nfs/dbraw/zinc/17/98/24/416179824.db2.gz IGBLXSJSEOPXLK-CYBMUJFWSA-N 1 2 302.378 0.050 10 0 DCAELO Cc1cccc(NC(=O)C(=O)NC[C@@H]2C[NH+]3CCN2CC3)c1 ZINC000178957195 416180070 /nfs/dbraw/zinc/18/00/70/416180070.db2.gz FOALAMUHUJFIMW-CQSZACIVSA-N 1 2 302.378 0.050 10 0 DCAELO CC(C)S(=O)(=O)CCN1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000178214479 416159264 /nfs/dbraw/zinc/15/92/64/416159264.db2.gz UYCAFYUKLQDURF-AWEZNQCLSA-N 1 2 318.483 0.995 10 0 DCAELO CC(C)S(=O)(=O)CCN1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000178214479 416159267 /nfs/dbraw/zinc/15/92/67/416159267.db2.gz UYCAFYUKLQDURF-AWEZNQCLSA-N 1 2 318.483 0.995 10 0 DCAELO Cc1cc(N2CC[NH+](C[C@H](C)CS(C)(=O)=O)CC2)n[nH]1 ZINC000187202187 416260912 /nfs/dbraw/zinc/26/09/12/416260912.db2.gz MTDDVLCSTVKZGC-NSHDSACASA-N 1 2 300.428 0.521 10 0 DCAELO C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2)CC[N@@H+]1CCO ZINC000190043418 416273151 /nfs/dbraw/zinc/27/31/51/416273151.db2.gz MHSMFHCFZNCDBA-NSHDSACASA-N 1 2 309.341 0.289 10 0 DCAELO C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2)CC[N@H+]1CCO ZINC000190043418 416273155 /nfs/dbraw/zinc/27/31/55/416273155.db2.gz MHSMFHCFZNCDBA-NSHDSACASA-N 1 2 309.341 0.289 10 0 DCAELO Cc1ccc(F)cc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000190036178 416274138 /nfs/dbraw/zinc/27/41/38/416274138.db2.gz ZBXUKGIUSUBXSH-LBPRGKRZSA-N 1 2 323.368 0.598 10 0 DCAELO Cc1ccc(F)cc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000190036178 416274143 /nfs/dbraw/zinc/27/41/43/416274143.db2.gz ZBXUKGIUSUBXSH-LBPRGKRZSA-N 1 2 323.368 0.598 10 0 DCAELO CC(C)OCC[NH+]1CCN(S(=O)(=O)[C@H]2CCO[C@H]2C)CC1 ZINC000190204635 416276472 /nfs/dbraw/zinc/27/64/72/416276472.db2.gz DAKNXQXCQQVXEP-KBPBESRZSA-N 1 2 320.455 0.536 10 0 DCAELO CN(C[C@H]1CCn2cc[nH+]c2C1)C(=O)N[C@@H]1CCN(C)C1=O ZINC000583623948 416480401 /nfs/dbraw/zinc/48/04/01/416480401.db2.gz PIAVZDPXUJEGBM-NWDGAFQWSA-N 1 2 305.382 0.318 10 0 DCAELO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCS1(=O)=O ZINC000544257099 416654430 /nfs/dbraw/zinc/65/44/30/416654430.db2.gz IUHPSLWGBRRJOK-QWHCGFSZSA-N 1 2 302.440 0.944 10 0 DCAELO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCS1(=O)=O ZINC000544257099 416654433 /nfs/dbraw/zinc/65/44/33/416654433.db2.gz IUHPSLWGBRRJOK-QWHCGFSZSA-N 1 2 302.440 0.944 10 0 DCAELO Cc1cc(CCNc2cc(N3CCN(C)C(=O)C3)nc[nH+]2)on1 ZINC000516267623 416720330 /nfs/dbraw/zinc/72/03/30/416720330.db2.gz JEVOWLITPQMGRI-UHFFFAOYSA-N 1 2 316.365 0.706 10 0 DCAELO Cc1cc(CCNc2cc(N3CCN(C)C(=O)C3)[nH+]cn2)on1 ZINC000516267623 416720334 /nfs/dbraw/zinc/72/03/34/416720334.db2.gz JEVOWLITPQMGRI-UHFFFAOYSA-N 1 2 316.365 0.706 10 0 DCAELO CSC[C@H](CCO)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000557383851 416732684 /nfs/dbraw/zinc/73/26/84/416732684.db2.gz XIRJRPLKBCHZJJ-NSHDSACASA-N 1 2 322.390 0.503 10 0 DCAELO CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623275239 416791452 /nfs/dbraw/zinc/79/14/52/416791452.db2.gz CZZUTKHRRZWFFX-RDJZCZTQSA-N 1 2 324.384 0.897 10 0 DCAELO Cn1cc(-c2[nH]ncc2C(=O)NCCNc2cc[nH+]cc2)cn1 ZINC000444651661 416856385 /nfs/dbraw/zinc/85/63/85/416856385.db2.gz RGWPGRISWVGSHY-UHFFFAOYSA-N 1 2 311.349 0.469 10 0 DCAELO CO[C@@H]1CCN(S(=O)(=O)C[C@H]2C[N@H+](C)CCO2)CC1(C)C ZINC000632410460 417072202 /nfs/dbraw/zinc/07/22/02/417072202.db2.gz FJCGLCACEQLPMR-CHWSQXEVSA-N 1 2 320.455 0.394 10 0 DCAELO CO[C@@H]1CCN(S(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)CC1(C)C ZINC000632410460 417072207 /nfs/dbraw/zinc/07/22/07/417072207.db2.gz FJCGLCACEQLPMR-CHWSQXEVSA-N 1 2 320.455 0.394 10 0 DCAELO Nc1cc([C@@H]2CN(S(=O)(=O)c3ccccc3)CC[NH2+]2)ccn1 ZINC000616602926 417082615 /nfs/dbraw/zinc/08/26/15/417082615.db2.gz NWWSYDJMOWTGGC-AWEZNQCLSA-N 1 2 318.402 0.999 10 0 DCAELO Nc1ccc([C@H]2CNc3ccccc3N2S(N)(=O)=O)c[nH+]1 ZINC000616682082 417093756 /nfs/dbraw/zinc/09/37/56/417093756.db2.gz FLNJUPHBEPTKHD-GFCCVEGCSA-N 1 2 305.363 0.841 10 0 DCAELO Nc1ccc([C@H]2CN(S(N)(=O)=O)c3ccccc3N2)c[nH+]1 ZINC000616690871 417094540 /nfs/dbraw/zinc/09/45/40/417094540.db2.gz JEWFNKBWYQRRTL-LLVKDONJSA-N 1 2 305.363 0.841 10 0 DCAELO CC(=O)N1CCC[C@H](CNC(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000530302734 417564840 /nfs/dbraw/zinc/56/48/40/417564840.db2.gz YSEYSLHXXNZRGH-OAHLLOKOSA-N 1 2 323.437 0.616 10 0 DCAELO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccncc1Br ZINC000628916982 417721526 /nfs/dbraw/zinc/72/15/26/417721526.db2.gz GXPWJWBBMPOZEW-VIFPVBQESA-N 1 2 314.183 0.905 10 0 DCAELO C[N@H+]1CCOC[C@@H]1CNC(=O)c1ccncc1Br ZINC000628916982 417721530 /nfs/dbraw/zinc/72/15/30/417721530.db2.gz GXPWJWBBMPOZEW-VIFPVBQESA-N 1 2 314.183 0.905 10 0 DCAELO Cc1nc(C(=O)NCC[N@@H+]2CCOCC2(C)C)c(=O)[nH]c1C ZINC000179195119 261111960 /nfs/dbraw/zinc/11/19/60/261111960.db2.gz CWEKIFFQOANJIJ-UHFFFAOYSA-N 1 2 308.382 0.227 10 0 DCAELO Cc1nc(C(=O)NCC[N@H+]2CCOCC2(C)C)c(=O)[nH]c1C ZINC000179195119 261111962 /nfs/dbraw/zinc/11/19/62/261111962.db2.gz CWEKIFFQOANJIJ-UHFFFAOYSA-N 1 2 308.382 0.227 10 0 DCAELO C[C@@H](NC(=O)CC(C)(C)C)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000188194463 261125866 /nfs/dbraw/zinc/12/58/66/261125866.db2.gz JWWRIKQQFPBWRG-QWHCGFSZSA-N 1 2 313.442 0.764 10 0 DCAELO COC(=O)[C@@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)C1CC1 ZINC000358809151 261701125 /nfs/dbraw/zinc/70/11/25/261701125.db2.gz JEEXSYOVWNECBB-DZGCQCFKSA-N 1 2 314.451 0.736 10 0 DCAELO CCN(C1CC[NH+]([C@@H](C(=O)OC)C2CC2)CC1)S(C)(=O)=O ZINC000359606966 271130243 /nfs/dbraw/zinc/13/02/43/271130243.db2.gz ZAPWGKQPSFIFFB-CYBMUJFWSA-N 1 2 318.439 0.684 10 0 DCAELO COC(=O)C(C)(C)N1CC[NH+]([C@H](C(N)=O)c2ccccc2)CC1 ZINC000494427631 272221448 /nfs/dbraw/zinc/22/14/48/272221448.db2.gz UHBYGRWDXFSVAH-AWEZNQCLSA-N 1 2 319.405 0.782 10 0 DCAELO C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCO2)c1nncn1C ZINC000494789720 272231641 /nfs/dbraw/zinc/23/16/41/272231641.db2.gz DRIQRBDLKDZIQB-SECBINFHSA-N 1 2 303.322 0.833 10 0 DCAELO O=C(NCc1nnc2ccccn21)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000547673431 288067419 /nfs/dbraw/zinc/06/74/19/288067419.db2.gz COJDGWTWTCGUNR-LLVKDONJSA-N 1 2 311.349 0.740 10 0 DCAELO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1nnc2n1CCCC2 ZINC000173625307 279587357 /nfs/dbraw/zinc/58/73/57/279587357.db2.gz GZQLLXAWINXNMK-WDEREUQCSA-N 1 2 322.413 0.888 10 0 DCAELO O=C(CN1CCOCC1=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000548715726 288169781 /nfs/dbraw/zinc/16/97/81/288169781.db2.gz NLCNCJMMQJZAHT-UHFFFAOYSA-N 1 2 300.318 0.670 10 0 DCAELO C[N@@H+](CC(=O)OC(C)(C)C)C[C@@H](O)COC[C@@H]1CCCO1 ZINC000548909117 288186637 /nfs/dbraw/zinc/18/66/37/288186637.db2.gz UBFRUBPYTFBQIQ-OLZOCXBDSA-N 1 2 303.399 0.816 10 0 DCAELO C[N@H+](CC(=O)OC(C)(C)C)C[C@@H](O)COC[C@@H]1CCCO1 ZINC000548909117 288186639 /nfs/dbraw/zinc/18/66/39/288186639.db2.gz UBFRUBPYTFBQIQ-OLZOCXBDSA-N 1 2 303.399 0.816 10 0 DCAELO CC(C)[C@H](C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1)N1CCCC1=O ZINC000328889055 280157877 /nfs/dbraw/zinc/15/78/77/280157877.db2.gz QNOMTPNKYNFMDE-OFQRWUPVSA-N 1 2 323.437 0.565 10 0 DCAELO CC(C)[C@H](C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1)N1CCCC1=O ZINC000328889055 280157880 /nfs/dbraw/zinc/15/78/80/280157880.db2.gz QNOMTPNKYNFMDE-OFQRWUPVSA-N 1 2 323.437 0.565 10 0 DCAELO CC(C)(CCO)CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000552742736 288279954 /nfs/dbraw/zinc/27/99/54/288279954.db2.gz XCAFCSRCXSHUAG-UHFFFAOYSA-N 1 2 304.350 0.798 10 0 DCAELO Cc1cc(CCNC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)on1 ZINC000553926421 288310803 /nfs/dbraw/zinc/31/08/03/288310803.db2.gz PXHWNWVZXPKZLI-CHWSQXEVSA-N 1 2 310.398 0.934 10 0 DCAELO COC(=O)C1([NH2+]C[C@@H](O)COC[C@H]2CCCO2)CCCC1 ZINC000556759143 288391680 /nfs/dbraw/zinc/39/16/80/288391680.db2.gz GHIBIRLOAWIQCI-CHWSQXEVSA-N 1 2 301.383 0.618 10 0 DCAELO CCC(O)(CC)CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000560988586 288522981 /nfs/dbraw/zinc/52/29/81/288522981.db2.gz BUURQOCAAXIZKH-UHFFFAOYSA-N 1 2 304.350 0.940 10 0 DCAELO CO[C@H]1CC[C@H](NC(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)C1 ZINC000562304269 288564652 /nfs/dbraw/zinc/56/46/52/288564652.db2.gz XCKSOCDDGXWBHC-GJZGRUSLSA-N 1 2 321.425 0.815 10 0 DCAELO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1CCc2c[nH]nc2C1 ZINC000329690174 289047236 /nfs/dbraw/zinc/04/72/36/289047236.db2.gz GKISJYNFHHEJLD-DVOMOZLQSA-N 1 2 318.421 0.836 10 0 DCAELO C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CCNC(=O)CC1 ZINC000065955280 289306463 /nfs/dbraw/zinc/30/64/63/289306463.db2.gz OCMDGNYONACVGJ-LLVKDONJSA-N 1 2 307.419 0.843 10 0 DCAELO C[C@H](C(=O)N1CCc2sccc2C1)[N@H+]1CCNC(=O)CC1 ZINC000065955280 289306468 /nfs/dbraw/zinc/30/64/68/289306468.db2.gz OCMDGNYONACVGJ-LLVKDONJSA-N 1 2 307.419 0.843 10 0 DCAELO Cn1cc(N2CC[C@@H]([N@@H+]3CC[C@](O)(C(F)(F)F)C3)C2=O)cn1 ZINC000177279546 294252869 /nfs/dbraw/zinc/25/28/69/294252869.db2.gz VPVUCEXULXFXRM-ZYHUDNBSSA-N 1 2 318.299 0.525 10 0 DCAELO Cn1cc(N2CC[C@@H]([N@H+]3CC[C@](O)(C(F)(F)F)C3)C2=O)cn1 ZINC000177279546 294252872 /nfs/dbraw/zinc/25/28/72/294252872.db2.gz VPVUCEXULXFXRM-ZYHUDNBSSA-N 1 2 318.299 0.525 10 0 DCAELO C[C@@H](NC(=O)N1CCc2cncnc2C1)[C@@H](C)[NH+]1CCOCC1 ZINC000332843392 332884155 /nfs/dbraw/zinc/88/41/55/332884155.db2.gz OYPIODPHSCYEGI-CHWSQXEVSA-N 1 2 319.409 0.654 10 0 DCAELO Cn1cnc(-c2ccc(OC[C@H](O)C[NH+]3CCOCC3)cc2)n1 ZINC000189471096 333090070 /nfs/dbraw/zinc/09/00/70/333090070.db2.gz CRRHUGKEFBAYBA-CQSZACIVSA-N 1 2 318.377 0.554 10 0 DCAELO Cn1nnnc1C[N@@H+]1CCC[C@H](CC(=O)N2CCCC2)CC1 ZINC000299745034 534368469 /nfs/dbraw/zinc/36/84/69/534368469.db2.gz QVKJIBDWSUSODU-ZDUSSCGKSA-N 1 2 306.414 0.825 10 0 DCAELO Cn1nnnc1C[N@H+]1CCC[C@H](CC(=O)N2CCCC2)CC1 ZINC000299745034 534368477 /nfs/dbraw/zinc/36/84/77/534368477.db2.gz QVKJIBDWSUSODU-ZDUSSCGKSA-N 1 2 306.414 0.825 10 0 DCAELO CCn1cc(NC(=O)C(=O)N2CC[N@H+](CCOC)[C@H](C)C2)cn1 ZINC000129826508 523402148 /nfs/dbraw/zinc/40/21/48/523402148.db2.gz YUVWQXFVPRNHHY-GFCCVEGCSA-N 1 2 323.397 0.021 10 0 DCAELO CCn1cc(NC(=O)C(=O)N2CC[N@@H+](CCOC)[C@H](C)C2)cn1 ZINC000129826508 523402152 /nfs/dbraw/zinc/40/21/52/523402152.db2.gz YUVWQXFVPRNHHY-GFCCVEGCSA-N 1 2 323.397 0.021 10 0 DCAELO C[C@H](CNC(=O)[C@@H]1CC(c2cccnc2)=NO1)[NH+]1CCOCC1 ZINC000188465218 524437949 /nfs/dbraw/zinc/43/79/49/524437949.db2.gz FFSQIQDIIBURPR-DOMZBBRYSA-N 1 2 318.377 0.412 10 0 DCAELO CC(=O)N1CC[NH+](CCNC(=O)c2cc[nH]c2C2CC2)CC1 ZINC000284207336 534789888 /nfs/dbraw/zinc/78/98/88/534789888.db2.gz ZOXDWUQAZFLZTI-UHFFFAOYSA-N 1 2 304.394 0.786 10 0 DCAELO Cc1c(C(=O)NC[C@H](O)C[NH+]2CCOCC2)cnn1CC(C)C ZINC000161610334 525623661 /nfs/dbraw/zinc/62/36/61/525623661.db2.gz GNTZLUGOAFWCQN-AWEZNQCLSA-N 1 2 324.425 0.270 10 0 DCAELO O=C(NCC[NH+]1CCOCC1)N1CCC(c2cc[nH]n2)CC1 ZINC000154822951 526317192 /nfs/dbraw/zinc/31/71/92/526317192.db2.gz BNXFHVFLDSEZRF-UHFFFAOYSA-N 1 2 307.398 0.631 10 0 DCAELO O=C(CCCCc1c[nH]nn1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000157931228 526426562 /nfs/dbraw/zinc/42/65/62/526426562.db2.gz UAHLYIAAADLCJF-CQSZACIVSA-N 1 2 307.398 0.497 10 0 DCAELO O=C(CCCCc1c[nH]nn1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000157931228 526426564 /nfs/dbraw/zinc/42/65/64/526426564.db2.gz UAHLYIAAADLCJF-CQSZACIVSA-N 1 2 307.398 0.497 10 0 DCAELO O=C(CCCCc1cn[nH]n1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000157931228 526426569 /nfs/dbraw/zinc/42/65/69/526426569.db2.gz UAHLYIAAADLCJF-CQSZACIVSA-N 1 2 307.398 0.497 10 0 DCAELO O=C(CCCCc1cn[nH]n1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000157931228 526426571 /nfs/dbraw/zinc/42/65/71/526426571.db2.gz UAHLYIAAADLCJF-CQSZACIVSA-N 1 2 307.398 0.497 10 0 DCAELO Cn1cccc1[C@@H]1COCC[N@@H+]1C[C@@H](O)CN1CCCC1=O ZINC000249265441 527407305 /nfs/dbraw/zinc/40/73/05/527407305.db2.gz ISDKCXHZZAEJBO-HIFRSBDPSA-N 1 2 307.394 0.382 10 0 DCAELO Cn1cccc1[C@@H]1COCC[N@H+]1C[C@@H](O)CN1CCCC1=O ZINC000249265441 527407312 /nfs/dbraw/zinc/40/73/12/527407312.db2.gz ISDKCXHZZAEJBO-HIFRSBDPSA-N 1 2 307.394 0.382 10 0 DCAELO CC1(C)COCC[N@@H+]1CCNC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000186923413 529131545 /nfs/dbraw/zinc/13/15/45/529131545.db2.gz VIXPAMAQZAKZHX-UHFFFAOYSA-N 1 2 324.425 0.017 10 0 DCAELO CC1(C)COCC[N@H+]1CCNC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000186923413 529131546 /nfs/dbraw/zinc/13/15/46/529131546.db2.gz VIXPAMAQZAKZHX-UHFFFAOYSA-N 1 2 324.425 0.017 10 0 DCAELO CC[C@H]1CN(S(=O)(=O)N2CCC[C@@H]2C)CC[N@@H+]1CCOC ZINC000184998539 529299926 /nfs/dbraw/zinc/29/99/26/529299926.db2.gz MVXHOXXBOABIOH-KBPBESRZSA-N 1 2 319.471 0.758 10 0 DCAELO CC[C@H]1CN(S(=O)(=O)N2CCC[C@@H]2C)CC[N@H+]1CCOC ZINC000184998539 529299927 /nfs/dbraw/zinc/29/99/27/529299927.db2.gz MVXHOXXBOABIOH-KBPBESRZSA-N 1 2 319.471 0.758 10 0 DCAELO COc1ccc(S(=O)(=O)N(C)C[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000074774924 545670701 /nfs/dbraw/zinc/67/07/01/545670701.db2.gz LBMGGZUJXJSEHB-ZDUSSCGKSA-N 1 2 314.407 0.646 10 0 DCAELO COc1ccc(S(=O)(=O)N(C)C[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000074774924 545670708 /nfs/dbraw/zinc/67/07/08/545670708.db2.gz LBMGGZUJXJSEHB-ZDUSSCGKSA-N 1 2 314.407 0.646 10 0 DCAELO CN(C[C@H]1C[N@H+](C)CCO1)S(=O)(=O)Cc1ccc(F)cc1 ZINC000074775050 545671594 /nfs/dbraw/zinc/67/15/94/545671594.db2.gz QJOAHQZFFDJJJE-CQSZACIVSA-N 1 2 316.398 0.918 10 0 DCAELO CN(C[C@H]1C[N@@H+](C)CCO1)S(=O)(=O)Cc1ccc(F)cc1 ZINC000074775050 545671598 /nfs/dbraw/zinc/67/15/98/545671598.db2.gz QJOAHQZFFDJJJE-CQSZACIVSA-N 1 2 316.398 0.918 10 0 DCAELO Cc1noc2ncc(S(=O)(=O)N3CC[NH+](C4CC4)CC3)cc12 ZINC000102659800 545731305 /nfs/dbraw/zinc/73/13/05/545731305.db2.gz HYWJJDDPVLMWHH-UHFFFAOYSA-N 1 2 322.390 1.000 10 0 DCAELO O=C(COC[C@@H]1CCOC1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000117745911 545737013 /nfs/dbraw/zinc/73/70/13/545737013.db2.gz RGRZOJYSJLTGKZ-MRXNPFEDSA-N 1 2 319.405 0.779 10 0 DCAELO [NH3+][C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC000034051975 571749671 /nfs/dbraw/zinc/74/96/71/571749671.db2.gz OHUXOEXBXPZKPT-STQMWFEESA-N 1 2 302.334 0.092 10 0 endogenous,in-man DCAELO [NH3+][C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC000034051975 571749677 /nfs/dbraw/zinc/74/96/77/571749677.db2.gz OHUXOEXBXPZKPT-STQMWFEESA-N 1 2 302.334 0.092 10 0 endogenous,in-man DCAELO CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000722678874 658278134 /nfs/dbraw/zinc/27/81/34/658278134.db2.gz GUKSTFAXWSILBS-PWSUYJOCSA-N 1 2 306.366 0.933 10 0 DCAELO CN1C(=O)CN(C[NH+]2CCC(Nc3cccnn3)CC2)C1=O ZINC000182284150 665771415 /nfs/dbraw/zinc/77/14/15/665771415.db2.gz FAZPDFCCNREQQZ-UHFFFAOYSA-N 1 2 304.354 0.204 10 0 DCAELO CC(=O)OC1CC[NH+](CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)CC1 ZINC000156887198 664394728 /nfs/dbraw/zinc/39/47/28/664394728.db2.gz OFDCUHGLBDTCBF-KBPBESRZSA-N 1 2 306.362 0.923 10 0 DCAELO O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000172961980 664626081 /nfs/dbraw/zinc/62/60/81/664626081.db2.gz DEDFHCRAAYWMGZ-KFWWJZLASA-N 1 2 319.405 0.302 10 0 DCAELO O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000172961980 664626082 /nfs/dbraw/zinc/62/60/82/664626082.db2.gz DEDFHCRAAYWMGZ-KFWWJZLASA-N 1 2 319.405 0.302 10 0 DCAELO O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1CN1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172961980 664626083 /nfs/dbraw/zinc/62/60/83/664626083.db2.gz DEDFHCRAAYWMGZ-KFWWJZLASA-N 1 2 319.405 0.302 10 0 DCAELO C[C@H](CNC(=O)NC[C@H](O)c1ccsc1)[NH+]1CCOCC1 ZINC000153621921 664924772 /nfs/dbraw/zinc/92/47/72/664924772.db2.gz KDGVDOJMZFVSHZ-YPMHNXCESA-N 1 2 313.423 0.801 10 0 DCAELO COc1ccc2c(c1)N(CN1CC[NH+](C3CC3)CC1)C(=O)C2=O ZINC000129092571 669354430 /nfs/dbraw/zinc/35/44/30/669354430.db2.gz QDCWOIMGJOPFQR-UHFFFAOYSA-N 1 2 315.373 0.962 10 0 DCAELO Cc1ncc(C[NH+]2CCN(Cn3ncn(C)c3=O)CC2)s1 ZINC000132591227 669733491 /nfs/dbraw/zinc/73/34/91/669733491.db2.gz LYYOJKRJXDJVCX-UHFFFAOYSA-N 1 2 308.411 0.122 10 0 DCAELO COCCOC[C@H](O)C[N@@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC000712804784 670150956 /nfs/dbraw/zinc/15/09/56/670150956.db2.gz ZAAQSZGQWBHUKO-MNOVXSKESA-N 1 2 301.305 0.664 10 0 DCAELO COCCOC[C@H](O)C[N@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC000712804784 670150960 /nfs/dbraw/zinc/15/09/60/670150960.db2.gz ZAAQSZGQWBHUKO-MNOVXSKESA-N 1 2 301.305 0.664 10 0 DCAELO CC(=O)NC1CN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000189956801 670183094 /nfs/dbraw/zinc/18/30/94/670183094.db2.gz VNNNBZIYTDZJDP-UHFFFAOYSA-N 1 2 313.361 0.902 10 0 DCAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)Nc1ccc(Cl)nc1 ZINC000194769446 670456173 /nfs/dbraw/zinc/45/61/73/670456173.db2.gz VDUFYJWEOXBDPK-NSHDSACASA-N 1 2 314.773 0.550 10 0 DCAELO CCCC(=O)NC[C@@H]1CCC[N@H+](Cn2cc(C(=O)OC)nn2)C1 ZINC000101905188 671787275 /nfs/dbraw/zinc/78/72/75/671787275.db2.gz ATDFXIYJJPPOQL-LBPRGKRZSA-N 1 2 323.397 0.651 10 0 DCAELO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cn2cc(C(=O)OC)nn2)C1 ZINC000101905188 671787277 /nfs/dbraw/zinc/78/72/77/671787277.db2.gz ATDFXIYJJPPOQL-LBPRGKRZSA-N 1 2 323.397 0.651 10 0 DCAELO C[C@H]([NH2+]Cc1nccc(N)n1)c1ccc(S(N)(=O)=O)cc1 ZINC000182860620 1185190250 /nfs/dbraw/zinc/19/02/50/1185190250.db2.gz FHMIWLRDKVZXQL-VIFPVBQESA-N 1 2 307.379 0.557 10 0 DCAELO C[C@@H]([NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1nnnn1C ZINC000189817541 1187954003 /nfs/dbraw/zinc/95/40/03/1187954003.db2.gz WYTHBXHBFFEOFQ-DTWKUNHWSA-N 1 2 310.383 0.269 10 0 DCAELO Cn1cc([C@H]2CCN(C(=O)NC[C@@H]3C[N@H+](C)CCO3)C2)cn1 ZINC000172121501 198042255 /nfs/dbraw/zinc/04/22/55/198042255.db2.gz VTFIZJGUIWLZTQ-GXTWGEPZSA-N 1 2 307.398 0.250 10 0 DCAELO Cn1cc([C@H]2CCN(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)C2)cn1 ZINC000172121501 198042258 /nfs/dbraw/zinc/04/22/58/198042258.db2.gz VTFIZJGUIWLZTQ-GXTWGEPZSA-N 1 2 307.398 0.250 10 0 DCAELO CC(=O)NC[C@@H]1C[N@H+](C[C@H](O)COCc2ccccc2)CCO1 ZINC000172238550 198063270 /nfs/dbraw/zinc/06/32/70/198063270.db2.gz HNSHIYDMMHIORF-DLBZAZTESA-N 1 2 322.405 0.401 10 0 DCAELO CC(=O)NC[C@@H]1C[N@@H+](C[C@H](O)COCc2ccccc2)CCO1 ZINC000172238550 198063273 /nfs/dbraw/zinc/06/32/73/198063273.db2.gz HNSHIYDMMHIORF-DLBZAZTESA-N 1 2 322.405 0.401 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)CNC(=O)CC(C)(C)C)C[C@H]21 ZINC000408022613 283026099 /nfs/dbraw/zinc/02/60/99/283026099.db2.gz MFGASOPGGZFUNE-OLZOCXBDSA-N 1 2 311.426 0.470 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)CNC(=O)CC(C)(C)C)C[C@H]21 ZINC000408022613 283026103 /nfs/dbraw/zinc/02/61/03/283026103.db2.gz MFGASOPGGZFUNE-OLZOCXBDSA-N 1 2 311.426 0.470 10 0 DCAELO Cn1cnc(C(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)c1 ZINC000179340278 199018302 /nfs/dbraw/zinc/01/83/02/199018302.db2.gz CSYVDBRMLUVFDW-INIZCTEOSA-N 1 2 314.389 0.912 10 0 DCAELO Cc1[nH+]c2ccccc2n1CC(=O)N1CCOC[C@H]1C(N)=O ZINC000180192084 199129025 /nfs/dbraw/zinc/12/90/25/199129025.db2.gz VOJBTCINTNOMKT-ZDUSSCGKSA-N 1 2 302.334 0.057 10 0 DCAELO Cc1conc1NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000180257906 199137561 /nfs/dbraw/zinc/13/75/61/199137561.db2.gz UNTDEHLBQWTQFG-ZYHUDNBSSA-N 1 2 322.365 0.101 10 0 DCAELO C[NH+]1CCN(C(=O)C(=O)Nc2c[nH]nc2-c2ccccn2)CC1 ZINC000180993625 199238101 /nfs/dbraw/zinc/23/81/01/199238101.db2.gz WKAZQBCPBIIRHS-UHFFFAOYSA-N 1 2 314.349 0.184 10 0 DCAELO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H]1C[C@@H]1C ZINC000162360000 237108269 /nfs/dbraw/zinc/10/82/69/237108269.db2.gz AJYKENFIDJYQRR-GWCFXTLKSA-N 1 2 318.377 0.690 10 0 DCAELO CC(C)n1cnc(S(=O)(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1 ZINC000188724592 200294346 /nfs/dbraw/zinc/29/43/46/200294346.db2.gz MWZXITCPQAUEBZ-LBPRGKRZSA-N 1 2 316.427 0.151 10 0 DCAELO CC(C)n1cnc(S(=O)(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1 ZINC000188724592 200294347 /nfs/dbraw/zinc/29/43/47/200294347.db2.gz MWZXITCPQAUEBZ-LBPRGKRZSA-N 1 2 316.427 0.151 10 0 DCAELO CC(C)Cc1ncc(C[N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)s1 ZINC000091867075 193119865 /nfs/dbraw/zinc/11/98/65/193119865.db2.gz KKWFEPBDPRABKO-NSHDSACASA-N 1 2 322.434 0.484 10 0 DCAELO CC(C)Cc1ncc(C[N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)s1 ZINC000091867075 193119867 /nfs/dbraw/zinc/11/98/67/193119867.db2.gz KKWFEPBDPRABKO-NSHDSACASA-N 1 2 322.434 0.484 10 0 DCAELO COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000408335386 291380867 /nfs/dbraw/zinc/38/08/67/291380867.db2.gz HDRAKBOGOMQQDV-LOWDOPEQSA-N 1 2 318.439 0.682 10 0 DCAELO COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000408335386 291380868 /nfs/dbraw/zinc/38/08/68/291380868.db2.gz HDRAKBOGOMQQDV-LOWDOPEQSA-N 1 2 318.439 0.682 10 0 DCAELO COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000408335387 291380876 /nfs/dbraw/zinc/38/08/76/291380876.db2.gz HDRAKBOGOMQQDV-LPWJVIDDSA-N 1 2 318.439 0.682 10 0 DCAELO COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000408335387 291380877 /nfs/dbraw/zinc/38/08/77/291380877.db2.gz HDRAKBOGOMQQDV-LPWJVIDDSA-N 1 2 318.439 0.682 10 0 DCAELO O=C(c1n[nH]c2c1CCCC2)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172747626 284596788 /nfs/dbraw/zinc/59/67/88/284596788.db2.gz NQRHETHOVMEXKB-LBPRGKRZSA-N 1 2 304.394 0.835 10 0 DCAELO Cc1nnc2ccc(-c3nc([C@H]4C[NH+]5CCN4CC5)no3)cn12 ZINC000273983530 211240575 /nfs/dbraw/zinc/24/05/75/211240575.db2.gz LCEOVOHTWXNCKQ-GFCCVEGCSA-N 1 2 311.349 0.760 10 0 DCAELO CN(Cc1nccn1C(F)F)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000104797618 194042581 /nfs/dbraw/zinc/04/25/81/194042581.db2.gz YNTLYWXCSVDCNT-SNVBAGLBSA-N 1 2 317.340 0.750 10 0 DCAELO CN(Cc1nccn1C(F)F)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000104797618 194042583 /nfs/dbraw/zinc/04/25/83/194042583.db2.gz YNTLYWXCSVDCNT-SNVBAGLBSA-N 1 2 317.340 0.750 10 0 DCAELO O=C(NCc1ccccc1-n1cc[nH+]c1)N1CCNC(=O)CC1 ZINC000105185408 194082623 /nfs/dbraw/zinc/08/26/23/194082623.db2.gz YIODVXBGJYPUSL-UHFFFAOYSA-N 1 2 313.361 0.904 10 0 DCAELO CC[C@@H](C(N)=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000105894460 194160625 /nfs/dbraw/zinc/16/06/25/194160625.db2.gz JMAJGUHCEXGGTA-ZBFHGGJFSA-N 1 2 321.421 0.308 10 0 DCAELO CC[C@@H](C(N)=O)[NH+]1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000105894460 194160628 /nfs/dbraw/zinc/16/06/28/194160628.db2.gz JMAJGUHCEXGGTA-ZBFHGGJFSA-N 1 2 321.421 0.308 10 0 DCAELO c1c2n(nc1-c1nc([C@H]3C[NH+]4CCN3CC4)no1)CCCC2 ZINC000333865425 252770413 /nfs/dbraw/zinc/77/04/13/252770413.db2.gz SPTAQTMSLSKLSU-CYBMUJFWSA-N 1 2 300.366 0.942 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(CO)c(F)c3)C[C@@H]21 ZINC000286405515 218968928 /nfs/dbraw/zinc/96/89/28/218968928.db2.gz OATLFUKHLJFDGS-GJZGRUSLSA-N 1 2 308.353 0.863 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(CO)c(F)c3)C[C@@H]21 ZINC000286405515 218968931 /nfs/dbraw/zinc/96/89/31/218968931.db2.gz OATLFUKHLJFDGS-GJZGRUSLSA-N 1 2 308.353 0.863 10 0 DCAELO CN(C[C@@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C)C(=O)[C@@H]1CCCO1 ZINC000351946730 254382787 /nfs/dbraw/zinc/38/27/87/254382787.db2.gz HXPWGTYCSKLOFC-RDBSUJKOSA-N 1 2 324.400 0.970 10 0 DCAELO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@@H]2C[C@H]2C)CC1 ZINC000155046804 533196345 /nfs/dbraw/zinc/19/63/45/533196345.db2.gz DDLHCUWYLFQIIF-HZSPNIEDSA-N 1 2 308.426 0.733 10 0 DCAELO Cc1cc(NC(=O)C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)no1 ZINC000173963199 291945582 /nfs/dbraw/zinc/94/55/82/291945582.db2.gz UXTMAKKZCLDQTM-PWSUYJOCSA-N 1 2 322.365 0.101 10 0 DCAELO CN(C)C(=O)CO[C@H]1Cn2nccc2C[N@H+](Cc2ccco2)C1 ZINC000247993404 257113069 /nfs/dbraw/zinc/11/30/69/257113069.db2.gz LYQVOMGVVMVANO-OAHLLOKOSA-N 1 2 318.377 0.965 10 0 DCAELO CN(C)C(=O)CO[C@H]1Cn2nccc2C[N@@H+](Cc2ccco2)C1 ZINC000247993404 257113070 /nfs/dbraw/zinc/11/30/70/257113070.db2.gz LYQVOMGVVMVANO-OAHLLOKOSA-N 1 2 318.377 0.965 10 0 DCAELO C[C@@H](O)C1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000155201683 533579474 /nfs/dbraw/zinc/57/94/74/533579474.db2.gz QBKXUFXPJULMOF-CYBMUJFWSA-N 1 2 313.442 0.900 10 0 DCAELO C[C@H](Oc1cccnc1)C(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000283966527 131036783 /nfs/dbraw/zinc/03/67/83/131036783.db2.gz GSATWYODYUXCSE-NWANDNLSSA-N 1 2 305.378 0.780 10 0 DCAELO C[C@H](Oc1cccnc1)C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000283966527 131036784 /nfs/dbraw/zinc/03/67/84/131036784.db2.gz GSATWYODYUXCSE-NWANDNLSSA-N 1 2 305.378 0.780 10 0 DCAELO CSCCNC(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1ccccc1 ZINC000012204522 395687237 /nfs/dbraw/zinc/68/72/37/395687237.db2.gz IZAYCUVVSNEMJD-CQSZACIVSA-N 1 2 321.446 0.856 10 0 DCAELO CSCCNC(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccccc1 ZINC000012204522 395687238 /nfs/dbraw/zinc/68/72/38/395687238.db2.gz IZAYCUVVSNEMJD-CQSZACIVSA-N 1 2 321.446 0.856 10 0 DCAELO CCOC(=O)NCC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000042497667 395745927 /nfs/dbraw/zinc/74/59/27/395745927.db2.gz WEKAVHGPFOCNMQ-UHFFFAOYSA-N 1 2 303.322 0.630 10 0 DCAELO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cncc(F)c2)C[N@@H+]1C ZINC000096138857 395746055 /nfs/dbraw/zinc/74/60/55/395746055.db2.gz ULNKVVJJGZUSLZ-KGLIPLIRSA-N 1 2 322.384 0.892 10 0 DCAELO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cncc(F)c2)C[N@H+]1C ZINC000096138857 395746057 /nfs/dbraw/zinc/74/60/57/395746057.db2.gz ULNKVVJJGZUSLZ-KGLIPLIRSA-N 1 2 322.384 0.892 10 0 DCAELO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1csc(C(F)(F)F)n1 ZINC000193629360 395774468 /nfs/dbraw/zinc/77/44/68/395774468.db2.gz SAVFXDUBHSSAGW-MRVPVSSYSA-N 1 2 320.340 0.892 10 0 DCAELO C[C@H](CNS(=O)(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CCOCC1 ZINC000046407390 395776262 /nfs/dbraw/zinc/77/62/62/395776262.db2.gz IXTYKCHLPUQEBJ-HZSPNIEDSA-N 1 2 319.471 0.519 10 0 DCAELO C[C@H](CNS(=O)(=O)N1C[C@H](C)C[C@@H](C)C1)[NH+]1CCOCC1 ZINC000046407392 395776568 /nfs/dbraw/zinc/77/65/68/395776568.db2.gz IXTYKCHLPUQEBJ-MGPQQGTHSA-N 1 2 319.471 0.519 10 0 DCAELO CC(=O)c1cccc(OCC(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000194615970 395802697 /nfs/dbraw/zinc/80/26/97/395802697.db2.gz WFECXAPWVJZIIH-HNNXBMFYSA-N 1 2 306.362 0.715 10 0 DCAELO CC(=O)c1cccc(OCC(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000194615970 395802701 /nfs/dbraw/zinc/80/27/01/395802701.db2.gz WFECXAPWVJZIIH-HNNXBMFYSA-N 1 2 306.362 0.715 10 0 DCAELO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)C[C@H](C)O1 ZINC000111273891 395805815 /nfs/dbraw/zinc/80/58/15/395805815.db2.gz ZKEDNKPKUYYANQ-SGMGOOAPSA-N 1 2 311.426 0.611 10 0 DCAELO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)C[C@H](C)O1 ZINC000111273891 395805818 /nfs/dbraw/zinc/80/58/18/395805818.db2.gz ZKEDNKPKUYYANQ-SGMGOOAPSA-N 1 2 311.426 0.611 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)C1 ZINC000194724419 395806038 /nfs/dbraw/zinc/80/60/38/395806038.db2.gz ROXPXUKDLJQZCF-ZFWWWQNUSA-N 1 2 321.352 0.766 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)C1 ZINC000194724419 395806040 /nfs/dbraw/zinc/80/60/40/395806040.db2.gz ROXPXUKDLJQZCF-ZFWWWQNUSA-N 1 2 321.352 0.766 10 0 DCAELO CCCCCN(CCO)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000112438802 395818133 /nfs/dbraw/zinc/81/81/33/395818133.db2.gz PJPIMPOQIOLAPT-CQSZACIVSA-N 1 2 301.431 0.901 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@@](C)(O)c2ccccc2)C1 ZINC000114526733 395835652 /nfs/dbraw/zinc/83/56/52/395835652.db2.gz CHOWQQZGBDQFHU-GOEBONIOSA-N 1 2 307.394 0.524 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)NC[C@@](C)(O)c2ccccc2)C1 ZINC000114526733 395835655 /nfs/dbraw/zinc/83/56/55/395835655.db2.gz CHOWQQZGBDQFHU-GOEBONIOSA-N 1 2 307.394 0.524 10 0 DCAELO CCc1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCO2)cc1 ZINC000118115581 395860614 /nfs/dbraw/zinc/86/06/14/395860614.db2.gz YRNVGTNVDCZDDY-AWEZNQCLSA-N 1 2 305.378 0.634 10 0 DCAELO CCc1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000118115581 395860617 /nfs/dbraw/zinc/86/06/17/395860617.db2.gz YRNVGTNVDCZDDY-AWEZNQCLSA-N 1 2 305.378 0.634 10 0 DCAELO Cc1nn(C)c(Cl)c1C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116890435 395849089 /nfs/dbraw/zinc/84/90/89/395849089.db2.gz QICJDPWDSMHECM-VIFPVBQESA-N 1 2 306.819 0.505 10 0 DCAELO Cc1nn(C)c(Cl)c1C[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116890435 395849090 /nfs/dbraw/zinc/84/90/90/395849090.db2.gz QICJDPWDSMHECM-VIFPVBQESA-N 1 2 306.819 0.505 10 0 DCAELO CCNC(=O)C[NH+](CCc1ccc(F)cc1)CC(=O)NCC ZINC000047613568 395796809 /nfs/dbraw/zinc/79/68/09/395796809.db2.gz FTCPMVIWLITKJF-UHFFFAOYSA-N 1 2 309.385 0.942 10 0 DCAELO COCC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(C)nc2)C[C@@H]1C ZINC000119413243 395870681 /nfs/dbraw/zinc/87/06/81/395870681.db2.gz ZRQRCUHPHVIPNX-ZDUSSCGKSA-N 1 2 320.393 0.508 10 0 DCAELO COCC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(C)nc2)C[C@@H]1C ZINC000119413243 395870684 /nfs/dbraw/zinc/87/06/84/395870684.db2.gz ZRQRCUHPHVIPNX-ZDUSSCGKSA-N 1 2 320.393 0.508 10 0 DCAELO O=C(CCOCc1ccccc1)NC[C@H](O)C[NH+]1CCOCC1 ZINC000119574185 395872115 /nfs/dbraw/zinc/87/21/15/395872115.db2.gz HSVDXPNJEKNIIX-INIZCTEOSA-N 1 2 322.405 0.403 10 0 DCAELO C[C@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000273625960 395934345 /nfs/dbraw/zinc/93/43/45/395934345.db2.gz RRKPTPJHWVBIRX-JQWIXIFHSA-N 1 2 307.350 0.171 10 0 DCAELO COc1ccccc1C(=O)C(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000248885192 395999471 /nfs/dbraw/zinc/99/94/71/395999471.db2.gz QEQJACFEESHQMB-OLZOCXBDSA-N 1 2 320.389 0.791 10 0 DCAELO COc1ccccc1C(=O)C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000248885192 395999472 /nfs/dbraw/zinc/99/94/72/395999472.db2.gz QEQJACFEESHQMB-OLZOCXBDSA-N 1 2 320.389 0.791 10 0 DCAELO C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)N[C@H]2CCCOC2)C1 ZINC000276469215 395999752 /nfs/dbraw/zinc/99/97/52/395999752.db2.gz NMLJFPQURKWTIG-KBPBESRZSA-N 1 2 319.409 0.871 10 0 DCAELO C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)N[C@H]2CCCOC2)C1 ZINC000276469215 395999754 /nfs/dbraw/zinc/99/97/54/395999754.db2.gz NMLJFPQURKWTIG-KBPBESRZSA-N 1 2 319.409 0.871 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@]2(O)CCc3ccccc32)C1 ZINC000246553400 395952757 /nfs/dbraw/zinc/95/27/57/395952757.db2.gz LHDTWHFFJDZQKJ-PBHICJAKSA-N 1 2 319.405 0.450 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)NC[C@@]2(O)CCc3ccccc32)C1 ZINC000246553400 395952759 /nfs/dbraw/zinc/95/27/59/395952759.db2.gz LHDTWHFFJDZQKJ-PBHICJAKSA-N 1 2 319.405 0.450 10 0 DCAELO CCc1cc(=O)[nH]c(CN2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1 ZINC000246638476 395955309 /nfs/dbraw/zinc/95/53/09/395955309.db2.gz OQAPFFUCJQUCTL-JSGCOSHPSA-N 1 2 306.410 0.897 10 0 DCAELO CCc1cc(=O)[nH]c(C[N@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)n1 ZINC000246638476 395955312 /nfs/dbraw/zinc/95/53/12/395955312.db2.gz OQAPFFUCJQUCTL-JSGCOSHPSA-N 1 2 306.410 0.897 10 0 DCAELO CCc1cc(=O)[nH]c(C[N@@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)n1 ZINC000246638476 395955317 /nfs/dbraw/zinc/95/53/17/395955317.db2.gz OQAPFFUCJQUCTL-JSGCOSHPSA-N 1 2 306.410 0.897 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)C1 ZINC000246844906 395959424 /nfs/dbraw/zinc/95/94/24/395959424.db2.gz BCNBCQFPWLSHGN-LZWOXQAQSA-N 1 2 311.426 0.654 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)C1 ZINC000246844906 395959425 /nfs/dbraw/zinc/95/94/25/395959425.db2.gz BCNBCQFPWLSHGN-LZWOXQAQSA-N 1 2 311.426 0.654 10 0 DCAELO Cc1nn(C)c(C)c1OCC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000150939232 395975869 /nfs/dbraw/zinc/97/58/69/395975869.db2.gz VCYNFLUNRIQRGY-CQSZACIVSA-N 1 2 322.409 0.349 10 0 DCAELO CC[NH+](CC)[C@@H](C)CNC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000063737447 395980752 /nfs/dbraw/zinc/98/07/52/395980752.db2.gz DZPDBSXYGCOQSV-VIFPVBQESA-N 1 2 319.365 0.484 10 0 DCAELO Cc1ccc(OCC(=O)NC[C@H](O)C[NH+]2CCOCC2)cc1C ZINC000154121631 396032273 /nfs/dbraw/zinc/03/22/73/396032273.db2.gz ACHVULRXPMJAAZ-HNNXBMFYSA-N 1 2 322.405 0.492 10 0 DCAELO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCOC2(CCC2)C1 ZINC000154171875 396033725 /nfs/dbraw/zinc/03/37/25/396033725.db2.gz CXEZLMMDDYOXGG-LBPRGKRZSA-N 1 2 309.410 0.367 10 0 DCAELO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCOC2(CCC2)C1 ZINC000154171875 396033727 /nfs/dbraw/zinc/03/37/27/396033727.db2.gz CXEZLMMDDYOXGG-LBPRGKRZSA-N 1 2 309.410 0.367 10 0 DCAELO C[C@H](CNC(=O)[C@H]1CCO[C@@H]1c1cccnc1)[NH+]1CCOCC1 ZINC000276560523 396010230 /nfs/dbraw/zinc/01/02/30/396010230.db2.gz KJMXHIQBGUBCAP-VNQPRFMTSA-N 1 2 319.405 0.996 10 0 DCAELO OC[C@@H]1CCCN1c1cc(N[C@@H]2CCc3ncnn3C2)[nH+]cn1 ZINC000170999800 396103029 /nfs/dbraw/zinc/10/30/29/396103029.db2.gz QPWOAWZISAJEMJ-NEPJUHHUSA-N 1 2 315.381 0.456 10 0 DCAELO OC[C@@H]1CCCN1c1cc(N[C@@H]2CCc3ncnn3C2)nc[nH+]1 ZINC000170999800 396103030 /nfs/dbraw/zinc/10/30/30/396103030.db2.gz QPWOAWZISAJEMJ-NEPJUHHUSA-N 1 2 315.381 0.456 10 0 DCAELO C[C@@H](O)c1ccc(CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000171672911 396122542 /nfs/dbraw/zinc/12/25/42/396122542.db2.gz DLVHYVULJGWUQA-IUODEOHRSA-N 1 2 307.394 0.870 10 0 DCAELO C[C@@H](O)c1ccc(CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000171672911 396122546 /nfs/dbraw/zinc/12/25/46/396122546.db2.gz DLVHYVULJGWUQA-IUODEOHRSA-N 1 2 307.394 0.870 10 0 DCAELO CC[C@@H]1CN(C(=O)CCCS(C)(=O)=O)CC[N@@H+]1C[C@@H](C)O ZINC000174625064 396138666 /nfs/dbraw/zinc/13/86/66/396138666.db2.gz RPPTVEOFTVDXOS-CHWSQXEVSA-N 1 2 320.455 0.115 10 0 DCAELO CC[C@@H]1CN(C(=O)CCCS(C)(=O)=O)CC[N@H+]1C[C@@H](C)O ZINC000174625064 396138668 /nfs/dbraw/zinc/13/86/68/396138668.db2.gz RPPTVEOFTVDXOS-CHWSQXEVSA-N 1 2 320.455 0.115 10 0 DCAELO CN(CC(=O)NCc1ccccc1)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263219933 396206828 /nfs/dbraw/zinc/20/68/28/396206828.db2.gz LRYJATNGCVFPDH-GFCCVEGCSA-N 1 2 311.332 0.758 10 0 DCAELO O=C([C@@H]1CCCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1)N1CCCC1 ZINC000263251066 396209149 /nfs/dbraw/zinc/20/91/49/396209149.db2.gz PXYUHNDSFBMLGP-NEPJUHHUSA-N 1 2 315.364 0.845 10 0 DCAELO C[C@H]1CN(C(=O)NCCn2ccnc2)C[C@@H]1[NH+]1CCOCC1 ZINC000177298133 396170846 /nfs/dbraw/zinc/17/08/46/396170846.db2.gz GDWCVBQZKYKCBH-KBPBESRZSA-N 1 2 307.398 0.245 10 0 DCAELO CC(C)N1CCC[C@@H]([NH+]2CCN(c3cccnn3)CC2)C1=O ZINC000177700255 396181813 /nfs/dbraw/zinc/18/18/13/396181813.db2.gz JKSYXBJVEANWLA-CQSZACIVSA-N 1 2 303.410 0.998 10 0 DCAELO Cn1c(=O)cc(C[N@@H+]2CCO[C@H](c3cccs3)C2)n(C)c1=O ZINC000177745723 396182252 /nfs/dbraw/zinc/18/22/52/396182252.db2.gz DBJRUHPNSVBNCR-LBPRGKRZSA-N 1 2 321.402 0.719 10 0 DCAELO Cn1c(=O)cc(C[N@H+]2CCO[C@H](c3cccs3)C2)n(C)c1=O ZINC000177745723 396182254 /nfs/dbraw/zinc/18/22/54/396182254.db2.gz DBJRUHPNSVBNCR-LBPRGKRZSA-N 1 2 321.402 0.719 10 0 DCAELO CCc1nnc([C@@H]2CN(c3[nH+]cnc4c3cnn4C)CCO2)[nH]1 ZINC000178286876 396193016 /nfs/dbraw/zinc/19/30/16/396193016.db2.gz JYFIUMCCCFZONL-JTQLQIEISA-N 1 2 314.353 0.622 10 0 DCAELO CCc1nc([C@@H]2CN(c3[nH+]cnc4c3cnn4C)CCO2)n[nH]1 ZINC000178286876 396193020 /nfs/dbraw/zinc/19/30/20/396193020.db2.gz JYFIUMCCCFZONL-JTQLQIEISA-N 1 2 314.353 0.622 10 0 DCAELO CCc1nnc([C@H]2CN(c3[nH+]cnc4c3cnn4C)CCO2)[nH]1 ZINC000178286893 396193217 /nfs/dbraw/zinc/19/32/17/396193217.db2.gz JYFIUMCCCFZONL-SNVBAGLBSA-N 1 2 314.353 0.622 10 0 DCAELO CCc1nc([C@H]2CN(c3[nH+]cnc4c3cnn4C)CCO2)n[nH]1 ZINC000178286893 396193221 /nfs/dbraw/zinc/19/32/21/396193221.db2.gz JYFIUMCCCFZONL-SNVBAGLBSA-N 1 2 314.353 0.622 10 0 DCAELO O=C(CCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)N1CCCCCC1 ZINC000262950921 396193570 /nfs/dbraw/zinc/19/35/70/396193570.db2.gz JQRYDLXSCMIBSI-NSHDSACASA-N 1 2 303.353 0.893 10 0 DCAELO CN(C(=O)CNC(=O)[C@H]1CC(F)(F)C[NH2+]1)C1CCCCC1 ZINC000263075038 396200853 /nfs/dbraw/zinc/20/08/53/396200853.db2.gz WYAFKRSGIDLYEF-LLVKDONJSA-N 1 2 303.353 0.891 10 0 DCAELO O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCCN(c2cccnn2)CC1 ZINC000263310227 396212537 /nfs/dbraw/zinc/21/25/37/396212537.db2.gz YLDIMZWHIXKDOG-LLVKDONJSA-N 1 2 311.336 0.513 10 0 DCAELO O=C(Nc1ccc(Cl)nc1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000077739498 396230641 /nfs/dbraw/zinc/23/06/41/396230641.db2.gz HGDJQANZWKWHMZ-UHFFFAOYSA-N 1 2 308.769 0.980 10 0 DCAELO C[C@@H](NC(=O)NCc1ccc[nH+]c1N1CCOCC1)[C@H](C)CO ZINC000077772731 396232682 /nfs/dbraw/zinc/23/26/82/396232682.db2.gz PKZCDKJRSUNBLY-CHWSQXEVSA-N 1 2 322.409 0.734 10 0 DCAELO COCCCCS(=O)(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000184954215 396311725 /nfs/dbraw/zinc/31/17/25/396311725.db2.gz IBDANXWVDRXANA-AWEZNQCLSA-N 1 2 320.455 0.539 10 0 DCAELO Cc1cc(C[NH+]2CCN(c3cncc(C(N)=O)n3)CC2)on1 ZINC000080765822 396285899 /nfs/dbraw/zinc/28/58/99/396285899.db2.gz SRROTZBMXURYFW-UHFFFAOYSA-N 1 2 302.338 0.194 10 0 DCAELO Cc1ccc2nc(NC(=O)C[N@@H+]3C[C@H](O)C[C@@H]3CO)sc2c1 ZINC000184724217 396302524 /nfs/dbraw/zinc/30/25/24/396302524.db2.gz HWICRMUFTOGDAY-GHMZBOCLSA-N 1 2 321.402 0.971 10 0 DCAELO Cc1ccc2nc(NC(=O)C[N@H+]3C[C@H](O)C[C@@H]3CO)sc2c1 ZINC000184724217 396302526 /nfs/dbraw/zinc/30/25/26/396302526.db2.gz HWICRMUFTOGDAY-GHMZBOCLSA-N 1 2 321.402 0.971 10 0 DCAELO CC[C@@H](O)C[NH+]1CCN(C(=O)c2cc(C(=O)OC)co2)CC1 ZINC000186305939 396347483 /nfs/dbraw/zinc/34/74/83/396347483.db2.gz WOBUYVABDUNHDT-GFCCVEGCSA-N 1 2 310.350 0.595 10 0 DCAELO CCN(C[C@@H](O)C(F)(F)F)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000187019599 396361784 /nfs/dbraw/zinc/36/17/84/396361784.db2.gz BGUVMROFKUZDBJ-NXEZZACHSA-N 1 2 313.320 0.272 10 0 DCAELO CCN(C[C@@H](O)C(F)(F)F)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000187019599 396361786 /nfs/dbraw/zinc/36/17/86/396361786.db2.gz BGUVMROFKUZDBJ-NXEZZACHSA-N 1 2 313.320 0.272 10 0 DCAELO O=c1nc(C[N@H+]2C[C@@H](O)C[C@H]2CO)[nH]c2sc3c(c21)CCC3 ZINC000186537559 396352074 /nfs/dbraw/zinc/35/20/74/396352074.db2.gz CGNXZEAFTBSPLQ-IUCAKERBSA-N 1 2 321.402 0.401 10 0 DCAELO O=c1nc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)[nH]c2sc3c(c21)CCC3 ZINC000186537559 396352076 /nfs/dbraw/zinc/35/20/76/396352076.db2.gz CGNXZEAFTBSPLQ-IUCAKERBSA-N 1 2 321.402 0.401 10 0 DCAELO C[C@@H]1CN(C(=O)CSCc2ccccn2)CC[N@@H+]1CCO ZINC000188805073 396386196 /nfs/dbraw/zinc/38/61/96/396386196.db2.gz FXAMMUSIRRKABE-CYBMUJFWSA-N 1 2 309.435 0.840 10 0 DCAELO C[C@@H]1CN(C(=O)CSCc2ccccn2)CC[N@H+]1CCO ZINC000188805073 396386198 /nfs/dbraw/zinc/38/61/98/396386198.db2.gz FXAMMUSIRRKABE-CYBMUJFWSA-N 1 2 309.435 0.840 10 0 DCAELO CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1CCCN(CCOC)C(=O)C1 ZINC000190790587 396411979 /nfs/dbraw/zinc/41/19/79/396411979.db2.gz ZGQFZPOQZRFDIR-CYBMUJFWSA-N 1 2 313.442 0.860 10 0 DCAELO CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1CCCN(CCOC)C(=O)C1 ZINC000190790587 396411981 /nfs/dbraw/zinc/41/19/81/396411981.db2.gz ZGQFZPOQZRFDIR-CYBMUJFWSA-N 1 2 313.442 0.860 10 0 DCAELO CN1CCC[N@H+](CC(=O)NC(=O)NCc2cccs2)CC1=O ZINC000191147852 396415692 /nfs/dbraw/zinc/41/56/92/396415692.db2.gz WIOGGODKPVIOJM-UHFFFAOYSA-N 1 2 324.406 0.238 10 0 DCAELO CN1CCC[N@@H+](CC(=O)NC(=O)NCc2cccs2)CC1=O ZINC000191147852 396415694 /nfs/dbraw/zinc/41/56/94/396415694.db2.gz WIOGGODKPVIOJM-UHFFFAOYSA-N 1 2 324.406 0.238 10 0 DCAELO CCN1CN(CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1=O ZINC000191536841 396421546 /nfs/dbraw/zinc/42/15/46/396421546.db2.gz BPVODWMZADKNHV-UHFFFAOYSA-N 1 2 320.393 0.045 10 0 DCAELO C[C@H]1CN(C(=O)c2snnc2C(C)(C)C)CC[N@@H+]1CCO ZINC000191971684 396427696 /nfs/dbraw/zinc/42/76/96/396427696.db2.gz KNHOTENJITZIEY-JTQLQIEISA-N 1 2 312.439 0.974 10 0 DCAELO C[C@H]1CN(C(=O)c2snnc2C(C)(C)C)CC[N@H+]1CCO ZINC000191971684 396427699 /nfs/dbraw/zinc/42/76/99/396427699.db2.gz KNHOTENJITZIEY-JTQLQIEISA-N 1 2 312.439 0.974 10 0 DCAELO CC(=O)N1CC[NH+](CCNc2nccn(C(F)F)c2=O)CC1 ZINC000288021318 396437639 /nfs/dbraw/zinc/43/76/39/396437639.db2.gz CBPAVWIORAXRMA-UHFFFAOYSA-N 1 2 315.324 0.214 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)CCC(C)=O)nc[nH+]1 ZINC000192938664 396441287 /nfs/dbraw/zinc/44/12/87/396441287.db2.gz KDEVZGVCJOONBM-LBPRGKRZSA-N 1 2 305.382 0.973 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)CCC(C)=O)[nH+]cn1 ZINC000192938664 396441289 /nfs/dbraw/zinc/44/12/89/396441289.db2.gz KDEVZGVCJOONBM-LBPRGKRZSA-N 1 2 305.382 0.973 10 0 DCAELO COc1cccc(CNC(=O)C[N@@H+]2CCN3CCOC[C@H]3C2)c1 ZINC000371834883 396478224 /nfs/dbraw/zinc/47/82/24/396478224.db2.gz OAIXSTGNCVNZAM-OAHLLOKOSA-N 1 2 319.405 0.328 10 0 DCAELO COc1cccc(CNC(=O)C[N@H+]2CCN3CCOC[C@H]3C2)c1 ZINC000371834883 396478225 /nfs/dbraw/zinc/47/82/25/396478225.db2.gz OAIXSTGNCVNZAM-OAHLLOKOSA-N 1 2 319.405 0.328 10 0 DCAELO C[C@@H]1CCCN(C(=O)C(=O)N2CC[NH2+][C@H](c3cccnc3)C2)C1 ZINC000374362910 396657757 /nfs/dbraw/zinc/65/77/57/396657757.db2.gz GZNBSBYFBQVPNP-HIFRSBDPSA-N 1 2 316.405 0.813 10 0 DCAELO O[C@H](CN1CCOc2cccc(F)c2C1)C[NH+]1CCOCC1 ZINC000374505047 396668876 /nfs/dbraw/zinc/66/88/76/396668876.db2.gz MUTCDOUMNJSKLF-ZDUSSCGKSA-N 1 2 310.369 0.713 10 0 DCAELO O[C@@H](CN1CCOCC1)C[N@@H+]1CCOc2cccc(F)c2C1 ZINC000374505047 396668878 /nfs/dbraw/zinc/66/88/78/396668878.db2.gz MUTCDOUMNJSKLF-ZDUSSCGKSA-N 1 2 310.369 0.713 10 0 DCAELO O[C@@H](CN1CCOCC1)C[N@H+]1CCOc2cccc(F)c2C1 ZINC000374505047 396668880 /nfs/dbraw/zinc/66/88/80/396668880.db2.gz MUTCDOUMNJSKLF-ZDUSSCGKSA-N 1 2 310.369 0.713 10 0 DCAELO CC(=O)N1CCN(C(=O)[C@@H](C)N2CCn3cc(C)[nH+]c3C2)CC1 ZINC000374646319 396678787 /nfs/dbraw/zinc/67/87/87/396678787.db2.gz LEJYINMATUQDLT-CYBMUJFWSA-N 1 2 319.409 0.086 10 0 DCAELO CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)C(C)(CO)CO)C1 ZINC000328620201 396825034 /nfs/dbraw/zinc/82/50/34/396825034.db2.gz GUQNOLKWZHNKIM-GFCCVEGCSA-N 1 2 323.393 0.118 10 0 DCAELO CN1CCN(C(=O)Cn2ccccc2=O)C[C@H]1c1[nH]cc[nH+]1 ZINC000328633005 396827447 /nfs/dbraw/zinc/82/74/47/396827447.db2.gz SFKPDGFQFQTLMV-LBPRGKRZSA-N 1 2 301.350 0.087 10 0 DCAELO C/C=C/C[C@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)C(=O)OCC ZINC000617856374 396842810 /nfs/dbraw/zinc/84/28/10/396842810.db2.gz BKAOCKRKKPVHBH-BPJJOFIESA-N 1 2 318.439 0.898 10 0 DCAELO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@H](C(N)=O)C1 ZINC000625735594 396989230 /nfs/dbraw/zinc/98/92/30/396989230.db2.gz GDBVRKYDEQLUGQ-FQUUOJAGSA-N 1 2 311.426 0.741 10 0 DCAELO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@H](C(N)=O)C1 ZINC000625735594 396989233 /nfs/dbraw/zinc/98/92/33/396989233.db2.gz GDBVRKYDEQLUGQ-FQUUOJAGSA-N 1 2 311.426 0.741 10 0 DCAELO C[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C)[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000625735857 396991101 /nfs/dbraw/zinc/99/11/01/396991101.db2.gz PHJPSCLDYZONFV-MRTXSQPYSA-N 1 2 311.426 0.644 10 0 DCAELO C[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C)[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000625735857 396991108 /nfs/dbraw/zinc/99/11/08/396991108.db2.gz PHJPSCLDYZONFV-MRTXSQPYSA-N 1 2 311.426 0.644 10 0 DCAELO C[C@H]([C@H](C)NC(=O)N1CC[C@H](CC(N)=O)C1)[NH+]1CCOCC1 ZINC000376755127 396974978 /nfs/dbraw/zinc/97/49/78/396974978.db2.gz LHVVNCHLJUUGIN-YNEHKIRRSA-N 1 2 312.414 0.003 10 0 DCAELO CC1(C)C[N@H+](CCNC(=O)N2CC[C@@H](CC(N)=O)C2)CCO1 ZINC000376775641 396976249 /nfs/dbraw/zinc/97/62/49/396976249.db2.gz DTGOWXSVQFDYSJ-LBPRGKRZSA-N 1 2 312.414 0.004 10 0 DCAELO CC1(C)C[N@@H+](CCNC(=O)N2CC[C@@H](CC(N)=O)C2)CCO1 ZINC000376775641 396976257 /nfs/dbraw/zinc/97/62/57/396976257.db2.gz DTGOWXSVQFDYSJ-LBPRGKRZSA-N 1 2 312.414 0.004 10 0 DCAELO c1n[nH]c2c1CC[C@@H]([NH2+]Cc1cn(C[C@@H]3CCOC3)nn1)C2 ZINC000631091022 397168044 /nfs/dbraw/zinc/16/80/44/397168044.db2.gz OEVGGKQOYAYGLW-WCQYABFASA-N 1 2 302.382 0.685 10 0 DCAELO C[C@@H]1C[N@H+](CCO)CCN1c1ncncc1Br ZINC000572931132 397112896 /nfs/dbraw/zinc/11/28/96/397112896.db2.gz RYKVPSNVJHGWKC-SECBINFHSA-N 1 2 301.188 0.742 10 0 DCAELO C[C@@H]1C[N@@H+](CCO)CCN1c1ncncc1Br ZINC000572931132 397112900 /nfs/dbraw/zinc/11/29/00/397112900.db2.gz RYKVPSNVJHGWKC-SECBINFHSA-N 1 2 301.188 0.742 10 0 DCAELO CCS(=O)(=O)CCCCC[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000364483024 397209488 /nfs/dbraw/zinc/20/94/88/397209488.db2.gz WOAQAHMCMQNACE-AWEZNQCLSA-N 1 2 304.456 0.608 10 0 DCAELO CCS(=O)(=O)CCCCC[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000364483024 397209492 /nfs/dbraw/zinc/20/94/92/397209492.db2.gz WOAQAHMCMQNACE-AWEZNQCLSA-N 1 2 304.456 0.608 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@]1(CO)CCOC1)C2 ZINC000364551814 397219414 /nfs/dbraw/zinc/21/94/14/397219414.db2.gz OXWKNLJAPMTCKM-BZNIZROVSA-N 1 2 307.394 0.906 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@]1(CO)CCOC1)CC2 ZINC000364551814 397219418 /nfs/dbraw/zinc/21/94/18/397219418.db2.gz OXWKNLJAPMTCKM-BZNIZROVSA-N 1 2 307.394 0.906 10 0 DCAELO CC(=O)N[C@H]1CCCN(C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000407968411 397340798 /nfs/dbraw/zinc/34/07/98/397340798.db2.gz SWIKVINXZZTHNW-OCCSQVGLSA-N 1 2 312.414 0.017 10 0 DCAELO CCCn1c(C)nnc1C[N@@H+]1C[C@@H](OC)[C@H](c2c[nH]nn2)C1 ZINC000621317097 397373751 /nfs/dbraw/zinc/37/37/51/397373751.db2.gz ONHZWARJKSQWRW-WCQYABFASA-N 1 2 305.386 0.729 10 0 DCAELO CCCn1c(C)nnc1C[N@H+]1C[C@@H](OC)[C@H](c2c[nH]nn2)C1 ZINC000621317097 397373755 /nfs/dbraw/zinc/37/37/55/397373755.db2.gz ONHZWARJKSQWRW-WCQYABFASA-N 1 2 305.386 0.729 10 0 DCAELO CC(=O)N1CC[NH+](CCNC(=O)C[C@@H](C)c2cccnc2)CC1 ZINC000604313200 397636280 /nfs/dbraw/zinc/63/62/80/397636280.db2.gz JBBGZNQJZDLLKX-CQSZACIVSA-N 1 2 318.421 0.856 10 0 DCAELO Cc1nc(CNC(=O)NCCc2cn3c([nH+]2)CCCC3)no1 ZINC000608396291 397728751 /nfs/dbraw/zinc/72/87/51/397728751.db2.gz FPYQUFUQBOYNTI-UHFFFAOYSA-N 1 2 304.354 0.953 10 0 DCAELO CCC(C)(C)[C@@H](O)C(=O)N[C@@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC000606444865 397681123 /nfs/dbraw/zinc/68/11/23/397681123.db2.gz BYVZHASKCADMFI-DOMZBBRYSA-N 1 2 323.437 0.954 10 0 DCAELO C[C@@H](NC(=O)Nc1ccccc1)C(=O)NCC[NH+]1CCOCC1 ZINC000045973351 158000250 /nfs/dbraw/zinc/00/02/50/158000250.db2.gz AASQEELIEPFOTM-CYBMUJFWSA-N 1 2 320.393 0.645 10 0 DCAELO COCCOCCNC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000046099230 158000308 /nfs/dbraw/zinc/00/03/08/158000308.db2.gz OYLYZTJVOHNXPI-UHFFFAOYSA-N 1 2 319.365 0.730 10 0 DCAELO Cc1nc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)no1 ZINC000074610503 158059125 /nfs/dbraw/zinc/05/91/25/158059125.db2.gz QHEANTXNMLKVRJ-GFCCVEGCSA-N 1 2 309.370 0.384 10 0 DCAELO CC(=O)N[C@H]1CCC[N@@H+](CC(=O)NCCOCCC(C)C)C1 ZINC000079198962 158077677 /nfs/dbraw/zinc/07/76/77/158077677.db2.gz JHQAWXHQQBCXHO-HNNXBMFYSA-N 1 2 313.442 0.766 10 0 DCAELO CC(=O)N[C@H]1CCC[N@H+](CC(=O)NCCOCCC(C)C)C1 ZINC000079198962 158077681 /nfs/dbraw/zinc/07/76/81/158077681.db2.gz JHQAWXHQQBCXHO-HNNXBMFYSA-N 1 2 313.442 0.766 10 0 DCAELO C[C@@H](C(=O)N1CCCCCC1)[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116891715 158169004 /nfs/dbraw/zinc/16/90/04/158169004.db2.gz FIHUGDAZGYXNSB-STQMWFEESA-N 1 2 317.455 0.401 10 0 DCAELO C[C@@H](C(=O)N1CCCCCC1)[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116891715 158169006 /nfs/dbraw/zinc/16/90/06/158169006.db2.gz FIHUGDAZGYXNSB-STQMWFEESA-N 1 2 317.455 0.401 10 0 DCAELO CCc1ncc(NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cn1 ZINC000118963973 158180841 /nfs/dbraw/zinc/18/08/41/158180841.db2.gz HRSMKMSZKRIQDC-CYBMUJFWSA-N 1 2 305.382 0.977 10 0 DCAELO CC(C)S(=O)(=O)CCCN1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000120016386 158192618 /nfs/dbraw/zinc/19/26/18/158192618.db2.gz YWWSTERDMHAUPW-ZIAGYGMSSA-N 1 2 306.472 0.587 10 0 DCAELO CC(C)S(=O)(=O)CCCN1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000120016386 158192619 /nfs/dbraw/zinc/19/26/19/158192619.db2.gz YWWSTERDMHAUPW-ZIAGYGMSSA-N 1 2 306.472 0.587 10 0 DCAELO Cc1cc(C[C@@H](C)NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)[nH]n1 ZINC000124821953 158247539 /nfs/dbraw/zinc/24/75/39/158247539.db2.gz XJUPSPQDIHZUDL-DOMZBBRYSA-N 1 2 321.425 0.765 10 0 DCAELO COc1ccccc1N1CC[C@H]([N@@H+]2CCNC(=O)CC2)C1=O ZINC000151009296 158348771 /nfs/dbraw/zinc/34/87/71/158348771.db2.gz YSXKXJBIFYODIX-ZDUSSCGKSA-N 1 2 303.362 0.622 10 0 DCAELO COc1ccccc1N1CC[C@H]([N@H+]2CCNC(=O)CC2)C1=O ZINC000151009296 158348773 /nfs/dbraw/zinc/34/87/73/158348773.db2.gz YSXKXJBIFYODIX-ZDUSSCGKSA-N 1 2 303.362 0.622 10 0 DCAELO O=C(C[NH+]1CCN(C(=O)N[C@H]2CCCOC2)CC1)N1CCCC1 ZINC000171617954 158384656 /nfs/dbraw/zinc/38/46/56/158384656.db2.gz ABBXFZMMJVCBSG-AWEZNQCLSA-N 1 2 324.425 0.115 10 0 DCAELO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000172543110 158395751 /nfs/dbraw/zinc/39/57/51/158395751.db2.gz RGYLSNRJZQPDBS-AGIUHOORSA-N 1 2 312.414 0.050 10 0 DCAELO C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172747983 158398597 /nfs/dbraw/zinc/39/85/97/158398597.db2.gz RFCWLIOWFSXODT-OLZOCXBDSA-N 1 2 311.426 0.470 10 0 DCAELO CCc1ccc(NC(=O)C(=O)NC[C@H]2C[NH+]3CCN2CC3)cc1 ZINC000178960215 158467333 /nfs/dbraw/zinc/46/73/33/158467333.db2.gz HNWYMCNHGJQLHS-HNNXBMFYSA-N 1 2 316.405 0.304 10 0 DCAELO C[C@@H]1CN(C(=O)[C@H]2CCc3n[nH]nc3C2)C[C@H]1[NH+]1CCOCC1 ZINC000328766019 159028114 /nfs/dbraw/zinc/02/81/14/159028114.db2.gz GZXBKQNZAKNWGI-TYNCELHUSA-N 1 2 319.409 0.089 10 0 DCAELO C[C@H](OC[C@@H]1CCCO1)C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000328856225 159035421 /nfs/dbraw/zinc/03/54/21/159035421.db2.gz CXPJAZCTULMXRV-ZQDZILKHSA-N 1 2 312.410 0.502 10 0 DCAELO C[C@H](OC[C@@H]1CCCO1)C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000328856225 159035422 /nfs/dbraw/zinc/03/54/22/159035422.db2.gz CXPJAZCTULMXRV-ZQDZILKHSA-N 1 2 312.410 0.502 10 0 DCAELO CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000328868453 159035734 /nfs/dbraw/zinc/03/57/34/159035734.db2.gz HGPRVGDCJWEHRE-RBSFLKMASA-N 1 2 323.437 0.565 10 0 DCAELO CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000328868453 159035738 /nfs/dbraw/zinc/03/57/38/159035738.db2.gz HGPRVGDCJWEHRE-RBSFLKMASA-N 1 2 323.437 0.565 10 0 DCAELO CC(C)CCn1cc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)nn1 ZINC000328930677 159043117 /nfs/dbraw/zinc/04/31/17/159043117.db2.gz ZEBMYPFPDADWEZ-GJZGRUSLSA-N 1 2 321.425 0.869 10 0 DCAELO CC(C)CCn1cc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)nn1 ZINC000328930677 159043118 /nfs/dbraw/zinc/04/31/18/159043118.db2.gz ZEBMYPFPDADWEZ-GJZGRUSLSA-N 1 2 321.425 0.869 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3c[nH]nc3[C@H]3CCOC3)C[C@@H]21 ZINC000328945776 159045211 /nfs/dbraw/zinc/04/52/11/159045211.db2.gz JTQLROVUVVOPIA-FPMFFAJLSA-N 1 2 320.393 0.459 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3c[nH]nc3[C@H]3CCOC3)C[C@@H]21 ZINC000328945776 159045213 /nfs/dbraw/zinc/04/52/13/159045213.db2.gz JTQLROVUVVOPIA-FPMFFAJLSA-N 1 2 320.393 0.459 10 0 DCAELO COCC[N@@H+]1CCN(C(=O)[C@@H]2CCc3[nH]nnc3C2)C[C@H]1C ZINC000328987138 159049953 /nfs/dbraw/zinc/04/99/53/159049953.db2.gz BZWWRUQNUDBFNV-VXGBXAGGSA-N 1 2 307.398 0.089 10 0 DCAELO COCC[N@H+]1CCN(C(=O)[C@@H]2CCc3[nH]nnc3C2)C[C@H]1C ZINC000328987138 159049955 /nfs/dbraw/zinc/04/99/55/159049955.db2.gz BZWWRUQNUDBFNV-VXGBXAGGSA-N 1 2 307.398 0.089 10 0 DCAELO COCC[N@@H+]1CCN(C(=O)[C@@H]2CCc3nn[nH]c3C2)C[C@H]1C ZINC000328987138 159049956 /nfs/dbraw/zinc/04/99/56/159049956.db2.gz BZWWRUQNUDBFNV-VXGBXAGGSA-N 1 2 307.398 0.089 10 0 DCAELO COCC[N@H+]1CCN(C(=O)[C@@H]2CCc3nn[nH]c3C2)C[C@H]1C ZINC000328987138 159049958 /nfs/dbraw/zinc/04/99/58/159049958.db2.gz BZWWRUQNUDBFNV-VXGBXAGGSA-N 1 2 307.398 0.089 10 0 DCAELO C[C@@H]1C[C@@H](S(=O)(=O)NCC[N@@H+]2CCOC(C)(C)C2)CCO1 ZINC000329581311 159105074 /nfs/dbraw/zinc/10/50/74/159105074.db2.gz LFZXSLQZCZYSPL-OLZOCXBDSA-N 1 2 320.455 0.584 10 0 DCAELO C[C@@H]1C[C@@H](S(=O)(=O)NCC[N@H+]2CCOC(C)(C)C2)CCO1 ZINC000329581311 159105075 /nfs/dbraw/zinc/10/50/75/159105075.db2.gz LFZXSLQZCZYSPL-OLZOCXBDSA-N 1 2 320.455 0.584 10 0 DCAELO CC[C@@H]1CN(C(=O)[C@]2(OC)CCOC2)C[C@@H]1[NH+]1CCOCC1 ZINC000329943987 159130558 /nfs/dbraw/zinc/13/05/58/159130558.db2.gz WNPACCLBUCXBBY-YCPHGPKFSA-N 1 2 312.410 0.361 10 0 DCAELO CNC(=O)[C@@H]1CCCN1C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000332724385 159210985 /nfs/dbraw/zinc/21/09/85/159210985.db2.gz LBPCUTGHBSADMM-OLZOCXBDSA-N 1 2 319.409 0.989 10 0 DCAELO NC(=O)[C@]1(O)CCC[N@H+](Cc2nccn2Cc2ccccc2)C1 ZINC000367493106 159340915 /nfs/dbraw/zinc/34/09/15/159340915.db2.gz NRGSLQVQRWRBEY-KRWDZBQOSA-N 1 2 314.389 0.744 10 0 DCAELO NC(=O)[C@]1(O)CCC[N@@H+](Cc2nccn2Cc2ccccc2)C1 ZINC000367493106 159340917 /nfs/dbraw/zinc/34/09/17/159340917.db2.gz NRGSLQVQRWRBEY-KRWDZBQOSA-N 1 2 314.389 0.744 10 0 DCAELO CNC(=O)[C@H](NC(=O)C[N@@H+]1CCOCC[C@H]1C)c1ccccc1 ZINC000367668850 159350190 /nfs/dbraw/zinc/35/01/90/159350190.db2.gz YMILCKCXAYFTDJ-CZUORRHYSA-N 1 2 319.405 0.701 10 0 DCAELO CNC(=O)[C@H](NC(=O)C[N@H+]1CCOCC[C@H]1C)c1ccccc1 ZINC000367668850 159350193 /nfs/dbraw/zinc/35/01/93/159350193.db2.gz YMILCKCXAYFTDJ-CZUORRHYSA-N 1 2 319.405 0.701 10 0 DCAELO O=c1[nH]nc(C2CC[NH+](C[C@H](O)COCC(F)(F)F)CC2)[nH]1 ZINC000368396401 159392475 /nfs/dbraw/zinc/39/24/75/159392475.db2.gz CIIPCLUSGCURRK-VIFPVBQESA-N 1 2 324.303 0.630 10 0 DCAELO O=C([C@@H]1COc2ccccc2O1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000372623483 159634928 /nfs/dbraw/zinc/63/49/28/159634928.db2.gz ANZYWIMMRMJWBV-CJNGLKHVSA-N 1 2 318.373 0.760 10 0 DCAELO COC(=O)C(C)(C)CNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000408019736 160012819 /nfs/dbraw/zinc/01/28/19/160012819.db2.gz ANIXEPFBOCTPQZ-NEPJUHHUSA-N 1 2 313.398 0.300 10 0 DCAELO COC(=O)C(C)(C)CNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000408019736 160012821 /nfs/dbraw/zinc/01/28/21/160012821.db2.gz ANIXEPFBOCTPQZ-NEPJUHHUSA-N 1 2 313.398 0.300 10 0 DCAELO CC1CCN(C(=O)C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000408031454 160016376 /nfs/dbraw/zinc/01/63/76/160016376.db2.gz UOVZLIDBLZICHS-KBPBESRZSA-N 1 2 309.410 0.176 10 0 DCAELO CC1CCN(C(=O)C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000408031454 160016377 /nfs/dbraw/zinc/01/63/77/160016377.db2.gz UOVZLIDBLZICHS-KBPBESRZSA-N 1 2 309.410 0.176 10 0 DCAELO Cc1nn(C)c(C)c1C[N@@H+]1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000408035913 160018564 /nfs/dbraw/zinc/01/85/64/160018564.db2.gz OLOVOIQPWILXLM-HIFRSBDPSA-N 1 2 324.400 0.808 10 0 DCAELO Cc1nn(C)c(C)c1C[N@H+]1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000408035913 160018566 /nfs/dbraw/zinc/01/85/66/160018566.db2.gz OLOVOIQPWILXLM-HIFRSBDPSA-N 1 2 324.400 0.808 10 0 DCAELO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1C[C@H](CO)O[C@@H](C)C1 ZINC000408048690 160023105 /nfs/dbraw/zinc/02/31/05/160023105.db2.gz ZUZKUFUSGIVJAX-LXTVHRRPSA-N 1 2 319.405 0.762 10 0 DCAELO CC(=O)N1CCC[C@@](O)(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000408052337 160023746 /nfs/dbraw/zinc/02/37/46/160023746.db2.gz UEFXDRKQNZPHSD-CJNGLKHVSA-N 1 2 320.393 0.489 10 0 DCAELO CNC(=O)[C@H]1CCCN1C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000408078212 160030667 /nfs/dbraw/zinc/03/06/67/160030667.db2.gz BCVUYBHIPYIRLB-LLVKDONJSA-N 1 2 303.353 0.701 10 0 DCAELO C[C@@H]1CC[N@H+](CC2=Nc3ccccc3S(=O)(=O)N2)C[C@H]1O ZINC000408088094 160032694 /nfs/dbraw/zinc/03/26/94/160032694.db2.gz DJPYMSWTXREYIB-ZYHUDNBSSA-N 1 2 309.391 0.711 10 0 DCAELO C[C@@H]1CC[N@@H+](CC2=Nc3ccccc3S(=O)(=O)N2)C[C@H]1O ZINC000408088094 160032697 /nfs/dbraw/zinc/03/26/97/160032697.db2.gz DJPYMSWTXREYIB-ZYHUDNBSSA-N 1 2 309.391 0.711 10 0 DCAELO COCC[N@@H+]1CCN(S(=O)(=O)N2CC[C@@H](C)C2)C[C@H]1C ZINC000408134246 160044339 /nfs/dbraw/zinc/04/43/39/160044339.db2.gz RNVGGFRTBAJPGW-CHWSQXEVSA-N 1 2 305.444 0.226 10 0 DCAELO COCC[N@H+]1CCN(S(=O)(=O)N2CC[C@@H](C)C2)C[C@H]1C ZINC000408134246 160044340 /nfs/dbraw/zinc/04/43/40/160044340.db2.gz RNVGGFRTBAJPGW-CHWSQXEVSA-N 1 2 305.444 0.226 10 0 DCAELO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)[C@@H]1CNC(=O)C1)C2 ZINC000408156701 160049358 /nfs/dbraw/zinc/04/93/58/160049358.db2.gz AYTKVVWYRBSQOG-QWRGUYRKSA-N 1 2 304.394 0.748 10 0 DCAELO C[C@@H](CNS(=O)(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CCOCC1 ZINC000408157446 160050058 /nfs/dbraw/zinc/05/00/58/160050058.db2.gz IXTYKCHLPUQEBJ-MJBXVCDLSA-N 1 2 319.471 0.519 10 0 DCAELO Cc1nnc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2NS(C)(=O)=O)o1 ZINC000408381783 160096001 /nfs/dbraw/zinc/09/60/01/160096001.db2.gz ODHPRKMIYZNJLE-GDPRMGEGSA-N 1 2 302.400 0.889 10 0 DCAELO O=S1(=O)CC[C@@H](C[N@H+]2CCC[C@@](O)(C(F)(F)F)C2)C1 ZINC000408400097 160100237 /nfs/dbraw/zinc/10/02/37/160100237.db2.gz OMZWAHPIDFBQCA-UWVGGRQHSA-N 1 2 301.330 0.810 10 0 DCAELO O=S1(=O)CC[C@@H](C[N@@H+]2CCC[C@@](O)(C(F)(F)F)C2)C1 ZINC000408400097 160100239 /nfs/dbraw/zinc/10/02/39/160100239.db2.gz OMZWAHPIDFBQCA-UWVGGRQHSA-N 1 2 301.330 0.810 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)N2CCCC[C@H]2C)C[C@H]1C ZINC000408433113 160106648 /nfs/dbraw/zinc/10/66/48/160106648.db2.gz KKRYYVQNUWLJKP-MCIONIFRSA-N 1 2 319.471 0.493 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)N2CCCC[C@H]2C)C[C@H]1C ZINC000408433113 160106650 /nfs/dbraw/zinc/10/66/50/160106650.db2.gz KKRYYVQNUWLJKP-MCIONIFRSA-N 1 2 319.471 0.493 10 0 DCAELO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)N2CCCC[C@@H]2C)CC1 ZINC000408431751 160106909 /nfs/dbraw/zinc/10/69/09/160106909.db2.gz BKHBRWBKLVCKQO-UONOGXRCSA-N 1 2 319.471 0.494 10 0 DCAELO CCCc1ncc(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)s1 ZINC000128166307 286981522 /nfs/dbraw/zinc/98/15/22/286981522.db2.gz LBRYUEIVUPTASA-LLVKDONJSA-N 1 2 313.423 0.519 10 0 DCAELO CCC[C@H]1C[N@@H+]([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)CCO1 ZINC000131932930 287002927 /nfs/dbraw/zinc/00/29/27/287002927.db2.gz MNPMYVTZODKGTJ-JSGCOSHPSA-N 1 2 311.426 0.613 10 0 DCAELO CCC[C@H]1C[N@H+]([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)CCO1 ZINC000131932930 287002929 /nfs/dbraw/zinc/00/29/29/287002929.db2.gz MNPMYVTZODKGTJ-JSGCOSHPSA-N 1 2 311.426 0.613 10 0 DCAELO O=C(CNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1)N1CCCC1 ZINC000177377897 287054849 /nfs/dbraw/zinc/05/48/49/287054849.db2.gz HQJXQDFKBGCRPN-ZDUSSCGKSA-N 1 2 305.382 0.680 10 0 DCAELO CN(C)c1nnc(SC[C@H](O)C[NH+]2CCOCC2)s1 ZINC000181150476 287056269 /nfs/dbraw/zinc/05/62/69/287056269.db2.gz LDMHARQJNALGAS-SECBINFHSA-N 1 2 304.441 0.389 10 0 DCAELO C[C@H](C[S@](C)=O)[N@H+](C)CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000248449828 287097445 /nfs/dbraw/zinc/09/74/45/287097445.db2.gz FGOSYDSRFXKSKO-OOFYPUDQSA-N 1 2 316.467 0.855 10 0 DCAELO C[C@H](C[S@](C)=O)[N@@H+](C)CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000248449828 287097446 /nfs/dbraw/zinc/09/74/46/287097446.db2.gz FGOSYDSRFXKSKO-OOFYPUDQSA-N 1 2 316.467 0.855 10 0 DCAELO C[C@@H]1C[N@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)C[C@@H](CO)O1 ZINC000249439449 287110913 /nfs/dbraw/zinc/11/09/13/287110913.db2.gz SSLAUYGTPCSNPG-WOPDTQHZSA-N 1 2 324.343 0.869 10 0 DCAELO C[C@@H]1C[N@@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)C[C@@H](CO)O1 ZINC000249439449 287110915 /nfs/dbraw/zinc/11/09/15/287110915.db2.gz SSLAUYGTPCSNPG-WOPDTQHZSA-N 1 2 324.343 0.869 10 0 DCAELO CN(C)c1[nH+]cccc1CNC(=O)NCCCN1CCCC1=O ZINC000047595525 415273276 /nfs/dbraw/zinc/27/32/76/415273276.db2.gz ODZVLQFXJOTFRB-UHFFFAOYSA-N 1 2 319.409 0.959 10 0 DCAELO CCN(Cc1cccc(F)c1)C(=O)C[N@@H+]1CCNC(=O)CC1 ZINC000073350318 415418177 /nfs/dbraw/zinc/41/81/77/415418177.db2.gz TWARMLHPBMZDOI-UHFFFAOYSA-N 1 2 307.369 0.996 10 0 DCAELO CCN(Cc1cccc(F)c1)C(=O)C[N@H+]1CCNC(=O)CC1 ZINC000073350318 415418182 /nfs/dbraw/zinc/41/81/82/415418182.db2.gz TWARMLHPBMZDOI-UHFFFAOYSA-N 1 2 307.369 0.996 10 0 DCAELO CCOc1cccc(CN2CCO[C@H](C[N@H+](C)CC(N)=O)C2)c1 ZINC000275866661 415385336 /nfs/dbraw/zinc/38/53/36/415385336.db2.gz XVVAHVPTZGUTMX-MRXNPFEDSA-N 1 2 321.421 0.703 10 0 DCAELO CCOc1cccc(CN2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)c1 ZINC000275866661 415385339 /nfs/dbraw/zinc/38/53/39/415385339.db2.gz XVVAHVPTZGUTMX-MRXNPFEDSA-N 1 2 321.421 0.703 10 0 DCAELO CCOc1cccc(C[N@@H+]2CCO[C@H](CN(C)CC(N)=O)C2)c1 ZINC000275866661 415385342 /nfs/dbraw/zinc/38/53/42/415385342.db2.gz XVVAHVPTZGUTMX-MRXNPFEDSA-N 1 2 321.421 0.703 10 0 DCAELO CCOc1cccc(C[N@H+]2CCO[C@H](CN(C)CC(N)=O)C2)c1 ZINC000275866661 415385346 /nfs/dbraw/zinc/38/53/46/415385346.db2.gz XVVAHVPTZGUTMX-MRXNPFEDSA-N 1 2 321.421 0.703 10 0 DCAELO CC(C)N1CC[C@H](NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)C1=O ZINC000332752900 415461101 /nfs/dbraw/zinc/46/11/01/415461101.db2.gz HEYQAUDDBNOEHF-MELADBBJSA-N 1 2 324.425 0.110 10 0 DCAELO CC(C)N1CC[C@H](NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)C1=O ZINC000332752900 415461109 /nfs/dbraw/zinc/46/11/09/415461109.db2.gz HEYQAUDDBNOEHF-MELADBBJSA-N 1 2 324.425 0.110 10 0 DCAELO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000332753506 415463162 /nfs/dbraw/zinc/46/31/62/415463162.db2.gz IHCOHZTZRFEOHH-ZOBORPQBSA-N 1 2 324.425 0.016 10 0 DCAELO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000332753506 415463167 /nfs/dbraw/zinc/46/31/67/415463167.db2.gz IHCOHZTZRFEOHH-ZOBORPQBSA-N 1 2 324.425 0.016 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)NCC(=O)N3CCCCC3)C[C@H]21 ZINC000332751562 415463325 /nfs/dbraw/zinc/46/33/25/415463325.db2.gz CVDXHHJPXWNNJD-KGLIPLIRSA-N 1 2 324.425 0.113 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)NCC(=O)N3CCCCC3)C[C@H]21 ZINC000332751562 415463331 /nfs/dbraw/zinc/46/33/31/415463331.db2.gz CVDXHHJPXWNNJD-KGLIPLIRSA-N 1 2 324.425 0.113 10 0 DCAELO Cc1ncc(C[NH+]2CCN(CC(=O)N3CCOCC3)CC2)s1 ZINC000078436765 415465862 /nfs/dbraw/zinc/46/58/62/415465862.db2.gz JMOAGCNBUZDGDZ-UHFFFAOYSA-N 1 2 324.450 0.428 10 0 DCAELO Cc1[nH]nc2ncc(C(=O)N3CC[C@H]4OCC[N@@H+](C)[C@H]4C3)cc12 ZINC000284761309 415603933 /nfs/dbraw/zinc/60/39/33/415603933.db2.gz SCBGWLRAOOQJFH-UONOGXRCSA-N 1 2 315.377 0.811 10 0 DCAELO Cc1[nH]nc2ncc(C(=O)N3CC[C@H]4OCC[N@H+](C)[C@H]4C3)cc12 ZINC000284761309 415603936 /nfs/dbraw/zinc/60/39/36/415603936.db2.gz SCBGWLRAOOQJFH-UONOGXRCSA-N 1 2 315.377 0.811 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(S(=O)(=O)CCOCC3CC3)C[C@@H]21 ZINC000333470237 415660225 /nfs/dbraw/zinc/66/02/25/415660225.db2.gz NLAPPWYTPITIOQ-KBPBESRZSA-N 1 2 318.439 0.148 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(S(=O)(=O)CCOCC3CC3)C[C@@H]21 ZINC000333470237 415660230 /nfs/dbraw/zinc/66/02/30/415660230.db2.gz NLAPPWYTPITIOQ-KBPBESRZSA-N 1 2 318.439 0.148 10 0 DCAELO Cc1noc(C)c1CCNC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000107331059 415663011 /nfs/dbraw/zinc/66/30/11/415663011.db2.gz KKDSGHNGPGKFIA-LLVKDONJSA-N 1 2 310.398 0.854 10 0 DCAELO C[C@@H](C(=O)NC1CCCC1)N1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000116277377 415727267 /nfs/dbraw/zinc/72/72/67/415727267.db2.gz XDWBBYBVXMCOJG-DZGCQCFKSA-N 1 2 322.453 0.282 10 0 DCAELO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(F)c1)N1CCNC1=O ZINC000343750734 415707422 /nfs/dbraw/zinc/70/74/22/415707422.db2.gz ABWGSZKCUFYYLX-CHWSQXEVSA-N 1 2 307.325 0.485 10 0 DCAELO O=C(C[N@H+]1C[C@H](O)C[C@@H]1c1cccc(F)c1)N1CCNC1=O ZINC000343750734 415707429 /nfs/dbraw/zinc/70/74/29/415707429.db2.gz ABWGSZKCUFYYLX-CHWSQXEVSA-N 1 2 307.325 0.485 10 0 DCAELO C[C@@H](CNC(=O)c1cnc(C(F)(F)F)nc1)[NH+]1CCOCC1 ZINC000122936203 415836159 /nfs/dbraw/zinc/83/61/59/415836159.db2.gz CWZBNRZMZCBWFF-VIFPVBQESA-N 1 2 318.299 0.946 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)c2ccnc(OCC(F)F)c2)C1 ZINC000121747230 415816626 /nfs/dbraw/zinc/81/66/26/415816626.db2.gz MZNUGMXKIZEHAY-LLVKDONJSA-N 1 2 315.320 0.786 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)c2ccnc(OCC(F)F)c2)C1 ZINC000121747230 415816633 /nfs/dbraw/zinc/81/66/33/415816633.db2.gz MZNUGMXKIZEHAY-LLVKDONJSA-N 1 2 315.320 0.786 10 0 DCAELO CCCC(=O)NCC(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000130791191 415924576 /nfs/dbraw/zinc/92/45/76/415924576.db2.gz ZOBPCLJFZSYUSM-UHFFFAOYSA-N 1 2 319.405 0.953 10 0 DCAELO Cc1noc(CN2CC[NH+]([C@@H](C)C(=O)N3CCCCC3)CC2)n1 ZINC000151067300 415964822 /nfs/dbraw/zinc/96/48/22/415964822.db2.gz DXLOLCVBHKWSOP-ZDUSSCGKSA-N 1 2 321.425 0.897 10 0 DCAELO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CCCS1(=O)=O ZINC000153556657 415982252 /nfs/dbraw/zinc/98/22/52/415982252.db2.gz WCYKQCGHTPCOBN-CABCVRRESA-N 1 2 324.446 0.853 10 0 DCAELO CCC(=O)N1CSC[C@@H]1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000153577902 415984862 /nfs/dbraw/zinc/98/48/62/415984862.db2.gz QKYMVOWLUYSRFK-NWDGAFQWSA-N 1 2 310.423 0.947 10 0 DCAELO CC(=O)N1CSC[C@H]1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000132423502 415933801 /nfs/dbraw/zinc/93/38/01/415933801.db2.gz GXYGVYIFFJNGEL-ZDUSSCGKSA-N 1 2 320.418 0.652 10 0 DCAELO CCn1cc(C[N@@H+]2CCCN(S(=O)(=O)C3CC3)CC2)cn1 ZINC000173145704 416053492 /nfs/dbraw/zinc/05/34/92/416053492.db2.gz LMVWUKGQVHBTAD-UHFFFAOYSA-N 1 2 312.439 0.903 10 0 DCAELO CCn1cc(C[N@H+]2CCCN(S(=O)(=O)C3CC3)CC2)cn1 ZINC000173145704 416053498 /nfs/dbraw/zinc/05/34/98/416053498.db2.gz LMVWUKGQVHBTAD-UHFFFAOYSA-N 1 2 312.439 0.903 10 0 DCAELO COC(=O)C1CC[NH+]([C@H]2CCN(c3cc(C)nn3C)C2=O)CC1 ZINC000173496885 416059951 /nfs/dbraw/zinc/05/99/51/416059951.db2.gz CCXNREWBGQDDMN-ZDUSSCGKSA-N 1 2 320.393 0.719 10 0 DCAELO CC(C)N1CC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1=O ZINC000173893333 416067840 /nfs/dbraw/zinc/06/78/40/416067840.db2.gz HXQKHKOATCZUMG-KGLIPLIRSA-N 1 2 324.425 0.112 10 0 DCAELO CCn1cc(NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)ccc1=O ZINC000173873812 416068169 /nfs/dbraw/zinc/06/81/69/416068169.db2.gz WGJYHMDISKDGJT-CQSZACIVSA-N 1 2 320.393 0.807 10 0 DCAELO NC(=O)NC(=O)CN1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000165934001 416021307 /nfs/dbraw/zinc/02/13/07/416021307.db2.gz KSUKCHPMUKVHSH-UHFFFAOYSA-N 1 2 310.785 0.653 10 0 DCAELO O=C(CCc1nc[nH]n1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000175878673 416116835 /nfs/dbraw/zinc/11/68/35/416116835.db2.gz LKCWPJZTAARKNX-CYBMUJFWSA-N 1 2 307.398 0.308 10 0 DCAELO Cc1cc[nH]c(=O)c1C(=O)N1CCN(C)[C@H](c2[nH]cc[nH+]2)C1 ZINC000328616253 416123318 /nfs/dbraw/zinc/12/33/18/416123318.db2.gz BMUYWGSICOJVKM-NSHDSACASA-N 1 2 301.350 0.948 10 0 DCAELO CC[C@H]1CN(C(=O)[C@@H]2CCc3[nH]nnc3C2)CC[N@@H+]1CCOC ZINC000329053107 416146959 /nfs/dbraw/zinc/14/69/59/416146959.db2.gz XAGMXLGQMGGANF-OLZOCXBDSA-N 1 2 321.425 0.479 10 0 DCAELO CC[C@H]1CN(C(=O)[C@@H]2CCc3[nH]nnc3C2)CC[N@H+]1CCOC ZINC000329053107 416146964 /nfs/dbraw/zinc/14/69/64/416146964.db2.gz XAGMXLGQMGGANF-OLZOCXBDSA-N 1 2 321.425 0.479 10 0 DCAELO CC[C@H]1CN(C(=O)[C@@H]2CCc3nn[nH]c3C2)CC[N@@H+]1CCOC ZINC000329053107 416146965 /nfs/dbraw/zinc/14/69/65/416146965.db2.gz XAGMXLGQMGGANF-OLZOCXBDSA-N 1 2 321.425 0.479 10 0 DCAELO CC[C@H]1CN(C(=O)[C@@H]2CCc3nn[nH]c3C2)CC[N@H+]1CCOC ZINC000329053107 416146967 /nfs/dbraw/zinc/14/69/67/416146967.db2.gz XAGMXLGQMGGANF-OLZOCXBDSA-N 1 2 321.425 0.479 10 0 DCAELO COC(=O)c1cn([C@H]2CCC[N@@H+]([C@@H](C(=O)OC)C3CC3)C2)nn1 ZINC000358033298 416172375 /nfs/dbraw/zinc/17/23/75/416172375.db2.gz DJFBIMSOWPVLMJ-WCQYABFASA-N 1 2 322.365 0.653 10 0 DCAELO COC(=O)c1cn([C@H]2CCC[N@H+]([C@@H](C(=O)OC)C3CC3)C2)nn1 ZINC000358033298 416172379 /nfs/dbraw/zinc/17/23/79/416172379.db2.gz DJFBIMSOWPVLMJ-WCQYABFASA-N 1 2 322.365 0.653 10 0 DCAELO Cc1ccc(NC(=O)C(=O)NC[C@H]2C[NH+]3CCN2CC3)cc1 ZINC000178997223 416179011 /nfs/dbraw/zinc/17/90/11/416179011.db2.gz BBOXXBRBBFGDNG-AWEZNQCLSA-N 1 2 302.378 0.050 10 0 DCAELO CC[C@@H](CO)[NH+]1CCN(C(=O)c2ccc(C(N)=O)s2)CC1 ZINC000179417363 416186159 /nfs/dbraw/zinc/18/61/59/416186159.db2.gz IEIBDCNCHYHGOE-JTQLQIEISA-N 1 2 311.407 0.376 10 0 DCAELO COc1n[nH]c(NC(=O)[C@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000179362602 416186473 /nfs/dbraw/zinc/18/64/73/416186473.db2.gz IPDRBHBYQWWGBM-AXFHLTTASA-N 1 2 311.386 0.886 10 0 DCAELO COc1n[nH]c(NC(=O)[C@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000179362602 416186476 /nfs/dbraw/zinc/18/64/76/416186476.db2.gz IPDRBHBYQWWGBM-AXFHLTTASA-N 1 2 311.386 0.886 10 0 DCAELO COC(=O)C1CCC(C(=O)NC[C@H]2C[NH+]3CCN2CC3)CC1 ZINC000180436586 416196148 /nfs/dbraw/zinc/19/61/48/416196148.db2.gz OABJXVQQDULHDU-RUXDESIVSA-N 1 2 309.410 0.082 10 0 DCAELO CC1=CC[N@H+](CCNC(=O)N[C@@H](C)CCS(C)(=O)=O)CC1 ZINC000358169469 416206064 /nfs/dbraw/zinc/20/60/64/416206064.db2.gz PQSQYCFBEJSIOR-ZDUSSCGKSA-N 1 2 317.455 0.761 10 0 DCAELO CC1=CC[N@@H+](CCNC(=O)N[C@@H](C)CCS(C)(=O)=O)CC1 ZINC000358169469 416206066 /nfs/dbraw/zinc/20/60/66/416206066.db2.gz PQSQYCFBEJSIOR-ZDUSSCGKSA-N 1 2 317.455 0.761 10 0 DCAELO OC[C@@H]1CCCN1c1cc(NC[C@@H](O)C(F)(F)F)[nH+]cn1 ZINC000264316702 416339232 /nfs/dbraw/zinc/33/92/32/416339232.db2.gz INGARSLVHIGJHS-DTWKUNHWSA-N 1 2 306.288 0.773 10 0 DCAELO OC[C@@H]1CCCN1c1cc(NC[C@@H](O)C(F)(F)F)nc[nH+]1 ZINC000264316702 416339233 /nfs/dbraw/zinc/33/92/33/416339233.db2.gz INGARSLVHIGJHS-DTWKUNHWSA-N 1 2 306.288 0.773 10 0 DCAELO Cc1ccn(CC(=O)NCc2ccc[nH+]c2N(C)C)c(=O)c1 ZINC000194404435 416322914 /nfs/dbraw/zinc/32/29/14/416322914.db2.gz JWRRDILLOVNKDY-UHFFFAOYSA-N 1 2 300.362 0.934 10 0 DCAELO CN1CN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1=O ZINC000360488871 416392730 /nfs/dbraw/zinc/39/27/30/416392730.db2.gz FBRWBXLJGZNTJA-UHFFFAOYSA-N 1 2 322.434 0.124 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CN(CCN3C(=O)c4ccccc4C3=O)C[C@H]21 ZINC000532878312 416462348 /nfs/dbraw/zinc/46/23/48/416462348.db2.gz BHCLOBJVBHGQPC-HUUCEWRRSA-N 1 2 315.373 0.297 10 0 DCAELO C[N@H+]1CCO[C@@H]2CN(CCN3C(=O)c4ccccc4C3=O)C[C@H]21 ZINC000532878312 416462354 /nfs/dbraw/zinc/46/23/54/416462354.db2.gz BHCLOBJVBHGQPC-HUUCEWRRSA-N 1 2 315.373 0.297 10 0 DCAELO Cn1cc[nH+]c1C[C@H](NC(=O)CCNC(N)=O)c1ccccc1 ZINC000608478119 416650979 /nfs/dbraw/zinc/65/09/79/416650979.db2.gz UAIBKGDLOCJJGN-ZDUSSCGKSA-N 1 2 315.377 0.879 10 0 DCAELO Cc1ccc(CNC(=O)C[N@@H+]2CCN3CCOC[C@H]3C2)cc1 ZINC000368820237 416694630 /nfs/dbraw/zinc/69/46/30/416694630.db2.gz CMMZFUFJEGVCPU-MRXNPFEDSA-N 1 2 303.406 0.628 10 0 DCAELO Cc1ccc(CNC(=O)C[N@H+]2CCN3CCOC[C@H]3C2)cc1 ZINC000368820237 416694634 /nfs/dbraw/zinc/69/46/34/416694634.db2.gz CMMZFUFJEGVCPU-MRXNPFEDSA-N 1 2 303.406 0.628 10 0 DCAELO c1c(C2CC2)[nH]nc1N1CCN(CC[NH+]2CCOCC2)CC1 ZINC000426748372 416783101 /nfs/dbraw/zinc/78/31/01/416783101.db2.gz WUVYNXXJPNQGHA-UHFFFAOYSA-N 1 2 305.426 0.741 10 0 DCAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000375938701 417013218 /nfs/dbraw/zinc/01/32/18/417013218.db2.gz UTIXAFFUWDVXGT-LZWOXQAQSA-N 1 2 323.437 0.661 10 0 DCAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000375938701 417013225 /nfs/dbraw/zinc/01/32/25/417013225.db2.gz UTIXAFFUWDVXGT-LZWOXQAQSA-N 1 2 323.437 0.661 10 0 DCAELO Nc1cc([C@@H]2c3ccccc3CCN2S(N)(=O)=O)cc[nH+]1 ZINC000616583255 417080951 /nfs/dbraw/zinc/08/09/51/417080951.db2.gz HFJBXFXTLFXDDJ-CQSZACIVSA-N 1 2 304.375 0.815 10 0 DCAELO Nc1ccc([C@@H]2CN(S(=O)(=O)c3ccccc3)CC[NH2+]2)cn1 ZINC000616604631 417083565 /nfs/dbraw/zinc/08/35/65/417083565.db2.gz XWLCYFNQOMFJHJ-AWEZNQCLSA-N 1 2 318.402 0.999 10 0 DCAELO Cc1nc(NCCCn2cc(Br)cn2)nc(N)[nH+]1 ZINC000381217817 417085532 /nfs/dbraw/zinc/08/55/32/417085532.db2.gz XTYGHLVHUPQEDU-UHFFFAOYSA-N 1 2 312.175 0.645 10 0 DCAELO Cc1nc(N)nc(NCCCn2cc(Br)cn2)[nH+]1 ZINC000381217817 417085540 /nfs/dbraw/zinc/08/55/40/417085540.db2.gz XTYGHLVHUPQEDU-UHFFFAOYSA-N 1 2 312.175 0.645 10 0 DCAELO CCOC(=O)c1cccc([C@H]2C[NH2+]CCN2S(N)(=O)=O)c1 ZINC000616638018 417087068 /nfs/dbraw/zinc/08/70/68/417087068.db2.gz FHFSRUYLEDXRNG-GFCCVEGCSA-N 1 2 313.379 0.013 10 0 DCAELO CC(C)CN(C)S(=O)(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000408017173 417133700 /nfs/dbraw/zinc/13/37/00/417133700.db2.gz PUNWJRSXFFSGPR-OLZOCXBDSA-N 1 2 305.444 0.224 10 0 DCAELO CC(C)CN(C)S(=O)(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000408017173 417133705 /nfs/dbraw/zinc/13/37/05/417133705.db2.gz PUNWJRSXFFSGPR-OLZOCXBDSA-N 1 2 305.444 0.224 10 0 DCAELO CC(C)CN(C)S(=O)(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000408017172 417133900 /nfs/dbraw/zinc/13/39/00/417133900.db2.gz PUNWJRSXFFSGPR-CHWSQXEVSA-N 1 2 305.444 0.224 10 0 DCAELO CC(C)CN(C)S(=O)(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000408017172 417133908 /nfs/dbraw/zinc/13/39/08/417133908.db2.gz PUNWJRSXFFSGPR-CHWSQXEVSA-N 1 2 305.444 0.224 10 0 DCAELO C[C@H]1C[C@H]1CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000525233030 417130112 /nfs/dbraw/zinc/13/01/12/417130112.db2.gz WRLTUZGRTXDKPD-STQMWFEESA-N 1 2 307.398 0.993 10 0 DCAELO CC(C)[C@@H]1CN(C(=O)CS(=O)(=O)C(C)(C)C)CC[N@@H+]1C ZINC000408359509 417155578 /nfs/dbraw/zinc/15/55/78/417155578.db2.gz UNYRLUYBXAUGPN-LBPRGKRZSA-N 1 2 304.456 0.998 10 0 DCAELO CC(C)[C@@H]1CN(C(=O)CS(=O)(=O)C(C)(C)C)CC[N@H+]1C ZINC000408359509 417155585 /nfs/dbraw/zinc/15/55/85/417155585.db2.gz UNYRLUYBXAUGPN-LBPRGKRZSA-N 1 2 304.456 0.998 10 0 DCAELO CN(C[C@H]1C[N@H+](C)CCO1)S(=O)(=O)c1cccc(F)c1 ZINC000632628858 417202957 /nfs/dbraw/zinc/20/29/57/417202957.db2.gz BEMXNUKUOUFYDU-GFCCVEGCSA-N 1 2 302.371 0.777 10 0 DCAELO CN(C[C@H]1C[N@@H+](C)CCO1)S(=O)(=O)c1cccc(F)c1 ZINC000632628858 417202962 /nfs/dbraw/zinc/20/29/62/417202962.db2.gz BEMXNUKUOUFYDU-GFCCVEGCSA-N 1 2 302.371 0.777 10 0 DCAELO Cc1ccc(S(=O)(=O)N2CC[NH+](C3CC3)CC2)cc1C(N)=O ZINC000620752578 417271860 /nfs/dbraw/zinc/27/18/60/417271860.db2.gz GJOFZXGQTZXBOJ-UHFFFAOYSA-N 1 2 323.418 0.563 10 0 DCAELO CC(C)(C)n1nnnc1C[NH+]1CCC(C2N=NC(=O)O2)CC1 ZINC000450920283 417280553 /nfs/dbraw/zinc/28/05/53/417280553.db2.gz VMNZSNHNCIVECP-UHFFFAOYSA-N 1 2 307.358 0.896 10 0 DCAELO Cc1nc(S(=O)(=O)N2CC[NH+](CC[C@@H](C)O)CC2)cs1 ZINC000450548815 417236347 /nfs/dbraw/zinc/23/63/47/417236347.db2.gz AEJFHMHMQJUFEA-SNVBAGLBSA-N 1 2 319.452 0.529 10 0 DCAELO CN1CC[NH+](Cc2cccc(NC(=O)[C@H]3CNC(=O)C3)c2)CC1 ZINC000194826065 261148559 /nfs/dbraw/zinc/14/85/59/261148559.db2.gz HIAOMTSFKXNDNO-CQSZACIVSA-N 1 2 316.405 0.509 10 0 DCAELO Cc1cc(NC(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)n(C)n1 ZINC000490945397 272084640 /nfs/dbraw/zinc/08/46/40/272084640.db2.gz SJRWXHITOWLWGM-UHFFFAOYSA-N 1 2 316.365 0.796 10 0 DCAELO COC(=O)[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCN(C)CC2)C[C@H]1C ZINC000408321903 277350447 /nfs/dbraw/zinc/35/04/47/277350447.db2.gz SDDTWSDYLDOIJJ-MGPQQGTHSA-N 1 2 311.426 0.280 10 0 DCAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@@H]1CCN(C)C1=O)C2 ZINC000163832311 278074461 /nfs/dbraw/zinc/07/44/61/278074461.db2.gz DVALXBHNGAWCIP-LLVKDONJSA-N 1 2 319.409 0.842 10 0 DCAELO CC(=O)NC1(C(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)CCCCC1 ZINC000152408266 278081843 /nfs/dbraw/zinc/08/18/43/278081843.db2.gz KJCMMTFPKRDBNS-KBPBESRZSA-N 1 2 309.410 0.367 10 0 DCAELO CC(=O)NC1(C(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)CCCCC1 ZINC000152408266 278081844 /nfs/dbraw/zinc/08/18/44/278081844.db2.gz KJCMMTFPKRDBNS-KBPBESRZSA-N 1 2 309.410 0.367 10 0 DCAELO C[C@@H]1C[N@H+](CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)C[C@H](C(N)=O)O1 ZINC000246283849 288138282 /nfs/dbraw/zinc/13/82/82/288138282.db2.gz BAJWUXBRWSAMCQ-CBBWQLFWSA-N 1 2 323.437 0.742 10 0 DCAELO C[C@@H]1C[N@@H+](CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)C[C@H](C(N)=O)O1 ZINC000246283849 288138284 /nfs/dbraw/zinc/13/82/84/288138284.db2.gz BAJWUXBRWSAMCQ-CBBWQLFWSA-N 1 2 323.437 0.742 10 0 DCAELO Cc1cc(CCNC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)on1 ZINC000553926422 288310677 /nfs/dbraw/zinc/31/06/77/288310677.db2.gz PXHWNWVZXPKZLI-OLZOCXBDSA-N 1 2 310.398 0.934 10 0 DCAELO C[C@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329155062 290378434 /nfs/dbraw/zinc/37/84/34/290378434.db2.gz CHCAUPWAUGIBRR-RWMBFGLXSA-N 1 2 300.424 0.506 10 0 DCAELO C[C@H]1CCCCN1C(=O)C[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329155062 290378436 /nfs/dbraw/zinc/37/84/36/290378436.db2.gz CHCAUPWAUGIBRR-RWMBFGLXSA-N 1 2 300.424 0.506 10 0 DCAELO CO[C@H](C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1)c1cnn(C)c1 ZINC000408020685 294186356 /nfs/dbraw/zinc/18/63/56/294186356.db2.gz FCLFMHNIUKGWAC-RDBSUJKOSA-N 1 2 308.382 0.039 10 0 DCAELO CO[C@H](C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1)c1cnn(C)c1 ZINC000408020685 294186361 /nfs/dbraw/zinc/18/63/61/294186361.db2.gz FCLFMHNIUKGWAC-RDBSUJKOSA-N 1 2 308.382 0.039 10 0 DCAELO Cn1ncc(N2CC[NH+](C3CC3)CC2)c(Br)c1=O ZINC000301221121 294537306 /nfs/dbraw/zinc/53/73/06/294537306.db2.gz BIPVSBJAZAIIPE-UHFFFAOYSA-N 1 2 313.199 0.827 10 0 DCAELO Nc1nccnc1C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000114690184 295371995 /nfs/dbraw/zinc/37/19/95/295371995.db2.gz SXBJHZQDVJYGFC-LBPRGKRZSA-N 1 2 305.382 0.386 10 0 DCAELO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1C[C@H]2OCCN(C)[C@H]2C1 ZINC000352093689 298121517 /nfs/dbraw/zinc/12/15/17/298121517.db2.gz SQLBGRWZNCWUQO-GRYCIOLGSA-N 1 2 312.414 0.014 10 0 DCAELO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1C[C@H]2OCCN(C)[C@H]2C1 ZINC000352093689 298121519 /nfs/dbraw/zinc/12/15/19/298121519.db2.gz SQLBGRWZNCWUQO-GRYCIOLGSA-N 1 2 312.414 0.014 10 0 DCAELO C[C@H]1C[NH+]=C(N2CCN(C(=O)[C@@H]3CCCCC(=O)N3)CC2)S1 ZINC000194200602 300320542 /nfs/dbraw/zinc/32/05/42/300320542.db2.gz COQBVFJWNJUGKB-RYUDHWBXSA-N 1 2 324.450 0.681 10 0 DCAELO Cc1cnc(C(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)c(O)c1 ZINC000408106990 302332425 /nfs/dbraw/zinc/33/24/25/302332425.db2.gz MPSJKWUPXSYMIA-GFCCVEGCSA-N 1 2 315.377 0.958 10 0 DCAELO Cc1ccc(OC[C@H](O)C[NH+]2CCN(C[C@H](C)O)CC2)cc1 ZINC000189385257 333081220 /nfs/dbraw/zinc/08/12/20/333081220.db2.gz NBTGPVMXNJHRLA-JKSUJKDBSA-N 1 2 308.422 0.733 10 0 DCAELO C[C@@H]1CN(C(=O)C(=O)c2ccc3c(c2)CCC3)CC[N@@H+]1CCO ZINC000187301044 534298892 /nfs/dbraw/zinc/29/88/92/534298892.db2.gz VJVKSGLKYNGRQM-CYBMUJFWSA-N 1 2 316.401 0.883 10 0 DCAELO C[C@@H]1CN(C(=O)C(=O)c2ccc3c(c2)CCC3)CC[N@H+]1CCO ZINC000187301044 534298894 /nfs/dbraw/zinc/29/88/94/534298894.db2.gz VJVKSGLKYNGRQM-CYBMUJFWSA-N 1 2 316.401 0.883 10 0 DCAELO Cn1ncc2c1nc(N1CC[C@@](O)(C(F)(F)F)C1)[nH+]c2N ZINC000278160793 518195716 /nfs/dbraw/zinc/19/57/16/518195716.db2.gz CBJJMVWQCXWRFE-JTQLQIEISA-N 1 2 302.260 0.449 10 0 DCAELO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCN(CC(F)F)[C@H](CC)C1 ZINC000245724177 521741487 /nfs/dbraw/zinc/74/14/87/521741487.db2.gz IAQRWCTYUDDFKO-GHMZBOCLSA-N 1 2 320.384 0.882 10 0 DCAELO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCN(CC(F)F)[C@H](CC)C1 ZINC000245724177 521741488 /nfs/dbraw/zinc/74/14/88/521741488.db2.gz IAQRWCTYUDDFKO-GHMZBOCLSA-N 1 2 320.384 0.882 10 0 DCAELO COCCn1ccc(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1 ZINC000189948196 522123834 /nfs/dbraw/zinc/12/38/34/522123834.db2.gz ZCOFNGNSMQENDU-HIFRSBDPSA-N 1 2 322.409 0.322 10 0 DCAELO COCCn1ccc(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1 ZINC000189948248 522125078 /nfs/dbraw/zinc/12/50/78/522125078.db2.gz ZCOFNGNSMQENDU-DZGCQCFKSA-N 1 2 322.409 0.322 10 0 DCAELO COC(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ncccn2)C[C@H]1C ZINC000249063565 523719142 /nfs/dbraw/zinc/71/91/42/523719142.db2.gz JUJICQMXXNTSGG-IJLUTSLNSA-N 1 2 306.366 0.935 10 0 DCAELO COC(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ncccn2)C[C@H]1C ZINC000249063565 523719151 /nfs/dbraw/zinc/71/91/51/523719151.db2.gz JUJICQMXXNTSGG-IJLUTSLNSA-N 1 2 306.366 0.935 10 0 DCAELO CN1CC[NH+](C[C@H]2CN(C(=O)/C=C/c3ccc[nH]3)CCO2)CC1 ZINC000364850284 523906972 /nfs/dbraw/zinc/90/69/72/523906972.db2.gz UQRSZQBJMLUUKJ-APHBUQMISA-N 1 2 318.421 0.503 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)Cn2cnc(-c3ccccc3)n2)C1 ZINC000129416706 523946536 /nfs/dbraw/zinc/94/65/36/523946536.db2.gz RKNMSGORKCINBK-CQSZACIVSA-N 1 2 315.377 0.392 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)Cn2cnc(-c3ccccc3)n2)C1 ZINC000129416706 523946543 /nfs/dbraw/zinc/94/65/43/523946543.db2.gz RKNMSGORKCINBK-CQSZACIVSA-N 1 2 315.377 0.392 10 0 DCAELO COc1ccc2[nH]c(C(=O)NC[C@@H]3C[NH+]4CCN3CC4)cc2c1 ZINC000189524228 525479066 /nfs/dbraw/zinc/47/90/66/525479066.db2.gz BPQSDCLHKBRPSZ-CYBMUJFWSA-N 1 2 314.389 0.906 10 0 DCAELO O=Cc1ccc(OCC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cc1 ZINC000160403655 527149795 /nfs/dbraw/zinc/14/97/95/527149795.db2.gz KYNDGSDPWPDKLC-INIZCTEOSA-N 1 2 318.373 0.857 10 0 DCAELO O=Cc1ccc(OCC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cc1 ZINC000160403655 527149801 /nfs/dbraw/zinc/14/98/01/527149801.db2.gz KYNDGSDPWPDKLC-INIZCTEOSA-N 1 2 318.373 0.857 10 0 DCAELO O=S(=O)(C[C@@H]1CCCCO1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000246794650 527181063 /nfs/dbraw/zinc/18/10/63/527181063.db2.gz ARFKMILWNNUNRF-KGLIPLIRSA-N 1 2 318.439 0.292 10 0 DCAELO CC(=O)c1ccccc1NC(=O)CN1CC[N@H+](CCO)[C@H](C)C1 ZINC000187721186 527396326 /nfs/dbraw/zinc/39/63/26/527396326.db2.gz BUCSRWLFBOBZML-CYBMUJFWSA-N 1 2 319.405 0.826 10 0 DCAELO CC(=O)c1ccccc1NC(=O)CN1CC[N@@H+](CCO)[C@H](C)C1 ZINC000187721186 527396330 /nfs/dbraw/zinc/39/63/30/527396330.db2.gz BUCSRWLFBOBZML-CYBMUJFWSA-N 1 2 319.405 0.826 10 0 DCAELO CC(C)n1ccnc1C[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000170958727 528605228 /nfs/dbraw/zinc/60/52/28/528605228.db2.gz AHLBWGWWYWQFAO-LBPRGKRZSA-N 1 2 315.443 0.469 10 0 DCAELO CC(C)n1ccnc1C[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000170958727 528605234 /nfs/dbraw/zinc/60/52/34/528605234.db2.gz AHLBWGWWYWQFAO-LBPRGKRZSA-N 1 2 315.443 0.469 10 0 DCAELO CC[N@H+](Cc1nnc(C)o1)[C@H]1CN(c2nccc(C)n2)C[C@H]1O ZINC000328644554 528890282 /nfs/dbraw/zinc/89/02/82/528890282.db2.gz RUZZXMROIFUUDG-QWHCGFSZSA-N 1 2 318.381 0.548 10 0 DCAELO CC[N@@H+](Cc1nnc(C)o1)[C@H]1CN(c2nccc(C)n2)C[C@H]1O ZINC000328644554 528890289 /nfs/dbraw/zinc/89/02/89/528890289.db2.gz RUZZXMROIFUUDG-QWHCGFSZSA-N 1 2 318.381 0.548 10 0 DCAELO CNC(=O)c1cccc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)c1 ZINC000283972265 536436580 /nfs/dbraw/zinc/43/65/80/536436580.db2.gz GZBSCXYQLGIYEV-CABCVRRESA-N 1 2 317.389 0.591 10 0 DCAELO CNC(=O)c1cccc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)c1 ZINC000283972265 536436584 /nfs/dbraw/zinc/43/65/84/536436584.db2.gz GZBSCXYQLGIYEV-CABCVRRESA-N 1 2 317.389 0.591 10 0 DCAELO C[NH2+][C@H](CCn1cc(I)cn1)C(=O)OC ZINC000070678731 545663762 /nfs/dbraw/zinc/66/37/62/545663762.db2.gz POBWKBRJFRHLPB-MRVPVSSYSA-N 1 2 323.134 0.639 10 0 DCAELO O=C(Nc1ccc(NC(=O)[C@@H]2COCC[NH2+]2)cc1)NC1CC1 ZINC000237923247 545959072 /nfs/dbraw/zinc/95/90/72/545959072.db2.gz URTVFFCZVOGKHK-ZDUSSCGKSA-N 1 2 304.350 0.897 10 0 DCAELO Cn1cc(C(=O)c2nc([C@@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)cn1 ZINC000350362675 546162275 /nfs/dbraw/zinc/16/22/75/546162275.db2.gz VPTBHACFDOOMBP-NHYWBVRUSA-N 1 2 317.349 0.960 10 0 DCAELO Cn1cc(C(=O)c2nc([C@@H]3C[N@H+]4CCC[C@@]4(C)CO3)no2)cn1 ZINC000350362675 546162277 /nfs/dbraw/zinc/16/22/77/546162277.db2.gz VPTBHACFDOOMBP-NHYWBVRUSA-N 1 2 317.349 0.960 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2ccccc2Cn2ccnn2)C1 ZINC000667605394 546626819 /nfs/dbraw/zinc/62/68/19/546626819.db2.gz GMCQTWXMFRGYGO-AWEZNQCLSA-N 1 2 315.377 0.387 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)c2ccccc2Cn2ccnn2)C1 ZINC000667605394 546626824 /nfs/dbraw/zinc/62/68/24/546626824.db2.gz GMCQTWXMFRGYGO-AWEZNQCLSA-N 1 2 315.377 0.387 10 0 DCAELO C#CCNC(=O)C[NH+](CCC1=CCCCC1)CC(=O)NCC#C ZINC000047613487 658021781 /nfs/dbraw/zinc/02/17/81/658021781.db2.gz KMLXPKFVZSDBFS-UHFFFAOYSA-N 1 2 315.417 0.678 10 0 DCAELO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000128160563 663083404 /nfs/dbraw/zinc/08/34/04/663083404.db2.gz XNNSIBXFGDRRRA-XIRDDKMYSA-N 1 2 318.417 0.908 10 0 DCAELO C[C@@H](C(=O)NC[C@H]1C[N@H+](C)CCO1)N1CCc2ccccc21 ZINC000171286094 664606647 /nfs/dbraw/zinc/60/66/47/664606647.db2.gz OANSMECQORRHMF-ZFWWWQNUSA-N 1 2 303.406 0.884 10 0 DCAELO C[C@@H](C(=O)NC[C@H]1C[N@@H+](C)CCO1)N1CCc2ccccc21 ZINC000171286094 664606648 /nfs/dbraw/zinc/60/66/48/664606648.db2.gz OANSMECQORRHMF-ZFWWWQNUSA-N 1 2 303.406 0.884 10 0 DCAELO CCOC(=O)c1cn(CN2CC[C@@H]([NH+]3CCOCC3)C2)nc1C ZINC000172962418 664626280 /nfs/dbraw/zinc/62/62/80/664626280.db2.gz FLXFVCRLBYKCPM-CQSZACIVSA-N 1 2 322.409 0.732 10 0 DCAELO O=C(Cc1cc[nH]n1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000173154925 664627178 /nfs/dbraw/zinc/62/71/78/664627178.db2.gz VLGARHKFCFCYQZ-INIZCTEOSA-N 1 2 314.389 0.830 10 0 DCAELO O=C(Cc1ccn[nH]1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000173154925 664627181 /nfs/dbraw/zinc/62/71/81/664627181.db2.gz VLGARHKFCFCYQZ-INIZCTEOSA-N 1 2 314.389 0.830 10 0 DCAELO COC(=O)c1ncn(C[NH+]2CCC(Cn3cccn3)CC2)n1 ZINC000152773984 664772903 /nfs/dbraw/zinc/77/29/03/664772903.db2.gz PNPJLEJAFNKNIX-UHFFFAOYSA-N 1 2 304.354 0.631 10 0 DCAELO CC[N@H+](CCc1ccc(S(N)(=O)=O)cc1)CC(=O)OC ZINC000730939278 664828720 /nfs/dbraw/zinc/82/87/20/664828720.db2.gz CXPJZKXJKXMTRB-UHFFFAOYSA-N 1 2 300.380 0.371 10 0 DCAELO CC[N@@H+](CCc1ccc(S(N)(=O)=O)cc1)CC(=O)OC ZINC000730939278 664828722 /nfs/dbraw/zinc/82/87/22/664828722.db2.gz CXPJZKXJKXMTRB-UHFFFAOYSA-N 1 2 300.380 0.371 10 0 DCAELO C[C@@H](O)CN1CC[N@@H+](CCCNC(=O)C(F)(F)F)C[C@@H]1C ZINC000154810488 665183324 /nfs/dbraw/zinc/18/33/24/665183324.db2.gz ATMFMPHCVPRDEA-WDEREUQCSA-N 1 2 311.348 0.442 10 0 DCAELO C[C@@H](O)CN1CC[N@H+](CCCNC(=O)C(F)(F)F)C[C@@H]1C ZINC000154810488 665183322 /nfs/dbraw/zinc/18/33/22/665183322.db2.gz ATMFMPHCVPRDEA-WDEREUQCSA-N 1 2 311.348 0.442 10 0 DCAELO CC[S@](=O)CCNC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000741090284 667758777 /nfs/dbraw/zinc/75/87/77/667758777.db2.gz PGTVNHGKLTXJGN-ODXCJYRJSA-N 1 2 305.444 0.023 10 0 DCAELO Cc1nn(C)c(Cl)c1C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000188793554 670047853 /nfs/dbraw/zinc/04/78/53/670047853.db2.gz ZHKOHLPIOAYGTF-SECBINFHSA-N 1 2 300.790 0.521 10 0 DCAELO Cc1nn(C)c(Cl)c1C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000188793554 670047856 /nfs/dbraw/zinc/04/78/56/670047856.db2.gz ZHKOHLPIOAYGTF-SECBINFHSA-N 1 2 300.790 0.521 10 0 DCAELO CN(CCCn1cc[nH+]c1)C(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000186746594 1187415789 /nfs/dbraw/zinc/41/57/89/1187415789.db2.gz NYCXDCSCLDAYHU-UHFFFAOYSA-N 1 2 312.333 0.677 10 0 DCAELO CN(C)S(=O)(=O)CC[N@@H+]1CCCC[C@@H]1c1ccnn1C ZINC000367151343 282155777 /nfs/dbraw/zinc/15/57/77/282155777.db2.gz OQEKIBGCXFYUGS-CYBMUJFWSA-N 1 2 300.428 0.839 10 0 DCAELO CN(C)S(=O)(=O)CC[N@H+]1CCCC[C@@H]1c1ccnn1C ZINC000367151343 282155779 /nfs/dbraw/zinc/15/57/79/282155779.db2.gz OQEKIBGCXFYUGS-CYBMUJFWSA-N 1 2 300.428 0.839 10 0 DCAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1ccc(O)c(Cl)c1 ZINC000176439302 295677107 /nfs/dbraw/zinc/67/71/07/295677107.db2.gz ITDKNJNZTFGVAA-NSHDSACASA-N 1 2 314.769 0.469 10 0 DCAELO O=C(c1cn[nH]c1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000171558628 197941440 /nfs/dbraw/zinc/94/14/40/197941440.db2.gz XOOCNOJGROVURE-HNNXBMFYSA-N 1 2 300.362 0.901 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cnns2)nc[nH+]1 ZINC000173431745 198214207 /nfs/dbraw/zinc/21/42/07/198214207.db2.gz ZILYMAYLKPLZJU-SECBINFHSA-N 1 2 319.394 0.769 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cnns2)[nH+]cn1 ZINC000173431745 198214210 /nfs/dbraw/zinc/21/42/10/198214210.db2.gz ZILYMAYLKPLZJU-SECBINFHSA-N 1 2 319.394 0.769 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cnccn2)nc[nH+]1 ZINC000173443101 198215420 /nfs/dbraw/zinc/21/54/20/198215420.db2.gz GRHLFPOMFBSDSS-NSHDSACASA-N 1 2 313.365 0.707 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cnccn2)[nH+]cn1 ZINC000173443101 198215421 /nfs/dbraw/zinc/21/54/21/198215421.db2.gz GRHLFPOMFBSDSS-NSHDSACASA-N 1 2 313.365 0.707 10 0 DCAELO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H]1C[C@H]1C ZINC000162360251 237106431 /nfs/dbraw/zinc/10/64/31/237106431.db2.gz AJYKENFIDJYQRR-MFKMUULPSA-N 1 2 318.377 0.690 10 0 DCAELO C[C@H]1CCCN(S(=O)(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000170885282 237130246 /nfs/dbraw/zinc/13/02/46/237130246.db2.gz BUFRESZJSMOSGM-ZDUSSCGKSA-N 1 2 319.471 0.664 10 0 DCAELO C[C@H]1CCCN(S(=O)(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000170885282 237130253 /nfs/dbraw/zinc/13/02/53/237130253.db2.gz BUFRESZJSMOSGM-ZDUSSCGKSA-N 1 2 319.471 0.664 10 0 DCAELO C[C@H]1CCCN(S(=O)(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000188085323 237365579 /nfs/dbraw/zinc/36/55/79/237365579.db2.gz GFMRMZKDNCZKOC-ZDUSSCGKSA-N 1 2 319.471 0.664 10 0 DCAELO C[C@H]1CCCN(S(=O)(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000188085323 237365581 /nfs/dbraw/zinc/36/55/81/237365581.db2.gz GFMRMZKDNCZKOC-ZDUSSCGKSA-N 1 2 319.471 0.664 10 0 DCAELO C[C@H](NC(=O)NCc1cc(C(N)=O)co1)[C@H](C)[NH+]1CCOCC1 ZINC000187033233 237339407 /nfs/dbraw/zinc/33/94/07/237339407.db2.gz DBDKAJZEXHXXKZ-QWRGUYRKSA-N 1 2 324.381 0.287 10 0 DCAELO CC[C@@H]1C[N@H+](CC(=O)NC2CCOCC2)CCN1CC(F)F ZINC000153686594 291208347 /nfs/dbraw/zinc/20/83/47/291208347.db2.gz WMDAZYPJRSUYDL-CYBMUJFWSA-N 1 2 319.396 0.943 10 0 DCAELO CC[C@@H]1C[N@@H+](CC(=O)NC2CCOCC2)CCN1CC(F)F ZINC000153686594 291208348 /nfs/dbraw/zinc/20/83/48/291208348.db2.gz WMDAZYPJRSUYDL-CYBMUJFWSA-N 1 2 319.396 0.943 10 0 DCAELO Cc1cccnc1C[NH+]1CCN(CC(=O)N2CCOCC2)CC1 ZINC000093157850 193210062 /nfs/dbraw/zinc/21/00/62/193210062.db2.gz YYYRJPZFIIBOKW-UHFFFAOYSA-N 1 2 318.421 0.366 10 0 DCAELO CC(C)(C)n1nccc1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000093201852 193215266 /nfs/dbraw/zinc/21/52/66/193215266.db2.gz SWCVUERJKRBLRH-UHFFFAOYSA-N 1 2 319.409 0.883 10 0 DCAELO Cc1cc(S(=O)(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c(C)s1 ZINC000264709137 204092209 /nfs/dbraw/zinc/09/22/09/204092209.db2.gz BAWKQTHGYPSPJU-GFCCVEGCSA-N 1 2 317.480 0.889 10 0 DCAELO Cc1cc(S(=O)(=O)NC[C@@H]2C[N@H+](C)CCN2C)c(C)s1 ZINC000264709137 204092213 /nfs/dbraw/zinc/09/22/13/204092213.db2.gz BAWKQTHGYPSPJU-GFCCVEGCSA-N 1 2 317.480 0.889 10 0 DCAELO O=C(c1ccc2n[nH]nc2c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172744729 296230250 /nfs/dbraw/zinc/23/02/50/296230250.db2.gz LLTFQGSUUZBRLY-GFCCVEGCSA-N 1 2 301.350 0.505 10 0 DCAELO C[C@@H](C(=O)Nc1nc2c(s1)C[N@H+](C)CC2)N1CCOCC1 ZINC000041573179 183206352 /nfs/dbraw/zinc/20/63/52/183206352.db2.gz BIYOCKPGPKDNNO-JTQLQIEISA-N 1 2 310.423 0.790 10 0 DCAELO C[C@@H](C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2)N1CCOCC1 ZINC000041573179 183206353 /nfs/dbraw/zinc/20/63/53/183206353.db2.gz BIYOCKPGPKDNNO-JTQLQIEISA-N 1 2 310.423 0.790 10 0 DCAELO CN(C)C(=O)c1ccc(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000105280183 194093054 /nfs/dbraw/zinc/09/30/54/194093054.db2.gz XFMTTWBPAUHGDT-CQSZACIVSA-N 1 2 320.393 0.841 10 0 DCAELO CN(C)C(=O)c1ccc(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000105280183 194093056 /nfs/dbraw/zinc/09/30/56/194093056.db2.gz XFMTTWBPAUHGDT-CQSZACIVSA-N 1 2 320.393 0.841 10 0 DCAELO COc1cnc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)nc1 ZINC000340169173 253210633 /nfs/dbraw/zinc/21/06/33/253210633.db2.gz ODGLSLJVGGLGTM-CYBMUJFWSA-N 1 2 320.393 0.812 10 0 DCAELO COc1ccc(C(=O)N(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)nn1 ZINC000276383550 533286774 /nfs/dbraw/zinc/28/67/74/533286774.db2.gz JINHANCLTQJBOK-ZDUSSCGKSA-N 1 2 320.393 0.668 10 0 DCAELO COc1ccc(C(=O)N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)nn1 ZINC000276383550 533286778 /nfs/dbraw/zinc/28/67/78/533286778.db2.gz JINHANCLTQJBOK-ZDUSSCGKSA-N 1 2 320.393 0.668 10 0 DCAELO CN1CCO[C@@H]2CCN(C(=O)NCCCn3cc[nH+]c3)C[C@@H]21 ZINC000284167610 131055738 /nfs/dbraw/zinc/05/57/38/131055738.db2.gz WVRIDGGHGZTBGB-UONOGXRCSA-N 1 2 307.398 0.388 10 0 DCAELO COC[C@@H]1CN(c2cc(N3CCOCC3)[nH+]cn2)CC(C)(C)O1 ZINC000285228749 131149442 /nfs/dbraw/zinc/14/94/42/131149442.db2.gz YBHUESHNJAJWMQ-ZDUSSCGKSA-N 1 2 322.409 0.943 10 0 DCAELO COC[C@@H]1CN(c2cc(N3CCOCC3)nc[nH+]2)CC(C)(C)O1 ZINC000285228749 131149443 /nfs/dbraw/zinc/14/94/43/131149443.db2.gz YBHUESHNJAJWMQ-ZDUSSCGKSA-N 1 2 322.409 0.943 10 0 DCAELO O=C(c1nnc2ccccc2n1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000366698392 131745393 /nfs/dbraw/zinc/74/53/93/131745393.db2.gz IUWFAZBSYROQSY-GFCCVEGCSA-N 1 2 313.361 0.572 10 0 DCAELO CC(=O)N1CC[NH+](CCNC(=O)C2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000093969406 395739482 /nfs/dbraw/zinc/73/94/82/395739482.db2.gz LIMQLCWUICMLBW-CHWSQXEVSA-N 1 2 311.426 0.470 10 0 DCAELO CC(C)Cn1ccnc(NC[C@@H](O)C[NH+]2CCOCC2)c1=O ZINC000094132242 395740015 /nfs/dbraw/zinc/74/00/15/395740015.db2.gz TZRZKNNFPPBHOI-CYBMUJFWSA-N 1 2 310.398 0.004 10 0 DCAELO C[C@@H]1CCNC(=O)[C@H]1NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000193753940 395778205 /nfs/dbraw/zinc/77/82/05/395778205.db2.gz KUHCECRCCLPRQY-PWSUYJOCSA-N 1 2 305.382 0.471 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)NCCCOCC(F)(F)F)C1 ZINC000104788779 395778912 /nfs/dbraw/zinc/77/89/12/395778912.db2.gz RTQJBNFVWKTLDF-SNVBAGLBSA-N 1 2 313.320 0.585 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)NCCCOCC(F)(F)F)C1 ZINC000104788779 395778916 /nfs/dbraw/zinc/77/89/16/395778916.db2.gz RTQJBNFVWKTLDF-SNVBAGLBSA-N 1 2 313.320 0.585 10 0 DCAELO CC(=O)c1cc(C(=O)NC[C@H](O)C[NH+]2CCOCC2)ccc1C ZINC000193786455 395778996 /nfs/dbraw/zinc/77/89/96/395778996.db2.gz UGGCIXKWKROLFN-HNNXBMFYSA-N 1 2 320.389 0.621 10 0 DCAELO COCCOCC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000111663565 395811584 /nfs/dbraw/zinc/81/15/84/395811584.db2.gz MIWZSVZXAUBIMM-AWEZNQCLSA-N 1 2 300.399 0.363 10 0 DCAELO CCn1cc[nH+]c1CS(=O)(=O)[C@@H](C)C(=O)NCC(C)C ZINC000195519672 395831400 /nfs/dbraw/zinc/83/14/00/395831400.db2.gz GHCPZGRUFCFSIF-NSHDSACASA-N 1 2 301.412 0.979 10 0 DCAELO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116419334 395844028 /nfs/dbraw/zinc/84/40/28/395844028.db2.gz BCGHZWXRGVFGST-KGLIPLIRSA-N 1 2 321.425 0.640 10 0 DCAELO Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)cc1 ZINC000116892397 395849062 /nfs/dbraw/zinc/84/90/62/395849062.db2.gz GHNHDNNOEZTQNF-ZDUSSCGKSA-N 1 2 311.407 0.557 10 0 DCAELO Cc1ccc(NC(=O)C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)cc1 ZINC000116892397 395849063 /nfs/dbraw/zinc/84/90/63/395849063.db2.gz GHNHDNNOEZTQNF-ZDUSSCGKSA-N 1 2 311.407 0.557 10 0 DCAELO O=C(C[NH+]1CCN(Cc2noc3c2CCCC3)CC1)NC1CC1 ZINC000108851147 395793719 /nfs/dbraw/zinc/79/37/19/395793719.db2.gz SDQYVNRYQOVTCK-UHFFFAOYSA-N 1 2 318.421 0.950 10 0 DCAELO Cn1cc[nH+]c1CN1CCN(CC(=O)NCC2CCC2)CC1 ZINC000108917969 395795043 /nfs/dbraw/zinc/79/50/43/395795043.db2.gz BNYHLGJBUIQTIM-UHFFFAOYSA-N 1 2 305.426 0.454 10 0 DCAELO COC(=O)[C@@H]1CCC[C@@H](C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000245418225 395928980 /nfs/dbraw/zinc/92/89/80/395928980.db2.gz AMILQAXINLSALW-NFAWXSAZSA-N 1 2 324.421 0.945 10 0 DCAELO COC(=O)[C@@H]1CCC[C@@H](C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000245418225 395928984 /nfs/dbraw/zinc/92/89/84/395928984.db2.gz AMILQAXINLSALW-NFAWXSAZSA-N 1 2 324.421 0.945 10 0 DCAELO O=C(NC[C@@H]1CCCS1(=O)=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000124571888 395900796 /nfs/dbraw/zinc/90/07/96/395900796.db2.gz TZZNTWGWEMUNGU-OLZOCXBDSA-N 1 2 313.423 0.219 10 0 DCAELO CC(C)N(C)C(=O)CN1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000054867989 395907631 /nfs/dbraw/zinc/90/76/31/395907631.db2.gz AZNPWJBCCRMRDS-CYBMUJFWSA-N 1 2 310.442 0.138 10 0 DCAELO CC(C)N(C)C(=O)C[NH+]1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000054867989 395907633 /nfs/dbraw/zinc/90/76/33/395907633.db2.gz AZNPWJBCCRMRDS-CYBMUJFWSA-N 1 2 310.442 0.138 10 0 DCAELO O=C(NCc1cccnc1-n1cc[nH+]c1)N1CCC[C@@H]1CO ZINC000118568131 395863066 /nfs/dbraw/zinc/86/30/66/395863066.db2.gz YODJLQGBYBZTQV-CYBMUJFWSA-N 1 2 301.350 0.934 10 0 DCAELO Cc1noc(CCNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000119743514 395874897 /nfs/dbraw/zinc/87/48/97/395874897.db2.gz VDKABMBXWWFZGG-GFCCVEGCSA-N 1 2 316.365 0.894 10 0 DCAELO C[C@@H](NS(=O)(=O)N1CCC[C@@H](C)C1)[C@@H](C)[NH+]1CCOCC1 ZINC000245931757 395938406 /nfs/dbraw/zinc/93/84/06/395938406.db2.gz ZFZIRIKLYTUCHD-MGPQQGTHSA-N 1 2 319.471 0.662 10 0 DCAELO C[C@H]1OCC[C@H]1S(=O)(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000135510775 395940356 /nfs/dbraw/zinc/94/03/56/395940356.db2.gz QWAOACZWWYYPIS-DGCLKSJQSA-N 1 2 322.390 0.864 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2cc3c(cc2F)NC(=O)CC3)C1 ZINC000136232773 395945420 /nfs/dbraw/zinc/94/54/20/395945420.db2.gz RUWQSPWSPVIMKN-NSHDSACASA-N 1 2 321.352 0.771 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)c2cc3c(cc2F)NC(=O)CC3)C1 ZINC000136232773 395945424 /nfs/dbraw/zinc/94/54/24/395945424.db2.gz RUWQSPWSPVIMKN-NSHDSACASA-N 1 2 321.352 0.771 10 0 DCAELO COCCCNC(=O)C[N@@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000246493360 395951560 /nfs/dbraw/zinc/95/15/60/395951560.db2.gz KAHRBKNXBBODGT-MGPQQGTHSA-N 1 2 300.399 0.407 10 0 DCAELO COCCCNC(=O)C[N@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000246493360 395951563 /nfs/dbraw/zinc/95/15/63/395951563.db2.gz KAHRBKNXBBODGT-MGPQQGTHSA-N 1 2 300.399 0.407 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)C1 ZINC000248281212 395984277 /nfs/dbraw/zinc/98/42/77/395984277.db2.gz VGOXZWUKXFGUHN-DMRZNYOFSA-N 1 2 301.390 0.955 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)C1 ZINC000248281212 395984281 /nfs/dbraw/zinc/98/42/81/395984281.db2.gz VGOXZWUKXFGUHN-DMRZNYOFSA-N 1 2 301.390 0.955 10 0 DCAELO Cc1cc(C)n(C[C@@H]2C[N@H+](CCN3CCO[C@@H](C)C3)CCO2)n1 ZINC000249075237 396001843 /nfs/dbraw/zinc/00/18/43/396001843.db2.gz RTLIAZLJSHWNRJ-IRXDYDNUSA-N 1 2 322.453 0.921 10 0 DCAELO Cc1cc(C)n(C[C@@H]2C[N@@H+](CCN3CCO[C@@H](C)C3)CCO2)n1 ZINC000249075237 396001846 /nfs/dbraw/zinc/00/18/46/396001846.db2.gz RTLIAZLJSHWNRJ-IRXDYDNUSA-N 1 2 322.453 0.921 10 0 DCAELO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000065423343 395993453 /nfs/dbraw/zinc/99/34/53/395993453.db2.gz BCOPCIZQNXJUHG-RYUDHWBXSA-N 1 2 311.426 0.611 10 0 DCAELO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000065423343 395993456 /nfs/dbraw/zinc/99/34/56/395993456.db2.gz BCOPCIZQNXJUHG-RYUDHWBXSA-N 1 2 311.426 0.611 10 0 DCAELO CC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)c2nc(N)nc(N(C)C)n2)C1 ZINC000255384160 396032882 /nfs/dbraw/zinc/03/28/82/396032882.db2.gz AOUMGAFGJJUPHP-MWLCHTKSSA-N 1 2 307.402 0.181 10 0 DCAELO CC(=O)N[C@@H]1CCC[N@H+]([C@H](C)c2nc(N)nc(N(C)C)n2)C1 ZINC000255384160 396032886 /nfs/dbraw/zinc/03/28/86/396032886.db2.gz AOUMGAFGJJUPHP-MWLCHTKSSA-N 1 2 307.402 0.181 10 0 DCAELO Cc1n[nH]cc1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261615108 396049410 /nfs/dbraw/zinc/04/94/10/396049410.db2.gz COEVDNMVFGHODO-GFCCVEGCSA-N 1 2 307.379 0.448 10 0 DCAELO CC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000152911962 396018020 /nfs/dbraw/zinc/01/80/20/396018020.db2.gz MWPDMLCDTXKWMQ-QWHCGFSZSA-N 1 2 320.418 0.698 10 0 DCAELO COCCN1CC[C@@H]([NH+]2CCN(Cc3ccc[nH]3)CC2)C1=O ZINC000169793247 396093998 /nfs/dbraw/zinc/09/39/98/396093998.db2.gz LDSDNXAVDOJDGW-OAHLLOKOSA-N 1 2 306.410 0.380 10 0 DCAELO COCCN1CC[C@@H](N2CC[NH+](Cc3ccc[nH]3)CC2)C1=O ZINC000169793247 396094001 /nfs/dbraw/zinc/09/40/01/396094001.db2.gz LDSDNXAVDOJDGW-OAHLLOKOSA-N 1 2 306.410 0.380 10 0 DCAELO CC(C)Cn1cc[nH+]c1CNC(=O)CCNS(C)(=O)=O ZINC000173033317 396134104 /nfs/dbraw/zinc/13/41/04/396134104.db2.gz RFBSRSGGSVIIFG-UHFFFAOYSA-N 1 2 302.400 0.095 10 0 DCAELO CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263223659 396206895 /nfs/dbraw/zinc/20/68/95/396206895.db2.gz MKTDUIBEFZOOEE-OUAUKWLOSA-N 1 2 303.353 0.747 10 0 DCAELO Cn1cc(C(=O)NC[C@H](O)C[NH+]2CCOCC2)c2ccccc21 ZINC000176443262 396155788 /nfs/dbraw/zinc/15/57/88/396155788.db2.gz SOFJXGDNWFWVIR-ZDUSSCGKSA-N 1 2 317.389 0.601 10 0 DCAELO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1nnc(NS(C)(=O)=O)s1 ZINC000262598385 396159771 /nfs/dbraw/zinc/15/97/71/396159771.db2.gz AKGVNEJOUGXZDE-NTSWFWBYSA-N 1 2 307.401 0.222 10 0 DCAELO CS(=O)(=O)Nc1cccc2c1CC[N@@H+]([C@@H]1CCNC1=O)C2 ZINC000178193853 396191159 /nfs/dbraw/zinc/19/11/59/396191159.db2.gz KTVRTUOBIOJLAF-CYBMUJFWSA-N 1 2 309.391 0.305 10 0 DCAELO CS(=O)(=O)Nc1cccc2c1CC[N@H+]([C@@H]1CCNC1=O)C2 ZINC000178193853 396191162 /nfs/dbraw/zinc/19/11/62/396191162.db2.gz KTVRTUOBIOJLAF-CYBMUJFWSA-N 1 2 309.391 0.305 10 0 DCAELO CC(C)Cn1cc[nH+]c1CNC(=O)Nc1nccn(C)c1=O ZINC000182722023 396253273 /nfs/dbraw/zinc/25/32/73/396253273.db2.gz RLDSKQRHIZQQOS-UHFFFAOYSA-N 1 2 304.354 0.955 10 0 DCAELO C[C@@H]1CN(C(=O)c2cccc3n[nH]nc32)C[C@@H]1[NH+]1CCOCC1 ZINC000182787953 396254327 /nfs/dbraw/zinc/25/43/27/396254327.db2.gz FWZSHVKZRUPCBM-RISCZKNCSA-N 1 2 315.377 0.751 10 0 DCAELO C[C@@H]1CN(C(=O)c2cccc3nn[nH]c32)C[C@@H]1[NH+]1CCOCC1 ZINC000182787953 396254330 /nfs/dbraw/zinc/25/43/30/396254330.db2.gz FWZSHVKZRUPCBM-RISCZKNCSA-N 1 2 315.377 0.751 10 0 DCAELO COc1cc(N2CC[NH+]([C@H](C)C(=O)NC(C)(C)C)CC2)ncn1 ZINC000184068818 396283369 /nfs/dbraw/zinc/28/33/69/396283369.db2.gz WJUWSNJMKQLERB-GFCCVEGCSA-N 1 2 321.425 0.910 10 0 DCAELO Cc1cnn(C[C@H]2CN(C(=O)[C@@H]3CC(F)(F)C[NH2+]3)CCO2)c1 ZINC000263317298 396213536 /nfs/dbraw/zinc/21/35/36/396213536.db2.gz ZRLYHOSJCJPIDC-NEPJUHHUSA-N 1 2 314.336 0.416 10 0 DCAELO O=C(C[N@H+]1C[C@H](O)C[C@@H]1CO)Nc1ccnn1C1CCCC1 ZINC000179171262 396223412 /nfs/dbraw/zinc/22/34/12/396223412.db2.gz FUTNGLSOBUMRJA-CHWSQXEVSA-N 1 2 308.382 0.364 10 0 DCAELO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1CO)Nc1ccnn1C1CCCC1 ZINC000179171262 396223414 /nfs/dbraw/zinc/22/34/14/396223414.db2.gz FUTNGLSOBUMRJA-CHWSQXEVSA-N 1 2 308.382 0.364 10 0 DCAELO O=C(/C=C/c1ccc(Cl)nc1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000179455156 396227829 /nfs/dbraw/zinc/22/78/29/396227829.db2.gz LAUXXQYNBFUHAK-OHVSUOQFSA-N 1 2 306.797 0.864 10 0 DCAELO Cc1ccc(CS(=O)(=O)C[C@@H](O)Cn2cccn2)c(C)[nH+]1 ZINC000185243385 396322902 /nfs/dbraw/zinc/32/29/02/396322902.db2.gz SGVSYQOLKQKFHV-AWEZNQCLSA-N 1 2 309.391 0.871 10 0 DCAELO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1nc(N(C)C)no1)CC2 ZINC000185266230 396324121 /nfs/dbraw/zinc/32/41/21/396324121.db2.gz KPZJZORQGKZVME-RYUDHWBXSA-N 1 2 310.398 0.888 10 0 DCAELO COC[C@@H](C)S(=O)(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186108444 396341428 /nfs/dbraw/zinc/34/14/28/396341428.db2.gz MTTKDIBKQWSQKT-CYBMUJFWSA-N 1 2 313.423 0.958 10 0 DCAELO Cn1nnc2ccc(C(=O)NC[C@H]3C[N@@H+](C4CC4)CCO3)cc21 ZINC000186384504 396349083 /nfs/dbraw/zinc/34/90/83/396349083.db2.gz KJZXJAMYKVFVDY-ZDUSSCGKSA-N 1 2 315.377 0.561 10 0 DCAELO Cn1nnc2ccc(C(=O)NC[C@H]3C[N@H+](C4CC4)CCO3)cc21 ZINC000186384504 396349085 /nfs/dbraw/zinc/34/90/85/396349085.db2.gz KJZXJAMYKVFVDY-ZDUSSCGKSA-N 1 2 315.377 0.561 10 0 DCAELO Cc1noc(C)c1CCNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000285607295 396351326 /nfs/dbraw/zinc/35/13/26/396351326.db2.gz XWMDHFGHJKXXKP-CABCVRRESA-N 1 2 322.409 0.948 10 0 DCAELO Cc1noc(C)c1CCNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000285607295 396351330 /nfs/dbraw/zinc/35/13/30/396351330.db2.gz XWMDHFGHJKXXKP-CABCVRRESA-N 1 2 322.409 0.948 10 0 DCAELO CS(=O)(=O)CC1(CC(=O)N2CC[NH+]3CCC2CC3)CC1 ZINC000188609004 396383747 /nfs/dbraw/zinc/38/37/47/396383747.db2.gz HOHWZNLFTNCLFZ-UHFFFAOYSA-N 1 2 300.424 0.508 10 0 DCAELO C[C@H]1CN(C(=O)CSCc2cccnc2)CC[N@@H+]1CCO ZINC000188807728 396386354 /nfs/dbraw/zinc/38/63/54/396386354.db2.gz CXKWXDLRYAOJAT-ZDUSSCGKSA-N 1 2 309.435 0.840 10 0 DCAELO C[C@H]1CN(C(=O)CSCc2cccnc2)CC[N@H+]1CCO ZINC000188807728 396386357 /nfs/dbraw/zinc/38/63/57/396386357.db2.gz CXKWXDLRYAOJAT-ZDUSSCGKSA-N 1 2 309.435 0.840 10 0 DCAELO COCCN1CCCN(C(=O)[C@@H]2CCCn3cc[nH+]c32)CC1=O ZINC000189059362 396390715 /nfs/dbraw/zinc/39/07/15/396390715.db2.gz BJJHYFXNPDPURY-CYBMUJFWSA-N 1 2 320.393 0.468 10 0 DCAELO COCc1ccc(CNC(=O)C[N@@H+]2CCCNC(=O)[C@H]2C)cc1 ZINC000189306682 396393559 /nfs/dbraw/zinc/39/35/59/396393559.db2.gz FSKWCSWZJXAQIS-CYBMUJFWSA-N 1 2 319.405 0.660 10 0 DCAELO COCc1ccc(CNC(=O)C[N@H+]2CCCNC(=O)[C@H]2C)cc1 ZINC000189306682 396393563 /nfs/dbraw/zinc/39/35/63/396393563.db2.gz FSKWCSWZJXAQIS-CYBMUJFWSA-N 1 2 319.405 0.660 10 0 DCAELO CN1C(=O)C[C@@H]([NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)C1=O ZINC000189381728 396394326 /nfs/dbraw/zinc/39/43/26/396394326.db2.gz HCYHJMYPOVVFNN-GFCCVEGCSA-N 1 2 303.366 0.166 10 0 DCAELO OCc1cc2ccccc2nc1NC[C@H](O)C[NH+]1CCOCC1 ZINC000269353439 396409428 /nfs/dbraw/zinc/40/94/28/396409428.db2.gz KHRWRKIDHUSLLN-HNNXBMFYSA-N 1 2 317.389 0.832 10 0 DCAELO CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCCN(CCOC)C(=O)C1 ZINC000190772391 396410876 /nfs/dbraw/zinc/41/08/76/396410876.db2.gz MFXBXYGEPCIVOQ-KBPBESRZSA-N 1 2 313.442 0.860 10 0 DCAELO CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCCN(CCOC)C(=O)C1 ZINC000190772391 396410878 /nfs/dbraw/zinc/41/08/78/396410878.db2.gz MFXBXYGEPCIVOQ-KBPBESRZSA-N 1 2 313.442 0.860 10 0 DCAELO O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@H]1CCCc2c(O)cccc21 ZINC000190800001 396411611 /nfs/dbraw/zinc/41/16/11/396411611.db2.gz VZWOAYPPFFDCMB-BBRMVZONSA-N 1 2 315.417 0.928 10 0 DCAELO Cc1noc([C@H](C)N2CC[NH+](CC(=O)NC(C)(C)C)CC2)n1 ZINC000193019125 396442366 /nfs/dbraw/zinc/44/23/66/396442366.db2.gz GAFDOOILGCFIGS-NSHDSACASA-N 1 2 309.414 0.971 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1CC(=O)N(C)C1)C2 ZINC000372465881 396519666 /nfs/dbraw/zinc/51/96/66/396519666.db2.gz SKAYIPNLZGJGBY-MNOVXSKESA-N 1 2 304.394 0.985 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1CC(=O)N(C)C1)CC2 ZINC000372465881 396519667 /nfs/dbraw/zinc/51/96/67/396519667.db2.gz SKAYIPNLZGJGBY-MNOVXSKESA-N 1 2 304.394 0.985 10 0 DCAELO CC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000561010411 396628276 /nfs/dbraw/zinc/62/82/76/396628276.db2.gz LSIKYWMTQBRFCL-LLVKDONJSA-N 1 2 315.333 0.010 10 0 DCAELO COC[C@@H](NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)C1CC1 ZINC000561014941 396628470 /nfs/dbraw/zinc/62/84/70/396628470.db2.gz APWLRMYQXIIVKX-GFCCVEGCSA-N 1 2 302.334 0.814 10 0 DCAELO CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)Cc1cnn2c1CCCC2 ZINC000633916125 396743281 /nfs/dbraw/zinc/74/32/81/396743281.db2.gz OYRIFBIZYDKIQT-AWEZNQCLSA-N 1 2 306.410 0.551 10 0 DCAELO CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)Cc1cnn2c1CCCC2 ZINC000633916125 396743285 /nfs/dbraw/zinc/74/32/85/396743285.db2.gz OYRIFBIZYDKIQT-AWEZNQCLSA-N 1 2 306.410 0.551 10 0 DCAELO C[C@@H]1C[C@H](C)CN(S(=O)(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000376714459 396967209 /nfs/dbraw/zinc/96/72/09/396967209.db2.gz BRBNGOYFVDMWLM-XQQFMLRXSA-N 1 2 305.444 0.129 10 0 DCAELO C[C@@H]1C[C@H](C)CN(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000376714459 396967212 /nfs/dbraw/zinc/96/72/12/396967212.db2.gz BRBNGOYFVDMWLM-XQQFMLRXSA-N 1 2 305.444 0.129 10 0 DCAELO Cc1ccc(C(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)c(=O)[nH]1 ZINC000408395551 397355722 /nfs/dbraw/zinc/35/57/22/397355722.db2.gz QWPDSZYYLTYYLF-ZDUSSCGKSA-N 1 2 315.377 0.958 10 0 DCAELO CCS(=O)(=O)NCC[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000369557357 397442607 /nfs/dbraw/zinc/44/26/07/397442607.db2.gz VANQHDSJVUZESD-ZDUSSCGKSA-N 1 2 306.428 0.196 10 0 DCAELO CCS(=O)(=O)NCC[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000369557357 397442612 /nfs/dbraw/zinc/44/26/12/397442612.db2.gz VANQHDSJVUZESD-ZDUSSCGKSA-N 1 2 306.428 0.196 10 0 DCAELO CC(=O)NCC[N@@H+](C)CC(=O)Nc1cccc(NC(C)=O)c1 ZINC000579939891 397598383 /nfs/dbraw/zinc/59/83/83/397598383.db2.gz AFWIUBVOJOUOKC-UHFFFAOYSA-N 1 2 306.366 0.651 10 0 DCAELO CC(=O)NCC[N@H+](C)CC(=O)Nc1cccc(NC(C)=O)c1 ZINC000579939891 397598386 /nfs/dbraw/zinc/59/83/86/397598386.db2.gz AFWIUBVOJOUOKC-UHFFFAOYSA-N 1 2 306.366 0.651 10 0 DCAELO Cn1cc[nH+]c1C[C@H](NC(=O)CS(C)(=O)=O)c1ccccc1 ZINC000608207052 397720499 /nfs/dbraw/zinc/72/04/99/397720499.db2.gz ANDPFSLPVMNAHG-ZDUSSCGKSA-N 1 2 321.402 0.865 10 0 DCAELO CN(C(=O)Nc1ccc2[nH+]ccn2c1)[C@H]1CCS(=O)(=O)C1 ZINC000606580692 397683903 /nfs/dbraw/zinc/68/39/03/397683903.db2.gz ANXHEGQLCMTPGP-NSHDSACASA-N 1 2 308.363 0.985 10 0 DCAELO CCCCNC(=O)[C@H](C)[NH+]1CCN(c2nccc(OC)n2)CC1 ZINC000064248363 158033309 /nfs/dbraw/zinc/03/33/09/158033309.db2.gz LNKICKCIAMKEAY-ZDUSSCGKSA-N 1 2 321.425 0.912 10 0 DCAELO CCS(=O)(=O)CCNC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000069691269 158044810 /nfs/dbraw/zinc/04/48/10/158044810.db2.gz WPYRTBHYSNEYFT-UHFFFAOYSA-N 1 2 303.428 0.301 10 0 DCAELO CCS(=O)(=O)CCNC(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000069691269 158044811 /nfs/dbraw/zinc/04/48/11/158044811.db2.gz WPYRTBHYSNEYFT-UHFFFAOYSA-N 1 2 303.428 0.301 10 0 DCAELO COC(=O)C1CCN(C(=O)[C@H](C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000078605305 158073945 /nfs/dbraw/zinc/07/39/45/158073945.db2.gz UJRPUHNGVGDXGQ-UPJWGTAASA-N 1 2 312.410 0.896 10 0 DCAELO C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CC[NH+](CCO)CC1 ZINC000078762216 158074119 /nfs/dbraw/zinc/07/41/19/158074119.db2.gz JAOJOAWMGKCPIK-ZDUSSCGKSA-N 1 2 320.393 0.333 10 0 DCAELO Cc1noc(CCCC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)n1 ZINC000114854638 158157653 /nfs/dbraw/zinc/15/76/53/158157653.db2.gz CFGLVVMEGIIOSM-ZDUSSCGKSA-N 1 2 308.382 0.680 10 0 DCAELO Cc1noc(CCCC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)n1 ZINC000114854638 158157655 /nfs/dbraw/zinc/15/76/55/158157655.db2.gz CFGLVVMEGIIOSM-ZDUSSCGKSA-N 1 2 308.382 0.680 10 0 DCAELO O=C(CCCNC(=O)C1CC1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000114856019 158157708 /nfs/dbraw/zinc/15/77/08/158157708.db2.gz DQYCHRGDFZRTFA-CQSZACIVSA-N 1 2 309.410 0.272 10 0 DCAELO O=C(CCCNC(=O)C1CC1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000114856019 158157709 /nfs/dbraw/zinc/15/77/09/158157709.db2.gz DQYCHRGDFZRTFA-CQSZACIVSA-N 1 2 309.410 0.272 10 0 DCAELO CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116891554 158168595 /nfs/dbraw/zinc/16/85/95/158168595.db2.gz MGLXXLFFISMYOK-SRVKXCTJSA-N 1 2 305.444 0.303 10 0 DCAELO CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116891554 158168598 /nfs/dbraw/zinc/16/85/98/158168598.db2.gz MGLXXLFFISMYOK-SRVKXCTJSA-N 1 2 305.444 0.303 10 0 DCAELO CCS(=O)(=O)CC[N@@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000118397911 158178303 /nfs/dbraw/zinc/17/83/03/158178303.db2.gz AKKPXSOZFMJPDL-UHFFFAOYSA-N 1 2 312.439 0.732 10 0 DCAELO CCS(=O)(=O)CC[N@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000118397911 158178304 /nfs/dbraw/zinc/17/83/04/158178304.db2.gz AKKPXSOZFMJPDL-UHFFFAOYSA-N 1 2 312.439 0.732 10 0 DCAELO C[C@@H](CNC(=O)NCc1ccc(C(N)=O)cc1)[NH+]1CCOCC1 ZINC000121955312 158216717 /nfs/dbraw/zinc/21/67/17/158216717.db2.gz KRBOYHMKICJGQY-LBPRGKRZSA-N 1 2 320.393 0.305 10 0 DCAELO CN(C)c1[nH+]cccc1CNC(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000123060566 158226050 /nfs/dbraw/zinc/22/60/50/158226050.db2.gz VVZYWDZGLTWWBB-GFCCVEGCSA-N 1 2 305.382 0.568 10 0 DCAELO CN(C)c1[nH+]cccc1CNC(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000123643768 158232681 /nfs/dbraw/zinc/23/26/81/158232681.db2.gz XCTHAGTWMKOOBS-LBPRGKRZSA-N 1 2 318.381 0.067 10 0 DCAELO O=C(NOCc1cccnc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000126843854 158269145 /nfs/dbraw/zinc/26/91/45/158269145.db2.gz CZPGKPUILMYGPG-AWEZNQCLSA-N 1 2 306.366 0.629 10 0 DCAELO O=C(CNC(=O)c1cccs1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000127540470 158274607 /nfs/dbraw/zinc/27/46/07/158274607.db2.gz CJCDLKGXXGNUPZ-GFCCVEGCSA-N 1 2 323.418 0.457 10 0 DCAELO O=C(CNC(=O)c1cccs1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000127540470 158274609 /nfs/dbraw/zinc/27/46/09/158274609.db2.gz CJCDLKGXXGNUPZ-GFCCVEGCSA-N 1 2 323.418 0.457 10 0 DCAELO CCn1cc(C(=O)C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cn1 ZINC000134812587 158331272 /nfs/dbraw/zinc/33/12/72/158331272.db2.gz WEYACYFRDIWVOD-ZDUSSCGKSA-N 1 2 306.366 0.065 10 0 DCAELO CCn1cc(C(=O)C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cn1 ZINC000134812587 158331273 /nfs/dbraw/zinc/33/12/73/158331273.db2.gz WEYACYFRDIWVOD-ZDUSSCGKSA-N 1 2 306.366 0.065 10 0 DCAELO CC[C@@H](C(=O)OC)[NH+]1CCN(c2cc(C)nc3ncnn32)CC1 ZINC000171627905 158384727 /nfs/dbraw/zinc/38/47/27/158384727.db2.gz CGRDITDYHKJQDD-LBPRGKRZSA-N 1 2 318.381 0.506 10 0 DCAELO CC(=O)NC[C@H]1C[N@H+](C[C@@H](O)COCc2ccccc2)CCO1 ZINC000172239116 158391845 /nfs/dbraw/zinc/39/18/45/158391845.db2.gz HNSHIYDMMHIORF-SJORKVTESA-N 1 2 322.405 0.401 10 0 DCAELO CC(=O)NC[C@H]1C[N@@H+](C[C@@H](O)COCc2ccccc2)CCO1 ZINC000172239116 158391850 /nfs/dbraw/zinc/39/18/50/158391850.db2.gz HNSHIYDMMHIORF-SJORKVTESA-N 1 2 322.405 0.401 10 0 DCAELO CC(=O)NC[C@@H]1C[N@H+](C[C@@H](O)COCc2ccccc2)CCO1 ZINC000172239112 158392473 /nfs/dbraw/zinc/39/24/73/158392473.db2.gz HNSHIYDMMHIORF-IAGOWNOFSA-N 1 2 322.405 0.401 10 0 DCAELO CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)COCc2ccccc2)CCO1 ZINC000172239112 158392476 /nfs/dbraw/zinc/39/24/76/158392476.db2.gz HNSHIYDMMHIORF-IAGOWNOFSA-N 1 2 322.405 0.401 10 0 DCAELO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)[C@@H]1Cc2ccccc2O1 ZINC000172354114 158394197 /nfs/dbraw/zinc/39/41/97/158394197.db2.gz OHRKPPYYSWTHMD-HOCLYGCPSA-N 1 2 302.374 0.970 10 0 DCAELO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)[C@@H]1Cc2ccccc2O1 ZINC000172354114 158394198 /nfs/dbraw/zinc/39/41/98/158394198.db2.gz OHRKPPYYSWTHMD-HOCLYGCPSA-N 1 2 302.374 0.970 10 0 DCAELO O=C(CCOC[C@H]1CCCO1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172753574 158398731 /nfs/dbraw/zinc/39/87/31/158398731.db2.gz BXTJLGQVCJBOPD-HUUCEWRRSA-N 1 2 312.410 0.505 10 0 DCAELO O=C(COC[C@H]1CCOC1)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000328662406 159018391 /nfs/dbraw/zinc/01/83/91/159018391.db2.gz XINHQMOCGUZEGG-DZGCQCFKSA-N 1 2 305.378 0.608 10 0 DCAELO CCn1c(C)nnc1CN1CCN(Cc2[nH+]ccn2C)CC1 ZINC000328685506 159021533 /nfs/dbraw/zinc/02/15/33/159021533.db2.gz XLYYVULBPMYNDP-UHFFFAOYSA-N 1 2 303.414 0.658 10 0 DCAELO c1cn(C2CN(c3cc(N4CCSCC4)[nH+]cn3)C2)nn1 ZINC000328718201 159024289 /nfs/dbraw/zinc/02/42/89/159024289.db2.gz UXUXPHSTDWZXCL-UHFFFAOYSA-N 1 2 303.395 0.683 10 0 DCAELO c1cn(C2CN(c3cc(N4CCSCC4)nc[nH+]3)C2)nn1 ZINC000328718201 159024290 /nfs/dbraw/zinc/02/42/90/159024290.db2.gz UXUXPHSTDWZXCL-UHFFFAOYSA-N 1 2 303.395 0.683 10 0 DCAELO CC[C@H](C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1)N1CCCC1=O ZINC000328874487 159037355 /nfs/dbraw/zinc/03/73/55/159037355.db2.gz JLISTNGKJJABKS-RDBSUJKOSA-N 1 2 309.410 0.319 10 0 DCAELO CC[C@H](C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1)N1CCCC1=O ZINC000328874487 159037356 /nfs/dbraw/zinc/03/73/56/159037356.db2.gz JLISTNGKJJABKS-RDBSUJKOSA-N 1 2 309.410 0.319 10 0 DCAELO CCN(CC1CC1)S(=O)(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000328891286 159037595 /nfs/dbraw/zinc/03/75/95/159037595.db2.gz SFXFCUFORNGGPJ-ZIAGYGMSSA-N 1 2 317.455 0.368 10 0 DCAELO CCN(CC1CC1)S(=O)(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000328891286 159037597 /nfs/dbraw/zinc/03/75/97/159037597.db2.gz SFXFCUFORNGGPJ-ZIAGYGMSSA-N 1 2 317.455 0.368 10 0 DCAELO Cc1nn(C)c(C)c1CCC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000328902330 159038640 /nfs/dbraw/zinc/03/86/40/159038640.db2.gz GMIFDRURNZNTRI-HZPDHXFCSA-N 1 2 320.437 0.901 10 0 DCAELO Cc1nn(C)c(C)c1CCC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000328902330 159038642 /nfs/dbraw/zinc/03/86/42/159038642.db2.gz GMIFDRURNZNTRI-HZPDHXFCSA-N 1 2 320.437 0.901 10 0 DCAELO CC(=O)N1CCC[C@H](C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)C1 ZINC000328903372 159039285 /nfs/dbraw/zinc/03/92/85/159039285.db2.gz HUQUFXKFMJYFNE-KKUMJFAQSA-N 1 2 309.410 0.176 10 0 DCAELO CC(=O)N1CCC[C@H](C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)C1 ZINC000328903372 159039286 /nfs/dbraw/zinc/03/92/86/159039286.db2.gz HUQUFXKFMJYFNE-KKUMJFAQSA-N 1 2 309.410 0.176 10 0 DCAELO CCc1cc(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)cc(=O)[nH]1 ZINC000328905140 159040073 /nfs/dbraw/zinc/04/00/73/159040073.db2.gz JWDKSDLEOOKJLN-UONOGXRCSA-N 1 2 305.378 0.895 10 0 DCAELO CCc1cc(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)cc(=O)[nH]1 ZINC000328905140 159040074 /nfs/dbraw/zinc/04/00/74/159040074.db2.gz JWDKSDLEOOKJLN-UONOGXRCSA-N 1 2 305.378 0.895 10 0 DCAELO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC000328916646 159040798 /nfs/dbraw/zinc/04/07/98/159040798.db2.gz AOCMVQZAEWFXPB-FRRDWIJNSA-N 1 2 302.440 0.752 10 0 DCAELO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC000328916646 159040799 /nfs/dbraw/zinc/04/07/99/159040799.db2.gz AOCMVQZAEWFXPB-FRRDWIJNSA-N 1 2 302.440 0.752 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3c[nH]nc3[C@H]3CCOC3)C[C@H]21 ZINC000328945777 159045238 /nfs/dbraw/zinc/04/52/38/159045238.db2.gz JTQLROVUVVOPIA-IACUBPJLSA-N 1 2 320.393 0.459 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3c[nH]nc3[C@H]3CCOC3)C[C@H]21 ZINC000328945777 159045239 /nfs/dbraw/zinc/04/52/39/159045239.db2.gz JTQLROVUVVOPIA-IACUBPJLSA-N 1 2 320.393 0.459 10 0 DCAELO Cc1nn(C)c(C)c1[C@@H]1COCC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC000329150768 159067507 /nfs/dbraw/zinc/06/75/07/159067507.db2.gz RWEKUFXJOATJGM-CABCVRRESA-N 1 2 319.409 0.668 10 0 DCAELO Cc1nn(C)c(C)c1[C@@H]1COCC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC000329150768 159067509 /nfs/dbraw/zinc/06/75/09/159067509.db2.gz RWEKUFXJOATJGM-CABCVRRESA-N 1 2 319.409 0.668 10 0 DCAELO CCn1cc([C@@H]2CS(=O)(=O)CCN2Cc2[nH+]ccn2C)cn1 ZINC000329470742 159095499 /nfs/dbraw/zinc/09/54/99/159095499.db2.gz YKFWGIZDWUIARJ-ZDUSSCGKSA-N 1 2 323.422 0.608 10 0 DCAELO CC[C@H]1CN(C(=O)c2nnn(C)c2C)C[C@@H]1[NH+]1CCOCC1 ZINC000329746659 159116502 /nfs/dbraw/zinc/11/65/02/159116502.db2.gz RYLFPCVQBLGIRA-STQMWFEESA-N 1 2 307.398 0.306 10 0 DCAELO Cn1c(=O)[nH]cc(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)c1=O ZINC000329916988 159128704 /nfs/dbraw/zinc/12/87/04/159128704.db2.gz ZDBPNQTXNHPUFG-NSHDSACASA-N 1 2 316.317 0.174 10 0 DCAELO Cn1nncc1S(=O)(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000330135911 159144747 /nfs/dbraw/zinc/14/47/47/159144747.db2.gz HJHPCLCNSWCUNY-NSHDSACASA-N 1 2 309.351 0.052 10 0 DCAELO C[C@@H]1CCCN(C(=O)C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)C1 ZINC000367083968 159312667 /nfs/dbraw/zinc/31/26/67/159312667.db2.gz KCMUQPZIXIHBOV-HIFRSBDPSA-N 1 2 316.405 0.813 10 0 DCAELO O=C(C[N@@H+]1CCN2CCOC[C@H]2C1)NCc1ccc(F)cc1 ZINC000368330989 159387825 /nfs/dbraw/zinc/38/78/25/159387825.db2.gz YWXDEWGYCJGMPV-OAHLLOKOSA-N 1 2 307.369 0.458 10 0 DCAELO O=C(C[N@H+]1CCN2CCOC[C@H]2C1)NCc1ccc(F)cc1 ZINC000368330989 159387826 /nfs/dbraw/zinc/38/78/26/159387826.db2.gz YWXDEWGYCJGMPV-OAHLLOKOSA-N 1 2 307.369 0.458 10 0 DCAELO C[C@H](C(=O)N1CCC[C@@H]1[C@H](O)C(F)(F)F)[NH+]1CCOCC1 ZINC000408011612 160010660 /nfs/dbraw/zinc/01/06/60/160010660.db2.gz YUBFIRWHBCGBOT-MXWKQRLJSA-N 1 2 310.316 0.621 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCC(=O)NC(C)(C)C)C[C@H]21 ZINC000408016052 160012102 /nfs/dbraw/zinc/01/21/02/160012102.db2.gz HIHBBNGYAIKJIO-VXGBXAGGSA-N 1 2 312.414 0.016 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCC(=O)NC(C)(C)C)C[C@H]21 ZINC000408016052 160012103 /nfs/dbraw/zinc/01/21/03/160012103.db2.gz HIHBBNGYAIKJIO-VXGBXAGGSA-N 1 2 312.414 0.016 10 0 DCAELO C[C@H](C(=O)N1CCN(C(=O)C2CC2)CC1(C)C)[NH+]1CCOCC1 ZINC000408119945 160040209 /nfs/dbraw/zinc/04/02/09/160040209.db2.gz BCLAZTZFYOASGD-CYBMUJFWSA-N 1 2 323.437 0.567 10 0 DCAELO COc1nc(C)ccc1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000408126488 160042713 /nfs/dbraw/zinc/04/27/13/160042713.db2.gz PDGNZEHZUGWTNF-CYBMUJFWSA-N 1 2 305.378 0.945 10 0 DCAELO CC(=O)N1CCC[C@H]1C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000408151671 160048305 /nfs/dbraw/zinc/04/83/05/160048305.db2.gz RPJPZPAIZLVEPB-ZDUSSCGKSA-N 1 2 305.382 0.065 10 0 DCAELO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)[C@H]2CCO[C@@H](C)C2)CC1 ZINC000408191591 160056784 /nfs/dbraw/zinc/05/67/84/160056784.db2.gz HAKSGZDLCSJTCV-IHRRRGAJSA-N 1 2 320.455 0.272 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)NC2CCCC2)C[C@H]1C ZINC000408208343 160060923 /nfs/dbraw/zinc/06/09/23/160060923.db2.gz VZUVMXLWYAQMPB-NEPJUHHUSA-N 1 2 305.444 0.150 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)NC2CCCC2)C[C@H]1C ZINC000408208343 160060927 /nfs/dbraw/zinc/06/09/27/160060927.db2.gz VZUVMXLWYAQMPB-NEPJUHHUSA-N 1 2 305.444 0.150 10 0 DCAELO CC1(C)[C@H](O)CCN1C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000408240377 160067148 /nfs/dbraw/zinc/06/71/48/160067148.db2.gz MKJTYRPLEKRIJJ-CQSZACIVSA-N 1 2 318.421 0.575 10 0 DCAELO CSc1c(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cnn1C ZINC000408329388 160086269 /nfs/dbraw/zinc/08/62/69/160086269.db2.gz MNVIJTJKNGJHPV-LLVKDONJSA-N 1 2 310.423 0.689 10 0 DCAELO CC(=O)N[C@@H](C)C1CCN(c2nc3c(cnn3C)c(N)[nH+]2)CC1 ZINC000408403110 160101146 /nfs/dbraw/zinc/10/11/46/160101146.db2.gz CPIWZPAWRHXFQC-VIFPVBQESA-N 1 2 317.397 0.687 10 0 DCAELO Cc1oc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)cc1S(N)(=O)=O ZINC000408445892 160109073 /nfs/dbraw/zinc/10/90/73/160109073.db2.gz CZVYEXRVJOBABA-QMMMGPOBSA-N 1 2 301.368 0.012 10 0 DCAELO Cc1oc(C(=O)N2CC[N@H+](C)C[C@@H]2C)cc1S(N)(=O)=O ZINC000408445892 160109076 /nfs/dbraw/zinc/10/90/76/160109076.db2.gz CZVYEXRVJOBABA-QMMMGPOBSA-N 1 2 301.368 0.012 10 0 DCAELO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CC(=O)N(C2CC2)C1 ZINC000408473934 160116555 /nfs/dbraw/zinc/11/65/55/160116555.db2.gz UDCIXDKVJCMSFV-TZMCWYRMSA-N 1 2 314.389 0.945 10 0 DCAELO COCCCCS(=O)(=O)NCc1ccc[nH+]c1N(C)C ZINC000136112957 287025441 /nfs/dbraw/zinc/02/54/41/287025441.db2.gz YDCWFSCEKQIOCC-UHFFFAOYSA-N 1 2 301.412 0.994 10 0 DCAELO CC(C)[NH+]1CCN(S(=O)(=O)N2C[C@H](C)OC[C@@H]2C)CC1 ZINC000246085943 287076483 /nfs/dbraw/zinc/07/64/83/287076483.db2.gz GGFYVNORYQRIBI-STQMWFEESA-N 1 2 305.444 0.366 10 0 DCAELO C[C@H](C(=O)NC1CCCC1)[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247047526 287090628 /nfs/dbraw/zinc/09/06/28/287090628.db2.gz JHUJBAWSBUCSEY-ZYHUDNBSSA-N 1 2 303.428 0.057 10 0 DCAELO C[C@H](C(=O)NC1CCCC1)[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247047526 287090630 /nfs/dbraw/zinc/09/06/30/287090630.db2.gz JHUJBAWSBUCSEY-ZYHUDNBSSA-N 1 2 303.428 0.057 10 0 DCAELO COCCCCS(=O)(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000248653833 287099164 /nfs/dbraw/zinc/09/91/64/287099164.db2.gz CFMIANCCADUNKN-STQMWFEESA-N 1 2 308.444 0.130 10 0 DCAELO COCCCCS(=O)(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000248653833 287099165 /nfs/dbraw/zinc/09/91/65/287099165.db2.gz CFMIANCCADUNKN-STQMWFEESA-N 1 2 308.444 0.130 10 0 DCAELO CCOCC[N@@H+]1CCN(S(=O)(=O)[C@@H]2CCO[C@H]2C)C[C@@H]1C ZINC000248926995 287103530 /nfs/dbraw/zinc/10/35/30/287103530.db2.gz LSCYELVEJSZPHS-MELADBBJSA-N 1 2 320.455 0.536 10 0 DCAELO CCOCC[N@H+]1CCN(S(=O)(=O)[C@@H]2CCO[C@H]2C)C[C@@H]1C ZINC000248926995 287103533 /nfs/dbraw/zinc/10/35/33/287103533.db2.gz LSCYELVEJSZPHS-MELADBBJSA-N 1 2 320.455 0.536 10 0 DCAELO CCOCC[N@@H+]1CCN(S(=O)(=O)[C@@H]2CCO[C@@H]2C)C[C@H]1C ZINC000248926997 287103648 /nfs/dbraw/zinc/10/36/48/287103648.db2.gz LSCYELVEJSZPHS-MGPQQGTHSA-N 1 2 320.455 0.536 10 0 DCAELO CCOCC[N@H+]1CCN(S(=O)(=O)[C@@H]2CCO[C@@H]2C)C[C@H]1C ZINC000248926997 287103651 /nfs/dbraw/zinc/10/36/51/287103651.db2.gz LSCYELVEJSZPHS-MGPQQGTHSA-N 1 2 320.455 0.536 10 0 DCAELO COCC[N@@H+]1CCN(S(=O)(=O)N2CCC[C@@H]2C)C[C@@H]1C ZINC000248684614 287099912 /nfs/dbraw/zinc/09/99/12/287099912.db2.gz GTYNQERIYDWFTP-STQMWFEESA-N 1 2 305.444 0.368 10 0 DCAELO COCC[N@H+]1CCN(S(=O)(=O)N2CCC[C@@H]2C)C[C@@H]1C ZINC000248684614 287099915 /nfs/dbraw/zinc/09/99/15/287099915.db2.gz GTYNQERIYDWFTP-STQMWFEESA-N 1 2 305.444 0.368 10 0 DCAELO C[C@@H]1C[N@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C[C@H](CO)O1 ZINC000249439442 287110986 /nfs/dbraw/zinc/11/09/86/287110986.db2.gz SSLAUYGTPCSNPG-IJLUTSLNSA-N 1 2 324.343 0.869 10 0 DCAELO C[C@@H]1C[N@@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C[C@H](CO)O1 ZINC000249439442 287110988 /nfs/dbraw/zinc/11/09/88/287110988.db2.gz SSLAUYGTPCSNPG-IJLUTSLNSA-N 1 2 324.343 0.869 10 0 DCAELO C[C@H](C[S@](C)=O)NC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000248508954 298906949 /nfs/dbraw/zinc/90/69/49/298906949.db2.gz YMWLLWLHYYHZNX-WBSWQSFASA-N 1 2 317.455 0.116 10 0 DCAELO OCCO[C@@H]1CCCN(c2cc(N3CCC[C@H]3CO)nc[nH+]2)C1 ZINC000265260182 415126020 /nfs/dbraw/zinc/12/60/20/415126020.db2.gz YFOWVUIBYSNGHV-UONOGXRCSA-N 1 2 322.409 0.415 10 0 DCAELO OCCO[C@@H]1CCCN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)C1 ZINC000265260182 415126024 /nfs/dbraw/zinc/12/60/24/415126024.db2.gz YFOWVUIBYSNGHV-UONOGXRCSA-N 1 2 322.409 0.415 10 0 DCAELO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000268153504 415169223 /nfs/dbraw/zinc/16/92/23/415169223.db2.gz PGENRJFBZNWYAB-NSHDSACASA-N 1 2 314.411 0.490 10 0 DCAELO C[N@@H+](CC(N)=O)C[C@H]1CN(C/C=C/c2ccc(F)cc2)CCO1 ZINC000275820249 415379879 /nfs/dbraw/zinc/37/98/79/415379879.db2.gz UQRAXKPAWVGHKG-KZSQQDEKSA-N 1 2 321.396 0.957 10 0 DCAELO C[N@H+](CC(N)=O)C[C@H]1CN(C/C=C/c2ccc(F)cc2)CCO1 ZINC000275820249 415379888 /nfs/dbraw/zinc/37/98/88/415379888.db2.gz UQRAXKPAWVGHKG-KZSQQDEKSA-N 1 2 321.396 0.957 10 0 DCAELO CN(CC(N)=O)C[C@H]1C[N@H+](C/C=C/c2ccc(F)cc2)CCO1 ZINC000275820249 415379896 /nfs/dbraw/zinc/37/98/96/415379896.db2.gz UQRAXKPAWVGHKG-KZSQQDEKSA-N 1 2 321.396 0.957 10 0 DCAELO CN(CC(N)=O)C[C@H]1C[N@@H+](C/C=C/c2ccc(F)cc2)CCO1 ZINC000275820249 415379903 /nfs/dbraw/zinc/37/99/03/415379903.db2.gz UQRAXKPAWVGHKG-KZSQQDEKSA-N 1 2 321.396 0.957 10 0 DCAELO C[C@@H](CNC(=O)CCOC1CCOCC1)[NH+]1CCOCC1 ZINC000084581541 415495065 /nfs/dbraw/zinc/49/50/65/415495065.db2.gz HMNBGXBEEBNIGL-ZDUSSCGKSA-N 1 2 300.399 0.409 10 0 DCAELO CC(C)[N@H+](CC(N)=O)CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000076685098 415456714 /nfs/dbraw/zinc/45/67/14/415456714.db2.gz YMGDRYLYWMYLSF-JTQLQIEISA-N 1 2 309.332 0.983 10 0 DCAELO CC(C)[N@@H+](CC(N)=O)CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000076685098 415456722 /nfs/dbraw/zinc/45/67/22/415456722.db2.gz YMGDRYLYWMYLSF-JTQLQIEISA-N 1 2 309.332 0.983 10 0 DCAELO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC000333294331 415604059 /nfs/dbraw/zinc/60/40/59/415604059.db2.gz KZVDJLWIZNRDTL-GJZGRUSLSA-N 1 2 323.437 0.614 10 0 DCAELO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC000333294331 415604062 /nfs/dbraw/zinc/60/40/62/415604062.db2.gz KZVDJLWIZNRDTL-GJZGRUSLSA-N 1 2 323.437 0.614 10 0 DCAELO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000106381961 415643999 /nfs/dbraw/zinc/64/39/99/415643999.db2.gz USWPAURNBLADGW-AWEZNQCLSA-N 1 2 319.471 0.496 10 0 DCAELO O=C(Nc1cccc(-n2cc[nH+]c2)c1)C(=O)N1CCC[C@@H]1CO ZINC000121134134 415793358 /nfs/dbraw/zinc/79/33/58/415793358.db2.gz PQKOMOQXBYHCJA-CQSZACIVSA-N 1 2 314.345 0.794 10 0 DCAELO Cc1nc(CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)no1 ZINC000121503343 415805122 /nfs/dbraw/zinc/80/51/22/415805122.db2.gz OIAUSQBBVOBIGW-LLVKDONJSA-N 1 2 302.338 0.851 10 0 DCAELO CC(=O)N1CC[N@H+](CCn2nc3ccccn3c2=O)[C@H](C)C1 ZINC000357295990 416059120 /nfs/dbraw/zinc/05/91/20/416059120.db2.gz DHQNKIFMAJAIMG-GFCCVEGCSA-N 1 2 303.366 0.049 10 0 DCAELO CC(=O)N1CC[N@@H+](CCn2nc3ccccn3c2=O)[C@H](C)C1 ZINC000357295990 416059126 /nfs/dbraw/zinc/05/91/26/416059126.db2.gz DHQNKIFMAJAIMG-GFCCVEGCSA-N 1 2 303.366 0.049 10 0 DCAELO COC(=O)C1CC[NH+]([C@@H]2CCN(c3cc(C)nn3C)C2=O)CC1 ZINC000173496901 416060690 /nfs/dbraw/zinc/06/06/90/416060690.db2.gz CCXNREWBGQDDMN-CYBMUJFWSA-N 1 2 320.393 0.719 10 0 DCAELO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1(S(C)(=O)=O)CCC1 ZINC000357340426 416064550 /nfs/dbraw/zinc/06/45/50/416064550.db2.gz ZPSIHBNTJHHMHX-GFCCVEGCSA-N 1 2 302.440 0.944 10 0 DCAELO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1(S(C)(=O)=O)CCC1 ZINC000357340426 416064552 /nfs/dbraw/zinc/06/45/52/416064552.db2.gz ZPSIHBNTJHHMHX-GFCCVEGCSA-N 1 2 302.440 0.944 10 0 DCAELO O=C(NCCCn1cc[nH+]c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000173780470 416065361 /nfs/dbraw/zinc/06/53/61/416065361.db2.gz VUEZCRLSMNFHQM-CQSZACIVSA-N 1 2 307.398 0.389 10 0 DCAELO C[C@@H](CN1CCCC1=O)NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173892083 416067465 /nfs/dbraw/zinc/06/74/65/416067465.db2.gz WRXYQZHKGWBWNR-KBPBESRZSA-N 1 2 324.425 0.113 10 0 DCAELO C[C@@H](O)CC(C)(C)CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173912979 416068579 /nfs/dbraw/zinc/06/85/79/416068579.db2.gz XDLVGLOORGXBPN-KGLIPLIRSA-N 1 2 313.442 0.900 10 0 DCAELO Cn1c(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)nnc1C1CC1 ZINC000174015890 416072583 /nfs/dbraw/zinc/07/25/83/416072583.db2.gz ZDZLKQSNYNJGKB-CQSZACIVSA-N 1 2 305.426 0.989 10 0 DCAELO Cn1c(C[N@H+]2CCC[C@@H]2CN2CCOCC2)nnc1C1CC1 ZINC000174015890 416072586 /nfs/dbraw/zinc/07/25/86/416072586.db2.gz ZDZLKQSNYNJGKB-CQSZACIVSA-N 1 2 305.426 0.989 10 0 DCAELO COc1ccccc1C[NH+]1CCN(C(=O)CC(=O)N(C)C)CC1 ZINC000174575847 416082000 /nfs/dbraw/zinc/08/20/00/416082000.db2.gz XGPJMQMPHUJCGI-UHFFFAOYSA-N 1 2 319.405 0.818 10 0 DCAELO O=C(NCCN1CCOCC1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000175601033 416110611 /nfs/dbraw/zinc/11/06/11/416110611.db2.gz ULPSJMOUESJHLZ-CQSZACIVSA-N 1 2 307.398 0.389 10 0 DCAELO CCN1CCN(C(=O)CN2CCCC2=O)C[C@@H]1c1[nH+]ccn1C ZINC000328616090 416123625 /nfs/dbraw/zinc/12/36/25/416123625.db2.gz BJBSZBIKTRECKT-CYBMUJFWSA-N 1 2 319.409 0.248 10 0 DCAELO C[C@@H]1C[N@H+](Cc2cc(=O)n3[nH]ccc3n2)C[C@@H]1N1CCOCC1 ZINC000177267440 416143529 /nfs/dbraw/zinc/14/35/29/416143529.db2.gz CGVJJUDUZYUURO-OCCSQVGLSA-N 1 2 317.393 0.175 10 0 DCAELO C[C@@H]1C[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)C[C@@H]1N1CCOCC1 ZINC000177267440 416143533 /nfs/dbraw/zinc/14/35/33/416143533.db2.gz CGVJJUDUZYUURO-OCCSQVGLSA-N 1 2 317.393 0.175 10 0 DCAELO O=C(CCOc1ccc(F)cc1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178660144 416168408 /nfs/dbraw/zinc/16/84/08/416168408.db2.gz LJMMCKGAFHMXNW-CQSZACIVSA-N 1 2 307.369 0.711 10 0 DCAELO CCOC(=O)NCC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000178634255 416168419 /nfs/dbraw/zinc/16/84/19/416168419.db2.gz GJYUJRIIBIDVOG-LBPRGKRZSA-N 1 2 308.382 0.947 10 0 DCAELO Cc1nc(C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c(C)s1 ZINC000178797641 416172691 /nfs/dbraw/zinc/17/26/91/416172691.db2.gz IAKBMFQOCNEQDO-AWEZNQCLSA-N 1 2 313.423 0.573 10 0 DCAELO CC(=O)N1CCC[C@@H](C(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)C1 ZINC000329604338 416180770 /nfs/dbraw/zinc/18/07/70/416180770.db2.gz YWBAJPPUCDWOJL-FVQBIDKESA-N 1 2 323.437 0.567 10 0 DCAELO COCC[N@@H+]1CCN(C(=O)c2cc(C(=O)OC)co2)C[C@@H]1C ZINC000183675507 416248241 /nfs/dbraw/zinc/24/82/41/416248241.db2.gz ZLAFHFSHPCQUDF-NSHDSACASA-N 1 2 310.350 0.859 10 0 DCAELO COCC[N@H+]1CCN(C(=O)c2cc(C(=O)OC)co2)C[C@@H]1C ZINC000183675507 416248243 /nfs/dbraw/zinc/24/82/43/416248243.db2.gz ZLAFHFSHPCQUDF-NSHDSACASA-N 1 2 310.350 0.859 10 0 DCAELO C[N@@H+](CC(N)=O)C[C@@H]1CN(C/C=C\c2ccccc2)CCO1 ZINC000341793565 416235142 /nfs/dbraw/zinc/23/51/42/416235142.db2.gz SSJBFFYXIHRKCQ-KQQSKNTNSA-N 1 2 303.406 0.818 10 0 DCAELO C[N@H+](CC(N)=O)C[C@@H]1CN(C/C=C\c2ccccc2)CCO1 ZINC000341793565 416235145 /nfs/dbraw/zinc/23/51/45/416235145.db2.gz SSJBFFYXIHRKCQ-KQQSKNTNSA-N 1 2 303.406 0.818 10 0 DCAELO CN(CC(N)=O)C[C@@H]1C[N@H+](C/C=C\c2ccccc2)CCO1 ZINC000341793565 416235148 /nfs/dbraw/zinc/23/51/48/416235148.db2.gz SSJBFFYXIHRKCQ-KQQSKNTNSA-N 1 2 303.406 0.818 10 0 DCAELO CN(CC(N)=O)C[C@@H]1C[N@@H+](C/C=C\c2ccccc2)CCO1 ZINC000341793565 416235151 /nfs/dbraw/zinc/23/51/51/416235151.db2.gz SSJBFFYXIHRKCQ-KQQSKNTNSA-N 1 2 303.406 0.818 10 0 DCAELO COc1ccccc1[C@H]1C[NH2+]CCN1S(=O)(=O)c1c[nH]cn1 ZINC000261743344 416335689 /nfs/dbraw/zinc/33/56/89/416335689.db2.gz PKABDFCBYLPGFQ-GFCCVEGCSA-N 1 2 322.390 0.754 10 0 DCAELO O=C(C[N@H+]1CC[C@](O)(c2cn[nH]n2)C1)N(C1CC1)C1CCCC1 ZINC000583618095 416479164 /nfs/dbraw/zinc/47/91/64/416479164.db2.gz CJVRKPZKQIANIP-MRXNPFEDSA-N 1 2 319.409 0.632 10 0 DCAELO O=C(C[N@@H+]1CC[C@](O)(c2cn[nH]n2)C1)N(C1CC1)C1CCCC1 ZINC000583618095 416479167 /nfs/dbraw/zinc/47/91/67/416479167.db2.gz CJVRKPZKQIANIP-MRXNPFEDSA-N 1 2 319.409 0.632 10 0 DCAELO O=C(C[N@H+]1CC[C@](O)(c2c[nH]nn2)C1)N(C1CC1)C1CCCC1 ZINC000583618095 416479171 /nfs/dbraw/zinc/47/91/71/416479171.db2.gz CJVRKPZKQIANIP-MRXNPFEDSA-N 1 2 319.409 0.632 10 0 DCAELO O=C(C[N@@H+]1CC[C@](O)(c2c[nH]nn2)C1)N(C1CC1)C1CCCC1 ZINC000583618095 416479175 /nfs/dbraw/zinc/47/91/75/416479175.db2.gz CJVRKPZKQIANIP-MRXNPFEDSA-N 1 2 319.409 0.632 10 0 DCAELO CCCN(C(=O)[C@H](C)[N@H+](C)CCCO)[C@H]1CCS(=O)(=O)C1 ZINC000440946985 416653793 /nfs/dbraw/zinc/65/37/93/416653793.db2.gz WWLGJWYMZRKGRX-STQMWFEESA-N 1 2 320.455 0.115 10 0 DCAELO CCCN(C(=O)[C@H](C)[N@@H+](C)CCCO)[C@H]1CCS(=O)(=O)C1 ZINC000440946985 416653796 /nfs/dbraw/zinc/65/37/96/416653796.db2.gz WWLGJWYMZRKGRX-STQMWFEESA-N 1 2 320.455 0.115 10 0 DCAELO O=S(=O)(CC[N@@H+]1CCN2CCOC[C@@H]2C1)Cc1ccccc1 ZINC000370043092 416871177 /nfs/dbraw/zinc/87/11/77/416871177.db2.gz NYUMHJZFIMDJRO-INIZCTEOSA-N 1 2 324.446 0.618 10 0 DCAELO O=S(=O)(CC[N@H+]1CCN2CCOC[C@@H]2C1)Cc1ccccc1 ZINC000370043092 416871183 /nfs/dbraw/zinc/87/11/83/416871183.db2.gz NYUMHJZFIMDJRO-INIZCTEOSA-N 1 2 324.446 0.618 10 0 DCAELO c1cn(-c2cc(N3CCN(c4nccnn4)CC3)ncn2)c[nH+]1 ZINC000624443545 417039632 /nfs/dbraw/zinc/03/96/32/417039632.db2.gz GRDPHLOSCHCMPV-UHFFFAOYSA-N 1 2 309.337 0.174 10 0 DCAELO Nc1cc([C@@H]2CN(S(N)(=O)=O)c3ccccc3N2)cc[nH+]1 ZINC000616679148 417093085 /nfs/dbraw/zinc/09/30/85/417093085.db2.gz CNGKFWFYCMRDQY-NSHDSACASA-N 1 2 305.363 0.841 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCOC[C@H]1C(N)=O)C2 ZINC000527252190 417230021 /nfs/dbraw/zinc/23/00/21/417230021.db2.gz OPNUBRZDUQRPCY-GWCFXTLKSA-N 1 2 320.393 0.351 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCOC[C@H]1C(N)=O)CC2 ZINC000527252190 417230027 /nfs/dbraw/zinc/23/00/27/417230027.db2.gz OPNUBRZDUQRPCY-GWCFXTLKSA-N 1 2 320.393 0.351 10 0 DCAELO CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000633602980 417462433 /nfs/dbraw/zinc/46/24/33/417462433.db2.gz RQZZYMATSPAMMS-OLZOCXBDSA-N 1 2 322.409 0.607 10 0 DCAELO O[C@@H]1C[N@H+](Cc2cncc(Br)c2)C[C@H]1n1ccnn1 ZINC000628506257 417627582 /nfs/dbraw/zinc/62/75/82/417627582.db2.gz ZOSGPKSMVOMPMO-VXGBXAGGSA-N 1 2 324.182 0.853 10 0 DCAELO O[C@@H]1C[N@@H+](Cc2cncc(Br)c2)C[C@H]1n1ccnn1 ZINC000628506257 417627587 /nfs/dbraw/zinc/62/75/87/417627587.db2.gz ZOSGPKSMVOMPMO-VXGBXAGGSA-N 1 2 324.182 0.853 10 0 DCAELO C[C@@H](C(N)=O)[NH+]1CCN(c2ccc(C(F)(F)F)nn2)CC1 ZINC000301960113 230006109 /nfs/dbraw/zinc/00/61/09/230006109.db2.gz MBPUVYFXKASMCI-QMMMGPOBSA-N 1 2 303.288 0.491 10 0 DCAELO COC(=O)[C@@H](C1CC1)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000359614147 271133350 /nfs/dbraw/zinc/13/33/50/271133350.db2.gz YIDAFHBZORNLIQ-OAHLLOKOSA-N 1 2 309.410 0.178 10 0 DCAELO CN(C)c1cnc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cn1 ZINC000408082020 276809421 /nfs/dbraw/zinc/80/94/21/276809421.db2.gz VGWWNNMOQQSFCI-LBPRGKRZSA-N 1 2 305.382 0.089 10 0 DCAELO CC(=O)N1CSC[C@H]1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000371510312 277015759 /nfs/dbraw/zinc/01/57/59/277015759.db2.gz LCWPZVVJNDMDGX-ZDUSSCGKSA-N 1 2 322.434 0.800 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3cc4ccccc4c(=O)o3)C[C@H]21 ZINC000407954215 277123095 /nfs/dbraw/zinc/12/30/95/277123095.db2.gz FSBGKXOEOGENJV-UKRRQHHQSA-N 1 2 314.341 0.948 10 0 DCAELO C[N@H+]1CCO[C@@H]2CN(C(=O)c3cc4ccccc4c(=O)o3)C[C@H]21 ZINC000407954215 277123096 /nfs/dbraw/zinc/12/30/96/277123096.db2.gz FSBGKXOEOGENJV-UKRRQHHQSA-N 1 2 314.341 0.948 10 0 DCAELO C[C@H]1CN(C(=O)c2cnn3ccncc23)C[C@@H]1[NH+]1CCOCC1 ZINC000330092106 278418968 /nfs/dbraw/zinc/41/89/68/278418968.db2.gz QMZRORHYWXINRG-WFASDCNBSA-N 1 2 315.377 0.522 10 0 DCAELO Cn1cc(OCC(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)cn1 ZINC000548885570 288184575 /nfs/dbraw/zinc/18/45/75/288184575.db2.gz QJEKMVCOAIMCJO-CQSZACIVSA-N 1 2 301.350 0.367 10 0 DCAELO CC(=O)N1CC[NH+](CCNC(=O)c2nc(C3CC3)oc2C)CC1 ZINC000552016984 288259370 /nfs/dbraw/zinc/25/93/70/288259370.db2.gz JEWBQNDNOJULRC-UHFFFAOYSA-N 1 2 320.393 0.754 10 0 DCAELO COC(=O)C1([NH2+]C[C@H](O)COC[C@@H]2CCCO2)CCCC1 ZINC000556759146 288391616 /nfs/dbraw/zinc/39/16/16/288391616.db2.gz GHIBIRLOAWIQCI-STQMWFEESA-N 1 2 301.383 0.618 10 0 DCAELO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)c2cccc(=O)[nH]2)C1 ZINC000283680026 290107046 /nfs/dbraw/zinc/10/70/46/290107046.db2.gz RYXVVSAMDRBGNG-ZDUSSCGKSA-N 1 2 305.378 0.970 10 0 DCAELO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)c2cccc(=O)[nH]2)C1 ZINC000283680026 290107048 /nfs/dbraw/zinc/10/70/48/290107048.db2.gz RYXVVSAMDRBGNG-ZDUSSCGKSA-N 1 2 305.378 0.970 10 0 DCAELO C[C@H]1C[N@H+](CCO)CCN1S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000333158580 300262340 /nfs/dbraw/zinc/26/23/40/300262340.db2.gz LNCPBEOMAVMEES-RFQIPJPRSA-N 1 2 302.440 0.503 10 0 DCAELO C[C@H]1C[N@@H+](CCO)CCN1S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000333158580 300262343 /nfs/dbraw/zinc/26/23/43/300262343.db2.gz LNCPBEOMAVMEES-RFQIPJPRSA-N 1 2 302.440 0.503 10 0 DCAELO COC(=O)Cn1ncc2c1nc[nH+]c2N1CC[C@H](C)[C@H](O)C1 ZINC000301956089 533831423 /nfs/dbraw/zinc/83/14/23/533831423.db2.gz LBGSIZVCHPICEG-GXSJLCMTSA-N 1 2 305.338 0.206 10 0 DCAELO CC(C)C(=O)NCCN(C)c1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000162064307 519490556 /nfs/dbraw/zinc/49/05/56/519490556.db2.gz PSRAHBKMDDGOCM-CYBMUJFWSA-N 1 2 321.425 0.646 10 0 DCAELO CC(C)C(=O)NCCN(C)c1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000162064307 519490563 /nfs/dbraw/zinc/49/05/63/519490563.db2.gz PSRAHBKMDDGOCM-CYBMUJFWSA-N 1 2 321.425 0.646 10 0 DCAELO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)CC1(CS(C)(=O)=O)CC1 ZINC000155557178 534441661 /nfs/dbraw/zinc/44/16/61/534441661.db2.gz KXRMDTTWYLTYOQ-TXEJJXNPSA-N 1 2 302.440 0.752 10 0 DCAELO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)CC1(CS(C)(=O)=O)CC1 ZINC000155557178 534441667 /nfs/dbraw/zinc/44/16/67/534441667.db2.gz KXRMDTTWYLTYOQ-TXEJJXNPSA-N 1 2 302.440 0.752 10 0 DCAELO COc1ccc2[nH]c(C(=O)NC[C@H]3C[NH+]4CCN3CC4)cc2c1 ZINC000189524243 525478190 /nfs/dbraw/zinc/47/81/90/525478190.db2.gz BPQSDCLHKBRPSZ-ZDUSSCGKSA-N 1 2 314.389 0.906 10 0 DCAELO O=C(NCc1ccccc1C[NH+]1CCOCC1)N1CC(CO)C1 ZINC000190550323 526745310 /nfs/dbraw/zinc/74/53/10/526745310.db2.gz LKLZHUNRHGTGBX-UHFFFAOYSA-N 1 2 319.405 0.653 10 0 DCAELO CC(C)(C)c1noc(CCC(=O)NC[C@@H]2C[NH+]3CCN2CC3)n1 ZINC000178730767 526900623 /nfs/dbraw/zinc/90/06/23/526900623.db2.gz KHSICHFBLIYRMX-GFCCVEGCSA-N 1 2 321.425 0.416 10 0 DCAELO NC(=O)NC(=O)C[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000158192474 526926432 /nfs/dbraw/zinc/92/64/32/526926432.db2.gz CGCRZCWYGOJTIC-UHFFFAOYSA-N 1 2 320.176 0.983 10 0 DCAELO NC(=O)NC(=O)C[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000158192474 526926435 /nfs/dbraw/zinc/92/64/35/526926435.db2.gz CGCRZCWYGOJTIC-UHFFFAOYSA-N 1 2 320.176 0.983 10 0 DCAELO O=C(NC1CC1)C(=O)N1CC[NH+](C[C@H](O)CC2CCCC2)CC1 ZINC000191306422 545925903 /nfs/dbraw/zinc/92/59/03/545925903.db2.gz FPFKUPVCKAXQSG-OAHLLOKOSA-N 1 2 323.437 0.350 10 0 DCAELO Cc1cc(N[C@@H]2CCCN(c3nccn(C)c3=O)C2)nc[nH+]1 ZINC000328643802 546038325 /nfs/dbraw/zinc/03/83/25/546038325.db2.gz YYHGVGSQNOLBSV-GFCCVEGCSA-N 1 2 300.366 0.960 10 0 DCAELO CO[C@]1(CO)CCC[N@H+](Cc2nnnn2Cc2ccccc2)C1 ZINC000401773341 546225551 /nfs/dbraw/zinc/22/55/51/546225551.db2.gz KYIVXLUSHJDPOD-MRXNPFEDSA-N 1 2 317.393 0.695 10 0 DCAELO CO[C@]1(CO)CCC[N@@H+](Cc2nnnn2Cc2ccccc2)C1 ZINC000401773341 546225557 /nfs/dbraw/zinc/22/55/57/546225557.db2.gz KYIVXLUSHJDPOD-MRXNPFEDSA-N 1 2 317.393 0.695 10 0 DCAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)Nc1cccnc1Cl ZINC000125827247 660898169 /nfs/dbraw/zinc/89/81/69/660898169.db2.gz PLGOUKHBCUPTFN-SNVBAGLBSA-N 1 2 314.773 0.550 10 0 DCAELO O=C1[C@@H]([N@@H+]2CCO[C@]3(CCCOC3)C2)CCN1C1CCOCC1 ZINC000329063909 661641254 /nfs/dbraw/zinc/64/12/54/661641254.db2.gz KKCUPLSZGPVHDZ-DOTOQJQBSA-N 1 2 324.421 0.648 10 0 DCAELO O=C1[C@@H]([N@H+]2CCO[C@]3(CCCOC3)C2)CCN1C1CCOCC1 ZINC000329063909 661641257 /nfs/dbraw/zinc/64/12/57/661641257.db2.gz KKCUPLSZGPVHDZ-DOTOQJQBSA-N 1 2 324.421 0.648 10 0 DCAELO CC(=O)OC1CC[NH+](CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)CC1 ZINC000156887343 664394616 /nfs/dbraw/zinc/39/46/16/664394616.db2.gz OFDCUHGLBDTCBF-ZIAGYGMSSA-N 1 2 306.362 0.923 10 0 DCAELO C[C@H]1CC[C@H](C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)O1 ZINC000153835675 665058708 /nfs/dbraw/zinc/05/87/08/665058708.db2.gz VOXDOSSLCFXQLG-WCQYABFASA-N 1 2 318.439 0.179 10 0 DCAELO CO[C@@H]1C[N@H+](Cc2ncnn2C(C)(C)C)C[C@H]1c1cn(C)nn1 ZINC000886072042 667728364 /nfs/dbraw/zinc/72/83/64/667728364.db2.gz LIOXZXLPHNROGG-WCQYABFASA-N 1 2 319.413 0.776 10 0 DCAELO CO[C@@H]1C[N@@H+](Cc2ncnn2C(C)(C)C)C[C@H]1c1cn(C)nn1 ZINC000886072042 667728367 /nfs/dbraw/zinc/72/83/67/667728367.db2.gz LIOXZXLPHNROGG-WCQYABFASA-N 1 2 319.413 0.776 10 0 DCAELO CC[S@@](=O)CCNC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000741090146 667758829 /nfs/dbraw/zinc/75/88/29/667758829.db2.gz PGTVNHGKLTXJGN-FKIZINRSSA-N 1 2 305.444 0.023 10 0 DCAELO Cc1nn(C)c(Cl)c1C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000188793578 670048036 /nfs/dbraw/zinc/04/80/36/670048036.db2.gz ZHKOHLPIOAYGTF-VIFPVBQESA-N 1 2 300.790 0.521 10 0 DCAELO Cc1nn(C)c(Cl)c1C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000188793578 670048034 /nfs/dbraw/zinc/04/80/34/670048034.db2.gz ZHKOHLPIOAYGTF-VIFPVBQESA-N 1 2 300.790 0.521 10 0 DCAELO Cn1cc(CNC[C@@H]2C[N@H+](C)CCO2)c(Br)n1 ZINC000712490608 670149677 /nfs/dbraw/zinc/14/96/77/670149677.db2.gz HWKXSMBQBLCGKD-SNVBAGLBSA-N 1 2 303.204 0.603 10 0 DCAELO Cn1cc(CNC[C@@H]2C[N@@H+](C)CCO2)c(Br)n1 ZINC000712490608 670149678 /nfs/dbraw/zinc/14/96/78/670149678.db2.gz HWKXSMBQBLCGKD-SNVBAGLBSA-N 1 2 303.204 0.603 10 0 DCAELO CCCn1cc([C@H](C)[NH2+][C@H]2CCN(S(C)(=O)=O)C2)nn1 ZINC000715917869 670225798 /nfs/dbraw/zinc/22/57/98/670225798.db2.gz BZCRROLROYFYBB-QWRGUYRKSA-N 1 2 301.416 0.373 10 0 DCAELO CC[N@@H+]1CCC[C@@H](NC(=O)CS[C@@H]2CCS(=O)(=O)C2)C1 ZINC000193686396 670330954 /nfs/dbraw/zinc/33/09/54/670330954.db2.gz DCJQLNMGUCTUBO-VXGBXAGGSA-N 1 2 320.480 0.507 10 0 DCAELO CC[N@H+]1CCC[C@@H](NC(=O)CS[C@@H]2CCS(=O)(=O)C2)C1 ZINC000193686396 670330959 /nfs/dbraw/zinc/33/09/59/670330959.db2.gz DCJQLNMGUCTUBO-VXGBXAGGSA-N 1 2 320.480 0.507 10 0 DCAELO O=S(=O)(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)c1c[nH]cn1 ZINC000720485123 685313740 /nfs/dbraw/zinc/31/37/40/685313740.db2.gz TVZSNRSOFIYQGP-NXEZZACHSA-N 1 2 302.425 0.268 10 0 DCAELO O=S(=O)(N[C@@H]1CCC[N@H+]2CCSC[C@H]12)c1c[nH]cn1 ZINC000720485123 685313744 /nfs/dbraw/zinc/31/37/44/685313744.db2.gz TVZSNRSOFIYQGP-NXEZZACHSA-N 1 2 302.425 0.268 10 0 DCAELO CC1(C)C[N@H+](CCNC(=O)Cn2nnc3ccccc32)CCO1 ZINC000194913047 1188192108 /nfs/dbraw/zinc/19/21/08/1188192108.db2.gz UBDMSBODDXCRMX-UHFFFAOYSA-N 1 2 317.393 0.658 10 0 DCAELO CC1(C)C[N@@H+](CCNC(=O)Cn2nnc3ccccc32)CCO1 ZINC000194913047 1188192111 /nfs/dbraw/zinc/19/21/11/1188192111.db2.gz UBDMSBODDXCRMX-UHFFFAOYSA-N 1 2 317.393 0.658 10 0 DCAELO CN(C)c1noc(CN2CCCC[C@@H]2C[NH+]2CCOCC2)n1 ZINC000192733630 282333017 /nfs/dbraw/zinc/33/30/17/282333017.db2.gz HBSRHJBOBMJCHX-CYBMUJFWSA-N 1 2 309.414 0.822 10 0 DCAELO CN(C)c1noc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)n1 ZINC000192733630 282333018 /nfs/dbraw/zinc/33/30/18/282333018.db2.gz HBSRHJBOBMJCHX-CYBMUJFWSA-N 1 2 309.414 0.822 10 0 DCAELO CN(C)c1noc(C[N@H+]2CCCC[C@@H]2CN2CCOCC2)n1 ZINC000192733630 282333020 /nfs/dbraw/zinc/33/30/20/282333020.db2.gz HBSRHJBOBMJCHX-CYBMUJFWSA-N 1 2 309.414 0.822 10 0 DCAELO CN(Cc1n[nH]c(=O)[nH]1)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000328647587 530022666 /nfs/dbraw/zinc/02/26/66/530022666.db2.gz UBXUWJQXYOHREN-SMDDNHRTSA-N 1 2 319.413 0.759 10 0 DCAELO CN(Cc1n[nH]c(=O)[nH]1)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000328647587 530022667 /nfs/dbraw/zinc/02/26/67/530022667.db2.gz UBXUWJQXYOHREN-SMDDNHRTSA-N 1 2 319.413 0.759 10 0 DCAELO Cn1cc[nH+]c1[C@@H]1CN(CC(=O)NC[C@@H]2CCCO2)CCN1C ZINC000279885521 215207180 /nfs/dbraw/zinc/20/71/80/215207180.db2.gz CRQVJMMEGCTOPR-KBPBESRZSA-N 1 2 321.425 0.004 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@@H](CCO)c2ccccc2)C1 ZINC000172700888 198138585 /nfs/dbraw/zinc/13/85/85/198138585.db2.gz HDNNRNMAKFMLIK-CVEARBPZSA-N 1 2 321.421 0.782 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)NC[C@@H](CCO)c2ccccc2)C1 ZINC000172700888 198138587 /nfs/dbraw/zinc/13/85/87/198138587.db2.gz HDNNRNMAKFMLIK-CVEARBPZSA-N 1 2 321.421 0.782 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2ccccc2Cn2cncn2)C1 ZINC000172922286 198167895 /nfs/dbraw/zinc/16/78/95/198167895.db2.gz LJQYOSYYCTYZMG-AWEZNQCLSA-N 1 2 315.377 0.387 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)c2ccccc2Cn2cncn2)C1 ZINC000172922286 198167896 /nfs/dbraw/zinc/16/78/96/198167896.db2.gz LJQYOSYYCTYZMG-AWEZNQCLSA-N 1 2 315.377 0.387 10 0 DCAELO CCc1cc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc(=O)[nH]1 ZINC000182045562 199379456 /nfs/dbraw/zinc/37/94/56/199379456.db2.gz ZTSLQOIHFQRZHL-CQSZACIVSA-N 1 2 305.378 0.484 10 0 DCAELO C[C@H]1CN(C(=O)c2cc(N(C)C)ccn2)C[C@@H]1[NH+]1CCOCC1 ZINC000173979687 198276280 /nfs/dbraw/zinc/27/62/80/198276280.db2.gz FEFAYASBNHMTBE-BBRMVZONSA-N 1 2 318.421 0.940 10 0 DCAELO CCN(Cc1ccccc1)C(=O)CNC(=O)[C@@H]1COCC[NH2+]1 ZINC000236948515 202087605 /nfs/dbraw/zinc/08/76/05/202087605.db2.gz MCRWDCXRZXKGNI-AWEZNQCLSA-N 1 2 305.378 0.140 10 0 DCAELO CC[C@@H](CO)[NH+]1CCN(C(=O)[C@H]2CCCc3[nH]ncc32)CC1 ZINC000179414095 199030624 /nfs/dbraw/zinc/03/06/24/199030624.db2.gz JWLOSCDUTWMSPF-STQMWFEESA-N 1 2 306.410 0.745 10 0 DCAELO C[C@H](c1cnn(C)c1)N(C)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000180322956 199145651 /nfs/dbraw/zinc/14/56/51/199145651.db2.gz ZKPUVOYLXQFLPT-QWHCGFSZSA-N 1 2 309.414 0.843 10 0 DCAELO C[C@@H](c1cnn(C)c1)[N@H+](C)CC(=O)NCC(=O)N1CCCC1 ZINC000180419324 199156859 /nfs/dbraw/zinc/15/68/59/199156859.db2.gz DCOCVUKBQCYODQ-LBPRGKRZSA-N 1 2 307.398 0.152 10 0 DCAELO C[C@@H](c1cnn(C)c1)[N@@H+](C)CC(=O)NCC(=O)N1CCCC1 ZINC000180419324 199156861 /nfs/dbraw/zinc/15/68/61/199156861.db2.gz DCOCVUKBQCYODQ-LBPRGKRZSA-N 1 2 307.398 0.152 10 0 DCAELO CCN(CC)C(=O)[C@@H]1CCCN1C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000188449426 200248687 /nfs/dbraw/zinc/24/86/87/200248687.db2.gz ITEPQTNNQYBUKU-ZDUSSCGKSA-N 1 2 319.409 0.528 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)c2c(F)cccc2F)CC[N@@H+]1CCO ZINC000188730856 200295722 /nfs/dbraw/zinc/29/57/22/200295722.db2.gz IBZSGBQDHAVETN-SNVBAGLBSA-N 1 2 320.361 0.652 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)c2c(F)cccc2F)CC[N@H+]1CCO ZINC000188730856 200295724 /nfs/dbraw/zinc/29/57/24/200295724.db2.gz IBZSGBQDHAVETN-SNVBAGLBSA-N 1 2 320.361 0.652 10 0 DCAELO Cc1cc(F)ccc1CN1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000275758352 238311448 /nfs/dbraw/zinc/31/14/48/238311448.db2.gz QORHZEYVYFGBHN-OAHLLOKOSA-N 1 2 309.385 0.752 10 0 DCAELO Cc1cc(F)ccc1CN1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000275758352 238311451 /nfs/dbraw/zinc/31/14/51/238311451.db2.gz QORHZEYVYFGBHN-OAHLLOKOSA-N 1 2 309.385 0.752 10 0 DCAELO Cc1cc(F)ccc1C[N@@H+]1CCO[C@H](CN(C)CC(N)=O)C1 ZINC000275758352 238311455 /nfs/dbraw/zinc/31/14/55/238311455.db2.gz QORHZEYVYFGBHN-OAHLLOKOSA-N 1 2 309.385 0.752 10 0 DCAELO Cc1cc(F)ccc1C[N@H+]1CCO[C@H](CN(C)CC(N)=O)C1 ZINC000275758352 238311458 /nfs/dbraw/zinc/31/14/58/238311458.db2.gz QORHZEYVYFGBHN-OAHLLOKOSA-N 1 2 309.385 0.752 10 0 DCAELO Cn1cc[nH+]c1[C@H]1CN(C(=O)COC[C@@H]2CCCO2)CCN1C ZINC000328616995 291259544 /nfs/dbraw/zinc/25/95/44/291259544.db2.gz CGFGZRXZBHAYAM-UONOGXRCSA-N 1 2 322.409 0.431 10 0 DCAELO Cn1cc[nH+]c1[C@H]1CN(C(=O)NC[C@H]2CCCCO2)CCN1C ZINC000275356037 212289701 /nfs/dbraw/zinc/28/97/01/212289701.db2.gz ISJJYFKAWNQCCD-ZIAGYGMSSA-N 1 2 321.425 0.987 10 0 DCAELO COC(=O)[C@@H]1CC[C@@H]1C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000375855180 291443324 /nfs/dbraw/zinc/44/33/24/291443324.db2.gz ZILNBXNNOMKWFE-RQJABVFESA-N 1 2 310.394 0.365 10 0 DCAELO COC(=O)[C@@H]1CC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000375855181 291443549 /nfs/dbraw/zinc/44/35/49/291443549.db2.gz ZILNBXNNOMKWFE-XJFOESAGSA-N 1 2 310.394 0.365 10 0 DCAELO COCc1ccccc1CNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000104781289 194038790 /nfs/dbraw/zinc/03/87/90/194038790.db2.gz INYLCFMHDOCFSE-OAHLLOKOSA-N 1 2 307.394 0.963 10 0 DCAELO COCc1ccccc1CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000104781289 194038793 /nfs/dbraw/zinc/03/87/93/194038793.db2.gz INYLCFMHDOCFSE-OAHLLOKOSA-N 1 2 307.394 0.963 10 0 DCAELO COCCN(Cc1cccnc1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000105283405 194092608 /nfs/dbraw/zinc/09/26/08/194092608.db2.gz VUUWMDPQLLITEV-HNNXBMFYSA-N 1 2 322.409 0.570 10 0 DCAELO COCCN(Cc1cccnc1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000105283405 194092611 /nfs/dbraw/zinc/09/26/11/194092611.db2.gz VUUWMDPQLLITEV-HNNXBMFYSA-N 1 2 322.409 0.570 10 0 DCAELO C[NH+](C)[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000106429626 194213680 /nfs/dbraw/zinc/21/36/80/194213680.db2.gz SBDNEYWVBNELFX-ZIAGYGMSSA-N 1 2 310.419 0.463 10 0 DCAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)Nc1cccc(Cl)n1 ZINC000183854818 252612353 /nfs/dbraw/zinc/61/23/53/252612353.db2.gz NTRNZGBUZMIZBH-SNVBAGLBSA-N 1 2 314.773 0.550 10 0 DCAELO CN(C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)[C@@H]1CCCO1 ZINC000351803638 254370706 /nfs/dbraw/zinc/37/07/06/254370706.db2.gz FTNAXWYTOHLKKM-ILXRZTDVSA-N 1 2 324.400 0.970 10 0 DCAELO CN(C[C@@H]1C[C@@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)[C@@H]1CCCO1 ZINC000351803638 254370707 /nfs/dbraw/zinc/37/07/07/254370707.db2.gz FTNAXWYTOHLKKM-ILXRZTDVSA-N 1 2 324.400 0.970 10 0 DCAELO CS(=O)(=O)N1C[C@@H]2CCC[N@H+](Cc3nccs3)[C@@H]2C1 ZINC000247488216 257119519 /nfs/dbraw/zinc/11/95/19/257119519.db2.gz APTNZZABVBUHDU-WDEREUQCSA-N 1 2 301.437 0.999 10 0 DCAELO CS(=O)(=O)N1C[C@@H]2CCC[N@@H+](Cc3nccs3)[C@@H]2C1 ZINC000247488216 257119521 /nfs/dbraw/zinc/11/95/21/257119521.db2.gz APTNZZABVBUHDU-WDEREUQCSA-N 1 2 301.437 0.999 10 0 DCAELO Cc1cc(CNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)n(C)n1 ZINC000283803878 131025573 /nfs/dbraw/zinc/02/55/73/131025573.db2.gz BJCLGVJHXWYRGP-ZIAGYGMSSA-N 1 2 307.398 0.343 10 0 DCAELO Cc1cc(CNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)n(C)n1 ZINC000283803878 131025574 /nfs/dbraw/zinc/02/55/74/131025574.db2.gz BJCLGVJHXWYRGP-ZIAGYGMSSA-N 1 2 307.398 0.343 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc4c(c3)OCO4)C[C@H]21 ZINC000283936575 131034503 /nfs/dbraw/zinc/03/45/03/131034503.db2.gz FLKBRMANVVIJRD-CHWSQXEVSA-N 1 2 304.346 0.960 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc4c(c3)OCO4)C[C@H]21 ZINC000283936575 131034504 /nfs/dbraw/zinc/03/45/04/131034504.db2.gz FLKBRMANVVIJRD-CHWSQXEVSA-N 1 2 304.346 0.960 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc4n[nH]nc4c3)C[C@@H]21 ZINC000284387486 131076310 /nfs/dbraw/zinc/07/63/10/131076310.db2.gz BBFPYFMEKMVTNC-KBPBESRZSA-N 1 2 301.350 0.503 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc4n[nH]nc4c3)C[C@@H]21 ZINC000284387486 131076311 /nfs/dbraw/zinc/07/63/11/131076311.db2.gz BBFPYFMEKMVTNC-KBPBESRZSA-N 1 2 301.350 0.503 10 0 DCAELO Cc1ccn2ncc(C(=O)N3CC[C@@H]4OCC[N@@H+](C)[C@H]4C3)c2n1 ZINC000284465312 131083696 /nfs/dbraw/zinc/08/36/96/131083696.db2.gz LPFZLAVHWIVZAP-KBPBESRZSA-N 1 2 315.377 0.583 10 0 DCAELO Cc1ccn2ncc(C(=O)N3CC[C@@H]4OCC[N@H+](C)[C@H]4C3)c2n1 ZINC000284465312 131083697 /nfs/dbraw/zinc/08/36/97/131083697.db2.gz LPFZLAVHWIVZAP-KBPBESRZSA-N 1 2 315.377 0.583 10 0 DCAELO Cc1c(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)cnn1C ZINC000285422513 131166325 /nfs/dbraw/zinc/16/63/25/131166325.db2.gz NHRHAGKZRGYXND-KGLIPLIRSA-N 1 2 307.398 0.343 10 0 DCAELO Cc1c(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)cnn1C ZINC000285422513 131166326 /nfs/dbraw/zinc/16/63/26/131166326.db2.gz NHRHAGKZRGYXND-KGLIPLIRSA-N 1 2 307.398 0.343 10 0 DCAELO CCc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1F ZINC000164131939 132129598 /nfs/dbraw/zinc/12/95/98/132129598.db2.gz JSSLUOPOEQOTFO-CYBMUJFWSA-N 1 2 323.368 0.773 10 0 DCAELO CCc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1F ZINC000164131939 132129599 /nfs/dbraw/zinc/12/95/99/132129599.db2.gz JSSLUOPOEQOTFO-CYBMUJFWSA-N 1 2 323.368 0.773 10 0 DCAELO Cn1cnc(S(=O)(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1Cl ZINC000038109922 395731340 /nfs/dbraw/zinc/73/13/40/395731340.db2.gz UZLDBWUCPBOBLM-SNVBAGLBSA-N 1 2 318.830 0.932 10 0 DCAELO Cn1cnc(S(=O)(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c1Cl ZINC000038109922 395731344 /nfs/dbraw/zinc/73/13/44/395731344.db2.gz UZLDBWUCPBOBLM-SNVBAGLBSA-N 1 2 318.830 0.932 10 0 DCAELO Cc1noc(NC(=O)C2CC[NH+](Cc3nccn3C)CC2)n1 ZINC000193795133 395778689 /nfs/dbraw/zinc/77/86/89/395778689.db2.gz VXNRWIWCJRQVCJ-UHFFFAOYSA-N 1 2 304.354 0.962 10 0 DCAELO CCOc1ccccc1OCC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000194632520 395802870 /nfs/dbraw/zinc/80/28/70/395802870.db2.gz GBSHYVHPANRLSE-CYBMUJFWSA-N 1 2 308.378 0.911 10 0 DCAELO CCOc1ccccc1OCC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000194632520 395802872 /nfs/dbraw/zinc/80/28/72/395802872.db2.gz GBSHYVHPANRLSE-CYBMUJFWSA-N 1 2 308.378 0.911 10 0 DCAELO O=C(NCCn1cc[nH+]c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111787780 395813292 /nfs/dbraw/zinc/81/32/92/395813292.db2.gz RNDLLAOMBXJHGT-ZDUSSCGKSA-N 1 2 304.354 0.190 10 0 DCAELO CCc1nnc(CN2CC[NH+](CC(=O)N[C@H](C)CC)CC2)n1C ZINC000195058883 395815009 /nfs/dbraw/zinc/81/50/09/395815009.db2.gz YQBYCSWEIXAULW-CYBMUJFWSA-N 1 2 322.457 0.410 10 0 DCAELO COCCCNC(=O)C1CC[NH+](Cc2nnnn2C(C)C)CC1 ZINC000195103787 395816045 /nfs/dbraw/zinc/81/60/45/395816045.db2.gz RDFHCLAJDUVXSV-UHFFFAOYSA-N 1 2 324.429 0.619 10 0 DCAELO Cc1ccccc1[C@H](O)CNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000112391108 395817056 /nfs/dbraw/zinc/81/70/56/395817056.db2.gz SFVWMXXQJXJMOD-UKRRQHHQSA-N 1 2 307.394 0.658 10 0 DCAELO Cc1ccccc1[C@H](O)CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000112391108 395817059 /nfs/dbraw/zinc/81/70/59/395817059.db2.gz SFVWMXXQJXJMOD-UKRRQHHQSA-N 1 2 307.394 0.658 10 0 DCAELO Cc1cc(F)ccc1NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000118115357 395859702 /nfs/dbraw/zinc/85/97/02/395859702.db2.gz RQLRAARSNWYUSL-LBPRGKRZSA-N 1 2 309.341 0.519 10 0 DCAELO Cc1cc(F)ccc1NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000118115357 395859705 /nfs/dbraw/zinc/85/97/05/395859705.db2.gz RQLRAARSNWYUSL-LBPRGKRZSA-N 1 2 309.341 0.519 10 0 DCAELO CCn1cc(NC(=O)NC[C@@H](C)[NH+]2CCOCC2)ccc1=O ZINC000050038265 395836082 /nfs/dbraw/zinc/83/60/82/395836082.db2.gz HQKLZTUWECYTSA-GFCCVEGCSA-N 1 2 308.382 0.710 10 0 DCAELO Cc1ccc(F)cc1NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000118115577 395860139 /nfs/dbraw/zinc/86/01/39/395860139.db2.gz QZKDCLIPPOLNDW-LBPRGKRZSA-N 1 2 309.341 0.519 10 0 DCAELO Cc1ccc(F)cc1NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000118115577 395860143 /nfs/dbraw/zinc/86/01/43/395860143.db2.gz QZKDCLIPPOLNDW-LBPRGKRZSA-N 1 2 309.341 0.519 10 0 DCAELO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116419336 395843659 /nfs/dbraw/zinc/84/36/59/395843659.db2.gz BCGHZWXRGVFGST-UONOGXRCSA-N 1 2 321.425 0.640 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2Cc3ccccc3C(=O)O2)C1 ZINC000194630054 395802301 /nfs/dbraw/zinc/80/23/01/395802301.db2.gz FJMJUXJZDPKPQO-JSGCOSHPSA-N 1 2 304.346 0.215 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2Cc3ccccc3C(=O)O2)C1 ZINC000194630054 395802304 /nfs/dbraw/zinc/80/23/04/395802304.db2.gz FJMJUXJZDPKPQO-JSGCOSHPSA-N 1 2 304.346 0.215 10 0 DCAELO C[C@@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CCNC(=O)CC1 ZINC000122612516 395887875 /nfs/dbraw/zinc/88/78/75/395887875.db2.gz WGSKGGBJSQFJQX-ZDUSSCGKSA-N 1 2 301.390 0.782 10 0 DCAELO C[C@@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CCNC(=O)CC1 ZINC000122612516 395887876 /nfs/dbraw/zinc/88/78/76/395887876.db2.gz WGSKGGBJSQFJQX-ZDUSSCGKSA-N 1 2 301.390 0.782 10 0 DCAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)Nc1ccc(F)c(F)c1 ZINC000119316843 395870055 /nfs/dbraw/zinc/87/00/55/395870055.db2.gz MTKSRXGKJYBWGX-NSHDSACASA-N 1 2 315.320 0.779 10 0 DCAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)Nc1ccc(F)c(F)c1 ZINC000119316932 395870060 /nfs/dbraw/zinc/87/00/60/395870060.db2.gz MTKSRXGKJYBWGX-LLVKDONJSA-N 1 2 315.320 0.779 10 0 DCAELO C[C@@H](O)C[N@@H+]1CCN(CC(=O)NOCc2ccccc2)C[C@H]1C ZINC000119397345 395870807 /nfs/dbraw/zinc/87/08/07/395870807.db2.gz DQGMOQLOCNGLLU-HUUCEWRRSA-N 1 2 321.421 0.621 10 0 DCAELO C[C@@H](O)C[N@H+]1CCN(CC(=O)NOCc2ccccc2)C[C@H]1C ZINC000119397345 395870809 /nfs/dbraw/zinc/87/08/09/395870809.db2.gz DQGMOQLOCNGLLU-HUUCEWRRSA-N 1 2 321.421 0.621 10 0 DCAELO CN(C)C(=O)C[NH+](CCc1cccc(F)c1)CC(=O)N(C)C ZINC000119742770 395875138 /nfs/dbraw/zinc/87/51/38/395875138.db2.gz UKHGATVDAISJKI-UHFFFAOYSA-N 1 2 309.385 0.847 10 0 DCAELO Cc1cnn(C[C@H]2CN([C@H](C)C[NH+]3CCOCC3)CCO2)c1 ZINC000245940099 395938930 /nfs/dbraw/zinc/93/89/30/395938930.db2.gz APHLYPZJHIQQIM-HZPDHXFCSA-N 1 2 308.426 0.613 10 0 DCAELO C[C@H](CNC(=O)c1cccc(-n2cccn2)n1)[NH+]1CCOCC1 ZINC000135373033 395939259 /nfs/dbraw/zinc/93/92/59/395939259.db2.gz HDJUERQYJBNLBS-CYBMUJFWSA-N 1 2 315.377 0.718 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)N2CCCC[C@H]2c2cn[nH]c2)C1 ZINC000245942071 395939616 /nfs/dbraw/zinc/93/96/16/395939616.db2.gz JXYCFUBGSSPIDR-KGLIPLIRSA-N 1 2 307.398 0.977 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)N2CCCC[C@H]2c2cn[nH]c2)C1 ZINC000245942071 395939620 /nfs/dbraw/zinc/93/96/20/395939620.db2.gz JXYCFUBGSSPIDR-KGLIPLIRSA-N 1 2 307.398 0.977 10 0 DCAELO C[C@@H]1CN(Cc2cn3cccnc3n2)C[C@H]1[NH+]1CCOCC1 ZINC000246281355 395946289 /nfs/dbraw/zinc/94/62/89/395946289.db2.gz AJUDANLRIVVWKV-UKRRQHHQSA-N 1 2 301.394 0.882 10 0 DCAELO C[C@H]1CN(CC(=O)N(C)CC(F)(F)F)C[C@H]1[NH+]1CCOCC1 ZINC000246322728 395947383 /nfs/dbraw/zinc/94/73/83/395947383.db2.gz DDJBNFJSXIXZJS-NWDGAFQWSA-N 1 2 323.359 0.660 10 0 DCAELO C[C@@H](C(=O)Nc1ncccn1)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000246994977 395962828 /nfs/dbraw/zinc/96/28/28/395962828.db2.gz NNYFMVCQAGEFQB-QWHCGFSZSA-N 1 2 305.382 0.210 10 0 DCAELO C[C@@H](C(=O)Nc1ncccn1)[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000246994977 395962831 /nfs/dbraw/zinc/96/28/31/395962831.db2.gz NNYFMVCQAGEFQB-QWHCGFSZSA-N 1 2 305.382 0.210 10 0 DCAELO C[C@@H](C(=O)Nc1ncccn1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000246994977 395962835 /nfs/dbraw/zinc/96/28/35/395962835.db2.gz NNYFMVCQAGEFQB-QWHCGFSZSA-N 1 2 305.382 0.210 10 0 DCAELO C[C@@H]1CCN(C(=O)NC[C@H]2CN(C)CCO2)C[C@@H]1n1cc[nH+]c1 ZINC000247576665 395976407 /nfs/dbraw/zinc/97/64/07/395976407.db2.gz LRBQRXNNDDUQCB-ILXRZTDVSA-N 1 2 321.425 0.806 10 0 DCAELO Cn1cc(C[NH+]2CCN(C(=O)c3ccoc3)CC2)ccc1=O ZINC000065285896 395992456 /nfs/dbraw/zinc/99/24/56/395992456.db2.gz DINMSCRTHYCXCK-UHFFFAOYSA-N 1 2 301.346 0.936 10 0 DCAELO CN(C)c1ccc(C(=O)NC[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000154113533 396031387 /nfs/dbraw/zinc/03/13/87/396031387.db2.gz WYWSIYCEWQSFKM-HNNXBMFYSA-N 1 2 307.394 0.176 10 0 DCAELO Cc1cccc(OCCC(=O)NC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000154127456 396032222 /nfs/dbraw/zinc/03/22/22/396032222.db2.gz FQKYRFVJNJQLFH-OAHLLOKOSA-N 1 2 322.405 0.573 10 0 DCAELO Cc1cccc(OCC(=O)NC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000154124605 396032280 /nfs/dbraw/zinc/03/22/80/396032280.db2.gz CMQMEPXODBSLHZ-CQSZACIVSA-N 1 2 308.378 0.183 10 0 DCAELO CC(C)OCCS(=O)(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261697981 396057943 /nfs/dbraw/zinc/05/79/43/396057943.db2.gz LJPUVRDQWNSPEX-AWEZNQCLSA-N 1 2 313.423 0.783 10 0 DCAELO CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCOC[C@]23CCOC3)C1 ZINC000249392723 396007651 /nfs/dbraw/zinc/00/76/51/396007651.db2.gz BTYVOKLFKROPFT-UONOGXRCSA-N 1 2 318.439 0.149 10 0 DCAELO CS(=O)(=O)N1CCC[C@@H](C[N@H+]2CCOC[C@]23CCOC3)C1 ZINC000249392723 396007652 /nfs/dbraw/zinc/00/76/52/396007652.db2.gz BTYVOKLFKROPFT-UONOGXRCSA-N 1 2 318.439 0.149 10 0 DCAELO CCCC(=O)N[C@H]1CCCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000171002441 396103100 /nfs/dbraw/zinc/10/31/00/396103100.db2.gz DNBPIYSHGCAHFD-ZDUSSCGKSA-N 1 2 307.398 0.973 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2cccc(F)c2F)C1 ZINC000171094494 396106417 /nfs/dbraw/zinc/10/64/17/396106417.db2.gz BKXUCJOXEISLQQ-VIFPVBQESA-N 1 2 306.334 0.574 10 0 DCAELO C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2cccc(F)c2F)C1 ZINC000171094494 396106418 /nfs/dbraw/zinc/10/64/18/396106418.db2.gz BKXUCJOXEISLQQ-VIFPVBQESA-N 1 2 306.334 0.574 10 0 DCAELO CCc1noc2ncc(C(=O)NC[C@H]3C[N@H+](C)CCO3)cc12 ZINC000171286261 396112712 /nfs/dbraw/zinc/11/27/12/396112712.db2.gz FNADDMYSQFMESR-NSHDSACASA-N 1 2 304.350 0.846 10 0 DCAELO CCc1noc2ncc(C(=O)NC[C@H]3C[N@@H+](C)CCO3)cc12 ZINC000171286261 396112717 /nfs/dbraw/zinc/11/27/17/396112717.db2.gz FNADDMYSQFMESR-NSHDSACASA-N 1 2 304.350 0.846 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)N[C@H](CO)Cc2ccccc2)C1 ZINC000171706380 396122557 /nfs/dbraw/zinc/12/25/57/396122557.db2.gz PZMQUPKJWXPKME-GJZGRUSLSA-N 1 2 307.394 0.220 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)N[C@H](CO)Cc2ccccc2)C1 ZINC000171706380 396122559 /nfs/dbraw/zinc/12/25/59/396122559.db2.gz PZMQUPKJWXPKME-GJZGRUSLSA-N 1 2 307.394 0.220 10 0 DCAELO COc1ccc(CNC(=O)C[N@@H+]2CCN3C(=O)NC[C@H]3C2)cc1 ZINC000175899586 396145076 /nfs/dbraw/zinc/14/50/76/396145076.db2.gz JPXJZHXCGPYTTO-ZDUSSCGKSA-N 1 2 318.377 0.021 10 0 DCAELO COc1ccc(CNC(=O)C[N@H+]2CCN3C(=O)NC[C@H]3C2)cc1 ZINC000175899586 396145078 /nfs/dbraw/zinc/14/50/78/396145078.db2.gz JPXJZHXCGPYTTO-ZDUSSCGKSA-N 1 2 318.377 0.021 10 0 DCAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1ccc2ncsc2c1 ZINC000176438769 396155960 /nfs/dbraw/zinc/15/59/60/396155960.db2.gz PNLUWSQGTGOHIV-LBPRGKRZSA-N 1 2 321.402 0.719 10 0 DCAELO O=C(NCC[C@@H]1CCC[NH2+]C1)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000262604156 396160536 /nfs/dbraw/zinc/16/05/36/396160536.db2.gz SAEFKUXTCFMOLY-VIFPVBQESA-N 1 2 317.349 0.556 10 0 DCAELO COC(=O)CCOc1ccc(NC(=O)[C@@H]2COCC[NH2+]2)cc1 ZINC000262616398 396162855 /nfs/dbraw/zinc/16/28/55/396162855.db2.gz LXQMXRDVHLIWOY-ZDUSSCGKSA-N 1 2 308.334 0.555 10 0 DCAELO C[C@@H](CO)[C@H](C)NC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000177801004 396183902 /nfs/dbraw/zinc/18/39/02/396183902.db2.gz NNARCWMGTMNMEN-RYUDHWBXSA-N 1 2 316.361 0.944 10 0 DCAELO CC1(C)COCC[N@@H+]1CCNC(=O)CNC(=O)c1cccnc1 ZINC000178030664 396187405 /nfs/dbraw/zinc/18/74/05/396187405.db2.gz HGVKLLRDVYGSFF-UHFFFAOYSA-N 1 2 320.393 0.038 10 0 DCAELO CC1(C)COCC[N@H+]1CCNC(=O)CNC(=O)c1cccnc1 ZINC000178030664 396187409 /nfs/dbraw/zinc/18/74/09/396187409.db2.gz HGVKLLRDVYGSFF-UHFFFAOYSA-N 1 2 320.393 0.038 10 0 DCAELO COc1cccc(OCC[NH+]2CCN([C@H]3CCNC3=O)CC2)c1 ZINC000178211549 396191949 /nfs/dbraw/zinc/19/19/49/396191949.db2.gz JZCZOPKNSHOKCF-INIZCTEOSA-N 1 2 319.405 0.580 10 0 DCAELO COc1cccc(OCCN2CC[NH+]([C@H]3CCNC3=O)CC2)c1 ZINC000178211549 396191951 /nfs/dbraw/zinc/19/19/51/396191951.db2.gz JZCZOPKNSHOKCF-INIZCTEOSA-N 1 2 319.405 0.580 10 0 DCAELO Cc1nnc([C@H]2CN(C(=O)[C@H]3CC(F)(F)C[NH2+]3)CCO2)[nH]1 ZINC000262960296 396194491 /nfs/dbraw/zinc/19/44/91/396194491.db2.gz KRVBEFZGXZXGRE-RKDXNWHRSA-N 1 2 301.297 0.010 10 0 DCAELO Cc1nc([C@H]2CN(C(=O)[C@H]3CC(F)(F)C[NH2+]3)CCO2)n[nH]1 ZINC000262960296 396194492 /nfs/dbraw/zinc/19/44/92/396194492.db2.gz KRVBEFZGXZXGRE-RKDXNWHRSA-N 1 2 301.297 0.010 10 0 DCAELO O=C(NCc1ccnc(-n2cccn2)c1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263008164 396198084 /nfs/dbraw/zinc/19/80/84/396198084.db2.gz PKUIILOAFLFAMY-NSHDSACASA-N 1 2 307.304 0.881 10 0 DCAELO C[C@H](C[S@](C)=O)[N@H+](C)CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000185116777 396317480 /nfs/dbraw/zinc/31/74/80/396317480.db2.gz FGOSYDSRFXKSKO-IDGQHGNYSA-N 1 2 316.467 0.855 10 0 DCAELO C[C@H](C[S@](C)=O)[N@@H+](C)CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000185116777 396317483 /nfs/dbraw/zinc/31/74/83/396317483.db2.gz FGOSYDSRFXKSKO-IDGQHGNYSA-N 1 2 316.467 0.855 10 0 DCAELO C[C@@H]1OCC[C@@H]1S(=O)(=O)NCCc1cn2ccccc2[nH+]1 ZINC000184341093 396291739 /nfs/dbraw/zinc/29/17/39/396291739.db2.gz UEBVBSLVCLJQCU-AAEUAGOBSA-N 1 2 309.391 0.974 10 0 DCAELO O=C(C[N@@H+]1CCO[C@]2(CCOC2)C1)NCCOc1ccccc1 ZINC000185192252 396321138 /nfs/dbraw/zinc/32/11/38/396321138.db2.gz FBWOOTAENVAIGW-QGZVFWFLSA-N 1 2 320.389 0.673 10 0 DCAELO O=C(C[N@H+]1CCO[C@]2(CCOC2)C1)NCCOc1ccccc1 ZINC000185192252 396321141 /nfs/dbraw/zinc/32/11/41/396321141.db2.gz FBWOOTAENVAIGW-QGZVFWFLSA-N 1 2 320.389 0.673 10 0 DCAELO O=c1[nH]c(C[N@H+]2C[C@H](O)C[C@@H]2CO)nc2ccc(Cl)cc12 ZINC000184731357 396303993 /nfs/dbraw/zinc/30/39/93/396303993.db2.gz DHUJOICFVVSYJL-NXEZZACHSA-N 1 2 309.753 0.504 10 0 DCAELO O=c1[nH]c(C[N@@H+]2C[C@H](O)C[C@@H]2CO)nc2ccc(Cl)cc12 ZINC000184731357 396303995 /nfs/dbraw/zinc/30/39/95/396303995.db2.gz DHUJOICFVVSYJL-NXEZZACHSA-N 1 2 309.753 0.504 10 0 DCAELO Cc1cc(N2CCN(C(=O)NCCn3cc[nH+]c3)CC2)n[nH]1 ZINC000187825505 396374906 /nfs/dbraw/zinc/37/49/06/396374906.db2.gz ZMRWWLJXJPCKNQ-UHFFFAOYSA-N 1 2 303.370 0.446 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)cc3)C[C@H]21 ZINC000286208163 396381098 /nfs/dbraw/zinc/38/10/98/396381098.db2.gz BYBZSMZLXIZBJU-ZIAGYGMSSA-N 1 2 303.362 0.331 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)cc3)C[C@H]21 ZINC000286208163 396381099 /nfs/dbraw/zinc/38/10/99/396381099.db2.gz BYBZSMZLXIZBJU-ZIAGYGMSSA-N 1 2 303.362 0.331 10 0 DCAELO O=C(c1n[nH]c2c1C[NH2+]CC2)N1CC[C@H](Oc2cccnc2)C1 ZINC000188953201 396389095 /nfs/dbraw/zinc/38/90/95/396389095.db2.gz QGOFHRSIZSYKFY-LBPRGKRZSA-N 1 2 313.361 0.744 10 0 DCAELO Cc1nn(C)cc1NC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000189707461 396397832 /nfs/dbraw/zinc/39/78/32/396397832.db2.gz UHHYOCNWYXURKU-BXUZGUMPSA-N 1 2 307.398 0.913 10 0 DCAELO CCN1CN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1=O ZINC000190032682 396402101 /nfs/dbraw/zinc/40/21/01/396402101.db2.gz LMQPUJJVCLWWPS-GFCCVEGCSA-N 1 2 303.366 0.492 10 0 DCAELO CCCNC(=O)NC(=O)C[NH+]1CCC(c2nnc(CC)[nH]2)CC1 ZINC000190651670 396409549 /nfs/dbraw/zinc/40/95/49/396409549.db2.gz JZSOEQPNEOSVNG-UHFFFAOYSA-N 1 2 322.413 0.782 10 0 DCAELO CCCNC(=O)NC(=O)C[NH+]1CCC(c2nc(CC)n[nH]2)CC1 ZINC000190651670 396409550 /nfs/dbraw/zinc/40/95/50/396409550.db2.gz JZSOEQPNEOSVNG-UHFFFAOYSA-N 1 2 322.413 0.782 10 0 DCAELO CCCNC(=O)NC(=O)C[NH+]1CCC(c2n[nH]c(CC)n2)CC1 ZINC000190651670 396409551 /nfs/dbraw/zinc/40/95/51/396409551.db2.gz JZSOEQPNEOSVNG-UHFFFAOYSA-N 1 2 322.413 0.782 10 0 DCAELO C[C@@H]1C(=O)NCCCN1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000191413373 396418647 /nfs/dbraw/zinc/41/86/47/396418647.db2.gz VDXYULSTCZUFLD-GFCCVEGCSA-N 1 2 312.414 0.017 10 0 DCAELO C[C@@H]1C(=O)NCCCN1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000191413373 396418651 /nfs/dbraw/zinc/41/86/51/396418651.db2.gz VDXYULSTCZUFLD-GFCCVEGCSA-N 1 2 312.414 0.017 10 0 DCAELO O=S(=O)(NCC(F)(F)F)N1CCC([NH+]2CCCC2)CC1 ZINC000192016110 396428290 /nfs/dbraw/zinc/42/82/90/396428290.db2.gz UVUFOXRDRQQZGL-UHFFFAOYSA-N 1 2 315.361 0.943 10 0 DCAELO C[C@@H]1CN(C(=O)c2cnc(Cl)cn2)C[C@@H]1[NH+]1CCOCC1 ZINC000192804458 396438114 /nfs/dbraw/zinc/43/81/14/396438114.db2.gz GJKRTUJTDGJNSX-PWSUYJOCSA-N 1 2 310.785 0.923 10 0 DCAELO CCc1ccc(CS(=O)(=O)NC[C@H]2C[N@H+](C)CCO2)cc1 ZINC000372201158 396496697 /nfs/dbraw/zinc/49/66/97/396496697.db2.gz LFVQNENYHBGJFV-HNNXBMFYSA-N 1 2 312.435 0.999 10 0 DCAELO CCc1ccc(CS(=O)(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000372201158 396496702 /nfs/dbraw/zinc/49/67/02/396496702.db2.gz LFVQNENYHBGJFV-HNNXBMFYSA-N 1 2 312.435 0.999 10 0 DCAELO O=C1CCC(=O)N1CC[N@@H+]1CCO[C@H](COc2ccccc2)C1 ZINC000562319373 396657131 /nfs/dbraw/zinc/65/71/31/396657131.db2.gz YVXVNOJETVBUMW-HNNXBMFYSA-N 1 2 318.373 0.915 10 0 DCAELO O=C1CCC(=O)N1CC[N@H+]1CCO[C@H](COc2ccccc2)C1 ZINC000562319373 396657135 /nfs/dbraw/zinc/65/71/35/396657135.db2.gz YVXVNOJETVBUMW-HNNXBMFYSA-N 1 2 318.373 0.915 10 0 DCAELO COC(=O)[C@@H](CC(C)C)[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000586762485 396663773 /nfs/dbraw/zinc/66/37/73/396663773.db2.gz ZUOSCVSLZKVWOD-VXGBXAGGSA-N 1 2 306.428 0.588 10 0 DCAELO COC(=O)[C@@H](CC(C)C)[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000586762485 396663777 /nfs/dbraw/zinc/66/37/77/396663777.db2.gz ZUOSCVSLZKVWOD-VXGBXAGGSA-N 1 2 306.428 0.588 10 0 DCAELO Cn1cnnc1[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2)CCO1 ZINC000328625347 396824055 /nfs/dbraw/zinc/82/40/55/396824055.db2.gz DAEGQFOPXLCSTI-HIFRSBDPSA-N 1 2 318.377 0.628 10 0 DCAELO Cn1cnnc1[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2)CCO1 ZINC000328625347 396824056 /nfs/dbraw/zinc/82/40/56/396824056.db2.gz DAEGQFOPXLCSTI-HIFRSBDPSA-N 1 2 318.377 0.628 10 0 DCAELO Cc1cc(C)n(CC(=O)N2CCN(C)[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000328630651 396827267 /nfs/dbraw/zinc/82/72/67/396827267.db2.gz QBZSVFIWFMIGFL-CYBMUJFWSA-N 1 2 302.382 0.738 10 0 DCAELO Cc1nc([C@@H]2CCCCN2C(=O)[C@@H](C)N2CC[NH+](C)CC2)n[nH]1 ZINC000328705607 396831322 /nfs/dbraw/zinc/83/13/22/396831322.db2.gz YTQDTNBCYGLELK-OCCSQVGLSA-N 1 2 320.441 0.803 10 0 DCAELO O=C(C[N@@H+]1C[C@@H]2COC[C@H](C1)O2)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000328701316 396831557 /nfs/dbraw/zinc/83/15/57/396831557.db2.gz WOUKFAMTUHSNBN-LJISPDSOSA-N 1 2 310.394 0.256 10 0 DCAELO O=C(C[N@H+]1C[C@@H]2COC[C@H](C1)O2)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000328701316 396831559 /nfs/dbraw/zinc/83/15/59/396831559.db2.gz WOUKFAMTUHSNBN-LJISPDSOSA-N 1 2 310.394 0.256 10 0 DCAELO C[C@@H](C(=O)N1CCCCCC1)[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329156972 396840094 /nfs/dbraw/zinc/84/00/94/396840094.db2.gz CYCPAWMPOKAZAO-MELADBBJSA-N 1 2 314.451 0.896 10 0 DCAELO C[C@@H](C(=O)N1CCCCCC1)[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329156972 396840099 /nfs/dbraw/zinc/84/00/99/396840099.db2.gz CYCPAWMPOKAZAO-MELADBBJSA-N 1 2 314.451 0.896 10 0 DCAELO CCc1nc(CN2CCC[C@@H]([N@H+](C)Cc3cnn(C)n3)C2)no1 ZINC000377875190 397157942 /nfs/dbraw/zinc/15/79/42/397157942.db2.gz REFCQEIOPOSYCR-CYBMUJFWSA-N 1 2 319.413 0.857 10 0 DCAELO CCc1nc(CN2CCC[C@@H]([N@@H+](C)Cc3cnn(C)n3)C2)no1 ZINC000377875190 397157945 /nfs/dbraw/zinc/15/79/45/397157945.db2.gz REFCQEIOPOSYCR-CYBMUJFWSA-N 1 2 319.413 0.857 10 0 DCAELO CC1=CC[N@H+](CCNC(=O)NC[C@@H]2CCCS2(=O)=O)CC1 ZINC000573974319 397224637 /nfs/dbraw/zinc/22/46/37/397224637.db2.gz VHQJAFXUUMLTCP-ZDUSSCGKSA-N 1 2 315.439 0.515 10 0 DCAELO CC1=CC[N@@H+](CCNC(=O)NC[C@@H]2CCCS2(=O)=O)CC1 ZINC000573974319 397224640 /nfs/dbraw/zinc/22/46/40/397224640.db2.gz VHQJAFXUUMLTCP-ZDUSSCGKSA-N 1 2 315.439 0.515 10 0 DCAELO O=C(N[C@@H]1CCO[C@H](C2CC2)C1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000574357597 397260061 /nfs/dbraw/zinc/26/00/61/397260061.db2.gz CQMGIIVBIZYUEO-HIFRSBDPSA-N 1 2 321.421 0.367 10 0 DCAELO CCS(=O)(=O)NCC[N@@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000407951459 397333598 /nfs/dbraw/zinc/33/35/98/397333598.db2.gz VEJGEAYKRSJEDB-VIFPVBQESA-N 1 2 304.334 0.315 10 0 DCAELO CCS(=O)(=O)NCC[N@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000407951459 397333604 /nfs/dbraw/zinc/33/36/04/397333604.db2.gz VEJGEAYKRSJEDB-VIFPVBQESA-N 1 2 304.334 0.315 10 0 DCAELO CC[C@H](C)[C@H](NC(C)=O)C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000408083227 397346171 /nfs/dbraw/zinc/34/61/71/397346171.db2.gz IOWPBJYAVDHURH-MHEUCROKSA-N 1 2 311.426 0.469 10 0 DCAELO CC[C@H](C)[C@H](NC(C)=O)C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000408083227 397346174 /nfs/dbraw/zinc/34/61/74/397346174.db2.gz IOWPBJYAVDHURH-MHEUCROKSA-N 1 2 311.426 0.469 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC(CC(N)=O)C1)C2 ZINC000366542023 397373435 /nfs/dbraw/zinc/37/34/35/397373435.db2.gz IDYZFQGCXQCIHQ-NSHDSACASA-N 1 2 304.394 0.972 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC(CC(N)=O)C1)CC2 ZINC000366542023 397373440 /nfs/dbraw/zinc/37/34/40/397373440.db2.gz IDYZFQGCXQCIHQ-NSHDSACASA-N 1 2 304.394 0.972 10 0 DCAELO COC(=O)C1(CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CC1 ZINC000614445697 397438966 /nfs/dbraw/zinc/43/89/66/397438966.db2.gz HCPZBXWORGTYMG-LBPRGKRZSA-N 1 2 311.382 0.056 10 0 DCAELO O=C(NCCn1cc[nH+]c1)C(=O)Nc1cccc2c1OCCC2 ZINC000370495637 397495033 /nfs/dbraw/zinc/49/50/33/397495033.db2.gz ASELYDQRBRAMDW-UHFFFAOYSA-N 1 2 314.345 0.963 10 0 DCAELO CN(C)C(=O)Cn1cc(C(=O)Nc2ccc3[nH+]ccn3c2)nn1 ZINC000603883913 397625356 /nfs/dbraw/zinc/62/53/56/397625356.db2.gz JEDMBKLPQNAIQE-UHFFFAOYSA-N 1 2 313.321 0.266 10 0 DCAELO Cc1cccc(OCCNC(=O)[C@H](C)[N@@H+]2CCNC(=O)CC2)c1 ZINC000068334236 158041873 /nfs/dbraw/zinc/04/18/73/158041873.db2.gz AQSZZYYSAWQOAM-AWEZNQCLSA-N 1 2 319.405 0.700 10 0 DCAELO Cc1cccc(OCCNC(=O)[C@H](C)[N@H+]2CCNC(=O)CC2)c1 ZINC000068334236 158041877 /nfs/dbraw/zinc/04/18/77/158041877.db2.gz AQSZZYYSAWQOAM-AWEZNQCLSA-N 1 2 319.405 0.700 10 0 DCAELO C[C@@H](CS(C)(=O)=O)NC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000072682177 158052728 /nfs/dbraw/zinc/05/27/28/158052728.db2.gz OLYDMESGSUTGCB-NSHDSACASA-N 1 2 303.428 0.299 10 0 DCAELO C[C@@H](CS(C)(=O)=O)NC(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000072682177 158052731 /nfs/dbraw/zinc/05/27/31/158052731.db2.gz OLYDMESGSUTGCB-NSHDSACASA-N 1 2 303.428 0.299 10 0 DCAELO CN(C)C(=O)C[N@H+](C)CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000079871809 158080157 /nfs/dbraw/zinc/08/01/57/158080157.db2.gz GGDXUJZPSCXWJW-JTQLQIEISA-N 1 2 309.332 0.807 10 0 DCAELO CN(C)C(=O)C[N@@H+](C)CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000079871809 158080159 /nfs/dbraw/zinc/08/01/59/158080159.db2.gz GGDXUJZPSCXWJW-JTQLQIEISA-N 1 2 309.332 0.807 10 0 DCAELO CC(C)NC(=O)CCN1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000088594985 158094368 /nfs/dbraw/zinc/09/43/68/158094368.db2.gz ZDGDITLNBAIVSB-OAHLLOKOSA-N 1 2 324.469 0.530 10 0 DCAELO COc1ccccc1/C=C/C[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000091866455 158110718 /nfs/dbraw/zinc/11/07/18/158110718.db2.gz OFFVLIJTUZKNPL-YVARQFDVSA-N 1 2 315.373 0.351 10 0 DCAELO COc1ccccc1/C=C/C[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000091866455 158110719 /nfs/dbraw/zinc/11/07/19/158110719.db2.gz OFFVLIJTUZKNPL-YVARQFDVSA-N 1 2 315.373 0.351 10 0 DCAELO Cc1noc(CCCC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)n1 ZINC000114854637 158157806 /nfs/dbraw/zinc/15/78/06/158157806.db2.gz CFGLVVMEGIIOSM-CYBMUJFWSA-N 1 2 308.382 0.680 10 0 DCAELO Cc1noc(CCCC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)n1 ZINC000114854637 158157808 /nfs/dbraw/zinc/15/78/08/158157808.db2.gz CFGLVVMEGIIOSM-CYBMUJFWSA-N 1 2 308.382 0.680 10 0 DCAELO CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116887547 158167735 /nfs/dbraw/zinc/16/77/35/158167735.db2.gz MSBXGJHZBWERKV-OLZOCXBDSA-N 1 2 319.471 0.503 10 0 DCAELO CC(C)C[C@@H](C)N(C)C(=O)C[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116887547 158167738 /nfs/dbraw/zinc/16/77/38/158167738.db2.gz MSBXGJHZBWERKV-OLZOCXBDSA-N 1 2 319.471 0.503 10 0 DCAELO CC(C)N(C(=O)C[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1)C(C)C ZINC000116890710 158168886 /nfs/dbraw/zinc/16/88/86/158168886.db2.gz MFCCPNGZFVIOGC-GFCCVEGCSA-N 1 2 305.444 0.255 10 0 DCAELO CC(C)N(C(=O)C[N@H+]1CC[C@@H](NS(C)(=O)=O)C1)C(C)C ZINC000116890710 158168889 /nfs/dbraw/zinc/16/88/89/158168889.db2.gz MFCCPNGZFVIOGC-GFCCVEGCSA-N 1 2 305.444 0.255 10 0 DCAELO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC000119994459 158192015 /nfs/dbraw/zinc/19/20/15/158192015.db2.gz JQKOXRPZTGLNSQ-CHWSQXEVSA-N 1 2 304.394 0.680 10 0 DCAELO CC(C)C[C@H](NC(N)=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000120120158 158193527 /nfs/dbraw/zinc/19/35/27/158193527.db2.gz HWMXHBKQGWVKEZ-STQMWFEESA-N 1 2 319.409 0.860 10 0 DCAELO CC(C)N1CCO[C@@H](C[NH+]2CCN(Cc3cc[nH]n3)CC2)C1 ZINC000121072381 158206736 /nfs/dbraw/zinc/20/67/36/158206736.db2.gz QJCSLQHBVWXFJO-INIZCTEOSA-N 1 2 307.442 0.637 10 0 DCAELO Cc1nc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c(=O)[nH]c1C ZINC000121467366 158209914 /nfs/dbraw/zinc/20/99/14/158209914.db2.gz GLGCIKBWKBYEGF-LBPRGKRZSA-N 1 2 313.361 0.790 10 0 DCAELO CNc1ncc(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)s1 ZINC000122661300 158222675 /nfs/dbraw/zinc/22/26/75/158222675.db2.gz QUJCFROPRSSCEF-GHMZBOCLSA-N 1 2 310.423 0.978 10 0 DCAELO C[C@H](CNC(=O)N[C@H](CO)CC(C)(C)C)[NH+]1CCOCC1 ZINC000128305126 158279677 /nfs/dbraw/zinc/27/96/77/158279677.db2.gz NQGXJDQRQMPMCH-OLZOCXBDSA-N 1 2 301.431 0.803 10 0 DCAELO CC[C@H](C)NC(=O)CN1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000131905062 158307130 /nfs/dbraw/zinc/30/71/30/158307130.db2.gz ULMJTHLCQKUTBC-KBPBESRZSA-N 1 2 310.442 0.187 10 0 DCAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1csc(C2CC2)n1 ZINC000132295484 158309648 /nfs/dbraw/zinc/30/96/48/158309648.db2.gz HDMGLEKQBCFKKW-LLVKDONJSA-N 1 2 311.407 0.443 10 0 DCAELO COC(=O)[C@H]1C[C@@H]1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000170756609 158376167 /nfs/dbraw/zinc/37/61/67/158376167.db2.gz FZKPHSCUGLSWIW-STQMWFEESA-N 1 2 303.362 0.976 10 0 DCAELO CN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000171619596 158384340 /nfs/dbraw/zinc/38/43/40/158384340.db2.gz UDMVVPLQJYOBDG-SNVBAGLBSA-N 1 2 305.304 0.936 10 0 DCAELO CN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000171619596 158384344 /nfs/dbraw/zinc/38/43/44/158384344.db2.gz UDMVVPLQJYOBDG-SNVBAGLBSA-N 1 2 305.304 0.936 10 0 DCAELO CN(C)c1[nH+]cccc1CNC(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000172542091 158395604 /nfs/dbraw/zinc/39/56/04/158395604.db2.gz ZZISAPLVQLNCOL-YPMHNXCESA-N 1 2 319.409 0.991 10 0 DCAELO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000172742057 158398522 /nfs/dbraw/zinc/39/85/22/158398522.db2.gz RLAVZKDVNZZCOQ-OAHLLOKOSA-N 1 2 317.389 0.867 10 0 DCAELO Cc1[nH]nc2ncc(C(=O)N3CC[C@@H]([NH+]4CCOCC4)C3)cc12 ZINC000172747502 158398982 /nfs/dbraw/zinc/39/89/82/158398982.db2.gz OMSAENZNEXWWJB-CYBMUJFWSA-N 1 2 315.377 0.813 10 0 DCAELO CC(C)(C)C(=O)NCCC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172766753 158399397 /nfs/dbraw/zinc/39/93/97/158399397.db2.gz RJZCZCDZKCLYAT-CYBMUJFWSA-N 1 2 311.426 0.472 10 0 DCAELO CN1C[C@H](NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)CCC1=O ZINC000177540179 158447688 /nfs/dbraw/zinc/44/76/88/158447688.db2.gz FQPNQIIHYUUQLD-OLZOCXBDSA-N 1 2 305.382 0.678 10 0 DCAELO Cc1noc(C)c1CSCC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000194619158 158599343 /nfs/dbraw/zinc/59/93/43/158599343.db2.gz XBZNTMGRDUONCB-LBPRGKRZSA-N 1 2 313.423 0.971 10 0 DCAELO Cc1noc(C)c1CSCC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000194619158 158599345 /nfs/dbraw/zinc/59/93/45/158599345.db2.gz XBZNTMGRDUONCB-LBPRGKRZSA-N 1 2 313.423 0.971 10 0 DCAELO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CC(=O)NC1CCOCC1 ZINC000248889316 158699703 /nfs/dbraw/zinc/69/97/03/158699703.db2.gz YJHWSQAXUZAOQK-LNSITVRQSA-N 1 2 310.394 0.555 10 0 DCAELO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CC(=O)NC1CCOCC1 ZINC000248889316 158699705 /nfs/dbraw/zinc/69/97/05/158699705.db2.gz YJHWSQAXUZAOQK-LNSITVRQSA-N 1 2 310.394 0.555 10 0 DCAELO Cc1cc(CN2CC[NH+]([C@@H]3CCN(C4CC4)C3=O)CC2)no1 ZINC000328642601 159016830 /nfs/dbraw/zinc/01/68/30/159016830.db2.gz GBHRDHGYUYXHRH-OAHLLOKOSA-N 1 2 304.394 0.864 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(S(=O)(=O)C[C@@H]3CCCCO3)C[C@H]21 ZINC000328812869 159031278 /nfs/dbraw/zinc/03/12/78/159031278.db2.gz BOGZCUGRARYSBR-BFHYXJOUSA-N 1 2 318.439 0.290 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(S(=O)(=O)C[C@@H]3CCCCO3)C[C@H]21 ZINC000328812869 159031280 /nfs/dbraw/zinc/03/12/80/159031280.db2.gz BOGZCUGRARYSBR-BFHYXJOUSA-N 1 2 318.439 0.290 10 0 DCAELO CCC(=O)N1CCC[C@H](C(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)C1 ZINC000328902153 159039251 /nfs/dbraw/zinc/03/92/51/159039251.db2.gz GGXHQUAXBIVESS-RRFJBIMHSA-N 1 2 323.437 0.567 10 0 DCAELO CCC(=O)N1CCC[C@H](C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)C1 ZINC000328902153 159039253 /nfs/dbraw/zinc/03/92/53/159039253.db2.gz GGXHQUAXBIVESS-RRFJBIMHSA-N 1 2 323.437 0.567 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)CCOC[C@H]3CCCO3)C[C@H]21 ZINC000328914432 159041322 /nfs/dbraw/zinc/04/13/22/159041322.db2.gz QEGMQEKWAWNOMG-RBSFLKMASA-N 1 2 312.410 0.504 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)CCOC[C@H]3CCCO3)C[C@H]21 ZINC000328914432 159041324 /nfs/dbraw/zinc/04/13/24/159041324.db2.gz QEGMQEKWAWNOMG-RBSFLKMASA-N 1 2 312.410 0.504 10 0 DCAELO COc1cccc(CC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC000328958016 159046872 /nfs/dbraw/zinc/04/68/72/159046872.db2.gz OHEDAMWFCVBYCT-UONOGXRCSA-N 1 2 305.378 0.564 10 0 DCAELO COc1cccc(CC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000328958016 159046873 /nfs/dbraw/zinc/04/68/73/159046873.db2.gz OHEDAMWFCVBYCT-UONOGXRCSA-N 1 2 305.378 0.564 10 0 DCAELO CN(C)c1cnc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)cn1 ZINC000329152202 159067754 /nfs/dbraw/zinc/06/77/54/159067754.db2.gz ANBFLXPFYHKAND-STQMWFEESA-N 1 2 305.382 0.088 10 0 DCAELO CN(C)c1cnc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)cn1 ZINC000329152202 159067756 /nfs/dbraw/zinc/06/77/56/159067756.db2.gz ANBFLXPFYHKAND-STQMWFEESA-N 1 2 305.382 0.088 10 0 DCAELO C[C@@H](CNC(=O)c1ccc2nccnc2n1)[NH+]1CCOCC1 ZINC000329267764 159077191 /nfs/dbraw/zinc/07/71/91/159077191.db2.gz GKUNCAXABAWBAD-NSHDSACASA-N 1 2 301.350 0.475 10 0 DCAELO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N2C)C1 ZINC000329377970 159087011 /nfs/dbraw/zinc/08/70/11/159087011.db2.gz MFXNXZPGELJUNM-QWHCGFSZSA-N 1 2 304.394 0.822 10 0 DCAELO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC000329383015 159087302 /nfs/dbraw/zinc/08/73/02/159087302.db2.gz OSUXSQKXNPGVIG-XQQFMLRXSA-N 1 2 314.451 0.752 10 0 DCAELO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC000329383015 159087305 /nfs/dbraw/zinc/08/73/05/159087305.db2.gz OSUXSQKXNPGVIG-XQQFMLRXSA-N 1 2 314.451 0.752 10 0 DCAELO CO[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C[C@@H]1OC ZINC000329526318 159100117 /nfs/dbraw/zinc/10/01/17/159100117.db2.gz SXOLPEWBPHMBTG-SOUVJXGZSA-N 1 2 312.410 0.360 10 0 DCAELO CO[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C[C@@H]1OC ZINC000329526318 159100119 /nfs/dbraw/zinc/10/01/19/159100119.db2.gz SXOLPEWBPHMBTG-SOUVJXGZSA-N 1 2 312.410 0.360 10 0 DCAELO NS(=O)(=O)[C@H]1CCC[N@H+](Cc2nc3cccnc3s2)C1 ZINC000329573607 159104183 /nfs/dbraw/zinc/10/41/83/159104183.db2.gz JKKUEXVWIPUYFR-VIFPVBQESA-N 1 2 312.420 0.944 10 0 DCAELO NS(=O)(=O)[C@H]1CCC[N@@H+](Cc2nc3cccnc3s2)C1 ZINC000329573607 159104184 /nfs/dbraw/zinc/10/41/84/159104184.db2.gz JKKUEXVWIPUYFR-VIFPVBQESA-N 1 2 312.420 0.944 10 0 DCAELO Cc1cccc2nc(C[N@@H+]3CCO[C@@]4(CCOC4)C3)cc(=O)n12 ZINC000329886591 159126047 /nfs/dbraw/zinc/12/60/47/159126047.db2.gz WIAUJQQYIAPNLO-KRWDZBQOSA-N 1 2 315.373 0.994 10 0 DCAELO Cc1cccc2nc(C[N@H+]3CCO[C@@]4(CCOC4)C3)cc(=O)n12 ZINC000329886591 159126048 /nfs/dbraw/zinc/12/60/48/159126048.db2.gz WIAUJQQYIAPNLO-KRWDZBQOSA-N 1 2 315.373 0.994 10 0 DCAELO COc1ccncc1C[N@@H+]1CC[C@]2(C1)NC(=O)N(C(C)C)C2=O ZINC000367750795 159354459 /nfs/dbraw/zinc/35/44/59/159354459.db2.gz BZXCTHLMQTXLFG-MRXNPFEDSA-N 1 2 318.377 0.995 10 0 DCAELO COc1ccncc1C[N@H+]1CC[C@]2(C1)NC(=O)N(C(C)C)C2=O ZINC000367750795 159354462 /nfs/dbraw/zinc/35/44/62/159354462.db2.gz BZXCTHLMQTXLFG-MRXNPFEDSA-N 1 2 318.377 0.995 10 0 DCAELO CC(C)C(=O)N[C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000407979071 160001841 /nfs/dbraw/zinc/00/18/41/160001841.db2.gz OLOMLELGCMRLBK-KGLIPLIRSA-N 1 2 311.426 0.470 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)CNC(=O)CC(C)(C)C)C[C@@H]21 ZINC000408022621 160013484 /nfs/dbraw/zinc/01/34/84/160013484.db2.gz MFGASOPGGZFUNE-STQMWFEESA-N 1 2 311.426 0.470 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)CNC(=O)CC(C)(C)C)C[C@@H]21 ZINC000408022621 160013485 /nfs/dbraw/zinc/01/34/85/160013485.db2.gz MFGASOPGGZFUNE-STQMWFEESA-N 1 2 311.426 0.470 10 0 DCAELO C[C@H](CCNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1)[S@@](C)=O ZINC000408023922 160014812 /nfs/dbraw/zinc/01/48/12/160014812.db2.gz WMGVBRUFXHSFFS-FTWIIGPWSA-N 1 2 317.455 0.258 10 0 DCAELO C[C@H](CCNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1)[S@@](C)=O ZINC000408023922 160014814 /nfs/dbraw/zinc/01/48/14/160014814.db2.gz WMGVBRUFXHSFFS-FTWIIGPWSA-N 1 2 317.455 0.258 10 0 DCAELO CC(=O)N1CCC[C@](O)(C(=O)NCc2cn3c([nH+]2)CCCC3)C1 ZINC000408046172 160022041 /nfs/dbraw/zinc/02/20/41/160022041.db2.gz AZQTYTNIQZNOGX-MRXNPFEDSA-N 1 2 320.393 0.209 10 0 DCAELO O=C(C[N@H+]1C[C@@H](F)C[C@H]1CO)N1CCO[C@H]2CCCC[C@@H]21 ZINC000408047155 160023176 /nfs/dbraw/zinc/02/31/76/160023176.db2.gz OIVDKBFMYSZADU-XUXIUFHCSA-N 1 2 300.374 0.561 10 0 DCAELO O=C(C[N@@H+]1C[C@@H](F)C[C@H]1CO)N1CCO[C@H]2CCCC[C@@H]21 ZINC000408047155 160023177 /nfs/dbraw/zinc/02/31/77/160023177.db2.gz OIVDKBFMYSZADU-XUXIUFHCSA-N 1 2 300.374 0.561 10 0 DCAELO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)o1 ZINC000408099964 160035527 /nfs/dbraw/zinc/03/55/27/160035527.db2.gz ZRRCKYRVSSQGEF-GHMZBOCLSA-N 1 2 302.396 0.664 10 0 DCAELO Cc1ccc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)o1 ZINC000408099964 160035530 /nfs/dbraw/zinc/03/55/30/160035530.db2.gz ZRRCKYRVSSQGEF-GHMZBOCLSA-N 1 2 302.396 0.664 10 0 DCAELO Cc1nc(N2CCC[C@@H]2CS(N)(=O)=O)c2c([nH+]1)CCCC2 ZINC000408175489 160052670 /nfs/dbraw/zinc/05/26/70/160052670.db2.gz ZQFOHLMOEPLJTQ-LLVKDONJSA-N 1 2 310.423 0.921 10 0 DCAELO O=C(c1ccnc(C2CC2)n1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000408232159 160064614 /nfs/dbraw/zinc/06/46/14/160064614.db2.gz RRRPXKCLLVQHRQ-CYBMUJFWSA-N 1 2 302.378 0.901 10 0 DCAELO C[C@@H]1[C@H](C)N(S(=O)(=O)c2c(Cl)cnn2C)CC[N@H+]1C ZINC000408381996 160096807 /nfs/dbraw/zinc/09/68/07/160096807.db2.gz AZIGXJMVLBGHDB-BDAKNGLRSA-N 1 2 306.819 0.787 10 0 DCAELO C[C@@H]1[C@H](C)N(S(=O)(=O)c2c(Cl)cnn2C)CC[N@@H+]1C ZINC000408381996 160096809 /nfs/dbraw/zinc/09/68/09/160096809.db2.gz AZIGXJMVLBGHDB-BDAKNGLRSA-N 1 2 306.819 0.787 10 0 DCAELO Cc1nc2cncc(N3CC[NH+]([C@H](C)C(=O)N(C)C)CC3)n2n1 ZINC000408403218 160101350 /nfs/dbraw/zinc/10/13/50/160101350.db2.gz UCVWFMUGSKDILL-LLVKDONJSA-N 1 2 317.397 0.031 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)N2CCCCC2)C[C@H]1C ZINC000408433067 160107041 /nfs/dbraw/zinc/10/70/41/160107041.db2.gz KGRQTZMUGKKVMN-OLZOCXBDSA-N 1 2 305.444 0.104 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)N2CCCCC2)C[C@H]1C ZINC000408433067 160107043 /nfs/dbraw/zinc/10/70/43/160107043.db2.gz KGRQTZMUGKKVMN-OLZOCXBDSA-N 1 2 305.444 0.104 10 0 DCAELO CN(C)C(=O)C1CC[NH+](CC(=O)N(C)CC(F)(F)F)CC1 ZINC000079852088 286925498 /nfs/dbraw/zinc/92/54/98/286925498.db2.gz IIHLHJKMOQZUDM-UHFFFAOYSA-N 1 2 309.332 0.807 10 0 DCAELO Cc1ccccc1Cc1nnn(C[C@@H](O)C[NH+]2CCOCC2)n1 ZINC000193395632 287060860 /nfs/dbraw/zinc/06/08/60/287060860.db2.gz CJIAIMPXMRGWFN-HNNXBMFYSA-N 1 2 317.393 0.265 10 0 DCAELO CNC(=O)[C@@H]1CCCC[N@@H+]1CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000245893150 287074138 /nfs/dbraw/zinc/07/41/38/287074138.db2.gz GXIYXTOMILLBAI-ILXRZTDVSA-N 1 2 323.437 0.757 10 0 DCAELO CNC(=O)[C@@H]1CCCC[N@H+]1CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000245893150 287074139 /nfs/dbraw/zinc/07/41/39/287074139.db2.gz GXIYXTOMILLBAI-ILXRZTDVSA-N 1 2 323.437 0.757 10 0 DCAELO CC[C@H]1CN(S(=O)(=O)N2CCC[C@H]2C)CC[N@@H+]1CCOC ZINC000248711301 287100055 /nfs/dbraw/zinc/10/00/55/287100055.db2.gz MVXHOXXBOABIOH-KGLIPLIRSA-N 1 2 319.471 0.758 10 0 DCAELO CC[C@H]1CN(S(=O)(=O)N2CCC[C@H]2C)CC[N@H+]1CCOC ZINC000248711301 287100058 /nfs/dbraw/zinc/10/00/58/287100058.db2.gz MVXHOXXBOABIOH-KGLIPLIRSA-N 1 2 319.471 0.758 10 0 DCAELO CC[S@](=O)c1ccccc1C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000249958360 287118707 /nfs/dbraw/zinc/11/87/07/287118707.db2.gz JJTXGDPCLXHXEQ-XMHCIUCPSA-N 1 2 324.446 0.953 10 0 DCAELO CC[S@](=O)c1ccccc1C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000249958360 287118709 /nfs/dbraw/zinc/11/87/09/287118709.db2.gz JJTXGDPCLXHXEQ-XMHCIUCPSA-N 1 2 324.446 0.953 10 0 DCAELO CCOCC[N@H+]1CCN(S(=O)(=O)N(C)C(C)C)C[C@H]1C ZINC000247272082 685171226 /nfs/dbraw/zinc/17/12/26/685171226.db2.gz ZOFIVZQGFYVUFY-CYBMUJFWSA-N 1 2 307.460 0.614 10 0 DCAELO OCCO[C@H]1CCCN(c2cc(N3CCC[C@H]3CO)nc[nH+]2)C1 ZINC000265260180 415125504 /nfs/dbraw/zinc/12/55/04/415125504.db2.gz YFOWVUIBYSNGHV-KBPBESRZSA-N 1 2 322.409 0.415 10 0 DCAELO OCCO[C@H]1CCCN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)C1 ZINC000265260180 415125509 /nfs/dbraw/zinc/12/55/09/415125509.db2.gz YFOWVUIBYSNGHV-KBPBESRZSA-N 1 2 322.409 0.415 10 0 DCAELO CCOCC[N@@H+]1CCN(Cc2cc(=O)n3[nH]ccc3n2)C[C@H]1C ZINC000343034134 415415636 /nfs/dbraw/zinc/41/56/36/415415636.db2.gz MIYRHWGLGOODFC-CYBMUJFWSA-N 1 2 319.409 0.565 10 0 DCAELO CCOCC[N@H+]1CCN(Cc2cc(=O)n3[nH]ccc3n2)C[C@H]1C ZINC000343034134 415415643 /nfs/dbraw/zinc/41/56/43/415415643.db2.gz MIYRHWGLGOODFC-CYBMUJFWSA-N 1 2 319.409 0.565 10 0 DCAELO CCC(=O)N1CC[C@H](NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)C1 ZINC000332752835 415463387 /nfs/dbraw/zinc/46/33/87/415463387.db2.gz GQVHGSQAEKPOLL-MELADBBJSA-N 1 2 324.425 0.112 10 0 DCAELO CCC(=O)N1CC[C@H](NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)C1 ZINC000332752835 415463391 /nfs/dbraw/zinc/46/33/91/415463391.db2.gz GQVHGSQAEKPOLL-MELADBBJSA-N 1 2 324.425 0.112 10 0 DCAELO CC(=O)N[C@H](C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1)C1CCCC1 ZINC000332758749 415466111 /nfs/dbraw/zinc/46/61/11/415466111.db2.gz OKMMGKXGUMCBIF-XHSDSOJGSA-N 1 2 323.437 0.613 10 0 DCAELO CC(=O)N[C@H](C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1)C1CCCC1 ZINC000332758749 415466121 /nfs/dbraw/zinc/46/61/21/415466121.db2.gz OKMMGKXGUMCBIF-XHSDSOJGSA-N 1 2 323.437 0.613 10 0 DCAELO COCC[N@H+](CC(F)F)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000085793275 415505386 /nfs/dbraw/zinc/50/53/86/415505386.db2.gz NYQSGDSDDBLPAA-NSHDSACASA-N 1 2 314.398 0.872 10 0 DCAELO COCC[N@@H+](CC(F)F)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000085793275 415505392 /nfs/dbraw/zinc/50/53/92/415505392.db2.gz NYQSGDSDDBLPAA-NSHDSACASA-N 1 2 314.398 0.872 10 0 DCAELO O=C(N[C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000333003454 415527794 /nfs/dbraw/zinc/52/77/94/415527794.db2.gz IZLNHNCDVUSHAN-VXGBXAGGSA-N 1 2 312.395 0.244 10 0 DCAELO COc1cc(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)ncn1 ZINC000285897348 415620814 /nfs/dbraw/zinc/62/08/14/415620814.db2.gz JNYWSVSETNEDNP-WDEREUQCSA-N 1 2 307.354 0.422 10 0 DCAELO COc1cc(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)ncn1 ZINC000285897348 415620818 /nfs/dbraw/zinc/62/08/18/415620818.db2.gz JNYWSVSETNEDNP-WDEREUQCSA-N 1 2 307.354 0.422 10 0 DCAELO CCC(=O)N[C@@H]1CCCN(C(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000105279260 415631055 /nfs/dbraw/zinc/63/10/55/415631055.db2.gz ZJXQITHXQNMBBB-OLZOCXBDSA-N 1 2 312.414 0.017 10 0 DCAELO CCC(=O)N[C@@H]1CCCN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000105279260 415631059 /nfs/dbraw/zinc/63/10/59/415631059.db2.gz ZJXQITHXQNMBBB-OLZOCXBDSA-N 1 2 312.414 0.017 10 0 DCAELO CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000106817324 415649462 /nfs/dbraw/zinc/64/94/62/415649462.db2.gz QCOBMFVGNFKXCR-LSDHHAIUSA-N 1 2 324.469 0.386 10 0 DCAELO Cc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000333273382 415597652 /nfs/dbraw/zinc/59/76/52/415597652.db2.gz NZTVBALKXNXGIT-RYUDHWBXSA-N 1 2 308.386 0.051 10 0 DCAELO Cc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000333273382 415597658 /nfs/dbraw/zinc/59/76/58/415597658.db2.gz NZTVBALKXNXGIT-RYUDHWBXSA-N 1 2 308.386 0.051 10 0 DCAELO O=C(NCC1([NH+]2CCOCC2)CC1)N1CCc2cncnc2C1 ZINC000333454637 415655324 /nfs/dbraw/zinc/65/53/24/415655324.db2.gz OJFXADAKIWKVPX-UHFFFAOYSA-N 1 2 317.393 0.409 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(-c3ncon3)cc2)C1 ZINC000107237218 415659793 /nfs/dbraw/zinc/65/97/93/415659793.db2.gz PYNDSZQUMKXRHZ-ZDUSSCGKSA-N 1 2 302.334 0.797 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(-c3ncon3)cc2)C1 ZINC000107237218 415659797 /nfs/dbraw/zinc/65/97/97/415659797.db2.gz PYNDSZQUMKXRHZ-ZDUSSCGKSA-N 1 2 302.334 0.797 10 0 DCAELO C[C@@H]1C[C@@H](S(=O)(=O)NCC[N@@H+]2CCOCC2(C)C)CCO1 ZINC000333492955 415668063 /nfs/dbraw/zinc/66/80/63/415668063.db2.gz ZRSNIHJSCCYPHX-OLZOCXBDSA-N 1 2 320.455 0.584 10 0 DCAELO C[C@@H]1C[C@@H](S(=O)(=O)NCC[N@H+]2CCOCC2(C)C)CCO1 ZINC000333492955 415668069 /nfs/dbraw/zinc/66/80/69/415668069.db2.gz ZRSNIHJSCCYPHX-OLZOCXBDSA-N 1 2 320.455 0.584 10 0 DCAELO O=C(NCCNc1cc(N2CCC[C@H]2CO)nc[nH+]1)C1CC1 ZINC000112077271 415706246 /nfs/dbraw/zinc/70/62/46/415706246.db2.gz DDLHZZKPIOZSMX-LBPRGKRZSA-N 1 2 305.382 0.376 10 0 DCAELO O=C(NCCNc1cc(N2CCC[C@H]2CO)[nH+]cn1)C1CC1 ZINC000112077271 415706252 /nfs/dbraw/zinc/70/62/52/415706252.db2.gz DDLHZZKPIOZSMX-LBPRGKRZSA-N 1 2 305.382 0.376 10 0 DCAELO COc1c(C[N@@H+]2CCO[C@@H](Cn3cccn3)C2)c(C)nn1C ZINC000122262087 415829567 /nfs/dbraw/zinc/82/95/67/415829567.db2.gz WHRMCQHYZKAWJC-CYBMUJFWSA-N 1 2 305.382 0.835 10 0 DCAELO COc1c(C[N@H+]2CCO[C@@H](Cn3cccn3)C2)c(C)nn1C ZINC000122262087 415829571 /nfs/dbraw/zinc/82/95/71/415829571.db2.gz WHRMCQHYZKAWJC-CYBMUJFWSA-N 1 2 305.382 0.835 10 0 DCAELO CCn1cc(C(=O)C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cn1 ZINC000121420328 415803282 /nfs/dbraw/zinc/80/32/82/415803282.db2.gz LJBSRSZIFDQJLD-CYBMUJFWSA-N 1 2 301.350 0.973 10 0 DCAELO Cn1cc(Br)cc1C[N@H+](C)CC(=O)NC(N)=O ZINC000151560902 415966579 /nfs/dbraw/zinc/96/65/79/415966579.db2.gz ZQKPJKWQRJBFGI-UHFFFAOYSA-N 1 2 303.160 0.414 10 0 DCAELO Cn1cc(Br)cc1C[N@@H+](C)CC(=O)NC(N)=O ZINC000151560902 415966583 /nfs/dbraw/zinc/96/65/83/415966583.db2.gz ZQKPJKWQRJBFGI-UHFFFAOYSA-N 1 2 303.160 0.414 10 0 DCAELO COC(=O)[C@H](c1cccnc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000153558848 415982078 /nfs/dbraw/zinc/98/20/78/415982078.db2.gz DYWAXQLFOVHSPO-GJZGRUSLSA-N 1 2 305.378 0.702 10 0 DCAELO CC(=O)N1CSC[C@@H]1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000132423300 415933313 /nfs/dbraw/zinc/93/33/13/415933313.db2.gz GXYGVYIFFJNGEL-CYBMUJFWSA-N 1 2 320.418 0.652 10 0 DCAELO Cc1c([C@H](C)NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cnn1C ZINC000173787432 416066154 /nfs/dbraw/zinc/06/61/54/416066154.db2.gz IKPOCFSIJHIQCA-JSGCOSHPSA-N 1 2 321.425 0.906 10 0 DCAELO CC(C)N1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1=O ZINC000173893312 416067001 /nfs/dbraw/zinc/06/70/01/416067001.db2.gz HXQKHKOATCZUMG-KBPBESRZSA-N 1 2 324.425 0.112 10 0 DCAELO C[C@H]1CN(C(=O)C[NH+]2CCN(c3cccnn3)CC2)C[C@H](C)O1 ZINC000170650023 416027192 /nfs/dbraw/zinc/02/71/92/416027192.db2.gz GOCOJRCXBYXKRY-KBPBESRZSA-N 1 2 319.409 0.234 10 0 DCAELO Cc1[nH+]c2ccccc2n1CCC(=O)N[C@@H]1CN(C)NC1=O ZINC000357460093 416083865 /nfs/dbraw/zinc/08/38/65/416083865.db2.gz QDYIRQARKDBYHR-GFCCVEGCSA-N 1 2 301.350 0.196 10 0 DCAELO CC(C)OCCS(=O)(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000175137463 416097820 /nfs/dbraw/zinc/09/78/20/416097820.db2.gz MQZLBESOFBEDIT-CYBMUJFWSA-N 1 2 306.428 0.148 10 0 DCAELO CC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@](O)(CO)C2)cc1 ZINC000313630978 416106911 /nfs/dbraw/zinc/10/69/11/416106911.db2.gz PWHQOIRCSILKOT-MRXNPFEDSA-N 1 2 306.362 0.647 10 0 DCAELO CC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@](O)(CO)C2)cc1 ZINC000313630978 416106917 /nfs/dbraw/zinc/10/69/17/416106917.db2.gz PWHQOIRCSILKOT-MRXNPFEDSA-N 1 2 306.362 0.647 10 0 DCAELO CC(C)Cn1cc[nH+]c1CNC(=O)[C@H](C)NS(C)(=O)=O ZINC000175925822 416115666 /nfs/dbraw/zinc/11/56/66/416115666.db2.gz RCURCKIXTDTSLI-JTQLQIEISA-N 1 2 302.400 0.093 10 0 DCAELO CSc1ccc(C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)o1 ZINC000176481436 416126842 /nfs/dbraw/zinc/12/68/42/416126842.db2.gz TWDSMCBDAYJBLY-AWEZNQCLSA-N 1 2 314.407 0.815 10 0 DCAELO COC[C@H](C)S(=O)(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000176993141 416137740 /nfs/dbraw/zinc/13/77/40/416137740.db2.gz SPHIDWJBGQSTFM-AVGNSLFASA-N 1 2 306.428 0.004 10 0 DCAELO C[C@@H]1CN(CC(=O)N(C)CC(F)(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC000177234642 416142220 /nfs/dbraw/zinc/14/22/20/416142220.db2.gz DDJBNFJSXIXZJS-NEPJUHHUSA-N 1 2 323.359 0.660 10 0 DCAELO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1CO)Nc1ccccc1OC(F)F ZINC000179170042 416183362 /nfs/dbraw/zinc/18/33/62/416183362.db2.gz UTWZOPAOIBTLTR-ZJUUUORDSA-N 1 2 316.304 0.654 10 0 DCAELO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1CO)Nc1ccccc1OC(F)F ZINC000179170042 416183365 /nfs/dbraw/zinc/18/33/65/416183365.db2.gz UTWZOPAOIBTLTR-ZJUUUORDSA-N 1 2 316.304 0.654 10 0 DCAELO Cn1ncc2c1[nH]cc(C(=O)N1CCC[N@@H+](C3CC3)CC1)c2=O ZINC000181878978 416211621 /nfs/dbraw/zinc/21/16/21/416211621.db2.gz LGRYXICQQLTPIL-UHFFFAOYSA-N 1 2 315.377 0.984 10 0 DCAELO Cn1ncc2c1[nH]cc(C(=O)N1CCC[N@H+](C3CC3)CC1)c2=O ZINC000181878978 416211622 /nfs/dbraw/zinc/21/16/22/416211622.db2.gz LGRYXICQQLTPIL-UHFFFAOYSA-N 1 2 315.377 0.984 10 0 DCAELO O=S(=O)(CC1CCCC1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000178344639 416162372 /nfs/dbraw/zinc/16/23/72/416162372.db2.gz VCSVCNUAGJZUBP-CQSZACIVSA-N 1 2 302.440 0.959 10 0 DCAELO O=S(=O)(CC1CCCC1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000178344639 416162374 /nfs/dbraw/zinc/16/23/74/416162374.db2.gz VCSVCNUAGJZUBP-CQSZACIVSA-N 1 2 302.440 0.959 10 0 DCAELO Cn1cnc(-c2ccc(C(=O)NC[C@H]3C[N@H+](C)CCO3)cc2)n1 ZINC000183521717 416243881 /nfs/dbraw/zinc/24/38/81/416243881.db2.gz XNQBLIKSEATBQJ-AWEZNQCLSA-N 1 2 315.377 0.543 10 0 DCAELO Cn1cnc(-c2ccc(C(=O)NC[C@H]3C[N@@H+](C)CCO3)cc2)n1 ZINC000183521717 416243885 /nfs/dbraw/zinc/24/38/85/416243885.db2.gz XNQBLIKSEATBQJ-AWEZNQCLSA-N 1 2 315.377 0.543 10 0 DCAELO CCN1C[C@@H](C(=O)N2CCN(C)[C@@H](c3[nH]cc[nH+]3)C2)CC1=O ZINC000583621039 416480703 /nfs/dbraw/zinc/48/07/03/416480703.db2.gz OWRVDDFLDDSDCE-NWDGAFQWSA-N 1 2 305.382 0.093 10 0 DCAELO COC(=O)[C@](C)([NH2+]C[C@H](O)COC[C@@H]1CCCO1)C1CC1 ZINC000536605959 416545753 /nfs/dbraw/zinc/54/57/53/416545753.db2.gz VDSOXJQLJXQAQN-KCQAQPDRSA-N 1 2 301.383 0.474 10 0 DCAELO COCCN(C(C)=O)c1nc(C[N@H+](C)CCCO)cs1 ZINC000440954754 416654960 /nfs/dbraw/zinc/65/49/60/416654960.db2.gz WWCCAHCRMDSBCE-UHFFFAOYSA-N 1 2 301.412 0.957 10 0 DCAELO COCCN(C(C)=O)c1nc(C[N@@H+](C)CCCO)cs1 ZINC000440954754 416654963 /nfs/dbraw/zinc/65/49/63/416654963.db2.gz WWCCAHCRMDSBCE-UHFFFAOYSA-N 1 2 301.412 0.957 10 0 DCAELO C[C@@H]1CN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC(=O)N1C ZINC000368521609 416665867 /nfs/dbraw/zinc/66/58/67/416665867.db2.gz HEKLVUJKSYMAPA-OLZOCXBDSA-N 1 2 317.393 0.532 10 0 DCAELO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CC(=O)NC(=O)NC1CC1 ZINC000615632681 416873855 /nfs/dbraw/zinc/87/38/55/416873855.db2.gz VKPFOZYPGHNGJJ-XWIASGKRSA-N 1 2 309.366 0.248 10 0 DCAELO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CC(=O)NC(=O)NC1CC1 ZINC000615632681 416873863 /nfs/dbraw/zinc/87/38/63/416873863.db2.gz VKPFOZYPGHNGJJ-XWIASGKRSA-N 1 2 309.366 0.248 10 0 DCAELO OC[C@H]1C[C@H](O)CN1c1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000624070007 416950079 /nfs/dbraw/zinc/95/00/79/416950079.db2.gz BSBWYXNLHXOZJT-CABCVRRESA-N 1 2 312.373 0.929 10 0 DCAELO CC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)C1 ZINC000374380004 416980378 /nfs/dbraw/zinc/98/03/78/416980378.db2.gz YYVIEVOXPIZTET-HZPDHXFCSA-N 1 2 316.405 0.813 10 0 DCAELO Cc1cc(S(=O)(=O)N2CC[N@@H+](C)C[C@H]2CO)c(C)s1 ZINC000632577016 417175044 /nfs/dbraw/zinc/17/50/44/417175044.db2.gz IRQXIARPWUTPJT-NSHDSACASA-N 1 2 304.437 0.662 10 0 DCAELO Cc1cc(S(=O)(=O)N2CC[N@H+](C)C[C@H]2CO)c(C)s1 ZINC000632577016 417175051 /nfs/dbraw/zinc/17/50/51/417175051.db2.gz IRQXIARPWUTPJT-NSHDSACASA-N 1 2 304.437 0.662 10 0 DCAELO Cc1csc(S(=O)(=O)N2CC[NH+](CCCO)CC2)c1 ZINC000451380291 417339637 /nfs/dbraw/zinc/33/96/37/417339637.db2.gz VZHUXVDDTPOSIG-UHFFFAOYSA-N 1 2 304.437 0.745 10 0 DCAELO CCOC(=O)[C@H]1CN(C(=O)NCCn2cc[nH+]c2)CC12COC2 ZINC000454620491 417571628 /nfs/dbraw/zinc/57/16/28/417571628.db2.gz OPWZIEXSTRIAKC-GFCCVEGCSA-N 1 2 322.365 0.104 10 0 DCAELO CN(Cc1nnnn1C)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000531821129 417641612 /nfs/dbraw/zinc/64/16/12/417641612.db2.gz PWEZPJNHPALUFB-UHFFFAOYSA-N 1 2 311.349 0.727 10 0 DCAELO Cc1nc(C[NH+]2CCC([C@@H](O)C(N)=O)CC2)nc2ccccc12 ZINC000299753561 229399132 /nfs/dbraw/zinc/39/91/32/229399132.db2.gz YPULVMUJZDPZMJ-MRXNPFEDSA-N 1 2 314.389 0.996 10 0 DCAELO CCC[C@H](C(=O)OCC)[N@@H+]1CCCN(CCOC)C(=O)C1 ZINC000190787730 261135339 /nfs/dbraw/zinc/13/53/39/261135339.db2.gz SXAOZBJHNMRHQL-CYBMUJFWSA-N 1 2 300.399 0.899 10 0 DCAELO CCC[C@H](C(=O)OCC)[N@H+]1CCCN(CCOC)C(=O)C1 ZINC000190787730 261135340 /nfs/dbraw/zinc/13/53/40/261135340.db2.gz SXAOZBJHNMRHQL-CYBMUJFWSA-N 1 2 300.399 0.899 10 0 DCAELO CC(C)(C)c1nnsc1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000191459874 261137651 /nfs/dbraw/zinc/13/76/51/261137651.db2.gz LFBVJJHAKXEXKM-SNVBAGLBSA-N 1 2 309.439 0.565 10 0 DCAELO C[C@@H](CC(=O)NC[C@H]1C[N@H+](C)CCO1)NC(=O)c1ccccc1 ZINC000194616078 261146954 /nfs/dbraw/zinc/14/69/54/261146954.db2.gz XKVOLOCHUAKILZ-ZFWWWQNUSA-N 1 2 319.405 0.642 10 0 DCAELO C[C@@H](CC(=O)NC[C@H]1C[N@@H+](C)CCO1)NC(=O)c1ccccc1 ZINC000194616078 261146961 /nfs/dbraw/zinc/14/69/61/261146961.db2.gz XKVOLOCHUAKILZ-ZFWWWQNUSA-N 1 2 319.405 0.642 10 0 DCAELO O=C1Nc2ccccc2CC[C@H]1[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000361769977 261959577 /nfs/dbraw/zinc/95/95/77/261959577.db2.gz VEDQSZGRDCTKAF-GOEBONIOSA-N 1 2 301.390 0.956 10 0 DCAELO O=C1Nc2ccccc2CC[C@H]1[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000361769977 261959578 /nfs/dbraw/zinc/95/95/78/261959578.db2.gz VEDQSZGRDCTKAF-GOEBONIOSA-N 1 2 301.390 0.956 10 0 DCAELO O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CCN2CCOC[C@H]2C1 ZINC000363861461 262135010 /nfs/dbraw/zinc/13/50/10/262135010.db2.gz WSWPBVXRYILKND-CQSZACIVSA-N 1 2 313.361 0.424 10 0 DCAELO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N(C)CC1CC1 ZINC000460008605 272023795 /nfs/dbraw/zinc/02/37/95/272023795.db2.gz JLXFOWIVKSYOIF-UHFFFAOYSA-N 1 2 311.426 0.424 10 0 DCAELO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N(C)CC1CC1 ZINC000460008605 272023798 /nfs/dbraw/zinc/02/37/98/272023798.db2.gz JLXFOWIVKSYOIF-UHFFFAOYSA-N 1 2 311.426 0.424 10 0 DCAELO O=C(N[C@H]1CCn2cc[nH+]c2C1)N1CCSC[C@@H]1CCO ZINC000547680008 288068019 /nfs/dbraw/zinc/06/80/19/288068019.db2.gz UNUSYCPVBJKDEW-RYUDHWBXSA-N 1 2 310.423 0.707 10 0 DCAELO C[C@H](Cn1cccn1)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000552703339 288279204 /nfs/dbraw/zinc/27/92/04/288279204.db2.gz UAQFLSHUWNZLDR-LLVKDONJSA-N 1 2 312.333 0.674 10 0 DCAELO CC(C)NC(=O)CCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000552702331 288279221 /nfs/dbraw/zinc/27/92/21/288279221.db2.gz WUYBPVXIVAJBHJ-UHFFFAOYSA-N 1 2 317.349 0.304 10 0 DCAELO C[C@H](O)C[C@H](C)CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000553082627 288286194 /nfs/dbraw/zinc/28/61/94/288286194.db2.gz JOLAPDUUCPENMZ-QWRGUYRKSA-N 1 2 304.350 0.796 10 0 DCAELO CO[C@@H]1CC[C@H](NC(=O)C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000556654586 288380921 /nfs/dbraw/zinc/38/09/21/288380921.db2.gz IBCMJELEBVQOLE-QWHCGFSZSA-N 1 2 308.382 0.463 10 0 DCAELO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)COc1cnn(C)c1 ZINC000560740529 288517566 /nfs/dbraw/zinc/51/75/66/288517566.db2.gz ZFHKMBPMGWVXAG-STQMWFEESA-N 1 2 308.382 0.121 10 0 DCAELO C[C@H](NC(=O)NCc1cccnc1-n1cc[nH+]c1)C(=O)N(C)C ZINC000046098591 289874577 /nfs/dbraw/zinc/87/45/77/289874577.db2.gz IQCSVWSPZQUSED-NSHDSACASA-N 1 2 316.365 0.543 10 0 DCAELO CO[C@H](C)CS(=O)(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000249653487 294292773 /nfs/dbraw/zinc/29/27/73/294292773.db2.gz YWGARRGGYKQTSL-YNEHKIRRSA-N 1 2 306.428 0.004 10 0 DCAELO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000352093691 298121294 /nfs/dbraw/zinc/12/12/94/298121294.db2.gz SQLBGRWZNCWUQO-WOPDTQHZSA-N 1 2 312.414 0.014 10 0 DCAELO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000352093691 298121298 /nfs/dbraw/zinc/12/12/98/298121298.db2.gz SQLBGRWZNCWUQO-WOPDTQHZSA-N 1 2 312.414 0.014 10 0 DCAELO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1nnnn1CC(F)(F)F ZINC000190863096 300035786 /nfs/dbraw/zinc/03/57/86/300035786.db2.gz GLJPLXHIHGNOGC-JGVFFNPUSA-N 1 2 306.292 0.321 10 0 DCAELO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1nnnn1CC(F)(F)F ZINC000190863096 300035789 /nfs/dbraw/zinc/03/57/89/300035789.db2.gz GLJPLXHIHGNOGC-JGVFFNPUSA-N 1 2 306.292 0.321 10 0 DCAELO O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N[C@H]1CCCC[C@@H]1O ZINC000582158108 335128717 /nfs/dbraw/zinc/12/87/17/335128717.db2.gz XVGJNLDOCQMQHW-RYUDHWBXSA-N 1 2 302.334 0.693 10 0 DCAELO CC(C)[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)CCO1 ZINC000576425259 341845772 /nfs/dbraw/zinc/84/57/72/341845772.db2.gz IHDYFPHCLKBPCT-ZFWWWQNUSA-N 1 2 323.437 0.613 10 0 DCAELO Cc1cc(CC(=O)N(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)[nH]n1 ZINC000276660178 534148114 /nfs/dbraw/zinc/14/81/14/534148114.db2.gz YRJKYQHZXRVZII-HNNXBMFYSA-N 1 2 306.410 0.830 10 0 DCAELO Cc1cc(CC(=O)N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)[nH]n1 ZINC000276660178 534148125 /nfs/dbraw/zinc/14/81/25/534148125.db2.gz YRJKYQHZXRVZII-HNNXBMFYSA-N 1 2 306.410 0.830 10 0 DCAELO CCOCCCNC(=O)[C@@H](C)[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000105889919 521714412 /nfs/dbraw/zinc/71/44/12/521714412.db2.gz YQJCJEIKKDTHNL-CABCVRRESA-N 1 2 324.425 0.515 10 0 DCAELO CCOCCCNC(=O)[C@@H](C)[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000105889919 521714414 /nfs/dbraw/zinc/71/44/14/521714414.db2.gz YQJCJEIKKDTHNL-CABCVRRESA-N 1 2 324.425 0.515 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@](C)(O)c2ccsc2)C1 ZINC000126687785 523949057 /nfs/dbraw/zinc/94/90/57/523949057.db2.gz MIMROCVTOBZRQN-TZMCWYRMSA-N 1 2 313.423 0.585 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)NC[C@@](C)(O)c2ccsc2)C1 ZINC000126687785 523949062 /nfs/dbraw/zinc/94/90/62/523949062.db2.gz MIMROCVTOBZRQN-TZMCWYRMSA-N 1 2 313.423 0.585 10 0 DCAELO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@](O)(C(N)=O)C2)c1 ZINC000285254981 534891450 /nfs/dbraw/zinc/89/14/50/534891450.db2.gz ZGUDHQGWOPFQDT-HWPZZCPQSA-N 1 2 319.361 0.138 10 0 DCAELO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@](O)(C(N)=O)C2)c1 ZINC000285254981 534891452 /nfs/dbraw/zinc/89/14/52/534891452.db2.gz ZGUDHQGWOPFQDT-HWPZZCPQSA-N 1 2 319.361 0.138 10 0 DCAELO C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000246451139 526041769 /nfs/dbraw/zinc/04/17/69/526041769.db2.gz LNOPSXSJBHREGM-UMVBOHGHSA-N 1 2 323.437 0.956 10 0 DCAELO C[C@H](C(=O)NCCC1=CCCCC1)[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000246451139 526041777 /nfs/dbraw/zinc/04/17/77/526041777.db2.gz LNOPSXSJBHREGM-UMVBOHGHSA-N 1 2 323.437 0.956 10 0 DCAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1c(F)ccc(F)c1F ZINC000127314684 526572458 /nfs/dbraw/zinc/57/24/58/526572458.db2.gz LQKVEPYCOOSHGN-VIFPVBQESA-N 1 2 318.295 0.527 10 0 DCAELO Cc1nc(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c(=O)[nH]c1C ZINC000156535642 526644657 /nfs/dbraw/zinc/64/46/57/526644657.db2.gz NTCVXCYSWNJKRO-ZWNOBZJWSA-N 1 2 320.393 0.179 10 0 DCAELO Cc1nc(CN2CC[NH+](C[C@@H](C)CS(C)(=O)=O)CC2)no1 ZINC000119138082 526863906 /nfs/dbraw/zinc/86/39/06/526863906.db2.gz OLMKADSTSXVSND-LLVKDONJSA-N 1 2 316.427 0.176 10 0 DCAELO CC[N@H+](Cc1nnc(C)o1)[C@@H]1CN(c2nccc(C)n2)C[C@H]1O ZINC000328644553 528890871 /nfs/dbraw/zinc/89/08/71/528890871.db2.gz RUZZXMROIFUUDG-CHWSQXEVSA-N 1 2 318.381 0.548 10 0 DCAELO CC[N@@H+](Cc1nnc(C)o1)[C@@H]1CN(c2nccc(C)n2)C[C@H]1O ZINC000328644553 528890874 /nfs/dbraw/zinc/89/08/74/528890874.db2.gz RUZZXMROIFUUDG-CHWSQXEVSA-N 1 2 318.381 0.548 10 0 DCAELO CC(=O)[C@H](C)CCCCC(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000132908585 545795519 /nfs/dbraw/zinc/79/55/19/545795519.db2.gz BQXRBBRBTBYKFZ-UKRRQHHQSA-N 1 2 314.426 0.581 10 0 DCAELO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)CC[C@H]2CCCO2)CC1 ZINC000182403141 545905777 /nfs/dbraw/zinc/90/57/77/545905777.db2.gz GTDNGIMRMMBDPR-ZIAGYGMSSA-N 1 2 320.455 0.274 10 0 DCAELO C[C@H](CNC(=O)c1c[nH]c(=O)c2ccccc12)[NH+]1CCOCC1 ZINC000189506473 545920747 /nfs/dbraw/zinc/92/07/47/545920747.db2.gz RLPMFGKYXSIEBM-GFCCVEGCSA-N 1 2 315.373 0.979 10 0 DCAELO Cc1nc(N2CCOC[C@@H]2C(N)=O)c(Br)c(C)[nH+]1 ZINC000323189435 546037160 /nfs/dbraw/zinc/03/71/60/546037160.db2.gz MBZMRESZCAWVGT-MRVPVSSYSA-N 1 2 315.171 0.546 10 0 DCAELO CCC(=O)N1CSC[C@H]1C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000332754627 546059241 /nfs/dbraw/zinc/05/92/41/546059241.db2.gz FSSPRRAAXFIHKK-RYUDHWBXSA-N 1 2 315.439 0.135 10 0 DCAELO CO[C@H]1C[C@@H](C(=O)Nc2n[nH]c(-c3ccccn3)n2)[N@H+](C)C1 ZINC000671447831 547215258 /nfs/dbraw/zinc/21/52/58/547215258.db2.gz JDIFCILYUIJABY-ONGXEEELSA-N 1 2 302.338 0.524 10 0 DCAELO CO[C@H]1C[C@@H](C(=O)Nc2n[nH]c(-c3ccccn3)n2)[N@@H+](C)C1 ZINC000671447831 547215259 /nfs/dbraw/zinc/21/52/59/547215259.db2.gz JDIFCILYUIJABY-ONGXEEELSA-N 1 2 302.338 0.524 10 0 DCAELO CC(=O)N[C@H]1CCC[N@H+](CN2CC3(CC2=O)CCOCC3)C1 ZINC000176719468 658563541 /nfs/dbraw/zinc/56/35/41/658563541.db2.gz QQMDNGMLHNGQPX-AWEZNQCLSA-N 1 2 309.410 0.574 10 0 DCAELO CC(=O)N[C@H]1CCC[N@@H+](CN2CC3(CC2=O)CCOCC3)C1 ZINC000176719468 658563549 /nfs/dbraw/zinc/56/35/49/658563549.db2.gz QQMDNGMLHNGQPX-AWEZNQCLSA-N 1 2 309.410 0.574 10 0 DCAELO Cc1c(CC(=O)N2CCN(c3cccc[nH+]3)CC2)nc[nH]c1=O ZINC000222946642 664396585 /nfs/dbraw/zinc/39/65/85/664396585.db2.gz UKEYXDNPORTNBZ-UHFFFAOYSA-N 1 2 313.361 0.365 10 0 DCAELO CC[S@@](=O)CCNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000741421852 664838036 /nfs/dbraw/zinc/83/80/36/664838036.db2.gz 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CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC(=O)N3CCO[C@@H](C)C3)[C@@H]2C1 ZINC000246055812 685160337 /nfs/dbraw/zinc/16/03/37/685160337.db2.gz BCEZDGWEPAHNDB-YJNKXOJESA-N 1 2 312.410 0.502 10 0 DCAELO O=C1[C@@H]2CC=CC[C@H]2C(=O)N1C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000246836308 685167157 /nfs/dbraw/zinc/16/71/57/685167157.db2.gz DEDFHCRAAYWMGZ-RBSFLKMASA-N 1 2 319.405 0.302 10 0 DCAELO O=C1[C@@H]2CC=CC[C@H]2C(=O)N1C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000246836308 685167168 /nfs/dbraw/zinc/16/71/68/685167168.db2.gz DEDFHCRAAYWMGZ-RBSFLKMASA-N 1 2 319.405 0.302 10 0 DCAELO O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000246836308 685167173 /nfs/dbraw/zinc/16/71/73/685167173.db2.gz DEDFHCRAAYWMGZ-RBSFLKMASA-N 1 2 319.405 0.302 10 0 DCAELO CC(C)N1CCO[C@H](C[NH+]2CCN([C@H]3CCOC3=O)CC2)C1 ZINC000247021632 685168847 /nfs/dbraw/zinc/16/88/47/685168847.db2.gz CRKVRMCUNRERAG-CABCVRRESA-N 1 2 311.426 0.029 10 0 DCAELO CCOCC[N@@H+]1CCN(S(=O)(=O)N(C)C(C)C)C[C@H]1C ZINC000247272082 685171225 /nfs/dbraw/zinc/17/12/25/685171225.db2.gz ZOFIVZQGFYVUFY-CYBMUJFWSA-N 1 2 307.460 0.614 10 0 DCAELO C[NH+]1CCN(C(=O)C[N@H+](CCC(=O)[O-])Cc2ccccc2)CC1 ZINC000692444514 976481481 /nfs/dbraw/zinc/48/14/81/976481481.db2.gz DYVKNRVWUUPZLX-UHFFFAOYSA-N 1 2 319.405 0.737 10 0 DCAELO C[NH+]1CCN(C(=O)C[N@@H+](CCC(=O)[O-])Cc2ccccc2)CC1 ZINC000692444514 976481486 /nfs/dbraw/zinc/48/14/86/976481486.db2.gz DYVKNRVWUUPZLX-UHFFFAOYSA-N 1 2 319.405 0.737 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(OCC(F)F)ccn2)C1 ZINC000181547083 199314797 /nfs/dbraw/zinc/31/47/97/199314797.db2.gz MKXXNTOMRQNDGG-NSHDSACASA-N 1 2 315.320 0.786 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)c2cc(OCC(F)F)ccn2)C1 ZINC000181547083 199314799 /nfs/dbraw/zinc/31/47/99/199314799.db2.gz MKXXNTOMRQNDGG-NSHDSACASA-N 1 2 315.320 0.786 10 0 DCAELO CCC1(CC)CN(C(=O)[C@H]2CCC[N@@H+]2C)CCS1(=O)=O ZINC000408379881 282367022 /nfs/dbraw/zinc/36/70/22/282367022.db2.gz QHZHWLJEXFCOLY-GFCCVEGCSA-N 1 2 302.440 0.896 10 0 DCAELO CCC1(CC)CN(C(=O)[C@H]2CCC[N@H+]2C)CCS1(=O)=O ZINC000408379881 282367025 /nfs/dbraw/zinc/36/70/25/282367025.db2.gz QHZHWLJEXFCOLY-GFCCVEGCSA-N 1 2 302.440 0.896 10 0 DCAELO CC(C)(C)OC(=O)CNC(=O)C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000181853267 199362161 /nfs/dbraw/zinc/36/21/61/199362161.db2.gz ATMXYRJTFKMQIC-GFCCVEGCSA-N 1 2 323.397 0.373 10 0 DCAELO CC(C)(C)OC(=O)CNC(=O)C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000181853267 199362163 /nfs/dbraw/zinc/36/21/63/199362163.db2.gz ATMXYRJTFKMQIC-GFCCVEGCSA-N 1 2 323.397 0.373 10 0 DCAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)Nc1ccnc(Cl)c1 ZINC000181882474 186214542 /nfs/dbraw/zinc/21/45/42/186214542.db2.gz MLQWSDBHSGSUKK-LLVKDONJSA-N 1 2 314.773 0.550 10 0 DCAELO Cc1cnn([C@@H]2CCCN(C(=O)NC[C@H]3C[N@H+](C)CCO3)C2)c1 ZINC000171907379 198006467 /nfs/dbraw/zinc/00/64/67/198006467.db2.gz ULUNYDMBDRVHBI-CABCVRRESA-N 1 2 321.425 0.869 10 0 DCAELO Cc1cnn([C@@H]2CCCN(C(=O)NC[C@H]3C[N@@H+](C)CCO3)C2)c1 ZINC000171907379 198006468 /nfs/dbraw/zinc/00/64/68/198006468.db2.gz ULUNYDMBDRVHBI-CABCVRRESA-N 1 2 321.425 0.869 10 0 DCAELO OCCCSCCNc1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000172823282 198153521 /nfs/dbraw/zinc/15/35/21/198153521.db2.gz GBUGXUWQLVLTRE-GFCCVEGCSA-N 1 2 312.439 0.965 10 0 DCAELO OCCCSCCNc1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000172823282 198153522 /nfs/dbraw/zinc/15/35/22/198153522.db2.gz GBUGXUWQLVLTRE-GFCCVEGCSA-N 1 2 312.439 0.965 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNc2nccn(C)c2=O)nc[nH+]1 ZINC000174730762 198377439 /nfs/dbraw/zinc/37/74/39/198377439.db2.gz RVVUXDMUDCXQER-LLVKDONJSA-N 1 2 315.381 0.693 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3COCc4ccccc43)C[C@@H]21 ZINC000333509615 283003947 /nfs/dbraw/zinc/00/39/47/283003947.db2.gz IXBPBVWFELPXTF-OWCLPIDISA-N 1 2 317.389 0.982 10 0 DCAELO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3COCc4ccccc43)C[C@@H]21 ZINC000333509615 283003952 /nfs/dbraw/zinc/00/39/52/283003952.db2.gz IXBPBVWFELPXTF-OWCLPIDISA-N 1 2 317.389 0.982 10 0 DCAELO CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000081050615 192220596 /nfs/dbraw/zinc/22/05/96/192220596.db2.gz YCNGXNSPWHVFIT-NSHDSACASA-N 1 2 311.304 0.467 10 0 DCAELO CC(C)CNC(=O)NC(=O)C[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000081050615 192220600 /nfs/dbraw/zinc/22/06/00/192220600.db2.gz YCNGXNSPWHVFIT-NSHDSACASA-N 1 2 311.304 0.467 10 0 DCAELO Cc1conc1NC(=O)C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000180257952 199138191 /nfs/dbraw/zinc/13/81/91/199138191.db2.gz UNTDEHLBQWTQFG-PWSUYJOCSA-N 1 2 322.365 0.101 10 0 DCAELO CN(CC(=O)Nc1ccccc1)C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000188387544 200238144 /nfs/dbraw/zinc/23/81/44/200238144.db2.gz OKFVSHNBDXORSK-UHFFFAOYSA-N 1 2 313.361 0.766 10 0 DCAELO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cn2ccnc2s1 ZINC000188734109 200296509 /nfs/dbraw/zinc/29/65/09/200296509.db2.gz XUACJTHRDOXBJE-NSHDSACASA-N 1 2 324.406 0.161 10 0 DCAELO Cn1cc[nH+]c1[C@H]1CN(C(=O)NC[C@@H]2CCCCO2)CCN1C ZINC000275356034 212288647 /nfs/dbraw/zinc/28/86/47/212288647.db2.gz ISJJYFKAWNQCCD-UONOGXRCSA-N 1 2 321.425 0.987 10 0 DCAELO CN1CCN(c2cc(NC[C@@H]3CCCC[C@@H]3O)[nH+]cn2)CC1=O ZINC000274884467 212008924 /nfs/dbraw/zinc/00/89/24/212008924.db2.gz IENRGMBASMDSJM-STQMWFEESA-N 1 2 319.409 0.718 10 0 DCAELO CN1CCN(c2cc(NC[C@@H]3CCCC[C@@H]3O)nc[nH+]2)CC1=O ZINC000274884467 212008928 /nfs/dbraw/zinc/00/89/28/212008928.db2.gz IENRGMBASMDSJM-STQMWFEESA-N 1 2 319.409 0.718 10 0 DCAELO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)N2CCCC[C@@H]2C)CC1 ZINC000408440019 296186279 /nfs/dbraw/zinc/18/62/79/296186279.db2.gz XPIVWQQYGDDOEA-QWHCGFSZSA-N 1 2 305.444 0.104 10 0 DCAELO CCN(C)S(=O)(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000245462131 284357113 /nfs/dbraw/zinc/35/71/13/284357113.db2.gz NNLFPKLNBKIFJU-ZDUSSCGKSA-N 1 2 305.444 0.370 10 0 DCAELO NC(=S)c1ccc[nH+]c1NCc1ccc(S(N)(=O)=O)cc1 ZINC000019232251 182110174 /nfs/dbraw/zinc/11/01/74/182110174.db2.gz BKYDRGRYHHQEFT-UHFFFAOYSA-N 1 2 322.415 0.975 10 0 DCAELO O=C(c1ccc2c(c1)OCO2)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172742569 296238307 /nfs/dbraw/zinc/23/83/07/296238307.db2.gz UBSUTTIRZJXFJW-ZDUSSCGKSA-N 1 2 304.346 0.962 10 0 DCAELO O=C(c1cccc2c1OCO2)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172753346 296257043 /nfs/dbraw/zinc/25/70/43/296257043.db2.gz IBAYFVYBZOGDEI-GFCCVEGCSA-N 1 2 304.346 0.962 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000104799680 194041052 /nfs/dbraw/zinc/04/10/52/194041052.db2.gz XTIKMMQZIJNODK-CQSZACIVSA-N 1 2 319.409 0.244 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000104799680 194041055 /nfs/dbraw/zinc/04/10/55/194041055.db2.gz XTIKMMQZIJNODK-CQSZACIVSA-N 1 2 319.409 0.244 10 0 DCAELO CC[C@H](C(N)=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000105894463 194161068 /nfs/dbraw/zinc/16/10/68/194161068.db2.gz JMAJGUHCEXGGTA-GDBMZVCRSA-N 1 2 321.421 0.308 10 0 DCAELO CC[C@H](C(N)=O)[NH+]1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000105894463 194161070 /nfs/dbraw/zinc/16/10/70/194161070.db2.gz JMAJGUHCEXGGTA-GDBMZVCRSA-N 1 2 321.421 0.308 10 0 DCAELO CNC(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1ccnc2ccccc12 ZINC000065434144 184344191 /nfs/dbraw/zinc/34/41/91/184344191.db2.gz SKLAOSXLAPDPLQ-OAHLLOKOSA-N 1 2 312.373 0.671 10 0 DCAELO CNC(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccnc2ccccc12 ZINC000065434144 184344192 /nfs/dbraw/zinc/34/41/92/184344192.db2.gz SKLAOSXLAPDPLQ-OAHLLOKOSA-N 1 2 312.373 0.671 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)NCCc3ccccn3)C[C@H]21 ZINC000283936178 131034758 /nfs/dbraw/zinc/03/47/58/131034758.db2.gz JLNQLGJKBJEDKX-CABCVRRESA-N 1 2 304.394 0.739 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)NCCc3ccccn3)C[C@H]21 ZINC000283936178 131034759 /nfs/dbraw/zinc/03/47/59/131034759.db2.gz JLNQLGJKBJEDKX-CABCVRRESA-N 1 2 304.394 0.739 10 0 DCAELO COc1ccc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)c(O)c1 ZINC000284653481 131101245 /nfs/dbraw/zinc/10/12/45/131101245.db2.gz WIHKFCCGFYFBEO-ZFWWWQNUSA-N 1 2 306.362 0.946 10 0 DCAELO COc1ccc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)c(O)c1 ZINC000284653481 131101247 /nfs/dbraw/zinc/10/12/47/131101247.db2.gz WIHKFCCGFYFBEO-ZFWWWQNUSA-N 1 2 306.362 0.946 10 0 DCAELO O=C(C[N@H+]1CC[C@@](O)(c2cn[nH]n2)C1)N1CCc2ccccc21 ZINC000284812305 131113491 /nfs/dbraw/zinc/11/34/91/131113491.db2.gz NMFNYJTVBWAVBE-INIZCTEOSA-N 1 2 313.361 0.287 10 0 DCAELO O=C(C[N@@H+]1CC[C@@](O)(c2cn[nH]n2)C1)N1CCc2ccccc21 ZINC000284812305 131113493 /nfs/dbraw/zinc/11/34/93/131113493.db2.gz NMFNYJTVBWAVBE-INIZCTEOSA-N 1 2 313.361 0.287 10 0 DCAELO O=C(C[N@H+]1CC[C@@](O)(c2c[nH]nn2)C1)N1CCc2ccccc21 ZINC000284812305 131113494 /nfs/dbraw/zinc/11/34/94/131113494.db2.gz NMFNYJTVBWAVBE-INIZCTEOSA-N 1 2 313.361 0.287 10 0 DCAELO O=C(C[N@@H+]1CC[C@@](O)(c2c[nH]nn2)C1)N1CCc2ccccc21 ZINC000284812305 131113495 /nfs/dbraw/zinc/11/34/95/131113495.db2.gz NMFNYJTVBWAVBE-INIZCTEOSA-N 1 2 313.361 0.287 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3cccc(C(N)=O)c3)C[C@@H]21 ZINC000285381661 131162108 /nfs/dbraw/zinc/16/21/08/131162108.db2.gz XVGXREBZUBMODY-UONOGXRCSA-N 1 2 318.377 0.722 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3cccc(C(N)=O)c3)C[C@@H]21 ZINC000285381661 131162109 /nfs/dbraw/zinc/16/21/09/131162109.db2.gz XVGXREBZUBMODY-UONOGXRCSA-N 1 2 318.377 0.722 10 0 DCAELO Cc1noc(C)c1CNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000285405348 131165705 /nfs/dbraw/zinc/16/57/05/131165705.db2.gz MJZDCYNHNQNBRQ-KBPBESRZSA-N 1 2 308.382 0.906 10 0 DCAELO Cc1noc(C)c1CNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000285405348 131165706 /nfs/dbraw/zinc/16/57/06/131165706.db2.gz MJZDCYNHNQNBRQ-KBPBESRZSA-N 1 2 308.382 0.906 10 0 DCAELO C[C@H](NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1)c1cnn(C)c1 ZINC000285524435 131178046 /nfs/dbraw/zinc/17/80/46/131178046.db2.gz TXJOLGDODMOHMA-IACUBPJLSA-N 1 2 307.398 0.596 10 0 DCAELO C[C@H](NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1)c1cnn(C)c1 ZINC000285524435 131178047 /nfs/dbraw/zinc/17/80/47/131178047.db2.gz TXJOLGDODMOHMA-IACUBPJLSA-N 1 2 307.398 0.596 10 0 DCAELO Cn1ccc(C(=O)NCc2cccnc2-n2cc[nH+]c2)cc1=O ZINC000029909123 395700595 /nfs/dbraw/zinc/70/05/95/395700595.db2.gz ZPSGIPUQYALTPQ-UHFFFAOYSA-N 1 2 309.329 0.896 10 0 DCAELO C[C@H](CNC(=O)CNC(=O)c1cccc(F)c1)[NH+]1CCOCC1 ZINC000097251538 395756434 /nfs/dbraw/zinc/75/64/34/395756434.db2.gz HSCUWBCIIYCUGX-GFCCVEGCSA-N 1 2 323.368 0.392 10 0 DCAELO CO[C@H](C)CS(=O)(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000195082655 395814886 /nfs/dbraw/zinc/81/48/86/395814886.db2.gz RXXMPRCUXVUWRY-LLVKDONJSA-N 1 2 310.379 0.722 10 0 DCAELO Nc1nccnc1C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000114690182 395836526 /nfs/dbraw/zinc/83/65/26/395836526.db2.gz SXBJHZQDVJYGFC-GFCCVEGCSA-N 1 2 305.382 0.386 10 0 DCAELO CCS(=O)(=O)CC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115416620 395840237 /nfs/dbraw/zinc/84/02/37/395840237.db2.gz PRXZKSXWXUEFJY-UHFFFAOYSA-N 1 2 316.398 0.938 10 0 DCAELO COCC[N@@H+]1CCN(Cc2cc(=O)n3[nH]ccc3n2)C[C@H]1C ZINC000108867410 395794675 /nfs/dbraw/zinc/79/46/75/395794675.db2.gz APNFPECVDPOQGE-GFCCVEGCSA-N 1 2 305.382 0.175 10 0 DCAELO COCC[N@H+]1CCN(Cc2cc(=O)n3[nH]ccc3n2)C[C@H]1C ZINC000108867410 395794677 /nfs/dbraw/zinc/79/46/77/395794677.db2.gz APNFPECVDPOQGE-GFCCVEGCSA-N 1 2 305.382 0.175 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)c2cccnc2N2CCCC2)C1 ZINC000194600634 395800759 /nfs/dbraw/zinc/80/07/59/395800759.db2.gz SFQGYFRWEYTBDK-CYBMUJFWSA-N 1 2 304.394 0.742 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)c2cccnc2N2CCCC2)C1 ZINC000194600634 395800764 /nfs/dbraw/zinc/80/07/64/395800764.db2.gz SFQGYFRWEYTBDK-CYBMUJFWSA-N 1 2 304.394 0.742 10 0 DCAELO CN(CC(=O)NC[C@@H]1C[N@H+](C)CCO1)C(=O)c1cccs1 ZINC000194612660 395801767 /nfs/dbraw/zinc/80/17/67/395801767.db2.gz XGXQBJQQJSFJDF-LLVKDONJSA-N 1 2 311.407 0.267 10 0 DCAELO CN(CC(=O)NC[C@@H]1C[N@@H+](C)CCO1)C(=O)c1cccs1 ZINC000194612660 395801772 /nfs/dbraw/zinc/80/17/72/395801772.db2.gz XGXQBJQQJSFJDF-LLVKDONJSA-N 1 2 311.407 0.267 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)[C@@H]2CCCO2)nc[nH+]1 ZINC000122705658 395888948 /nfs/dbraw/zinc/88/89/48/395888948.db2.gz YRSGHQPJDGAJAK-RYUDHWBXSA-N 1 2 305.382 0.782 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)[C@@H]2CCCO2)[nH+]cn1 ZINC000122705658 395888952 /nfs/dbraw/zinc/88/89/52/395888952.db2.gz YRSGHQPJDGAJAK-RYUDHWBXSA-N 1 2 305.382 0.782 10 0 DCAELO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CCNC(=O)CC1 ZINC000054867748 395907522 /nfs/dbraw/zinc/90/75/22/395907522.db2.gz UOWUGXSXMLPZNJ-LBPRGKRZSA-N 1 2 307.369 0.995 10 0 DCAELO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CCNC(=O)CC1 ZINC000054867748 395907525 /nfs/dbraw/zinc/90/75/25/395907525.db2.gz UOWUGXSXMLPZNJ-LBPRGKRZSA-N 1 2 307.369 0.995 10 0 DCAELO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000052311655 395862586 /nfs/dbraw/zinc/86/25/86/395862586.db2.gz GLOJQDBDYKNDRG-KKUMJFAQSA-N 1 2 323.437 0.709 10 0 DCAELO CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000052311655 395862588 /nfs/dbraw/zinc/86/25/88/395862588.db2.gz GLOJQDBDYKNDRG-KKUMJFAQSA-N 1 2 323.437 0.709 10 0 DCAELO C[C@H](CNC(=O)c1cccc(-n2ccnn2)c1)[NH+]1CCOCC1 ZINC000119043973 395866133 /nfs/dbraw/zinc/86/61/33/395866133.db2.gz UFMYIAWSVXDHRJ-CYBMUJFWSA-N 1 2 315.377 0.718 10 0 DCAELO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C2=NNC(=O)CC2)C1 ZINC000119803899 395875625 /nfs/dbraw/zinc/87/56/25/395875625.db2.gz HDBGQGJKOXLLQI-LLVKDONJSA-N 1 2 303.366 0.467 10 0 DCAELO Cc1nc(C2CC2)oc1C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000273615544 395934107 /nfs/dbraw/zinc/93/41/07/395934107.db2.gz SNQBZURAKWURLD-LBPRGKRZSA-N 1 2 309.366 0.283 10 0 DCAELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CCNS(C)(=O)=O ZINC000245924398 395938454 /nfs/dbraw/zinc/93/84/54/395938454.db2.gz NPZDLSKBTLZZKM-TUAOUCFPSA-N 1 2 304.412 0.342 10 0 DCAELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CCNS(C)(=O)=O ZINC000245924398 395938455 /nfs/dbraw/zinc/93/84/55/395938455.db2.gz NPZDLSKBTLZZKM-TUAOUCFPSA-N 1 2 304.412 0.342 10 0 DCAELO CCOc1ccnc(N2CCC[N@@H+]([C@H]3CCOC3=O)CC2)n1 ZINC000246789771 395957975 /nfs/dbraw/zinc/95/79/75/395957975.db2.gz ISUKVDVAMGLFMZ-LBPRGKRZSA-N 1 2 306.366 0.703 10 0 DCAELO CCOc1ccnc(N2CCC[N@H+]([C@H]3CCOC3=O)CC2)n1 ZINC000246789771 395957978 /nfs/dbraw/zinc/95/79/78/395957978.db2.gz ISUKVDVAMGLFMZ-LBPRGKRZSA-N 1 2 306.366 0.703 10 0 DCAELO CS(=O)(=O)N[C@H]1CC[N@H+](C[C@@H](O)c2cc(F)ccc2F)C1 ZINC000247175240 395968079 /nfs/dbraw/zinc/96/80/79/395968079.db2.gz RNKGKSKWBPSSOL-GXFFZTMASA-N 1 2 320.361 0.622 10 0 DCAELO CS(=O)(=O)N[C@H]1CC[N@@H+](C[C@@H](O)c2cc(F)ccc2F)C1 ZINC000247175240 395968081 /nfs/dbraw/zinc/96/80/81/395968081.db2.gz RNKGKSKWBPSSOL-GXFFZTMASA-N 1 2 320.361 0.622 10 0 DCAELO CN1C[C@H](Nc2cc(N3CCC[C@@H]3CO)nc[nH+]2)CCC1=O ZINC000150879043 395974338 /nfs/dbraw/zinc/97/43/38/395974338.db2.gz JVOWMROIVWBRLH-VXGBXAGGSA-N 1 2 305.382 0.470 10 0 DCAELO CN1C[C@H](Nc2cc(N3CCC[C@@H]3CO)[nH+]cn2)CCC1=O ZINC000150879043 395974339 /nfs/dbraw/zinc/97/43/39/395974339.db2.gz JVOWMROIVWBRLH-VXGBXAGGSA-N 1 2 305.382 0.470 10 0 DCAELO CCC(=O)N1CC[C@@H](C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000151228550 395982358 /nfs/dbraw/zinc/98/23/58/395982358.db2.gz FUZLWXWOMOVEBK-KGLIPLIRSA-N 1 2 309.410 0.178 10 0 DCAELO CNC(=O)[C@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2F)CCO1 ZINC000248437951 395987234 /nfs/dbraw/zinc/98/72/34/395987234.db2.gz HNIMVCSFUBHPDV-CHWSQXEVSA-N 1 2 300.305 0.445 10 0 DCAELO CNC(=O)[C@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2F)CCO1 ZINC000248437951 395987237 /nfs/dbraw/zinc/98/72/37/395987237.db2.gz HNIMVCSFUBHPDV-CHWSQXEVSA-N 1 2 300.305 0.445 10 0 DCAELO CCS(=O)(=O)CCCCCN1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000249073993 396001739 /nfs/dbraw/zinc/00/17/39/396001739.db2.gz LMAUSOPPAZKZBE-GJZGRUSLSA-N 1 2 320.499 0.978 10 0 DCAELO CCS(=O)(=O)CCCCCN1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000249073993 396001741 /nfs/dbraw/zinc/00/17/41/396001741.db2.gz LMAUSOPPAZKZBE-GJZGRUSLSA-N 1 2 320.499 0.978 10 0 DCAELO CCS(=O)(=O)CCCCC[N@@H+]1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000249073993 396001743 /nfs/dbraw/zinc/00/17/43/396001743.db2.gz LMAUSOPPAZKZBE-GJZGRUSLSA-N 1 2 320.499 0.978 10 0 DCAELO CCS(=O)(=O)CCCCC[N@H+]1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000249073993 396001744 /nfs/dbraw/zinc/00/17/44/396001744.db2.gz LMAUSOPPAZKZBE-GJZGRUSLSA-N 1 2 320.499 0.978 10 0 DCAELO CCOCCCNC(=O)[C@H](C)[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249059521 396002079 /nfs/dbraw/zinc/00/20/79/396002079.db2.gz YEKSFPUUFCPWGV-ZFWWWQNUSA-N 1 2 300.399 0.409 10 0 DCAELO CCOCCCNC(=O)[C@H](C)[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249059521 396002084 /nfs/dbraw/zinc/00/20/84/396002084.db2.gz YEKSFPUUFCPWGV-ZFWWWQNUSA-N 1 2 300.399 0.409 10 0 DCAELO C[C@@H]1CCCN1S(=O)(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000248743492 395996118 /nfs/dbraw/zinc/99/61/18/395996118.db2.gz RWMDTJNCUXVRGQ-YPMHNXCESA-N 1 2 303.428 0.168 10 0 DCAELO C[C@@H]1CCCN1S(=O)(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000248743492 395996121 /nfs/dbraw/zinc/99/61/21/395996121.db2.gz RWMDTJNCUXVRGQ-YPMHNXCESA-N 1 2 303.428 0.168 10 0 DCAELO NC(=O)[C@@H]1CCC[C@H](NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000248820956 395997453 /nfs/dbraw/zinc/99/74/53/395997453.db2.gz BNWPOMPYFJCGCN-IPYPFGDCSA-N 1 2 323.437 0.790 10 0 DCAELO NC(=O)[C@@H]1CCC[C@H](NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000248820956 395997457 /nfs/dbraw/zinc/99/74/57/395997457.db2.gz BNWPOMPYFJCGCN-IPYPFGDCSA-N 1 2 323.437 0.790 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(CC(=O)NOCc2ccccc2)C[C@@H]1C ZINC000252734762 396024293 /nfs/dbraw/zinc/02/42/93/396024293.db2.gz DQGMOQLOCNGLLU-GJZGRUSLSA-N 1 2 321.421 0.621 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(CC(=O)NOCc2ccccc2)C[C@@H]1C ZINC000252734762 396024297 /nfs/dbraw/zinc/02/42/97/396024297.db2.gz DQGMOQLOCNGLLU-GJZGRUSLSA-N 1 2 321.421 0.621 10 0 DCAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1cc(Cl)ccc1O ZINC000154115293 396031572 /nfs/dbraw/zinc/03/15/72/396031572.db2.gz GTGLPKZUYJNQOU-NSHDSACASA-N 1 2 314.769 0.469 10 0 DCAELO Cc1cccc(OCCC(=O)NC[C@H](O)C[NH+]2CCOCC2)c1 ZINC000154127344 396032001 /nfs/dbraw/zinc/03/20/01/396032001.db2.gz FQKYRFVJNJQLFH-HNNXBMFYSA-N 1 2 322.405 0.573 10 0 DCAELO Cc1ccc(O[C@H](C)C(=O)NC[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000154158575 396033094 /nfs/dbraw/zinc/03/30/94/396033094.db2.gz VIYKMCPAYJWOKZ-CABCVRRESA-N 1 2 322.405 0.572 10 0 DCAELO CN(C)C(=O)[C@H]1CCCN1c1cc(N2CCOCC2)[nH+]cn1 ZINC000277485376 396070052 /nfs/dbraw/zinc/07/00/52/396070052.db2.gz PZNLBTXPOZMYJU-GFCCVEGCSA-N 1 2 305.382 0.370 10 0 DCAELO CN(C)C(=O)[C@H]1CCCN1c1cc(N2CCOCC2)nc[nH+]1 ZINC000277485376 396070056 /nfs/dbraw/zinc/07/00/56/396070056.db2.gz PZNLBTXPOZMYJU-GFCCVEGCSA-N 1 2 305.382 0.370 10 0 DCAELO CCN1CCC[N@H+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CC1=O ZINC000249268763 396004597 /nfs/dbraw/zinc/00/45/97/396004597.db2.gz IUZJIXHPAACRNL-HUUCEWRRSA-N 1 2 323.437 0.711 10 0 DCAELO CCN1CCC[N@@H+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CC1=O ZINC000249268763 396004598 /nfs/dbraw/zinc/00/45/98/396004598.db2.gz IUZJIXHPAACRNL-HUUCEWRRSA-N 1 2 323.437 0.711 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)NCc2ccc(CO)c(F)c2)C1 ZINC000171673352 396122749 /nfs/dbraw/zinc/12/27/49/396122749.db2.gz HNPCYSAZLMEXHZ-CYBMUJFWSA-N 1 2 311.357 0.448 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)NCc2ccc(CO)c(F)c2)C1 ZINC000171673352 396122751 /nfs/dbraw/zinc/12/27/51/396122751.db2.gz HNPCYSAZLMEXHZ-CYBMUJFWSA-N 1 2 311.357 0.448 10 0 DCAELO C[C@@H](NC(=O)c1ccoc1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172767624 396132913 /nfs/dbraw/zinc/13/29/13/396132913.db2.gz FHOXAAMGFIHIFY-TZMCWYRMSA-N 1 2 321.377 0.331 10 0 DCAELO Cn1nnc2cc(C(=O)N3CC[C@@H]([NH+]4CCOCC4)C3)ccc21 ZINC000172743191 396133014 /nfs/dbraw/zinc/13/30/14/396133014.db2.gz GYRPBBHOBXPXJX-CYBMUJFWSA-N 1 2 315.377 0.515 10 0 DCAELO COc1ccnc(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c1 ZINC000173880131 396136063 /nfs/dbraw/zinc/13/60/63/396136063.db2.gz BTCVEKQSSCVJFG-IUODEOHRSA-N 1 2 305.378 0.883 10 0 DCAELO C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2cnc(Cl)c(F)c2)C1 ZINC000279264035 396162101 /nfs/dbraw/zinc/16/21/01/396162101.db2.gz MQSJORAYICPDPI-MRVPVSSYSA-N 1 2 323.777 0.483 10 0 DCAELO C[N@H+]1CCO[C@H](CNS(=O)(=O)c2cnc(Cl)c(F)c2)C1 ZINC000279264035 396162104 /nfs/dbraw/zinc/16/21/04/396162104.db2.gz MQSJORAYICPDPI-MRVPVSSYSA-N 1 2 323.777 0.483 10 0 DCAELO O=C(NCCCn1ccnn1)NCCc1cn2ccccc2[nH+]1 ZINC000182144688 396247113 /nfs/dbraw/zinc/24/71/13/396247113.db2.gz HJCGAEFIPQHUES-UHFFFAOYSA-N 1 2 313.365 0.858 10 0 DCAELO CN(C)c1[nH+]cccc1CNC(=O)NCCCn1ccnn1 ZINC000182189583 396248098 /nfs/dbraw/zinc/24/80/98/396248098.db2.gz FZOBQCKYIPYZIX-UHFFFAOYSA-N 1 2 303.370 0.629 10 0 DCAELO CC(C)[C@@H](NC[C@H](O)C[NH+]1CCOCC1)c1nc(C2CC2)no1 ZINC000179813810 396230051 /nfs/dbraw/zinc/23/00/51/396230051.db2.gz DUUIIVDFJPSUFR-UONOGXRCSA-N 1 2 324.425 0.927 10 0 DCAELO COCC(=O)NC1C[NH+](C[C@@H](O)COc2cccc(C)c2)C1 ZINC000185089705 396316887 /nfs/dbraw/zinc/31/68/87/396316887.db2.gz IQAVREBYHSFCLH-CQSZACIVSA-N 1 2 308.378 0.182 10 0 DCAELO COc1ccccc1CNC(=O)C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000185210192 396321994 /nfs/dbraw/zinc/32/19/94/396321994.db2.gz AXTFKIZVJXPQTG-KRWDZBQOSA-N 1 2 320.389 0.803 10 0 DCAELO COc1ccccc1CNC(=O)C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000185210192 396321997 /nfs/dbraw/zinc/32/19/97/396321997.db2.gz AXTFKIZVJXPQTG-KRWDZBQOSA-N 1 2 320.389 0.803 10 0 DCAELO Cn1nc(C(=O)N2CC[NH+](C3CC3)CC2)cc1OC(F)F ZINC000185301286 396324598 /nfs/dbraw/zinc/32/45/98/396324598.db2.gz MSJVCRAYFXKHBF-UHFFFAOYSA-N 1 2 300.309 0.942 10 0 DCAELO C[C@@]1(C(N)=O)CCCC[N@@H+]1Cc1cc(=O)n2ccsc2n1 ZINC000185961178 396338522 /nfs/dbraw/zinc/33/85/22/396338522.db2.gz ZOAOFEDGCJQCHV-AWEZNQCLSA-N 1 2 306.391 0.986 10 0 DCAELO C[C@@]1(C(N)=O)CCCC[N@H+]1Cc1cc(=O)n2ccsc2n1 ZINC000185961178 396338524 /nfs/dbraw/zinc/33/85/24/396338524.db2.gz ZOAOFEDGCJQCHV-AWEZNQCLSA-N 1 2 306.391 0.986 10 0 DCAELO C[C@H]1CN(C(=O)Cc2cn3ccccc3[nH+]2)CCS1(=O)=O ZINC000265715440 396339185 /nfs/dbraw/zinc/33/91/85/396339185.db2.gz WWMVIRHUULDAMR-NSHDSACASA-N 1 2 307.375 0.522 10 0 DCAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1cc(F)c(O)c(F)c1 ZINC000186582231 396353160 /nfs/dbraw/zinc/35/31/60/396353160.db2.gz AGEBQZHFPDWPLI-JTQLQIEISA-N 1 2 316.304 0.093 10 0 DCAELO CCOCCCNC(=O)[C@@H](C)[NH+]1CCN(c2cc(C)[nH]n2)CC1 ZINC000187240678 396365100 /nfs/dbraw/zinc/36/51/00/396365100.db2.gz PTKMUGZBBJYKGR-CQSZACIVSA-N 1 2 323.441 0.771 10 0 DCAELO C[C@@H]1C[N@H+](Cc2cc(-c3cnn(C)c3)no2)CCN1CCO ZINC000187713187 396372723 /nfs/dbraw/zinc/37/27/23/396372723.db2.gz LNULWYNJYFHZEH-GFCCVEGCSA-N 1 2 305.382 0.574 10 0 DCAELO C[C@@H]1C[N@@H+](Cc2cc(-c3cnn(C)c3)no2)CCN1CCO ZINC000187713187 396372726 /nfs/dbraw/zinc/37/27/26/396372726.db2.gz LNULWYNJYFHZEH-GFCCVEGCSA-N 1 2 305.382 0.574 10 0 DCAELO C[C@@H](NC(=O)N1CCCN(c2cccc[nH+]2)CC1)C(=O)N(C)C ZINC000186362866 396348616 /nfs/dbraw/zinc/34/86/16/396348616.db2.gz DHLBSKQDOQHBNY-CYBMUJFWSA-N 1 2 319.409 0.780 10 0 DCAELO Cn1cc(C(=O)C(=O)N2CCCN(c3cccc[nH+]3)CC2)cn1 ZINC000186458120 396350087 /nfs/dbraw/zinc/35/00/87/396350087.db2.gz LDDUDDTZSXHKFV-UHFFFAOYSA-N 1 2 313.361 0.737 10 0 DCAELO CCN1CCC[N@H+](CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1=O ZINC000190213507 396402613 /nfs/dbraw/zinc/40/26/13/396402613.db2.gz IUZJIXHPAACRNL-GJZGRUSLSA-N 1 2 323.437 0.711 10 0 DCAELO CCN1CCC[N@@H+](CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1=O ZINC000190213507 396402616 /nfs/dbraw/zinc/40/26/16/396402616.db2.gz IUZJIXHPAACRNL-GJZGRUSLSA-N 1 2 323.437 0.711 10 0 DCAELO CCc1nnc(C2CC[NH+](CC(=O)N3CCNC3=O)CC2)[nH]1 ZINC000190671006 396409873 /nfs/dbraw/zinc/40/98/73/396409873.db2.gz DRCLHPMQIUQBPI-UHFFFAOYSA-N 1 2 306.370 0.098 10 0 DCAELO CCc1n[nH]c(C2CC[NH+](CC(=O)N3CCNC3=O)CC2)n1 ZINC000190671006 396409874 /nfs/dbraw/zinc/40/98/74/396409874.db2.gz DRCLHPMQIUQBPI-UHFFFAOYSA-N 1 2 306.370 0.098 10 0 DCAELO CCc1nc(C2CC[NH+](CC(=O)N3CCNC3=O)CC2)n[nH]1 ZINC000190671006 396409877 /nfs/dbraw/zinc/40/98/77/396409877.db2.gz DRCLHPMQIUQBPI-UHFFFAOYSA-N 1 2 306.370 0.098 10 0 DCAELO Cc1cnn(C[C@@H]2C[N@H+](CCN3CCO[C@H](C)C3)CCO2)c1 ZINC000191486642 396420801 /nfs/dbraw/zinc/42/08/01/396420801.db2.gz XHTOEYKDQHNUBR-CVEARBPZSA-N 1 2 308.426 0.613 10 0 DCAELO Cc1cnn(C[C@@H]2C[N@@H+](CCN3CCO[C@H](C)C3)CCO2)c1 ZINC000191486642 396420804 /nfs/dbraw/zinc/42/08/04/396420804.db2.gz XHTOEYKDQHNUBR-CVEARBPZSA-N 1 2 308.426 0.613 10 0 DCAELO CCn1ncnc1C[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000193325417 396449466 /nfs/dbraw/zinc/44/94/66/396449466.db2.gz KSWQZUWZWBRFPO-UHFFFAOYSA-N 1 2 304.398 0.866 10 0 DCAELO CNC(=O)[C@H]1CCCN1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000270187897 396462628 /nfs/dbraw/zinc/46/26/28/396462628.db2.gz ZICPBVAGFUVQDE-GFCCVEGCSA-N 1 2 305.382 0.639 10 0 DCAELO Cn1cc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)c(C2CC2)n1 ZINC000291898965 396518647 /nfs/dbraw/zinc/51/86/47/396518647.db2.gz MIBMDEKJEDIALK-KGLIPLIRSA-N 1 2 304.394 0.843 10 0 DCAELO Cn1cc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)c(C2CC2)n1 ZINC000291898965 396518652 /nfs/dbraw/zinc/51/86/52/396518652.db2.gz MIBMDEKJEDIALK-KGLIPLIRSA-N 1 2 304.394 0.843 10 0 DCAELO CC(=O)N1CSC[C@@H]1C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000374367722 396658934 /nfs/dbraw/zinc/65/89/34/396658934.db2.gz RWOUXVPMVHXUEM-VXGBXAGGSA-N 1 2 308.407 0.657 10 0 DCAELO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1cn2cccnc2n1 ZINC000581877428 396588633 /nfs/dbraw/zinc/58/86/33/396588633.db2.gz MDQOXNYWJUUMKQ-GFCCVEGCSA-N 1 2 303.366 0.522 10 0 DCAELO O=C(N[C@@H]1CCc2c[nH]nc2C1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000374567847 396673531 /nfs/dbraw/zinc/67/35/31/396673531.db2.gz GDSHPVMEGWSFEO-KGLIPLIRSA-N 1 2 319.409 0.383 10 0 DCAELO COCc1nc(C)cc(N2CCN(Cc3[nH+]ccn3C)CC2)n1 ZINC000301431806 396716628 /nfs/dbraw/zinc/71/66/28/396716628.db2.gz OXOQUDSZESANTH-UHFFFAOYSA-N 1 2 316.409 0.987 10 0 DCAELO CCN1CCN(C(=O)Cc2cc[nH]n2)C[C@H]1c1[nH+]ccn1C ZINC000328622860 396825162 /nfs/dbraw/zinc/82/51/62/396825162.db2.gz ISJSSHWDVUIZKX-ZDUSSCGKSA-N 1 2 302.382 0.591 10 0 DCAELO c1nnc2n1CCN(c1cc(N[C@@H]3CCCOC3)[nH+]cn1)C2 ZINC000328648989 396829345 /nfs/dbraw/zinc/82/93/45/396829345.db2.gz UVONPIAXZFFEGS-LLVKDONJSA-N 1 2 301.354 0.679 10 0 DCAELO c1nnc2n1CCN(c1cc(N[C@@H]3CCCOC3)nc[nH+]1)C2 ZINC000328648989 396829349 /nfs/dbraw/zinc/82/93/49/396829349.db2.gz UVONPIAXZFFEGS-LLVKDONJSA-N 1 2 301.354 0.679 10 0 DCAELO C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC000328644084 396829418 /nfs/dbraw/zinc/82/94/18/396829418.db2.gz RQKWOMTUODWBCJ-BFHYXJOUSA-N 1 2 304.394 0.934 10 0 DCAELO C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000328644084 396829421 /nfs/dbraw/zinc/82/94/21/396829421.db2.gz RQKWOMTUODWBCJ-BFHYXJOUSA-N 1 2 304.394 0.934 10 0 DCAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000375938702 396846832 /nfs/dbraw/zinc/84/68/32/396846832.db2.gz UTIXAFFUWDVXGT-SQWLQELKSA-N 1 2 323.437 0.661 10 0 DCAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000375938702 396846839 /nfs/dbraw/zinc/84/68/39/396846839.db2.gz UTIXAFFUWDVXGT-SQWLQELKSA-N 1 2 323.437 0.661 10 0 DCAELO NC(=O)[C@@]1(O)CCC[N@H+](Cc2ccncc2Br)C1 ZINC000625411329 396865003 /nfs/dbraw/zinc/86/50/03/396865003.db2.gz YKCLDUMIWDVSEB-GFCCVEGCSA-N 1 2 314.183 0.656 10 0 DCAELO NC(=O)[C@@]1(O)CCC[N@@H+](Cc2ccncc2Br)C1 ZINC000625411329 396865009 /nfs/dbraw/zinc/86/50/09/396865009.db2.gz YKCLDUMIWDVSEB-GFCCVEGCSA-N 1 2 314.183 0.656 10 0 DCAELO c1c([C@@H]2COCC[NH2+]2)nnn1C[C@@H]1COc2ccccc2O1 ZINC000630604381 397059145 /nfs/dbraw/zinc/05/91/45/397059145.db2.gz VZSJHRPWGFFOQG-YPMHNXCESA-N 1 2 302.334 0.779 10 0 DCAELO Cc1nn(C)c(C)c1NC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000592557867 397214938 /nfs/dbraw/zinc/21/49/38/397214938.db2.gz MXZKVHAVQWJOTA-NSHDSACASA-N 1 2 308.430 0.794 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCNC(=O)[C@@H]1C)C2 ZINC000364550604 397219765 /nfs/dbraw/zinc/21/97/65/397219765.db2.gz HSOFHDGEWYBBJY-WDEREUQCSA-N 1 2 304.394 0.985 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCNC(=O)[C@@H]1C)CC2 ZINC000364550604 397219770 /nfs/dbraw/zinc/21/97/70/397219770.db2.gz HSOFHDGEWYBBJY-WDEREUQCSA-N 1 2 304.394 0.985 10 0 DCAELO COCCN1CC(=O)N([C@@H]2CCCN(c3cccc[nH+]3)C2)C1=O ZINC000378515630 397250656 /nfs/dbraw/zinc/25/06/56/397250656.db2.gz GWZINZFMDAIUBB-CYBMUJFWSA-N 1 2 318.377 0.961 10 0 DCAELO CCn1cnnc1C1CCN(C(=O)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000407963774 397339123 /nfs/dbraw/zinc/33/91/23/397339123.db2.gz DTWHPOLQPTXAFY-CYBMUJFWSA-N 1 2 321.425 0.725 10 0 DCAELO CC(=O)N1CC(C(=O)N2CCN(c3c[nH+]ccc3C)CC2)C1 ZINC000407965956 397339633 /nfs/dbraw/zinc/33/96/33/397339633.db2.gz XMOFCGNVMLEHKH-UHFFFAOYSA-N 1 2 302.378 0.517 10 0 DCAELO C[C@H]1CC[S@](=O)CC[N@@H+]1CCN1C(=O)NC(C)(C)C1=O ZINC000408397795 397355653 /nfs/dbraw/zinc/35/56/53/397355653.db2.gz ZIKQFGZTPTZJJK-FVINQWEUSA-N 1 2 301.412 0.160 10 0 DCAELO C[C@H]1CC[S@](=O)CC[N@H+]1CCN1C(=O)NC(C)(C)C1=O ZINC000408397795 397355657 /nfs/dbraw/zinc/35/56/57/397355657.db2.gz ZIKQFGZTPTZJJK-FVINQWEUSA-N 1 2 301.412 0.160 10 0 DCAELO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000051131624 158013644 /nfs/dbraw/zinc/01/36/44/158013644.db2.gz OTASNRLTKJJSTP-SCRDCRAPSA-N 1 2 305.378 0.438 10 0 DCAELO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000051131624 158013646 /nfs/dbraw/zinc/01/36/46/158013646.db2.gz OTASNRLTKJJSTP-SCRDCRAPSA-N 1 2 305.378 0.438 10 0 DCAELO COc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1CCNC(=O)CC1 ZINC000054259034 158020329 /nfs/dbraw/zinc/02/03/29/158020329.db2.gz XODRUJPYTJQZMC-GFCCVEGCSA-N 1 2 305.378 0.522 10 0 DCAELO COc1ccccc1CNC(=O)[C@@H](C)[N@H+]1CCNC(=O)CC1 ZINC000054259034 158020331 /nfs/dbraw/zinc/02/03/31/158020331.db2.gz XODRUJPYTJQZMC-GFCCVEGCSA-N 1 2 305.378 0.522 10 0 DCAELO COC(=O)C1CCN(C(=O)[C@H](C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000078605303 158074469 /nfs/dbraw/zinc/07/44/69/158074469.db2.gz UJRPUHNGVGDXGQ-AVGNSLFASA-N 1 2 312.410 0.896 10 0 DCAELO COC(=O)NCCC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000107548432 158135640 /nfs/dbraw/zinc/13/56/40/158135640.db2.gz YWSCYCMIHIOJEL-UHFFFAOYSA-N 1 2 303.322 0.630 10 0 DCAELO CC[C@@H](C)C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000109896730 158138769 /nfs/dbraw/zinc/13/87/69/158138769.db2.gz USMYAAADAMERTK-KGLIPLIRSA-N 1 2 311.426 0.424 10 0 DCAELO CCS(=O)(=O)CCN1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000118399020 158177767 /nfs/dbraw/zinc/17/77/67/158177767.db2.gz REXNNLFZEKWMSK-ZDUSSCGKSA-N 1 2 304.456 0.606 10 0 DCAELO CCS(=O)(=O)CCN1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000118399020 158177770 /nfs/dbraw/zinc/17/77/70/158177770.db2.gz REXNNLFZEKWMSK-ZDUSSCGKSA-N 1 2 304.456 0.606 10 0 DCAELO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000122605320 158221887 /nfs/dbraw/zinc/22/18/87/158221887.db2.gz ZTAVCLVCLPIMAN-BJJPWKGXSA-N 1 2 311.426 0.454 10 0 DCAELO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000122605320 158221888 /nfs/dbraw/zinc/22/18/88/158221888.db2.gz ZTAVCLVCLPIMAN-BJJPWKGXSA-N 1 2 311.426 0.454 10 0 DCAELO CN1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1=O ZINC000153645903 158349701 /nfs/dbraw/zinc/34/97/01/158349701.db2.gz XCRXMOMTIWTKAA-UHFFFAOYSA-N 1 2 317.393 0.534 10 0 DCAELO CCc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000155288774 158351041 /nfs/dbraw/zinc/35/10/41/158351041.db2.gz TXYZZVCVHKTTSE-NWDGAFQWSA-N 1 2 322.413 0.305 10 0 DCAELO CCc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000155288774 158351043 /nfs/dbraw/zinc/35/10/43/158351043.db2.gz TXYZZVCVHKTTSE-NWDGAFQWSA-N 1 2 322.413 0.305 10 0 DCAELO COC(=O)[C@@H]1C[C@@H]1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000170756607 158375713 /nfs/dbraw/zinc/37/57/13/158375713.db2.gz FZKPHSCUGLSWIW-QWHCGFSZSA-N 1 2 303.362 0.976 10 0 DCAELO Cc1ccn2ncc(C(=O)N3CC[C@@H]([NH+]4CCOCC4)C3)c2n1 ZINC000172759373 158399773 /nfs/dbraw/zinc/39/97/73/158399773.db2.gz BKIDQGAJCARTGS-CYBMUJFWSA-N 1 2 315.377 0.584 10 0 DCAELO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+]2C[C@H](O)C[C@@H]2CO)c1C ZINC000184741738 158511249 /nfs/dbraw/zinc/51/12/49/158511249.db2.gz ZUOJZNDMXOGQBJ-CYZMBNFOSA-N 1 2 308.378 0.833 10 0 DCAELO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+]2C[C@H](O)C[C@@H]2CO)c1C ZINC000184741738 158511251 /nfs/dbraw/zinc/51/12/51/158511251.db2.gz ZUOJZNDMXOGQBJ-CYZMBNFOSA-N 1 2 308.378 0.833 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(S(=O)(=O)CC3CCOCC3)C[C@H]21 ZINC000328877312 159036740 /nfs/dbraw/zinc/03/67/40/159036740.db2.gz KNFKPVOQQSWUKV-KGLIPLIRSA-N 1 2 318.439 0.148 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(S(=O)(=O)CC3CCOCC3)C[C@H]21 ZINC000328877312 159036743 /nfs/dbraw/zinc/03/67/43/159036743.db2.gz KNFKPVOQQSWUKV-KGLIPLIRSA-N 1 2 318.439 0.148 10 0 DCAELO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC000328916649 159041040 /nfs/dbraw/zinc/04/10/40/159041040.db2.gz AOCMVQZAEWFXPB-XQQFMLRXSA-N 1 2 302.440 0.752 10 0 DCAELO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC000328916649 159041042 /nfs/dbraw/zinc/04/10/42/159041042.db2.gz AOCMVQZAEWFXPB-XQQFMLRXSA-N 1 2 302.440 0.752 10 0 DCAELO CC(C)CCn1cc(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)nn1 ZINC000328930679 159042523 /nfs/dbraw/zinc/04/25/23/159042523.db2.gz ZEBMYPFPDADWEZ-LSDHHAIUSA-N 1 2 321.425 0.869 10 0 DCAELO CC(C)CCn1cc(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)nn1 ZINC000328930679 159042525 /nfs/dbraw/zinc/04/25/25/159042525.db2.gz ZEBMYPFPDADWEZ-LSDHHAIUSA-N 1 2 321.425 0.869 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Cn3cc4ccccc4n3)C[C@@H]21 ZINC000329181932 159070392 /nfs/dbraw/zinc/07/03/92/159070392.db2.gz NPOGBIUGLVIZOU-JKSUJKDBSA-N 1 2 314.389 0.968 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)Cn3cc4ccccc4n3)C[C@@H]21 ZINC000329181932 159070394 /nfs/dbraw/zinc/07/03/94/159070394.db2.gz NPOGBIUGLVIZOU-JKSUJKDBSA-N 1 2 314.389 0.968 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)Cn3cc4ccccc4n3)C[C@H]21 ZINC000329181929 159070503 /nfs/dbraw/zinc/07/05/03/159070503.db2.gz NPOGBIUGLVIZOU-CVEARBPZSA-N 1 2 314.389 0.968 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)Cn3cc4ccccc4n3)C[C@H]21 ZINC000329181929 159070505 /nfs/dbraw/zinc/07/05/05/159070505.db2.gz NPOGBIUGLVIZOU-CVEARBPZSA-N 1 2 314.389 0.968 10 0 DCAELO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@H]2CCC(=O)N2C)C1 ZINC000329377968 159087035 /nfs/dbraw/zinc/08/70/35/159087035.db2.gz MFXNXZPGELJUNM-CHWSQXEVSA-N 1 2 304.394 0.822 10 0 DCAELO Cc1nn(C)c(N2CCOCC2)c1C[NH+]1CC(n2ccnn2)C1 ZINC000329410700 159089399 /nfs/dbraw/zinc/08/93/99/159089399.db2.gz AKNGEYKITRWLCK-UHFFFAOYSA-N 1 2 317.397 0.214 10 0 DCAELO CC1CCN(S(=O)(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000329765622 159118807 /nfs/dbraw/zinc/11/88/07/159118807.db2.gz XDXHAMGATJTKBD-CQSZACIVSA-N 1 2 317.455 0.416 10 0 DCAELO CC1CCN(S(=O)(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000329765622 159118808 /nfs/dbraw/zinc/11/88/08/159118808.db2.gz XDXHAMGATJTKBD-CQSZACIVSA-N 1 2 317.455 0.416 10 0 DCAELO Cc1cccc2nc(C[N@@H+]3CCO[C@]4(CCOC4)C3)cc(=O)n12 ZINC000329886592 159125914 /nfs/dbraw/zinc/12/59/14/159125914.db2.gz WIAUJQQYIAPNLO-QGZVFWFLSA-N 1 2 315.373 0.994 10 0 DCAELO Cc1cccc2nc(C[N@H+]3CCO[C@]4(CCOC4)C3)cc(=O)n12 ZINC000329886592 159125915 /nfs/dbraw/zinc/12/59/15/159125915.db2.gz WIAUJQQYIAPNLO-QGZVFWFLSA-N 1 2 315.373 0.994 10 0 DCAELO O=C(CCN1C(=O)CCC1=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000329903561 159127387 /nfs/dbraw/zinc/12/73/87/159127387.db2.gz QHXJAJIZRXOERF-ZDUSSCGKSA-N 1 2 317.345 0.600 10 0 DCAELO Cc1ccc(S(=O)(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cn1 ZINC000330235454 159152207 /nfs/dbraw/zinc/15/22/07/159152207.db2.gz YTPWNNZFAMSISL-ZDUSSCGKSA-N 1 2 311.407 0.532 10 0 DCAELO Cc1ccc(S(=O)(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cn1 ZINC000330235454 159152208 /nfs/dbraw/zinc/15/22/08/159152208.db2.gz YTPWNNZFAMSISL-ZDUSSCGKSA-N 1 2 311.407 0.532 10 0 DCAELO CC(=O)N1CSC[C@H]1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000330431132 159172543 /nfs/dbraw/zinc/17/25/43/159172543.db2.gz NEUFLDSKHLBVCB-LBPRGKRZSA-N 1 2 308.407 0.685 10 0 DCAELO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)N2CCCC[C@H]2C)CC1 ZINC000407990364 160004821 /nfs/dbraw/zinc/00/48/21/160004821.db2.gz NOYAAPTWDNWNPE-ZIAGYGMSSA-N 1 2 319.471 0.494 10 0 DCAELO CC(C)NC(=O)CCNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000408016665 160011923 /nfs/dbraw/zinc/01/19/23/160011923.db2.gz MGFXTPMQSKKTGR-STQMWFEESA-N 1 2 312.414 0.016 10 0 DCAELO CC(C)NC(=O)CCNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000408016665 160011926 /nfs/dbraw/zinc/01/19/26/160011926.db2.gz MGFXTPMQSKKTGR-STQMWFEESA-N 1 2 312.414 0.016 10 0 DCAELO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)C1 ZINC000408031352 160016402 /nfs/dbraw/zinc/01/64/02/160016402.db2.gz SWHMPUVCCCESFX-MGPQQGTHSA-N 1 2 309.410 0.176 10 0 DCAELO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)C1 ZINC000408031352 160016404 /nfs/dbraw/zinc/01/64/04/160016404.db2.gz SWHMPUVCCCESFX-MGPQQGTHSA-N 1 2 309.410 0.176 10 0 DCAELO Cc1noc([C@@H]2C[N@H+]([C@@H](C)C(=O)NC(C)(C)C)CCN2C)n1 ZINC000408033902 160018015 /nfs/dbraw/zinc/01/80/15/160018015.db2.gz BRYFNSFKYZJFCU-JQWIXIFHSA-N 1 2 309.414 0.970 10 0 DCAELO Cc1noc([C@@H]2C[N@@H+]([C@@H](C)C(=O)NC(C)(C)C)CCN2C)n1 ZINC000408033902 160018016 /nfs/dbraw/zinc/01/80/16/160018016.db2.gz BRYFNSFKYZJFCU-JQWIXIFHSA-N 1 2 309.414 0.970 10 0 DCAELO NC(=O)[C@]1(O)CCCN(c2nc(C3CC3)[nH+]c3c2CCC3)C1 ZINC000408036843 160018356 /nfs/dbraw/zinc/01/83/56/160018356.db2.gz WGAHUEVBWWHPLV-INIZCTEOSA-N 1 2 302.378 0.659 10 0 DCAELO CS(=O)(=O)N[C@H]1CCN(c2nc(C3CC3)[nH+]c3c2CCC3)C1 ZINC000408050067 160023357 /nfs/dbraw/zinc/02/33/57/160023357.db2.gz HDZXZCLDVFFFMT-NSHDSACASA-N 1 2 322.434 0.971 10 0 DCAELO Cc1cc(=O)[nH]c(C(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)c1 ZINC000408058186 160025964 /nfs/dbraw/zinc/02/59/64/160025964.db2.gz HHMLRVDMUJRGLW-ZDUSSCGKSA-N 1 2 315.377 0.958 10 0 DCAELO CC(C)CN(C)S(=O)(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000408132087 160044223 /nfs/dbraw/zinc/04/42/23/160044223.db2.gz JGOMYVYBSNKTGP-KBPBESRZSA-N 1 2 319.471 0.472 10 0 DCAELO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)N(C)CC(C)C)CC1 ZINC000408135612 160045158 /nfs/dbraw/zinc/04/51/58/160045158.db2.gz YTEXQBZOMQKIGH-CYBMUJFWSA-N 1 2 307.460 0.208 10 0 DCAELO CC(C)(C)[C@H]1CCN(C(=O)NCC[NH+]2CCOCC2)C[C@H]1O ZINC000408148651 160048402 /nfs/dbraw/zinc/04/84/02/160048402.db2.gz HOXHUAODDPFVFC-UONOGXRCSA-N 1 2 313.442 0.757 10 0 DCAELO C[C@H]1OCC[C@H]1NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000134485448 287016296 /nfs/dbraw/zinc/01/62/96/287016296.db2.gz WLAOGRCNFMFDCD-ZIAGYGMSSA-N 1 2 324.425 0.113 10 0 DCAELO Cc1ccc(OC[C@@H](O)C[NH+]2CCN(C(=O)[C@@H](C)O)CC2)cc1 ZINC000152755379 287044116 /nfs/dbraw/zinc/04/41/16/287044116.db2.gz JULCXADWJFTDND-CABCVRRESA-N 1 2 322.405 0.260 10 0 DCAELO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)CC[C@H]1C ZINC000252005534 287120273 /nfs/dbraw/zinc/12/02/73/287120273.db2.gz WZYYDNYCWFODMV-FDYHWXHSSA-N 1 2 318.439 0.035 10 0 DCAELO CO[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)CC[C@H]1C ZINC000252005534 287120275 /nfs/dbraw/zinc/12/02/75/287120275.db2.gz WZYYDNYCWFODMV-FDYHWXHSSA-N 1 2 318.439 0.035 10 0 DCAELO CC[C@@H]1C[N@H+](C[C@H](C)CS(C)(=O)=O)C[C@]2(CCOC2)O1 ZINC000373804204 287198508 /nfs/dbraw/zinc/19/85/08/287198508.db2.gz GZZKANDILGSBPV-MJBXVCDLSA-N 1 2 305.440 0.937 10 0 DCAELO CC[C@@H]1C[N@@H+](C[C@H](C)CS(C)(=O)=O)C[C@]2(CCOC2)O1 ZINC000373804204 287198509 /nfs/dbraw/zinc/19/85/09/287198509.db2.gz GZZKANDILGSBPV-MJBXVCDLSA-N 1 2 305.440 0.937 10 0 DCAELO CC(C)(C)c1n[nH]c(SC[C@@H](O)C[NH+]2CCOCC2)n1 ZINC000054866658 415328836 /nfs/dbraw/zinc/32/88/36/415328836.db2.gz LAIAUALVOIXWTL-JTQLQIEISA-N 1 2 300.428 0.887 10 0 DCAELO CC(C)(C)c1nnc(SC[C@@H](O)C[NH+]2CCOCC2)[nH]1 ZINC000054866658 415328843 /nfs/dbraw/zinc/32/88/43/415328843.db2.gz LAIAUALVOIXWTL-JTQLQIEISA-N 1 2 300.428 0.887 10 0 DCAELO C[C@H](CNC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1)Cn1cccn1 ZINC000332761971 415465609 /nfs/dbraw/zinc/46/56/09/415465609.db2.gz UWWZUEQLNGORBK-RBSFLKMASA-N 1 2 321.425 0.634 10 0 DCAELO C[C@H](CNC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1)Cn1cccn1 ZINC000332761971 415465614 /nfs/dbraw/zinc/46/56/14/415465614.db2.gz UWWZUEQLNGORBK-RBSFLKMASA-N 1 2 321.425 0.634 10 0 DCAELO C[C@@H]1NC(=O)CC[C@@H]1NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000333030347 415536064 /nfs/dbraw/zinc/53/60/64/415536064.db2.gz CBCMLOUNRCUGQH-JQWIXIFHSA-N 1 2 305.382 0.686 10 0 DCAELO Cc1nnc(CN2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1C ZINC000105928165 415634095 /nfs/dbraw/zinc/63/40/95/415634095.db2.gz CAOIBXCPBYORLZ-ZDUSSCGKSA-N 1 2 320.441 0.252 10 0 DCAELO C[C@H](NC(=O)c1ccco1)C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000284167691 415593314 /nfs/dbraw/zinc/59/33/14/415593314.db2.gz RJCVDRUYYSTJCF-RWMBFGLXSA-N 1 2 321.377 0.329 10 0 DCAELO C[C@H](NC(=O)c1ccco1)C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000284167691 415593324 /nfs/dbraw/zinc/59/33/24/415593324.db2.gz RJCVDRUYYSTJCF-RWMBFGLXSA-N 1 2 321.377 0.329 10 0 DCAELO COC(=O)CCCc1nc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)no1 ZINC000111220860 415689441 /nfs/dbraw/zinc/68/94/41/415689441.db2.gz LGUQWERAPFJWFZ-MNOVXSKESA-N 1 2 324.381 0.651 10 0 DCAELO COC(=O)CCCc1nc(C[N@H+]2C[C@@H](C(N)=O)CC[C@H]2C)no1 ZINC000111220860 415689447 /nfs/dbraw/zinc/68/94/47/415689447.db2.gz LGUQWERAPFJWFZ-MNOVXSKESA-N 1 2 324.381 0.651 10 0 DCAELO C[C@@H]1C[C@H](NC(=O)N[C@H]2COC[C@H]2n2ccnn2)c2[nH+]ccn21 ZINC000333620807 415697069 /nfs/dbraw/zinc/69/70/69/415697069.db2.gz UEMDAQOKOFOIBP-NOOOWODRSA-N 1 2 317.353 0.420 10 0 DCAELO Cc1nn(C)c(C)c1CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173485230 416059106 /nfs/dbraw/zinc/05/91/06/416059106.db2.gz ZMCSLDRPWHHRSI-CQSZACIVSA-N 1 2 321.425 0.653 10 0 DCAELO C[C@H]1CN(C(=O)C[NH+]2CCN(Cc3ccon3)CC2)C[C@H](C)O1 ZINC000173936792 416069701 /nfs/dbraw/zinc/06/97/01/416069701.db2.gz PDRGBQISMMPSOJ-KBPBESRZSA-N 1 2 322.409 0.428 10 0 DCAELO CN1C(=O)C[C@@H](C(=O)NCCc2[nH]cc[nH+]2)[C@@H]1c1cccnc1 ZINC000174755195 416086330 /nfs/dbraw/zinc/08/63/30/416086330.db2.gz MGOFCURQVXGZGN-DOMZBBRYSA-N 1 2 313.361 0.683 10 0 DCAELO Cc1noc(-c2ccnc(NC[C@@H]3C[NH+]4CCN3CC4)c2)n1 ZINC000301759495 416092357 /nfs/dbraw/zinc/09/23/57/416092357.db2.gz FNQGTUCPPIGESM-CYBMUJFWSA-N 1 2 300.366 0.852 10 0 DCAELO Cc1noc(-c2ccnc(NC[C@@H]3CN4CC[NH+]3CC4)c2)n1 ZINC000301759495 416092359 /nfs/dbraw/zinc/09/23/59/416092359.db2.gz FNQGTUCPPIGESM-CYBMUJFWSA-N 1 2 300.366 0.852 10 0 DCAELO Cc1cc(N2CC[NH+]([C@H](C)C(=O)N3CCOCC3)CC2)ncn1 ZINC000301767270 416092774 /nfs/dbraw/zinc/09/27/74/416092774.db2.gz BVWSQFCEKKKCFZ-CQSZACIVSA-N 1 2 319.409 0.154 10 0 DCAELO COCCC(=O)N1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000302845042 416100961 /nfs/dbraw/zinc/10/09/61/416100961.db2.gz NOZOQVWKTNZACZ-UHFFFAOYSA-N 1 2 319.409 0.762 10 0 DCAELO COCCC(=O)N1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000302845042 416100964 /nfs/dbraw/zinc/10/09/64/416100964.db2.gz NOZOQVWKTNZACZ-UHFFFAOYSA-N 1 2 319.409 0.762 10 0 DCAELO O=C(CCOC1CCOCC1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000175417339 416105255 /nfs/dbraw/zinc/10/52/55/416105255.db2.gz HRSJPOCBKUZONW-HNNXBMFYSA-N 1 2 312.410 0.552 10 0 DCAELO O=C(CCOC1CCOCC1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000175417339 416105259 /nfs/dbraw/zinc/10/52/59/416105259.db2.gz HRSJPOCBKUZONW-HNNXBMFYSA-N 1 2 312.410 0.552 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)Nc2ccc([S@](C)=O)cc2)C1 ZINC000175760194 416111869 /nfs/dbraw/zinc/11/18/69/416111869.db2.gz OALJZWZGONYPKB-GTJPDFRWSA-N 1 2 311.407 0.876 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)Nc2ccc([S@](C)=O)cc2)C1 ZINC000175760194 416111872 /nfs/dbraw/zinc/11/18/72/416111872.db2.gz OALJZWZGONYPKB-GTJPDFRWSA-N 1 2 311.407 0.876 10 0 DCAELO O=S(=O)(C[C@H]1CCCCO1)NC[C@H]1CCn2cc[nH+]c2C1 ZINC000328618980 416122723 /nfs/dbraw/zinc/12/27/23/416122723.db2.gz FJSGEWHWFPUYBN-QWHCGFSZSA-N 1 2 313.423 0.934 10 0 DCAELO Cc1cc(NC(=O)N(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)nn1C ZINC000328651881 416125351 /nfs/dbraw/zinc/12/53/51/416125351.db2.gz WDGJGAYCXGEZDM-AWEZNQCLSA-N 1 2 321.425 1.303 10 0 DCAELO Cc1cc(NC(=O)N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)nn1C ZINC000328651881 416125354 /nfs/dbraw/zinc/12/53/54/416125354.db2.gz WDGJGAYCXGEZDM-AWEZNQCLSA-N 1 2 321.425 1.303 10 0 DCAELO OC[C@@H](CNc1cc(NC[C@@H](CO)C2CC2)nc[nH+]1)C1CC1 ZINC000357774145 416130911 /nfs/dbraw/zinc/13/09/11/416130911.db2.gz JSBPRZRDJAIAFW-OKILXGFUSA-N 1 2 306.410 1.337 10 0 DCAELO OC[C@@H](CNc1cc(NC[C@@H](CO)C2CC2)[nH+]cn1)C1CC1 ZINC000357774145 416130914 /nfs/dbraw/zinc/13/09/14/416130914.db2.gz JSBPRZRDJAIAFW-OKILXGFUSA-N 1 2 306.410 1.337 10 0 DCAELO CCC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000328845950 416135836 /nfs/dbraw/zinc/13/58/36/416135836.db2.gz AJRGZZYBMKODJU-ILXRZTDVSA-N 1 2 323.437 0.709 10 0 DCAELO CCC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000328845950 416135840 /nfs/dbraw/zinc/13/58/40/416135840.db2.gz AJRGZZYBMKODJU-ILXRZTDVSA-N 1 2 323.437 0.709 10 0 DCAELO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1cc(-c2ccncc2)on1 ZINC000178651028 416167681 /nfs/dbraw/zinc/16/76/81/416167681.db2.gz XETCULGETMRNMO-CYBMUJFWSA-N 1 2 313.361 0.466 10 0 DCAELO Cc1cc(C)nc(SCC(=O)NC[C@H]2C[NH+]3CCN2CC3)n1 ZINC000178969047 416178910 /nfs/dbraw/zinc/17/89/10/416178910.db2.gz SQJIGGOYLLECCL-ZDUSSCGKSA-N 1 2 321.450 0.302 10 0 DCAELO CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000180687593 416198997 /nfs/dbraw/zinc/19/89/97/416198997.db2.gz GYEHBWYSKKNZJC-GJZGRUSLSA-N 1 2 311.426 0.517 10 0 DCAELO CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000180687593 416199002 /nfs/dbraw/zinc/19/90/02/416199002.db2.gz GYEHBWYSKKNZJC-GJZGRUSLSA-N 1 2 311.426 0.517 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N(CC2CC2)CC2CC2)C1 ZINC000358148607 416201896 /nfs/dbraw/zinc/20/18/96/416201896.db2.gz GLEWQFDMVQBNOA-AWEZNQCLSA-N 1 2 309.410 0.082 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N(CC2CC2)CC2CC2)C1 ZINC000358148607 416201899 /nfs/dbraw/zinc/20/18/99/416201899.db2.gz GLEWQFDMVQBNOA-AWEZNQCLSA-N 1 2 309.410 0.082 10 0 DCAELO COC(=O)C1CCC(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)CC1 ZINC000341754173 416231218 /nfs/dbraw/zinc/23/12/18/416231218.db2.gz NYJDHXAVZAUPGL-NEXFUWMNSA-N 1 2 324.421 0.897 10 0 DCAELO COC(=O)C1CCC(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)CC1 ZINC000341754173 416231221 /nfs/dbraw/zinc/23/12/21/416231221.db2.gz NYJDHXAVZAUPGL-NEXFUWMNSA-N 1 2 324.421 0.897 10 0 DCAELO Cc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1C ZINC000190049289 416273781 /nfs/dbraw/zinc/27/37/81/416273781.db2.gz SFTAUWRJAFPIJG-CQSZACIVSA-N 1 2 319.405 0.767 10 0 DCAELO Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1C ZINC000190049289 416273784 /nfs/dbraw/zinc/27/37/84/416273784.db2.gz SFTAUWRJAFPIJG-CQSZACIVSA-N 1 2 319.405 0.767 10 0 DCAELO CC/C=C\CC[NH+]1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000342274790 416304935 /nfs/dbraw/zinc/30/49/35/416304935.db2.gz PRAPJABVDKEDDJ-ARJAWSKDSA-N 1 2 317.455 0.537 10 0 DCAELO COCC[C@@H](C)NC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000358856732 416285750 /nfs/dbraw/zinc/28/57/50/416285750.db2.gz FLZXYAAPVHIDPX-LLVKDONJSA-N 1 2 308.382 0.657 10 0 DCAELO CO[C@@H](C)CS(=O)(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000195316569 416326354 /nfs/dbraw/zinc/32/63/54/416326354.db2.gz FJVMENNLHMFYEB-UONOGXRCSA-N 1 2 320.455 0.538 10 0 DCAELO O=C(N[C@H]1CCCN(c2ccccc2)C1=O)[C@@H]1COCC[NH2+]1 ZINC000237901238 416329259 /nfs/dbraw/zinc/32/92/59/416329259.db2.gz ARJIFGZHEOLPBD-KBPBESRZSA-N 1 2 303.362 0.287 10 0 DCAELO CCN1CCN(C(=O)NC[C@H]2CCOC2)C[C@H]1c1[nH+]ccn1C ZINC000583622858 416479949 /nfs/dbraw/zinc/47/99/49/416479949.db2.gz FUKXETVXWJSOBR-KGLIPLIRSA-N 1 2 321.425 0.845 10 0 DCAELO CC(=O)N[C@H](C(=O)NCc1c[nH+]c(C)nc1N)C1CCCC1 ZINC000584193934 416508078 /nfs/dbraw/zinc/50/80/78/416508078.db2.gz MLOYZYRFUMVGOS-ZDUSSCGKSA-N 1 2 305.382 0.678 10 0 DCAELO CN(CCC[NH+](C)C)C(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000540514927 416591853 /nfs/dbraw/zinc/59/18/53/416591853.db2.gz MEHOBZQPSLDCBD-UHFFFAOYSA-N 1 2 305.338 0.460 10 0 DCAELO CC[C@H](C)[C@H](O)CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000557376550 416733044 /nfs/dbraw/zinc/73/30/44/416733044.db2.gz GMSUGQJVUGSWSM-CMPLNLGQSA-N 1 2 304.350 0.796 10 0 DCAELO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000407989232 417130854 /nfs/dbraw/zinc/13/08/54/417130854.db2.gz GLOJQDBDYKNDRG-SOUVJXGZSA-N 1 2 323.437 0.709 10 0 DCAELO CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000407989232 417130863 /nfs/dbraw/zinc/13/08/63/417130863.db2.gz GLOJQDBDYKNDRG-SOUVJXGZSA-N 1 2 323.437 0.709 10 0 DCAELO CC(C)S(=O)(=O)CC(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000408183946 417145063 /nfs/dbraw/zinc/14/50/63/417145063.db2.gz VMMIJDBFKPATCQ-CHWSQXEVSA-N 1 2 302.440 0.895 10 0 DCAELO CC(C)S(=O)(=O)CC(=O)N1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000408183946 417145070 /nfs/dbraw/zinc/14/50/70/417145070.db2.gz VMMIJDBFKPATCQ-CHWSQXEVSA-N 1 2 302.440 0.895 10 0 DCAELO c1cc(C[NH+]2CCN(c3nccnn3)CC2)c2c(c1)OCCO2 ZINC000625637939 417151379 /nfs/dbraw/zinc/15/13/79/417151379.db2.gz ZOXBXUJZNWJXQW-UHFFFAOYSA-N 1 2 313.361 0.965 10 0 DCAELO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000525808620 417154509 /nfs/dbraw/zinc/15/45/09/417154509.db2.gz RNWZCDQZZSRZKJ-CZUORRHYSA-N 1 2 324.425 0.019 10 0 DCAELO O=S1(=O)CC[C@H](C[N@H+]2CCC[C@](O)(C(F)(F)F)C2)C1 ZINC000408400096 417157784 /nfs/dbraw/zinc/15/77/84/417157784.db2.gz OMZWAHPIDFBQCA-NXEZZACHSA-N 1 2 301.330 0.810 10 0 DCAELO O=S1(=O)CC[C@H](C[N@@H+]2CCC[C@](O)(C(F)(F)F)C2)C1 ZINC000408400096 417157791 /nfs/dbraw/zinc/15/77/91/417157791.db2.gz OMZWAHPIDFBQCA-NXEZZACHSA-N 1 2 301.330 0.810 10 0 DCAELO Cc1c(Cl)cccc1S(=O)(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000632577901 417179341 /nfs/dbraw/zinc/17/93/41/417179341.db2.gz ZUCDWQHAGGOSCK-LLVKDONJSA-N 1 2 318.826 0.945 10 0 DCAELO Cc1c(Cl)cccc1S(=O)(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000632577901 417179348 /nfs/dbraw/zinc/17/93/48/417179348.db2.gz ZUCDWQHAGGOSCK-LLVKDONJSA-N 1 2 318.826 0.945 10 0 DCAELO Cc1nn(C)c(C)c1C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000193254954 261140491 /nfs/dbraw/zinc/14/04/91/261140491.db2.gz CVBLMDSVIUVFEI-UHFFFAOYSA-N 1 2 322.409 0.448 10 0 DCAELO CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000494714647 272228403 /nfs/dbraw/zinc/22/84/03/272228403.db2.gz XTEYYSLOFHUBGC-HZPDHXFCSA-N 1 2 316.401 0.760 10 0 DCAELO CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000494714647 272228405 /nfs/dbraw/zinc/22/84/05/272228405.db2.gz XTEYYSLOFHUBGC-HZPDHXFCSA-N 1 2 316.401 0.760 10 0 DCAELO CN1C(=O)N[C@@H]2CN(c3cc(N4CCCC4)[nH+]cn3)CC[C@@H]21 ZINC000284691032 277017344 /nfs/dbraw/zinc/01/73/44/277017344.db2.gz YZNUNQDALPHKSL-NEPJUHHUSA-N 1 2 302.382 0.679 10 0 DCAELO CN1C(=O)N[C@@H]2CN(c3cc(N4CCCC4)nc[nH+]3)CC[C@@H]21 ZINC000284691032 277017345 /nfs/dbraw/zinc/01/73/45/277017345.db2.gz YZNUNQDALPHKSL-NEPJUHHUSA-N 1 2 302.382 0.679 10 0 DCAELO Cc1nc(N2CC[NH+](C3CC3)CC2)sc1S(N)(=O)=O ZINC000328749822 279091446 /nfs/dbraw/zinc/09/14/46/279091446.db2.gz QIINCXNSEBHSRO-UHFFFAOYSA-N 1 2 302.425 0.383 10 0 DCAELO Cn1nnc2ccc(C(=O)N3CC[C@H]([NH+]4CCOCC4)C3)cc21 ZINC000185309912 279432869 /nfs/dbraw/zinc/43/28/69/279432869.db2.gz XMWFRBPQAHPWCN-ZDUSSCGKSA-N 1 2 315.377 0.515 10 0 DCAELO O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172756997 280192760 /nfs/dbraw/zinc/19/27/60/280192760.db2.gz LSLLGHLNKCYLGS-LBPRGKRZSA-N 1 2 316.361 0.403 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)C[C@@H](C)O1 ZINC000329280847 288233040 /nfs/dbraw/zinc/23/30/40/288233040.db2.gz DUOAHCVLCOXORT-UTUOFQBUSA-N 1 2 314.411 0.901 10 0 DCAELO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000551885383 288240386 /nfs/dbraw/zinc/24/03/86/288240386.db2.gz SIDILOFRRMFPAD-CHWSQXEVSA-N 1 2 320.393 0.984 10 0 DCAELO CC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000551885383 288240390 /nfs/dbraw/zinc/24/03/90/288240390.db2.gz SIDILOFRRMFPAD-CHWSQXEVSA-N 1 2 320.393 0.984 10 0 DCAELO CN(C[C@H]1CCOC1)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000552753694 288280303 /nfs/dbraw/zinc/28/03/03/288280303.db2.gz PELQIFROJRRMDI-LLVKDONJSA-N 1 2 302.334 0.768 10 0 DCAELO COc1ncc(C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)cc1Cl ZINC000555833400 288363582 /nfs/dbraw/zinc/36/35/82/288363582.db2.gz DAHCFZLNTOZQBY-AWEZNQCLSA-N 1 2 324.768 0.918 10 0 DCAELO COc1ncc(C[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)cc1Cl ZINC000555833400 288363583 /nfs/dbraw/zinc/36/35/83/288363583.db2.gz DAHCFZLNTOZQBY-AWEZNQCLSA-N 1 2 324.768 0.918 10 0 DCAELO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)COc1cnn(C)c1 ZINC000560740455 288517521 /nfs/dbraw/zinc/51/75/21/288517521.db2.gz ZFHKMBPMGWVXAG-CHWSQXEVSA-N 1 2 308.382 0.121 10 0 DCAELO CC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000561010413 288523618 /nfs/dbraw/zinc/52/36/18/288523618.db2.gz LSIKYWMTQBRFCL-NSHDSACASA-N 1 2 315.333 0.010 10 0 DCAELO C[C@@H]1c2ccccc2O[C@@H]1C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000245597900 289083459 /nfs/dbraw/zinc/08/34/59/289083459.db2.gz HYGJQDMLPUIJPZ-IOASZLSFSA-N 1 2 320.389 0.360 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@H](NC(N)=O)C(C)(C)C)C[C@@H]21 ZINC000408019717 290083322 /nfs/dbraw/zinc/08/33/22/290083322.db2.gz AKHDTVUFSGPBOL-TUAOUCFPSA-N 1 2 312.414 0.001 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@H](NC(N)=O)C(C)(C)C)C[C@@H]21 ZINC000408019717 290083323 /nfs/dbraw/zinc/08/33/23/290083323.db2.gz AKHDTVUFSGPBOL-TUAOUCFPSA-N 1 2 312.414 0.001 10 0 DCAELO Cc1nnc([C@H]2CN(C(=O)[C@@H]3CCCn4cc[nH+]c43)CCO2)[nH]1 ZINC000176473293 293125601 /nfs/dbraw/zinc/12/56/01/293125601.db2.gz HTGJDPPXBKIUFX-VXGBXAGGSA-N 1 2 316.365 0.787 10 0 DCAELO C[C@H](C(=O)Nc1ncccn1)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000246994964 298197339 /nfs/dbraw/zinc/19/73/39/298197339.db2.gz NNYFMVCQAGEFQB-CHWSQXEVSA-N 1 2 305.382 0.210 10 0 DCAELO C[C@H](C(=O)Nc1ncccn1)[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000246994964 298197342 /nfs/dbraw/zinc/19/73/42/298197342.db2.gz NNYFMVCQAGEFQB-CHWSQXEVSA-N 1 2 305.382 0.210 10 0 DCAELO C[C@H](C(=O)Nc1ncccn1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000246994964 298197344 /nfs/dbraw/zinc/19/73/44/298197344.db2.gz NNYFMVCQAGEFQB-CHWSQXEVSA-N 1 2 305.382 0.210 10 0 DCAELO NC(=O)[C@@]1(O)CCCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000332783299 332870228 /nfs/dbraw/zinc/87/02/28/332870228.db2.gz ADFGVWRCPSKTOA-XHDPSFHLSA-N 1 2 321.381 0.832 10 0 DCAELO C[C@@H]1CN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)[C@@H](C)CO1 ZINC000582160211 335592337 /nfs/dbraw/zinc/59/23/37/335592337.db2.gz CDKODCQAMHYZKA-WDEREUQCSA-N 1 2 302.334 0.909 10 0 DCAELO O=C(NC[C@@H]1CCCn2cc[nH+]c21)C(=O)N1CCCSCC1 ZINC000580356829 336259936 /nfs/dbraw/zinc/25/99/36/336259936.db2.gz PDHCROUBMZSQQQ-LBPRGKRZSA-N 1 2 322.434 0.842 10 0 DCAELO CC(C)[C@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)CCO1 ZINC000576425255 341845759 /nfs/dbraw/zinc/84/57/59/341845759.db2.gz IHDYFPHCLKBPCT-DZGCQCFKSA-N 1 2 323.437 0.613 10 0 DCAELO CC(C)[C@H](O)CNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000157062922 519823215 /nfs/dbraw/zinc/82/32/15/519823215.db2.gz NAPBGRXLDGSAHS-CQSZACIVSA-N 1 2 316.361 0.944 10 0 DCAELO CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000246967245 521331898 /nfs/dbraw/zinc/33/18/98/521331898.db2.gz DRANWLHVVHBVOZ-GHMZBOCLSA-N 1 2 305.444 0.303 10 0 DCAELO CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000246967245 521331912 /nfs/dbraw/zinc/33/19/12/521331912.db2.gz DRANWLHVVHBVOZ-GHMZBOCLSA-N 1 2 305.444 0.303 10 0 DCAELO C[N@H+](CC(=O)NC1CC1)CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000249705131 522466728 /nfs/dbraw/zinc/46/67/28/522466728.db2.gz AFXYOOFUYDNRJA-ZIAGYGMSSA-N 1 2 309.410 0.367 10 0 DCAELO C[N@@H+](CC(=O)NC1CC1)CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000249705131 522466742 /nfs/dbraw/zinc/46/67/42/522466742.db2.gz AFXYOOFUYDNRJA-ZIAGYGMSSA-N 1 2 309.410 0.367 10 0 DCAELO COC[C@@H]1C[N@H+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CCO1 ZINC000246719155 522507091 /nfs/dbraw/zinc/50/70/91/522507091.db2.gz LPAWMXFGNOZVMV-RRFJBIMHSA-N 1 2 312.410 0.504 10 0 DCAELO COC[C@@H]1C[N@@H+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CCO1 ZINC000246719155 522507098 /nfs/dbraw/zinc/50/70/98/522507098.db2.gz LPAWMXFGNOZVMV-RRFJBIMHSA-N 1 2 312.410 0.504 10 0 DCAELO COCCCNC(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000115778816 523333766 /nfs/dbraw/zinc/33/37/66/523333766.db2.gz ITDIERUBUJAYME-UHFFFAOYSA-N 1 2 323.441 0.901 10 0 DCAELO C[C@@H]1CN(C(=O)c2cncc(Cl)n2)C[C@H]1[NH+]1CCOCC1 ZINC000189452307 524883753 /nfs/dbraw/zinc/88/37/53/524883753.db2.gz WXARDFDADYXXNC-ZYHUDNBSSA-N 1 2 310.785 0.923 10 0 DCAELO Cc1ccc(S(=O)(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c(F)c1 ZINC000249475455 525544733 /nfs/dbraw/zinc/54/47/33/525544733.db2.gz UCAQWUSOWPAMQD-LBPRGKRZSA-N 1 2 316.398 0.821 10 0 DCAELO Cc1ccc(S(=O)(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c(F)c1 ZINC000249475455 525544740 /nfs/dbraw/zinc/54/47/40/525544740.db2.gz UCAQWUSOWPAMQD-LBPRGKRZSA-N 1 2 316.398 0.821 10 0 DCAELO C[C@H](C(=O)Nc1ncccn1)[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000246995006 526172718 /nfs/dbraw/zinc/17/27/18/526172718.db2.gz BEIQXDZCGYTNBN-VXGBXAGGSA-N 1 2 301.354 0.732 10 0 DCAELO C[C@H](C(=O)Nc1ncccn1)[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000246995006 526172728 /nfs/dbraw/zinc/17/27/28/526172728.db2.gz BEIQXDZCGYTNBN-VXGBXAGGSA-N 1 2 301.354 0.732 10 0 DCAELO O=C(NC1C[NH+](C[C@H](O)COc2ccc(F)cc2)C1)C1CC1 ZINC000187977609 527542806 /nfs/dbraw/zinc/54/28/06/527542806.db2.gz XZDXWZPRZBFSOL-AWEZNQCLSA-N 1 2 308.353 0.776 10 0 DCAELO CC(C)c1nc(N(C)CCN2CCOC2=O)nc(N(C)C)[nH+]1 ZINC000301978355 528288965 /nfs/dbraw/zinc/28/89/65/528288965.db2.gz WYZJFELEQXHZDV-UHFFFAOYSA-N 1 2 308.386 0.949 10 0 DCAELO CC(C)c1nc(N(C)C)nc(N(C)CCN2CCOC2=O)[nH+]1 ZINC000301978355 528288974 /nfs/dbraw/zinc/28/89/74/528288974.db2.gz WYZJFELEQXHZDV-UHFFFAOYSA-N 1 2 308.386 0.949 10 0 DCAELO CC(=O)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000285126681 534923424 /nfs/dbraw/zinc/92/34/24/534923424.db2.gz SDYNNSYYAMJQAQ-MGPLVRAMSA-N 1 2 319.361 0.138 10 0 DCAELO CC(=O)c1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000285126681 534923427 /nfs/dbraw/zinc/92/34/27/534923427.db2.gz SDYNNSYYAMJQAQ-MGPLVRAMSA-N 1 2 319.361 0.138 10 0 DCAELO Cn1ncc2c1ncnc2N1CC[NH+](Cc2cncnc2)CC1 ZINC000124343638 545760507 /nfs/dbraw/zinc/76/05/07/545760507.db2.gz QRMSZXIEHDRPIT-UHFFFAOYSA-N 1 2 310.365 0.476 10 0 DCAELO CN(C)c1[nH+]cccc1CNC(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000177396544 545891983 /nfs/dbraw/zinc/89/19/83/545891983.db2.gz RFDSGDWRIVCNGT-LBPRGKRZSA-N 1 2 317.393 0.710 10 0 DCAELO Cc1c(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)nnn1C(C)C ZINC000329165063 546044707 /nfs/dbraw/zinc/04/47/07/546044707.db2.gz HIEPNSFRIUKZDW-CHWSQXEVSA-N 1 2 307.398 0.713 10 0 DCAELO Cc1c(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)nnn1C(C)C ZINC000329165063 546044710 /nfs/dbraw/zinc/04/47/10/546044710.db2.gz HIEPNSFRIUKZDW-CHWSQXEVSA-N 1 2 307.398 0.713 10 0 DCAELO CCC(=O)N1CSC[C@H]1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000332759497 546059066 /nfs/dbraw/zinc/05/90/66/546059066.db2.gz WVVAGTFWBUSKOA-RYUDHWBXSA-N 1 2 315.439 0.135 10 0 DCAELO CO[C@H]1C[C@@H](C(=O)NCCN=S2(=O)CCCC2)[N@@H+](C)C1 ZINC000912039884 664134432 /nfs/dbraw/zinc/13/44/32/664134432.db2.gz QODPLVBRYLTYGD-RYUDHWBXSA-N 1 2 303.428 0.084 10 0 DCAELO CO[C@H]1C[C@@H](C(=O)NCCN=S2(=O)CCCC2)[N@H+](C)C1 ZINC000912039884 664134431 /nfs/dbraw/zinc/13/44/31/664134431.db2.gz QODPLVBRYLTYGD-RYUDHWBXSA-N 1 2 303.428 0.084 10 0 DCAELO CO[C@@H]1C[N@H+](Cc2c(Cl)cnn2C)C[C@H]1c1cn(C)nn1 ZINC000886094267 667731443 /nfs/dbraw/zinc/73/14/43/667731443.db2.gz ZILKVMGBZKTJTI-TVQRCGJNSA-N 1 2 310.789 0.816 10 0 DCAELO CO[C@@H]1C[N@@H+](Cc2c(Cl)cnn2C)C[C@H]1c1cn(C)nn1 ZINC000886094267 667731445 /nfs/dbraw/zinc/73/14/45/667731445.db2.gz ZILKVMGBZKTJTI-TVQRCGJNSA-N 1 2 310.789 0.816 10 0 DCAELO C[C@H](O)CN1CC[N@H+](CCCNC(=O)C(F)(F)F)C[C@H]1C ZINC000245643492 685157950 /nfs/dbraw/zinc/15/79/50/685157950.db2.gz ATMFMPHCVPRDEA-MNOVXSKESA-N 1 2 311.348 0.442 10 0 DCAELO C[C@H](O)CN1CC[N@@H+](CCCNC(=O)C(F)(F)F)C[C@H]1C ZINC000245643492 685157952 /nfs/dbraw/zinc/15/79/52/685157952.db2.gz ATMFMPHCVPRDEA-MNOVXSKESA-N 1 2 311.348 0.442 10 0 DCAELO CO[C@H]1CC(=O)N(C[N@@H+]2CCC[C@@H](Cc3noc(C)n3)C2)C1 ZINC000249259537 685178330 /nfs/dbraw/zinc/17/83/30/685178330.db2.gz HUJCXIJKXZJMMX-STQMWFEESA-N 1 2 308.382 0.837 10 0 DCAELO CO[C@H]1CC(=O)N(C[N@H+]2CCC[C@@H](Cc3noc(C)n3)C2)C1 ZINC000249259537 685178332 /nfs/dbraw/zinc/17/83/32/685178332.db2.gz HUJCXIJKXZJMMX-STQMWFEESA-N 1 2 308.382 0.837 10 0 DCAELO Cn1c[nH+]c(CCNS(=O)(=O)c2ncn(C)c2Cl)c1 ZINC000313342455 1190396228 /nfs/dbraw/zinc/39/62/28/1190396228.db2.gz AKFCDCAAMBFQQV-UHFFFAOYSA-N 1 2 303.775 0.328 10 0 DCAELO CN(C[C@H]1C[N@H+](C)CCO1)C(=O)CNC(=O)c1ccccc1 ZINC000074884950 545673088 /nfs/dbraw/zinc/67/30/88/545673088.db2.gz QKBXTTGJTMKDPJ-CQSZACIVSA-N 1 2 305.378 0.205 10 0 DCAELO CN(C[C@H]1C[N@@H+](C)CCO1)C(=O)CNC(=O)c1ccccc1 ZINC000074884950 545673093 /nfs/dbraw/zinc/67/30/93/545673093.db2.gz QKBXTTGJTMKDPJ-CQSZACIVSA-N 1 2 305.378 0.205 10 0 DCAELO C[C@H](CS(C)(=O)=O)NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000172054330 198032568 /nfs/dbraw/zinc/03/25/68/198032568.db2.gz ACLICSMGQYIJGH-TZMCWYRMSA-N 1 2 312.435 0.709 10 0 DCAELO C[C@H]1CN(C(=O)C(=O)Nc2ccccc2)C[C@@H]1[NH+]1CCOCC1 ZINC000173958150 198272604 /nfs/dbraw/zinc/27/26/04/198272604.db2.gz HBKOWKQFIFQFNU-ZFWWWQNUSA-N 1 2 317.389 0.804 10 0 DCAELO CC(=O)c1c[nH]c(C(=O)N2CCC[N@@H+](CC(=O)N(C)C)CC2)c1 ZINC000073656531 191338366 /nfs/dbraw/zinc/33/83/66/191338366.db2.gz JULXUVHIOXSAOE-UHFFFAOYSA-N 1 2 320.393 0.453 10 0 DCAELO CC(=O)c1c[nH]c(C(=O)N2CCC[N@H+](CC(=O)N(C)C)CC2)c1 ZINC000073656531 191338368 /nfs/dbraw/zinc/33/83/68/191338368.db2.gz JULXUVHIOXSAOE-UHFFFAOYSA-N 1 2 320.393 0.453 10 0 DCAELO NC(=O)NC(=O)CN(CC[NH+]1CCOCC1)c1ccccc1 ZINC000081017763 192215048 /nfs/dbraw/zinc/21/50/48/192215048.db2.gz DVHWKDFQXZKAGJ-UHFFFAOYSA-N 1 2 306.366 0.020 10 0 DCAELO COc1ccc(S(=O)(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1 ZINC000188724902 200294662 /nfs/dbraw/zinc/29/46/62/200294662.db2.gz LMXFGCNDMIJBFS-GFCCVEGCSA-N 1 2 314.407 0.382 10 0 DCAELO COc1ccc(S(=O)(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1 ZINC000188724902 200294664 /nfs/dbraw/zinc/29/46/64/200294664.db2.gz LMXFGCNDMIJBFS-GFCCVEGCSA-N 1 2 314.407 0.382 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(F)c2)CC[N@@H+]1CCO ZINC000188730546 200295237 /nfs/dbraw/zinc/29/52/37/200295237.db2.gz UAQQXHJAJRIAAX-SNVBAGLBSA-N 1 2 320.361 0.652 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(F)c2)CC[N@H+]1CCO ZINC000188730546 200295239 /nfs/dbraw/zinc/29/52/39/200295239.db2.gz UAQQXHJAJRIAAX-SNVBAGLBSA-N 1 2 320.361 0.652 10 0 DCAELO COc1ccc2c(c1)ncn(C[C@H](O)C[NH+]1CCOCC1)c2=O ZINC000156807472 291225921 /nfs/dbraw/zinc/22/59/21/291225921.db2.gz QAGSMNMQLWPHQI-GFCCVEGCSA-N 1 2 319.361 0.098 10 0 DCAELO Cc1c(C(=O)NC[C@H](O)C[NH+]2CCOCC2)cnn1C(C)C ZINC000092277395 193183869 /nfs/dbraw/zinc/18/38/69/193183869.db2.gz UGHBWTSKYISYQI-ZDUSSCGKSA-N 1 2 310.398 0.195 10 0 DCAELO Cc1cc([C@@H]2CCCN(C(=O)NC[C@H]3C[N@H+](C)CCO3)C2)[nH]n1 ZINC000282554060 217085878 /nfs/dbraw/zinc/08/58/78/217085878.db2.gz XLBHSTQUQXSICQ-KGLIPLIRSA-N 1 2 321.425 0.938 10 0 DCAELO Cc1cc([C@@H]2CCCN(C(=O)NC[C@H]3C[N@@H+](C)CCO3)C2)[nH]n1 ZINC000282554060 217085881 /nfs/dbraw/zinc/08/58/81/217085881.db2.gz XLBHSTQUQXSICQ-KGLIPLIRSA-N 1 2 321.425 0.938 10 0 DCAELO Cc1cc([C@@H]2CCCN(C(=O)NC[C@H]3C[N@H+](C)CCO3)C2)n[nH]1 ZINC000282554060 217085885 /nfs/dbraw/zinc/08/58/85/217085885.db2.gz XLBHSTQUQXSICQ-KGLIPLIRSA-N 1 2 321.425 0.938 10 0 DCAELO Cc1cc([C@@H]2CCCN(C(=O)NC[C@H]3C[N@@H+](C)CCO3)C2)n[nH]1 ZINC000282554060 217085889 /nfs/dbraw/zinc/08/58/89/217085889.db2.gz XLBHSTQUQXSICQ-KGLIPLIRSA-N 1 2 321.425 0.938 10 0 DCAELO CN1C[C@H](NC(=O)NCc2cn3c([nH+]2)CCCC3)CCC1=O ZINC000265697084 204808421 /nfs/dbraw/zinc/80/84/21/204808421.db2.gz PFFFIRXURNHZCR-LLVKDONJSA-N 1 2 305.382 0.639 10 0 DCAELO CC1=[NH+]CCN1C(=O)c1cccc(N2C(=O)CCS2(=O)=O)c1 ZINC000020174102 182194543 /nfs/dbraw/zinc/19/45/43/182194543.db2.gz YBCSWJUUOCAPLS-UHFFFAOYSA-N 1 2 321.358 0.627 10 0 DCAELO COCCCNC(=O)[C@H](C)[N@@H+]1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000105892279 194160416 /nfs/dbraw/zinc/16/04/16/194160416.db2.gz WUHYLIVYGHDCFV-GJZGRUSLSA-N 1 2 324.425 0.434 10 0 DCAELO COCCCNC(=O)[C@H](C)[N@H+]1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000105892279 194160420 /nfs/dbraw/zinc/16/04/20/194160420.db2.gz WUHYLIVYGHDCFV-GJZGRUSLSA-N 1 2 324.425 0.434 10 0 DCAELO CCc1nn(C)c(Cl)c1CN1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC000105870328 194152061 /nfs/dbraw/zinc/15/20/61/194152061.db2.gz GGJLCHGPHVYHLL-SNVBAGLBSA-N 1 2 313.833 0.627 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCCC[C@@H]2c2ncc[nH]2)C1 ZINC000106561409 194230498 /nfs/dbraw/zinc/23/04/98/194230498.db2.gz MNWQSGBQURXRQC-QWHCGFSZSA-N 1 2 307.398 0.977 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)N2CCCC[C@@H]2c2ncc[nH]2)C1 ZINC000106561409 194230499 /nfs/dbraw/zinc/23/04/99/194230499.db2.gz MNWQSGBQURXRQC-QWHCGFSZSA-N 1 2 307.398 0.977 10 0 DCAELO C[C@@H]1CCCN(S(=O)(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)C1 ZINC000328857369 296395631 /nfs/dbraw/zinc/39/56/31/296395631.db2.gz XVEKPGJXWYWHBF-RDBSUJKOSA-N 1 2 317.455 0.368 10 0 DCAELO C[C@@H]1CCCN(S(=O)(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)C1 ZINC000328857369 296395633 /nfs/dbraw/zinc/39/56/33/296395633.db2.gz XVEKPGJXWYWHBF-RDBSUJKOSA-N 1 2 317.455 0.368 10 0 DCAELO CC(=O)c1c[nH]c(C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC000349339956 254281269 /nfs/dbraw/zinc/28/12/69/254281269.db2.gz FPBTVDBAAMXTLQ-UHFFFAOYSA-N 1 2 320.393 0.453 10 0 DCAELO COc1cc(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)ccn1 ZINC000283954495 131036664 /nfs/dbraw/zinc/03/66/64/131036664.db2.gz KHFWWYPAXKAWDT-KBPBESRZSA-N 1 2 320.393 0.705 10 0 DCAELO COc1cc(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)ccn1 ZINC000283954495 131036665 /nfs/dbraw/zinc/03/66/65/131036665.db2.gz KHFWWYPAXKAWDT-KBPBESRZSA-N 1 2 320.393 0.705 10 0 DCAELO COCCN(C)c1ccc(C[N@@H+]2C[C@@H](OC)C[C@H]2C(N)=O)cn1 ZINC000284631179 131098651 /nfs/dbraw/zinc/09/86/51/131098651.db2.gz SVPHVQJAISHSQW-KBPBESRZSA-N 1 2 322.409 0.239 10 0 DCAELO COCCN(C)c1ccc(C[N@H+]2C[C@@H](OC)C[C@H]2C(N)=O)cn1 ZINC000284631179 131098652 /nfs/dbraw/zinc/09/86/52/131098652.db2.gz SVPHVQJAISHSQW-KBPBESRZSA-N 1 2 322.409 0.239 10 0 DCAELO Cc1nc(N2C[C@H](COCC(=O)N(C)C)OC(C)(C)C2)cc[nH+]1 ZINC000284955105 131126403 /nfs/dbraw/zinc/12/64/03/131126403.db2.gz JWEQNDXUVMLBGV-CYBMUJFWSA-N 1 2 322.409 0.874 10 0 DCAELO CSC1=[NH+][C@@H]2[C@@H](NN1)N(c1ccccc1)C(=O)[C@@H]2C(C)=O ZINC000006357009 395682949 /nfs/dbraw/zinc/68/29/49/395682949.db2.gz DQZQSFIODUGNKW-WOPDTQHZSA-N 1 2 304.375 0.760 10 0 DCAELO COC[C@@H](O)C[N@H+](C)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000036160123 395722535 /nfs/dbraw/zinc/72/25/35/395722535.db2.gz GEZGQBMGXRYEGN-VIFPVBQESA-N 1 2 323.418 0.912 10 0 DCAELO COC[C@@H](O)C[N@@H+](C)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000036160123 395722536 /nfs/dbraw/zinc/72/25/36/395722536.db2.gz GEZGQBMGXRYEGN-VIFPVBQESA-N 1 2 323.418 0.912 10 0 DCAELO CCN1C[C@@H](C(=O)NCc2cccnc2-n2cc[nH+]c2)CC1=O ZINC000029022609 395696611 /nfs/dbraw/zinc/69/66/11/395696611.db2.gz KJSKJSKYYAYCCO-ZDUSSCGKSA-N 1 2 313.361 0.752 10 0 DCAELO CCO[C@H](C(=O)NC[C@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC000193904593 395782283 /nfs/dbraw/zinc/78/22/83/395782283.db2.gz XGQPWNBNOLMUDV-HOTGVXAUSA-N 1 2 322.405 0.574 10 0 DCAELO CCN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2nccc(OC)n2)CC1 ZINC000098133893 395762158 /nfs/dbraw/zinc/76/21/58/395762158.db2.gz YNQJWUISQILJQZ-CYBMUJFWSA-N 1 2 321.425 0.864 10 0 DCAELO CC(C)c1n[nH]cc1C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000193759711 395778751 /nfs/dbraw/zinc/77/87/51/395778751.db2.gz DRXNOBWIKVIZFY-GFCCVEGCSA-N 1 2 310.398 0.298 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)c2ccc3c(c2)OCCCO3)C1 ZINC000194623471 395802724 /nfs/dbraw/zinc/80/27/24/395802724.db2.gz VDDIZODDABLCLK-CYBMUJFWSA-N 1 2 306.362 0.908 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)c2ccc3c(c2)OCCCO3)C1 ZINC000194623471 395802728 /nfs/dbraw/zinc/80/27/28/395802728.db2.gz VDDIZODDABLCLK-CYBMUJFWSA-N 1 2 306.362 0.908 10 0 DCAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@@H]2CCOC2)CC1 ZINC000115390223 395839218 /nfs/dbraw/zinc/83/92/18/395839218.db2.gz YXPIOIFOVAYQLE-CQSZACIVSA-N 1 2 306.410 0.718 10 0 DCAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2cnsn2)CC1 ZINC000115387570 395839383 /nfs/dbraw/zinc/83/93/83/395839383.db2.gz LAKBTVKNATZVEQ-UHFFFAOYSA-N 1 2 320.422 0.846 10 0 DCAELO COCC[N@@H+]1CCN(C(=O)C(=O)Nc2ccccc2F)C[C@@H]1C ZINC000117522801 395852889 /nfs/dbraw/zinc/85/28/89/395852889.db2.gz UQGAGBLFHPSFQY-LBPRGKRZSA-N 1 2 323.368 0.943 10 0 DCAELO COCC[N@H+]1CCN(C(=O)C(=O)Nc2ccccc2F)C[C@@H]1C ZINC000117522801 395852892 /nfs/dbraw/zinc/85/28/92/395852892.db2.gz UQGAGBLFHPSFQY-LBPRGKRZSA-N 1 2 323.368 0.943 10 0 DCAELO COCC[N@@H+]1CCN(C(=O)C(=O)Nc2cnccc2C)C[C@@H]1C ZINC000117522741 395853187 /nfs/dbraw/zinc/85/31/87/395853187.db2.gz VEKBZQWGSDUGGS-ZDUSSCGKSA-N 1 2 320.393 0.508 10 0 DCAELO COCC[N@H+]1CCN(C(=O)C(=O)Nc2cnccc2C)C[C@@H]1C ZINC000117522741 395853188 /nfs/dbraw/zinc/85/31/88/395853188.db2.gz VEKBZQWGSDUGGS-ZDUSSCGKSA-N 1 2 320.393 0.508 10 0 DCAELO COc1cc[nH+]cc1NC(=O)C(=O)NCCn1cc(C)cn1 ZINC000118133597 395861168 /nfs/dbraw/zinc/86/11/68/395861168.db2.gz OKDGSXWTBLOINX-UHFFFAOYSA-N 1 2 303.322 0.350 10 0 DCAELO C[C@@H]1CN(c2ccc(CNC(=O)NCCCO)c[nH+]2)C[C@@H](C)O1 ZINC000047598327 395797015 /nfs/dbraw/zinc/79/70/15/395797015.db2.gz BCVKTBZVKKOWLI-CHWSQXEVSA-N 1 2 322.409 0.877 10 0 DCAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)Nc1ccc(F)cc1F ZINC000122481357 395887282 /nfs/dbraw/zinc/88/72/82/395887282.db2.gz KKKKSEZKFLTFSZ-LLVKDONJSA-N 1 2 315.320 0.779 10 0 DCAELO C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000131922263 395926011 /nfs/dbraw/zinc/92/60/11/395926011.db2.gz SZJYRHJAUSUSGC-DYEKYZERSA-N 1 2 311.426 0.741 10 0 DCAELO C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000131922263 395926015 /nfs/dbraw/zinc/92/60/15/395926015.db2.gz SZJYRHJAUSUSGC-DYEKYZERSA-N 1 2 311.426 0.741 10 0 DCAELO CC[N@@H+]1CCO[C@H](CNS(=O)(=O)c2ccccc2F)C1 ZINC000134703111 395934046 /nfs/dbraw/zinc/93/40/46/395934046.db2.gz NIDSVRCORLPQLO-LLVKDONJSA-N 1 2 302.371 0.825 10 0 DCAELO CC[N@H+]1CCO[C@H](CNS(=O)(=O)c2ccccc2F)C1 ZINC000134703111 395934050 /nfs/dbraw/zinc/93/40/50/395934050.db2.gz NIDSVRCORLPQLO-LLVKDONJSA-N 1 2 302.371 0.825 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2CCCc3[nH]ncc32)C[C@@H]1C ZINC000246085197 395941239 /nfs/dbraw/zinc/94/12/39/395941239.db2.gz IGGCJJURGPMFDL-RWMBFGLXSA-N 1 2 306.410 0.743 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CCCc3[nH]ncc32)C[C@@H]1C ZINC000246085197 395941241 /nfs/dbraw/zinc/94/12/41/395941241.db2.gz IGGCJJURGPMFDL-RWMBFGLXSA-N 1 2 306.410 0.743 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@@](O)(C(F)(F)F)C2)C1 ZINC000246228610 395944675 /nfs/dbraw/zinc/94/46/75/395944675.db2.gz PZMSDJUDVKZJMT-KOLCDFICSA-N 1 2 311.304 0.026 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@@](O)(C(F)(F)F)C2)C1 ZINC000246228610 395944676 /nfs/dbraw/zinc/94/46/76/395944676.db2.gz PZMSDJUDVKZJMT-KOLCDFICSA-N 1 2 311.304 0.026 10 0 DCAELO C[N@@H+]1CCO[C@H](CN[C@@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000246537396 395952138 /nfs/dbraw/zinc/95/21/38/395952138.db2.gz HLPJAGLFVTTZPK-HZPDHXFCSA-N 1 2 303.406 0.927 10 0 DCAELO C[N@H+]1CCO[C@H](CN[C@@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000246537396 395952141 /nfs/dbraw/zinc/95/21/41/395952141.db2.gz HLPJAGLFVTTZPK-HZPDHXFCSA-N 1 2 303.406 0.927 10 0 DCAELO CCOC(=O)CCS(=O)(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000247153384 395968114 /nfs/dbraw/zinc/96/81/14/395968114.db2.gz IOUDHUSENHOARN-LBPRGKRZSA-N 1 2 304.412 0.440 10 0 DCAELO CCOC(=O)CCS(=O)(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000247153384 395968116 /nfs/dbraw/zinc/96/81/16/395968116.db2.gz IOUDHUSENHOARN-LBPRGKRZSA-N 1 2 304.412 0.440 10 0 DCAELO COc1cc(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)nn1C ZINC000274708505 395969331 /nfs/dbraw/zinc/96/93/31/395969331.db2.gz SQUWAXCBGLDZCP-AAEUAGOBSA-N 1 2 308.382 0.221 10 0 DCAELO CN1C[C@@H](Nc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)CCC1=O ZINC000150878880 395974382 /nfs/dbraw/zinc/97/43/82/395974382.db2.gz UAHWZKKMVRMZDT-STQMWFEESA-N 1 2 319.409 0.718 10 0 DCAELO CN1C[C@@H](Nc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CCC1=O ZINC000150878880 395974384 /nfs/dbraw/zinc/97/43/84/395974384.db2.gz UAHWZKKMVRMZDT-STQMWFEESA-N 1 2 319.409 0.718 10 0 DCAELO O=C1NC[C@H]2C[N@H+](C[C@@H](O)c3cccc(Cl)c3)CCN2C1=O ZINC000248147607 395983271 /nfs/dbraw/zinc/98/32/71/395983271.db2.gz QIIKNIHNMIMYJJ-QWHCGFSZSA-N 1 2 323.780 0.016 10 0 DCAELO O=C1NC[C@H]2C[N@@H+](C[C@@H](O)c3cccc(Cl)c3)CCN2C1=O ZINC000248147607 395983275 /nfs/dbraw/zinc/98/32/75/395983275.db2.gz QIIKNIHNMIMYJJ-QWHCGFSZSA-N 1 2 323.780 0.016 10 0 DCAELO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[C@H]2OCCC[C@@H]2C1 ZINC000151305079 395983562 /nfs/dbraw/zinc/98/35/62/395983562.db2.gz ZNZOYEUSRRWTNN-BZUAXINKSA-N 1 2 324.469 0.833 10 0 DCAELO CCN(CC)C(=O)[C@H](C)[NH+]1CCN(c2nccc(OC)n2)CC1 ZINC000064248360 395984686 /nfs/dbraw/zinc/98/46/86/395984686.db2.gz YNQJWUISQILJQZ-ZDUSSCGKSA-N 1 2 321.425 0.864 10 0 DCAELO COc1ccnc(N2CC[NH+](CC(=O)N(C)C3CC3)CC2)n1 ZINC000064248339 395984848 /nfs/dbraw/zinc/98/48/48/395984848.db2.gz MZGFTVZSDQYSBU-UHFFFAOYSA-N 1 2 305.382 0.228 10 0 DCAELO COCc1csc(NC(=O)N2CC[NH+](CCO)CC2)n1 ZINC000151452198 395985990 /nfs/dbraw/zinc/98/59/90/395985990.db2.gz SCXLIKIISCPWNC-UHFFFAOYSA-N 1 2 300.384 0.431 10 0 DCAELO CCOCCOCCN(C)c1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000248743571 395996361 /nfs/dbraw/zinc/99/63/61/395996361.db2.gz YSJMAZXAKRZMIX-AWEZNQCLSA-N 1 2 324.425 0.927 10 0 DCAELO CCOCCOCCN(C)c1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000248743571 395996362 /nfs/dbraw/zinc/99/63/62/395996362.db2.gz YSJMAZXAKRZMIX-AWEZNQCLSA-N 1 2 324.425 0.927 10 0 DCAELO CCOC(=O)CN1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000253375008 396026475 /nfs/dbraw/zinc/02/64/75/396026475.db2.gz OFCAGJHOCGKATP-ZDUSSCGKSA-N 1 2 311.426 0.614 10 0 DCAELO CCc1ccccc1OCC(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000154128489 396032318 /nfs/dbraw/zinc/03/23/18/396032318.db2.gz HWIBYEYXFUWXLW-HNNXBMFYSA-N 1 2 322.405 0.437 10 0 DCAELO Cn1nccc1S(=O)(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261601781 396047781 /nfs/dbraw/zinc/04/77/81/396047781.db2.gz AJFCYNMIVLCXGN-LBPRGKRZSA-N 1 2 307.379 0.150 10 0 DCAELO COC(=O)[C@@H]1CN(C(=O)Cc2cn3ccccc3[nH+]2)C[C@@H](C)O1 ZINC000157711917 396063719 /nfs/dbraw/zinc/06/37/19/396063719.db2.gz FBMSRYPIYDGMIF-YPMHNXCESA-N 1 2 317.345 0.666 10 0 DCAELO O=C(NCCn1cc[nH+]c1)N1CCC(Nc2cccnn2)CC1 ZINC000152724379 396014859 /nfs/dbraw/zinc/01/48/59/396014859.db2.gz MIZPVKXUWIVEQB-UHFFFAOYSA-N 1 2 315.381 0.959 10 0 DCAELO c1nc(N2CCO[C@@]3(CCOC3)C2)cc(N2CCOCC2)[nH+]1 ZINC000277975461 396098422 /nfs/dbraw/zinc/09/84/22/396098422.db2.gz ZCCATUXJAOVYDJ-HNNXBMFYSA-N 1 2 306.366 0.309 10 0 DCAELO c1nc(N2CCOCC2)cc(N2CCO[C@@]3(CCOC3)C2)[nH+]1 ZINC000277975461 396098425 /nfs/dbraw/zinc/09/84/25/396098425.db2.gz ZCCATUXJAOVYDJ-HNNXBMFYSA-N 1 2 306.366 0.309 10 0 DCAELO C[C@@H](CNC(=O)NC[C@H](O)C1CCCCC1)[NH+]1CCOCC1 ZINC000170839119 396098783 /nfs/dbraw/zinc/09/87/83/396098783.db2.gz WHQSZWURVBKIFN-ZFWWWQNUSA-N 1 2 313.442 0.948 10 0 DCAELO Cc1ncc(C[NH+]2CCN(CCN3C(=O)CCC3=O)CC2)s1 ZINC000171556668 396118409 /nfs/dbraw/zinc/11/84/09/396118409.db2.gz CZONGPVENPNTPI-UHFFFAOYSA-N 1 2 322.434 0.718 10 0 DCAELO Cc1ncc(CN2CC[NH+](CCN3C(=O)CCC3=O)CC2)s1 ZINC000171556668 396118411 /nfs/dbraw/zinc/11/84/11/396118411.db2.gz CZONGPVENPNTPI-UHFFFAOYSA-N 1 2 322.434 0.718 10 0 DCAELO Cc1nnc2n1CC[N@@H+](Cc1cc(=O)n3cc(C)ccc3n1)C2 ZINC000069484992 396080316 /nfs/dbraw/zinc/08/03/16/396080316.db2.gz XZYVYCPSDWUZDX-UHFFFAOYSA-N 1 2 310.361 0.919 10 0 DCAELO Cc1nnc2n1CC[N@H+](Cc1cc(=O)n3cc(C)ccc3n1)C2 ZINC000069484992 396080320 /nfs/dbraw/zinc/08/03/20/396080320.db2.gz XZYVYCPSDWUZDX-UHFFFAOYSA-N 1 2 310.361 0.919 10 0 DCAELO CC1(C)CN(C(=O)c2ccc3[nH+]ccn3c2)CCS1(=O)=O ZINC000177164860 396167946 /nfs/dbraw/zinc/16/79/46/396167946.db2.gz YKAYUKGTPIJFIM-UHFFFAOYSA-N 1 2 307.375 0.984 10 0 DCAELO Cc1cc(N2CC[C@@H]([N@H+](C)Cc3cnccn3)C2=O)n(C)n1 ZINC000177250179 396170219 /nfs/dbraw/zinc/17/02/19/396170219.db2.gz UKOQJPUTDBQUTB-CYBMUJFWSA-N 1 2 300.366 0.756 10 0 DCAELO Cc1cc(N2CC[C@@H]([N@@H+](C)Cc3cnccn3)C2=O)n(C)n1 ZINC000177250179 396170221 /nfs/dbraw/zinc/17/02/21/396170221.db2.gz UKOQJPUTDBQUTB-CYBMUJFWSA-N 1 2 300.366 0.756 10 0 DCAELO CC(C)(C)C(=O)N1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000262691662 396173244 /nfs/dbraw/zinc/17/32/44/396173244.db2.gz AMLCRWZFTIHWIU-SNVBAGLBSA-N 1 2 303.353 0.701 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)NCCOCc2ccccc2)C1 ZINC000177486500 396177084 /nfs/dbraw/zinc/17/70/84/396177084.db2.gz VVEXHAZVRFQVDP-HNNXBMFYSA-N 1 2 307.394 0.833 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)NCCOCc2ccccc2)C1 ZINC000177486500 396177088 /nfs/dbraw/zinc/17/70/88/396177088.db2.gz VVEXHAZVRFQVDP-HNNXBMFYSA-N 1 2 307.394 0.833 10 0 DCAELO COc1ccc([C@H](O)CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)cc1 ZINC000262942861 396193032 /nfs/dbraw/zinc/19/30/32/396193032.db2.gz IYCWUTMSYLRXOM-VXGBXAGGSA-N 1 2 300.305 0.842 10 0 DCAELO O=C(c1ccco1)N1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263000876 396197155 /nfs/dbraw/zinc/19/71/55/396197155.db2.gz OTTJDUHPTSATNT-SNVBAGLBSA-N 1 2 313.304 0.561 10 0 DCAELO O=C(Cn1cc(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)cn1)NC1CC1 ZINC000263066444 396199928 /nfs/dbraw/zinc/19/99/28/396199928.db2.gz VYJKHHYIZHKWSS-SNVBAGLBSA-N 1 2 313.308 0.097 10 0 DCAELO Cn1ccnc1CN1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263164864 396204558 /nfs/dbraw/zinc/20/45/58/396204558.db2.gz FDFHAUJIIXIABP-LLVKDONJSA-N 1 2 313.352 0.062 10 0 DCAELO CNC(=O)c1ccc(N2CCN(C3=[NH+]C[C@@H](C)S3)CC2)nn1 ZINC000080605902 396283535 /nfs/dbraw/zinc/28/35/35/396283535.db2.gz KBXJTJAEQFVRIF-SNVBAGLBSA-N 1 2 320.422 0.450 10 0 DCAELO COc1ccccc1C(=O)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000183881686 396276661 /nfs/dbraw/zinc/27/66/61/396276661.db2.gz JPTXIXZLAGLBIT-CYBMUJFWSA-N 1 2 318.373 0.857 10 0 DCAELO COc1ccccc1C(=O)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000183881686 396276662 /nfs/dbraw/zinc/27/66/62/396276662.db2.gz JPTXIXZLAGLBIT-CYBMUJFWSA-N 1 2 318.373 0.857 10 0 DCAELO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1CO)N1CCSc2ccccc21 ZINC000179177041 396223383 /nfs/dbraw/zinc/22/33/83/396223383.db2.gz XMIDNEDQNNRSQU-NEPJUHHUSA-N 1 2 308.403 0.553 10 0 DCAELO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1CO)N1CCSc2ccccc21 ZINC000179177041 396223386 /nfs/dbraw/zinc/22/33/86/396223386.db2.gz XMIDNEDQNNRSQU-NEPJUHHUSA-N 1 2 308.403 0.553 10 0 DCAELO C[C@@H](Cn1cncn1)NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000263768199 396230359 /nfs/dbraw/zinc/23/03/59/396230359.db2.gz MSTPMFXIXROHQT-NSHDSACASA-N 1 2 303.370 0.699 10 0 DCAELO Cn1cc(-c2cc(C[N@H+](C)CC(=O)N3CCOCC3)on2)cn1 ZINC000184978065 396312695 /nfs/dbraw/zinc/31/26/95/396312695.db2.gz QAQUHTHGXNXOAC-UHFFFAOYSA-N 1 2 319.365 0.366 10 0 DCAELO Cn1cc(-c2cc(C[N@@H+](C)CC(=O)N3CCOCC3)on2)cn1 ZINC000184978065 396312698 /nfs/dbraw/zinc/31/26/98/396312698.db2.gz QAQUHTHGXNXOAC-UHFFFAOYSA-N 1 2 319.365 0.366 10 0 DCAELO O=S(=O)(c1ccc(C[N@H+]2C[C@H](O)C[C@@H]2CO)cc1)C(F)F ZINC000185137959 396318758 /nfs/dbraw/zinc/31/87/58/396318758.db2.gz ZTGNEQVCCDLYGH-GHMZBOCLSA-N 1 2 321.345 0.610 10 0 DCAELO O=S(=O)(c1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2CO)cc1)C(F)F ZINC000185137959 396318760 /nfs/dbraw/zinc/31/87/60/396318760.db2.gz ZTGNEQVCCDLYGH-GHMZBOCLSA-N 1 2 321.345 0.610 10 0 DCAELO Cc1sc2[nH]c(C[N@@H+]3C[C@H](O)C[C@@H]3CO)nc(=O)c2c1C ZINC000185155847 396319299 /nfs/dbraw/zinc/31/92/99/396319299.db2.gz HPCIDBWECVOTQN-NXEZZACHSA-N 1 2 309.391 0.529 10 0 DCAELO Cc1sc2[nH]c(C[N@H+]3C[C@H](O)C[C@@H]3CO)nc(=O)c2c1C ZINC000185155847 396319300 /nfs/dbraw/zinc/31/93/00/396319300.db2.gz HPCIDBWECVOTQN-NXEZZACHSA-N 1 2 309.391 0.529 10 0 DCAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@]1(O)CCSC1 ZINC000184474510 396296666 /nfs/dbraw/zinc/29/66/66/396296666.db2.gz JMWKNIQXGXUMSW-TZMCWYRMSA-N 1 2 302.440 0.472 10 0 DCAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@]1(O)CCSC1 ZINC000184474510 396296669 /nfs/dbraw/zinc/29/66/69/396296669.db2.gz JMWKNIQXGXUMSW-TZMCWYRMSA-N 1 2 302.440 0.472 10 0 DCAELO CCOC(=O)C[N@@H+]1CCCN(C(=O)CCc2ccnn2C)CC1 ZINC000184734080 396304054 /nfs/dbraw/zinc/30/40/54/396304054.db2.gz OTKSLQZTZBQDOI-UHFFFAOYSA-N 1 2 322.409 0.450 10 0 DCAELO CCOC(=O)C[N@H+]1CCCN(C(=O)CCc2ccnn2C)CC1 ZINC000184734080 396304055 /nfs/dbraw/zinc/30/40/55/396304055.db2.gz OTKSLQZTZBQDOI-UHFFFAOYSA-N 1 2 322.409 0.450 10 0 DCAELO CC[C@H]1CN(S(=O)(=O)CCCCOC)CC[N@@H+]1CCOC ZINC000184749871 396305146 /nfs/dbraw/zinc/30/51/46/396305146.db2.gz NSFQKSPZASSKCB-AWEZNQCLSA-N 1 2 322.471 0.785 10 0 DCAELO CC[C@H]1CN(S(=O)(=O)CCCCOC)CC[N@H+]1CCOC ZINC000184749871 396305147 /nfs/dbraw/zinc/30/51/47/396305147.db2.gz NSFQKSPZASSKCB-AWEZNQCLSA-N 1 2 322.471 0.785 10 0 DCAELO CC[C@@H](C)NC(=O)C[NH+]1CCN(C[C@@H](O)C(F)(F)F)CC1 ZINC000185159330 396320446 /nfs/dbraw/zinc/32/04/46/396320446.db2.gz ZJCLCDCIDMJXPY-GHMZBOCLSA-N 1 2 311.348 0.442 10 0 DCAELO CC[C@@H](C)NC(=O)CN1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000185159330 396320447 /nfs/dbraw/zinc/32/04/47/396320447.db2.gz ZJCLCDCIDMJXPY-GHMZBOCLSA-N 1 2 311.348 0.442 10 0 DCAELO CN(C(=O)C[N@@H+]1C[C@H](O)C[C@@H]1CO)c1nc2ccccc2s1 ZINC000185161860 396320564 /nfs/dbraw/zinc/32/05/64/396320564.db2.gz QHEKCJAHUXQFEC-GHMZBOCLSA-N 1 2 321.402 0.687 10 0 DCAELO CN(C(=O)C[N@H+]1C[C@H](O)C[C@@H]1CO)c1nc2ccccc2s1 ZINC000185161860 396320565 /nfs/dbraw/zinc/32/05/65/396320565.db2.gz QHEKCJAHUXQFEC-GHMZBOCLSA-N 1 2 321.402 0.687 10 0 DCAELO CCc1nnc(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)[nH]1 ZINC000185163031 396320579 /nfs/dbraw/zinc/32/05/79/396320579.db2.gz VSAQPZWPMVSXKJ-GFCCVEGCSA-N 1 2 307.398 0.438 10 0 DCAELO CCc1nnc(C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)[nH]1 ZINC000185163031 396320580 /nfs/dbraw/zinc/32/05/80/396320580.db2.gz VSAQPZWPMVSXKJ-GFCCVEGCSA-N 1 2 307.398 0.438 10 0 DCAELO Cn1nc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1OC(F)F ZINC000185343509 396324968 /nfs/dbraw/zinc/32/49/68/396324968.db2.gz MGDULUAUKMWLNB-MRVPVSSYSA-N 1 2 304.297 0.082 10 0 DCAELO Cn1nc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1OC(F)F ZINC000185343509 396324971 /nfs/dbraw/zinc/32/49/71/396324971.db2.gz MGDULUAUKMWLNB-MRVPVSSYSA-N 1 2 304.297 0.082 10 0 DCAELO C[C@@H]([NH2+]CC(=O)N1CCNC1=O)c1cn(-c2ccccc2)nn1 ZINC000185473970 396328887 /nfs/dbraw/zinc/32/88/87/396328887.db2.gz BPLNCXIECOMOMB-LLVKDONJSA-N 1 2 314.349 0.470 10 0 DCAELO CC[C@H](O)C[NH+]1CCN(C(=O)c2cc(C(=O)OC)co2)CC1 ZINC000186305922 396347638 /nfs/dbraw/zinc/34/76/38/396347638.db2.gz WOBUYVABDUNHDT-LBPRGKRZSA-N 1 2 310.350 0.595 10 0 DCAELO O=C1c2ccccc2C(=O)N1CCC[N@@H+]1CCO[C@H](CO)C1 ZINC000267345663 396355745 /nfs/dbraw/zinc/35/57/45/396355745.db2.gz DRSIJDCIVBGOGW-LBPRGKRZSA-N 1 2 304.346 0.366 10 0 DCAELO O=C1c2ccccc2C(=O)N1CCC[N@H+]1CCO[C@H](CO)C1 ZINC000267345663 396355747 /nfs/dbraw/zinc/35/57/47/396355747.db2.gz DRSIJDCIVBGOGW-LBPRGKRZSA-N 1 2 304.346 0.366 10 0 DCAELO COCCOCCNC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186370007 396348826 /nfs/dbraw/zinc/34/88/26/396348826.db2.gz UXODYAMAWOFLCD-UHFFFAOYSA-N 1 2 322.409 0.966 10 0 DCAELO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccc2c(c1)NC(=O)C2 ZINC000188501861 396382922 /nfs/dbraw/zinc/38/29/22/396382922.db2.gz FOUAPMMNAMFFMP-AWEZNQCLSA-N 1 2 315.373 0.774 10 0 DCAELO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1ccc2c(c1)NC(=O)C2 ZINC000188501861 396382925 /nfs/dbraw/zinc/38/29/25/396382925.db2.gz FOUAPMMNAMFFMP-AWEZNQCLSA-N 1 2 315.373 0.774 10 0 DCAELO C[C@@H]1CN(C(=O)CSCc2cccnc2)CC[N@@H+]1CCO ZINC000188807710 396386573 /nfs/dbraw/zinc/38/65/73/396386573.db2.gz CXKWXDLRYAOJAT-CYBMUJFWSA-N 1 2 309.435 0.840 10 0 DCAELO C[C@@H]1CN(C(=O)CSCc2cccnc2)CC[N@H+]1CCO ZINC000188807710 396386576 /nfs/dbraw/zinc/38/65/76/396386576.db2.gz CXKWXDLRYAOJAT-CYBMUJFWSA-N 1 2 309.435 0.840 10 0 DCAELO COC(=O)Cc1cccc(C(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000188815937 396387492 /nfs/dbraw/zinc/38/74/92/396387492.db2.gz PVNWVLGWSSVZDV-AWEZNQCLSA-N 1 2 306.362 0.463 10 0 DCAELO COC(=O)Cc1cccc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000188815937 396387494 /nfs/dbraw/zinc/38/74/94/396387494.db2.gz PVNWVLGWSSVZDV-AWEZNQCLSA-N 1 2 306.362 0.463 10 0 DCAELO COCCn1ccc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)n1 ZINC000189924945 396400986 /nfs/dbraw/zinc/40/09/86/396400986.db2.gz OBZHHDOGPWMMPU-CYBMUJFWSA-N 1 2 308.382 0.076 10 0 DCAELO CCC[C@@H](C)NC(=O)[C@H](C)[N@@H+]1CCCN(CCOC)C(=O)C1 ZINC000190772377 396410840 /nfs/dbraw/zinc/41/08/40/396410840.db2.gz MFXBXYGEPCIVOQ-KGLIPLIRSA-N 1 2 313.442 0.860 10 0 DCAELO CCC[C@@H](C)NC(=O)[C@H](C)[N@H+]1CCCN(CCOC)C(=O)C1 ZINC000190772377 396410843 /nfs/dbraw/zinc/41/08/43/396410843.db2.gz MFXBXYGEPCIVOQ-KGLIPLIRSA-N 1 2 313.442 0.860 10 0 DCAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1cc(-c2ccco2)on1 ZINC000192707592 396435740 /nfs/dbraw/zinc/43/57/40/396435740.db2.gz GWUIYKAOVCLDDS-NSHDSACASA-N 1 2 321.333 0.358 10 0 DCAELO CO[C@H]1C[C@H](c2nc(C)no2)N(CC[N@@H+]2CCO[C@H](C)C2)C1 ZINC000192835538 396439100 /nfs/dbraw/zinc/43/91/00/396439100.db2.gz XZVSATZFSFBJJN-KWCYVHTRSA-N 1 2 310.398 0.861 10 0 DCAELO CO[C@H]1C[C@H](c2nc(C)no2)N(CC[N@H+]2CCO[C@H](C)C2)C1 ZINC000192835538 396439103 /nfs/dbraw/zinc/43/91/03/396439103.db2.gz XZVSATZFSFBJJN-KWCYVHTRSA-N 1 2 310.398 0.861 10 0 DCAELO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](CCN2CCO[C@H](C)C2)C1 ZINC000192835538 396439106 /nfs/dbraw/zinc/43/91/06/396439106.db2.gz XZVSATZFSFBJJN-KWCYVHTRSA-N 1 2 310.398 0.861 10 0 DCAELO CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](CCN2CCO[C@H](C)C2)C1 ZINC000192835538 396439109 /nfs/dbraw/zinc/43/91/09/396439109.db2.gz XZVSATZFSFBJJN-KWCYVHTRSA-N 1 2 310.398 0.861 10 0 DCAELO O=C(C[N@@H+]1CCN2CCOC[C@H]2C1)N1CCc2ccccc21 ZINC000371828180 396477861 /nfs/dbraw/zinc/47/78/61/396477861.db2.gz FHNQCUBACRTTQH-OAHLLOKOSA-N 1 2 301.390 0.592 10 0 DCAELO O=C(C[N@H+]1CCN2CCOC[C@H]2C1)N1CCc2ccccc21 ZINC000371828180 396477863 /nfs/dbraw/zinc/47/78/63/396477863.db2.gz FHNQCUBACRTTQH-OAHLLOKOSA-N 1 2 301.390 0.592 10 0 DCAELO Cc1nn2c(C[N@@H+]3CCN4CCOC[C@@H]4C3)c(C)nc2s1 ZINC000371889276 396479617 /nfs/dbraw/zinc/47/96/17/396479617.db2.gz WWFMUUDZSXWHIR-LBPRGKRZSA-N 1 2 307.423 0.924 10 0 DCAELO Cc1nn2c(C[N@H+]3CCN4CCOC[C@@H]4C3)c(C)nc2s1 ZINC000371889276 396479618 /nfs/dbraw/zinc/47/96/18/396479618.db2.gz WWFMUUDZSXWHIR-LBPRGKRZSA-N 1 2 307.423 0.924 10 0 DCAELO CCN(C(=O)C(=O)Nc1ccc2[nH+]ccn2c1)[C@H]1CCNC1=O ZINC000581230099 396535972 /nfs/dbraw/zinc/53/59/72/396535972.db2.gz YNLGRRLVSGONAF-NSHDSACASA-N 1 2 315.333 0.010 10 0 DCAELO C[N@@H+]1CCO[C@H](C(=O)N2C[C@H](O)C[C@@H]2c2cccc(F)c2)C1 ZINC000374218474 396647966 /nfs/dbraw/zinc/64/79/66/396647966.db2.gz SEJVFQCVOZREIH-KFWWJZLASA-N 1 2 308.353 0.791 10 0 DCAELO C[N@H+]1CCO[C@H](C(=O)N2C[C@H](O)C[C@@H]2c2cccc(F)c2)C1 ZINC000374218474 396647968 /nfs/dbraw/zinc/64/79/68/396647968.db2.gz SEJVFQCVOZREIH-KFWWJZLASA-N 1 2 308.353 0.791 10 0 DCAELO COc1ccccc1[C@H]1CN(C(=O)C2CN(C(C)=O)C2)CC[NH2+]1 ZINC000374329913 396656313 /nfs/dbraw/zinc/65/63/13/396656313.db2.gz WCMBVFOKQOKMFT-OAHLLOKOSA-N 1 2 317.389 0.646 10 0 DCAELO C[C@@H]1CCCN(C(=O)C(=O)N2CC[NH2+][C@@H](c3cccnc3)C2)C1 ZINC000374362912 396658003 /nfs/dbraw/zinc/65/80/03/396658003.db2.gz GZNBSBYFBQVPNP-UKRRQHHQSA-N 1 2 316.405 0.813 10 0 DCAELO CC(C)CCOCCNC(=O)C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000375242715 396721149 /nfs/dbraw/zinc/72/11/49/396721149.db2.gz PVSUBDKNXVTJKQ-HNNXBMFYSA-N 1 2 313.442 0.182 10 0 DCAELO CC(C)CCOCCNC(=O)C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000375242715 396721152 /nfs/dbraw/zinc/72/11/52/396721152.db2.gz PVSUBDKNXVTJKQ-HNNXBMFYSA-N 1 2 313.442 0.182 10 0 DCAELO CCS(=O)(=O)N1CC(CNc2nc(N)c3ccccc3[nH+]2)C1 ZINC000302595879 396721453 /nfs/dbraw/zinc/72/14/53/396721453.db2.gz XIUZXKRPGXAVRP-UHFFFAOYSA-N 1 2 321.406 0.905 10 0 DCAELO CCc1nnc2n1CCN(C1C[NH+](C[C@@H](O)C(F)(F)F)C1)C2 ZINC000328636078 396829613 /nfs/dbraw/zinc/82/96/13/396829613.db2.gz NVROHWIYGROFMM-SNVBAGLBSA-N 1 2 319.331 0.264 10 0 DCAELO Cn1ncc2c1C[C@H](C(=O)N1CC[C@H]3OCC[N@H+](C)[C@@H]3C1)CC2 ZINC000328860195 396834415 /nfs/dbraw/zinc/83/44/15/396834415.db2.gz AHSJASWRBSBCDH-DAXOMENPSA-N 1 2 318.421 0.457 10 0 DCAELO Cn1ncc2c1C[C@H](C(=O)N1CC[C@H]3OCC[N@@H+](C)[C@@H]3C1)CC2 ZINC000328860195 396834418 /nfs/dbraw/zinc/83/44/18/396834418.db2.gz AHSJASWRBSBCDH-DAXOMENPSA-N 1 2 318.421 0.457 10 0 DCAELO CCCC[C@@H](C(=O)OC)[NH+]1CCN(Cc2nnc(C)[nH]2)CC1 ZINC000611430793 396866688 /nfs/dbraw/zinc/86/66/88/396866688.db2.gz BTQTZMCTWDPZCY-ZDUSSCGKSA-N 1 2 309.414 0.963 10 0 DCAELO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1C[C@H](C(N)=O)O[C@@H](C)C1 ZINC000625737339 396990612 /nfs/dbraw/zinc/99/06/12/396990612.db2.gz ZTAVCLVCLPIMAN-ZUWCUPBKSA-N 1 2 311.426 0.454 10 0 DCAELO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1C[C@H](C(N)=O)O[C@@H](C)C1 ZINC000625737339 396990617 /nfs/dbraw/zinc/99/06/17/396990617.db2.gz ZTAVCLVCLPIMAN-ZUWCUPBKSA-N 1 2 311.426 0.454 10 0 DCAELO O[C@H](CN1CCN(c2ccc(F)cn2)CC1)C[NH+]1CCOCC1 ZINC000378467970 397244792 /nfs/dbraw/zinc/24/47/92/397244792.db2.gz YFCNZBQTOMMWTO-OAHLLOKOSA-N 1 2 324.400 0.036 10 0 DCAELO Cn1cccc1-c1nnc(N2CC[C@H]([NH+]3CCOCC3)C2)n1C ZINC000407971534 397342749 /nfs/dbraw/zinc/34/27/49/397342749.db2.gz BSVZQDVDZYSYGU-ZDUSSCGKSA-N 1 2 316.409 0.732 10 0 DCAELO CCNC(=O)NC(=O)C[N@@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000408042450 397345267 /nfs/dbraw/zinc/34/52/67/397345267.db2.gz HGXWKZCVFKANTM-YNEHKIRRSA-N 1 2 313.398 0.084 10 0 DCAELO CCNC(=O)NC(=O)C[N@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000408042450 397345273 /nfs/dbraw/zinc/34/52/73/397345273.db2.gz HGXWKZCVFKANTM-YNEHKIRRSA-N 1 2 313.398 0.084 10 0 DCAELO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000408249455 397351328 /nfs/dbraw/zinc/35/13/28/397351328.db2.gz VYEKXSATOYEUTD-VXGBXAGGSA-N 1 2 302.440 0.895 10 0 DCAELO CCOC(=O)c1ncc(C[N@@H+]2C[C@@H](O)C[C@@]2(C)CO)s1 ZINC000602898644 397517633 /nfs/dbraw/zinc/51/76/33/397517633.db2.gz LRUXLOYIXPNGKK-ZANVPECISA-N 1 2 300.380 0.637 10 0 DCAELO CCOC(=O)c1ncc(C[N@H+]2C[C@@H](O)C[C@@]2(C)CO)s1 ZINC000602898644 397517635 /nfs/dbraw/zinc/51/76/35/397517635.db2.gz LRUXLOYIXPNGKK-ZANVPECISA-N 1 2 300.380 0.637 10 0 DCAELO C[C@H]1C[C@@H]1CNC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000605847199 397672732 /nfs/dbraw/zinc/67/27/32/397672732.db2.gz IZDPRLMKTOFDGJ-DZGCQCFKSA-N 1 2 322.453 0.886 10 0 DCAELO CC(C)[C@@H](NC(N)=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046617113 158001652 /nfs/dbraw/zinc/00/16/52/158001652.db2.gz KEIFINWWOGZLJA-CQSZACIVSA-N 1 2 319.409 0.860 10 0 DCAELO CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(=O)NC(=O)NC1CCCCC1 ZINC000053815886 158019914 /nfs/dbraw/zinc/01/99/14/158019914.db2.gz QJHDJZLRPSHTMX-CYBMUJFWSA-N 1 2 324.425 0.698 10 0 DCAELO CN(C)C(=O)[C@H]1CCC[N@H+]1CC(=O)NC(=O)NC1CCCCC1 ZINC000053815886 158019916 /nfs/dbraw/zinc/01/99/16/158019916.db2.gz QJHDJZLRPSHTMX-CYBMUJFWSA-N 1 2 324.425 0.698 10 0 DCAELO C[C@H](CNC(=O)Cn1c2ccccc2[nH]c1=O)[NH+]1CCOCC1 ZINC000076942855 158066703 /nfs/dbraw/zinc/06/67/03/158066703.db2.gz MATKJRXZLSSXMJ-GFCCVEGCSA-N 1 2 318.377 0.167 10 0 DCAELO C[C@H]1COC[C@H](C)[NH+]1CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000077365979 158068058 /nfs/dbraw/zinc/06/80/58/158068058.db2.gz YOTZNDKRHNYWHO-STQMWFEESA-N 1 2 309.410 0.176 10 0 DCAELO Cc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000083700426 158087235 /nfs/dbraw/zinc/08/72/35/158087235.db2.gz QVLZPOLZBDVAAX-DGCLKSJQSA-N 1 2 322.413 0.441 10 0 DCAELO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1nc(N)nc(N)n1 ZINC000105895155 158132665 /nfs/dbraw/zinc/13/26/65/158132665.db2.gz KELPXOWAFWLDIR-JTQLQIEISA-N 1 2 302.386 0.723 10 0 DCAELO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1nc(N)nc(N)n1 ZINC000105895155 158132668 /nfs/dbraw/zinc/13/26/68/158132668.db2.gz KELPXOWAFWLDIR-JTQLQIEISA-N 1 2 302.386 0.723 10 0 DCAELO COC(=O)c1ccc(CCC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000109264612 158136341 /nfs/dbraw/zinc/13/63/41/158136341.db2.gz MHVCOCAJZIKUQP-OAHLLOKOSA-N 1 2 320.389 0.853 10 0 DCAELO CCCNC(=O)CCCC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000114858584 158157825 /nfs/dbraw/zinc/15/78/25/158157825.db2.gz OPORTNWSFGSTFY-CQSZACIVSA-N 1 2 311.426 0.662 10 0 DCAELO CCCNC(=O)CCCC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000114858584 158157826 /nfs/dbraw/zinc/15/78/26/158157826.db2.gz OPORTNWSFGSTFY-CQSZACIVSA-N 1 2 311.426 0.662 10 0 DCAELO CNC(=O)[C@H]1CCCN(C(=O)NCc2ccc[nH+]c2N(C)C)C1 ZINC000114927120 158160387 /nfs/dbraw/zinc/16/03/87/158160387.db2.gz KPCGDBTVKQGPSG-ZDUSSCGKSA-N 1 2 319.409 0.815 10 0 DCAELO CCCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116891543 158168748 /nfs/dbraw/zinc/16/87/48/158168748.db2.gz MOEHHGAYBMZVMI-NEPJUHHUSA-N 1 2 305.444 0.305 10 0 DCAELO CCCCCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116891543 158168749 /nfs/dbraw/zinc/16/87/49/158168749.db2.gz MOEHHGAYBMZVMI-NEPJUHHUSA-N 1 2 305.444 0.305 10 0 DCAELO COCC[N@@H+]1CCN(S(=O)(=O)N2CCCCCC2)C[C@H]1C ZINC000117369527 158171912 /nfs/dbraw/zinc/17/19/12/158171912.db2.gz JYNLEZYOGIONFL-CQSZACIVSA-N 1 2 319.471 0.760 10 0 DCAELO COCC[N@H+]1CCN(S(=O)(=O)N2CCCCCC2)C[C@H]1C ZINC000117369527 158171915 /nfs/dbraw/zinc/17/19/15/158171915.db2.gz JYNLEZYOGIONFL-CQSZACIVSA-N 1 2 319.471 0.760 10 0 DCAELO Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCO2)c(F)c1 ZINC000118115852 158176210 /nfs/dbraw/zinc/17/62/10/158176210.db2.gz SVXPTLUOGLPKHK-LLVKDONJSA-N 1 2 309.341 0.519 10 0 DCAELO Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c(F)c1 ZINC000118115852 158176211 /nfs/dbraw/zinc/17/62/11/158176211.db2.gz SVXPTLUOGLPKHK-LLVKDONJSA-N 1 2 309.341 0.519 10 0 DCAELO CCOC(=O)C(C)(C)C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000120021563 158192272 /nfs/dbraw/zinc/19/22/72/158192272.db2.gz ZEYCPMCEQNDSHJ-QWHCGFSZSA-N 1 2 312.410 0.755 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC(Cn3ccnn3)CC2)C1 ZINC000120241719 158195511 /nfs/dbraw/zinc/19/55/11/158195511.db2.gz HMPXPQJJRIUMRQ-AWEZNQCLSA-N 1 2 322.413 0.030 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)N2CCC(Cn3ccnn3)CC2)C1 ZINC000120241719 158195516 /nfs/dbraw/zinc/19/55/16/158195516.db2.gz HMPXPQJJRIUMRQ-AWEZNQCLSA-N 1 2 322.413 0.030 10 0 DCAELO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)N2CCCCC2)C[C@H]1C ZINC000122326789 158219286 /nfs/dbraw/zinc/21/92/86/158219286.db2.gz KGRQTZMUGKKVMN-CHWSQXEVSA-N 1 2 305.444 0.104 10 0 DCAELO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)N2CCCCC2)C[C@H]1C ZINC000122326789 158219287 /nfs/dbraw/zinc/21/92/87/158219287.db2.gz KGRQTZMUGKKVMN-CHWSQXEVSA-N 1 2 305.444 0.104 10 0 DCAELO CCCC[C@@H](NC(=O)NCC)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000125218014 158251693 /nfs/dbraw/zinc/25/16/93/158251693.db2.gz DYRVWNWTWRZJSR-QWHCGFSZSA-N 1 2 314.430 0.311 10 0 DCAELO CCCC[C@@H](NC(=O)NCC)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000125218014 158251696 /nfs/dbraw/zinc/25/16/96/158251696.db2.gz DYRVWNWTWRZJSR-QWHCGFSZSA-N 1 2 314.430 0.311 10 0 DCAELO COC(=O)c1ccc(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)o1 ZINC000126068605 158262312 /nfs/dbraw/zinc/26/23/12/158262312.db2.gz WQJMKSHOROGIGD-LLVKDONJSA-N 1 2 308.334 0.659 10 0 DCAELO COC(=O)c1ccc(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)o1 ZINC000126068605 158262314 /nfs/dbraw/zinc/26/23/14/158262314.db2.gz WQJMKSHOROGIGD-LLVKDONJSA-N 1 2 308.334 0.659 10 0 DCAELO Cc1ncsc1C[N@H+](C)CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000171750306 158386739 /nfs/dbraw/zinc/38/67/39/158386739.db2.gz HIYNIGLPVYYYPX-LLVKDONJSA-N 1 2 310.423 0.607 10 0 DCAELO Cc1ncsc1C[N@@H+](C)CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000171750306 158386741 /nfs/dbraw/zinc/38/67/41/158386741.db2.gz HIYNIGLPVYYYPX-LLVKDONJSA-N 1 2 310.423 0.607 10 0 DCAELO O=C(CCNC(=O)c1ccco1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172765771 158399618 /nfs/dbraw/zinc/39/96/18/158399618.db2.gz UKEFABDUSCMRSJ-ZDUSSCGKSA-N 1 2 321.377 0.333 10 0 DCAELO COCCC(=O)N1CCC(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000262894961 158846833 /nfs/dbraw/zinc/84/68/33/158846833.db2.gz CYNUEZUJFZOAED-LLVKDONJSA-N 1 2 319.352 0.127 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnc4nccnc4c3)C[C@H]21 ZINC000328852417 159035074 /nfs/dbraw/zinc/03/50/74/159035074.db2.gz BUBOTCPXLYGKLB-ZIAGYGMSSA-N 1 2 313.361 0.570 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnc4nccnc4c3)C[C@H]21 ZINC000328852417 159035076 /nfs/dbraw/zinc/03/50/76/159035076.db2.gz BUBOTCPXLYGKLB-ZIAGYGMSSA-N 1 2 313.361 0.570 10 0 DCAELO CO[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C[C@H]1OC ZINC000329526317 159100030 /nfs/dbraw/zinc/10/00/30/159100030.db2.gz SXOLPEWBPHMBTG-RRFJBIMHSA-N 1 2 312.410 0.360 10 0 DCAELO CO[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C[C@H]1OC ZINC000329526317 159100032 /nfs/dbraw/zinc/10/00/32/159100032.db2.gz SXOLPEWBPHMBTG-RRFJBIMHSA-N 1 2 312.410 0.360 10 0 DCAELO Cc1nc(S(=O)(=O)N2C[C@H]3CCCC[N@H+]3C[C@H]2C)cn1C ZINC000329629243 159108213 /nfs/dbraw/zinc/10/82/13/159108213.db2.gz HLHBSKVHYNESJL-DGCLKSJQSA-N 1 2 312.439 0.976 10 0 DCAELO Cc1nc(S(=O)(=O)N2C[C@H]3CCCC[N@@H+]3C[C@H]2C)cn1C ZINC000329629243 159108216 /nfs/dbraw/zinc/10/82/16/159108216.db2.gz HLHBSKVHYNESJL-DGCLKSJQSA-N 1 2 312.439 0.976 10 0 DCAELO C[C@H]1CCCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000368415101 159392956 /nfs/dbraw/zinc/39/29/56/159392956.db2.gz YHVQOXWWEYAKRS-KBPBESRZSA-N 1 2 309.410 0.178 10 0 DCAELO C[C@H](C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)C1CCOCC1 ZINC000407997452 160007195 /nfs/dbraw/zinc/00/71/95/160007195.db2.gz WCZPCXWAKDDRNI-LBPRGKRZSA-N 1 2 311.426 0.457 10 0 DCAELO CC(C)OCCS(=O)(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000408016021 160011936 /nfs/dbraw/zinc/01/19/36/160011936.db2.gz HBWPRVORZXMAFT-QWHCGFSZSA-N 1 2 306.428 0.146 10 0 DCAELO CC(C)OCCS(=O)(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000408016021 160011937 /nfs/dbraw/zinc/01/19/37/160011937.db2.gz HBWPRVORZXMAFT-QWHCGFSZSA-N 1 2 306.428 0.146 10 0 DCAELO COC[C@H]1C[N@H+](CC(=O)N2C[C@@H](C)O[C@@H](C)C2)CC(C)(C)O1 ZINC000408029425 160016092 /nfs/dbraw/zinc/01/60/92/160016092.db2.gz BUFJZTLULHAISY-HZSPNIEDSA-N 1 2 314.426 0.748 10 0 DCAELO COC[C@H]1C[N@@H+](CC(=O)N2C[C@@H](C)O[C@@H](C)C2)CC(C)(C)O1 ZINC000408029425 160016094 /nfs/dbraw/zinc/01/60/94/160016094.db2.gz BUFJZTLULHAISY-HZSPNIEDSA-N 1 2 314.426 0.748 10 0 DCAELO C[C@H](C[N@@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O)CS(C)(=O)=O ZINC000408043390 160020624 /nfs/dbraw/zinc/02/06/24/160020624.db2.gz KFUKPKYLLLZUCR-LXTVHRRPSA-N 1 2 319.467 0.919 10 0 DCAELO C[C@H](C[N@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O)CS(C)(=O)=O ZINC000408043390 160020625 /nfs/dbraw/zinc/02/06/25/160020625.db2.gz KFUKPKYLLLZUCR-LXTVHRRPSA-N 1 2 319.467 0.919 10 0 DCAELO CS(=O)(=O)CCC[N@@H+]1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000408047109 160023070 /nfs/dbraw/zinc/02/30/70/160023070.db2.gz ZDBGXHAFNAJFCQ-MCIONIFRSA-N 1 2 305.440 0.673 10 0 DCAELO CS(=O)(=O)CCC[N@H+]1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000408047109 160023072 /nfs/dbraw/zinc/02/30/72/160023072.db2.gz ZDBGXHAFNAJFCQ-MCIONIFRSA-N 1 2 305.440 0.673 10 0 DCAELO O=C(NCc1cn2c([nH+]1)CCCC2)N1CCS(=O)(=O)CC1 ZINC000408071305 160028123 /nfs/dbraw/zinc/02/81/23/160028123.db2.gz NGGGGKZVTASTAY-UHFFFAOYSA-N 1 2 312.395 0.159 10 0 DCAELO CC[C@H](C)[C@H](NC(C)=O)C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000408083229 160031948 /nfs/dbraw/zinc/03/19/48/160031948.db2.gz IOWPBJYAVDHURH-MXAVVETBSA-N 1 2 311.426 0.469 10 0 DCAELO CC[C@H](C)[C@H](NC(C)=O)C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000408083229 160031951 /nfs/dbraw/zinc/03/19/51/160031951.db2.gz IOWPBJYAVDHURH-MXAVVETBSA-N 1 2 311.426 0.469 10 0 DCAELO C[C@@H](Sc1nnnn1C1CC1)C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000408113710 160038906 /nfs/dbraw/zinc/03/89/06/160038906.db2.gz UOCYIOMXLNKVSE-VHSXEESVSA-N 1 2 310.427 0.651 10 0 DCAELO C[C@@H](Sc1nnnn1C1CC1)C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000408113710 160038908 /nfs/dbraw/zinc/03/89/08/160038908.db2.gz UOCYIOMXLNKVSE-VHSXEESVSA-N 1 2 310.427 0.651 10 0 DCAELO C[C@H]1CN(S(=O)(=O)NCc2cn3ccccc3[nH+]2)[C@@H](C)CO1 ZINC000408142882 160046862 /nfs/dbraw/zinc/04/68/62/160046862.db2.gz RYEJCPYGFRHOGQ-RYUDHWBXSA-N 1 2 324.406 0.778 10 0 DCAELO C[C@@H](C(=O)N1CCC[C@H](Cn2cncn2)C1)[NH+]1CCN(C)CC1 ZINC000408201977 160059251 /nfs/dbraw/zinc/05/92/51/160059251.db2.gz HCTGMESNFYHERY-GJZGRUSLSA-N 1 2 320.441 0.153 10 0 DCAELO C[C@H](C(=O)N1CCC[C@@H](Cn2cncn2)C1)[NH+]1CCN(C)CC1 ZINC000408201979 160059420 /nfs/dbraw/zinc/05/94/20/160059420.db2.gz HCTGMESNFYHERY-HUUCEWRRSA-N 1 2 320.441 0.153 10 0 DCAELO C[C@H]1CCCCN1C(=O)C[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000408224913 160064169 /nfs/dbraw/zinc/06/41/69/160064169.db2.gz XXFSDOGQPDNWQR-QWHCGFSZSA-N 1 2 302.440 0.754 10 0 DCAELO C[C@H]1CCCCN1C(=O)C[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000408224913 160064170 /nfs/dbraw/zinc/06/41/70/160064170.db2.gz XXFSDOGQPDNWQR-QWHCGFSZSA-N 1 2 302.440 0.754 10 0 DCAELO CNC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCc3sccc3C2)C1 ZINC000408253766 160069844 /nfs/dbraw/zinc/06/98/44/160069844.db2.gz AULADICZALBCTR-GFCCVEGCSA-N 1 2 322.434 0.636 10 0 DCAELO CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCc3sccc3C2)C1 ZINC000408253766 160069845 /nfs/dbraw/zinc/06/98/45/160069845.db2.gz AULADICZALBCTR-GFCCVEGCSA-N 1 2 322.434 0.636 10 0 DCAELO C[C@H]1C(=O)NCCCN1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000408288151 160076629 /nfs/dbraw/zinc/07/66/29/160076629.db2.gz VXIBWJIITOFFFK-NSHDSACASA-N 1 2 305.382 0.639 10 0 DCAELO C[C@@H](NS(C)(=O)=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000408400329 160101166 /nfs/dbraw/zinc/10/11/66/160101166.db2.gz QVYYLGLTAUJGKW-SECBINFHSA-N 1 2 300.384 0.053 10 0 DCAELO C[C@@H](NS(C)(=O)=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000408400329 160101167 /nfs/dbraw/zinc/10/11/67/160101167.db2.gz QVYYLGLTAUJGKW-SECBINFHSA-N 1 2 300.384 0.053 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)N2CCCCC2)C[C@@H]1C ZINC000408433069 160106747 /nfs/dbraw/zinc/10/67/47/160106747.db2.gz KGRQTZMUGKKVMN-STQMWFEESA-N 1 2 305.444 0.104 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)N2CCCCC2)C[C@@H]1C ZINC000408433069 160106749 /nfs/dbraw/zinc/10/67/49/160106749.db2.gz KGRQTZMUGKKVMN-STQMWFEESA-N 1 2 305.444 0.104 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)N2CCCC[C@@H]2C)C[C@H]1C ZINC000408433115 160106828 /nfs/dbraw/zinc/10/68/28/160106828.db2.gz KKRYYVQNUWLJKP-MJBXVCDLSA-N 1 2 319.471 0.493 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)N2CCCC[C@@H]2C)C[C@H]1C ZINC000408433115 160106830 /nfs/dbraw/zinc/10/68/30/160106830.db2.gz KKRYYVQNUWLJKP-MJBXVCDLSA-N 1 2 319.471 0.493 10 0 DCAELO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)cn1 ZINC000408448812 160110021 /nfs/dbraw/zinc/11/00/21/160110021.db2.gz BBOMZDCUMYUVPN-STQMWFEESA-N 1 2 313.423 0.466 10 0 DCAELO Cc1ccc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)cn1 ZINC000408448812 160110024 /nfs/dbraw/zinc/11/00/24/160110024.db2.gz BBOMZDCUMYUVPN-STQMWFEESA-N 1 2 313.423 0.466 10 0 DCAELO Cc1nc(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c(=O)[nH]c1C ZINC000152778027 287044138 /nfs/dbraw/zinc/04/41/38/287044138.db2.gz LLBRPGCIZIRJDF-VXGBXAGGSA-N 1 2 308.382 0.226 10 0 DCAELO O=C([C@@H]1CSCCS1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000177347393 287054221 /nfs/dbraw/zinc/05/42/21/287054221.db2.gz WSEMXJZDCBIHFW-NEPJUHHUSA-N 1 2 302.465 0.768 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)CC2CCOCC2)C[C@H]1C ZINC000246034708 287075375 /nfs/dbraw/zinc/07/53/75/287075375.db2.gz AQUXLGOIYLKZLK-OLZOCXBDSA-N 1 2 320.455 0.130 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)CC2CCOCC2)C[C@H]1C ZINC000246034708 287075377 /nfs/dbraw/zinc/07/53/77/287075377.db2.gz AQUXLGOIYLKZLK-OLZOCXBDSA-N 1 2 320.455 0.130 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)N2CCC[C@@H](C)C2)C[C@H]1C ZINC000246204947 287079118 /nfs/dbraw/zinc/07/91/18/287079118.db2.gz QQBNSKASRNYLCL-MCIONIFRSA-N 1 2 319.471 0.350 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)N2CCC[C@@H](C)C2)C[C@H]1C ZINC000246204947 287079121 /nfs/dbraw/zinc/07/91/21/287079121.db2.gz QQBNSKASRNYLCL-MCIONIFRSA-N 1 2 319.471 0.350 10 0 DCAELO CCN(CC)S(=O)(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000246627711 287086264 /nfs/dbraw/zinc/08/62/64/287086264.db2.gz YLEUWDJMQCBJFT-OLZOCXBDSA-N 1 2 305.444 0.226 10 0 DCAELO C[C@H](C(=O)N1CCS(=O)(=O)[C@@H](C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000247361217 287092955 /nfs/dbraw/zinc/09/29/55/287092955.db2.gz MKDRIDHTFNOIKE-QNWHQSFQSA-N 1 2 302.440 0.893 10 0 DCAELO C[C@H](C(=O)N1CCS(=O)(=O)[C@@H](C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000247361217 287092957 /nfs/dbraw/zinc/09/29/57/287092957.db2.gz MKDRIDHTFNOIKE-QNWHQSFQSA-N 1 2 302.440 0.893 10 0 DCAELO CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000375116617 287227162 /nfs/dbraw/zinc/22/71/62/287227162.db2.gz WHHQQBDAQGAWNK-DOMZBBRYSA-N 1 2 313.398 0.348 10 0 DCAELO CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000375116617 287227165 /nfs/dbraw/zinc/22/71/65/287227165.db2.gz WHHQQBDAQGAWNK-DOMZBBRYSA-N 1 2 313.398 0.348 10 0 DCAELO Cc1noc(CCNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000332761077 415466801 /nfs/dbraw/zinc/46/68/01/415466801.db2.gz RPTPDIBHOHEVLC-NWDGAFQWSA-N 1 2 309.370 0.035 10 0 DCAELO Cc1noc(CCNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC000332761077 415466806 /nfs/dbraw/zinc/46/68/06/415466806.db2.gz RPTPDIBHOHEVLC-NWDGAFQWSA-N 1 2 309.370 0.035 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)CNC(=O)CC3CCCC3)C[C@@H]21 ZINC000332759569 415466970 /nfs/dbraw/zinc/46/69/70/415466970.db2.gz PJBPSLOGQNMVSI-GJZGRUSLSA-N 1 2 323.437 0.614 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)CNC(=O)CC3CCCC3)C[C@@H]21 ZINC000332759569 415466974 /nfs/dbraw/zinc/46/69/74/415466974.db2.gz PJBPSLOGQNMVSI-GJZGRUSLSA-N 1 2 323.437 0.614 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)CNC(=O)C3CCCCC3)C[C@H]21 ZINC000332757918 415467224 /nfs/dbraw/zinc/46/72/24/415467224.db2.gz RERDOIPEZYWKKR-CABCVRRESA-N 1 2 323.437 0.614 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)CNC(=O)C3CCCCC3)C[C@H]21 ZINC000332757918 415467233 /nfs/dbraw/zinc/46/72/33/415467233.db2.gz RERDOIPEZYWKKR-CABCVRRESA-N 1 2 323.437 0.614 10 0 DCAELO C[C@@H]1CC[C@@H](C(=O)N2CC[C@@H]([N@H+](C)Cc3nccc(N)n3)C2)O1 ZINC000333028280 415534761 /nfs/dbraw/zinc/53/47/61/415534761.db2.gz LLFXITZDUAEQPR-UPJWGTAASA-N 1 2 319.409 0.659 10 0 DCAELO C[C@@H]1CC[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)Cc3nccc(N)n3)C2)O1 ZINC000333028280 415534763 /nfs/dbraw/zinc/53/47/63/415534763.db2.gz LLFXITZDUAEQPR-UPJWGTAASA-N 1 2 319.409 0.659 10 0 DCAELO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1CCO[C@H]1C1CC1 ZINC000333060695 415546519 /nfs/dbraw/zinc/54/65/19/415546519.db2.gz SFWXRAVPXZBTLA-YUELXQCFSA-N 1 2 311.426 0.916 10 0 DCAELO Cc1ncc(C[NH+]2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)s1 ZINC000110943617 415684561 /nfs/dbraw/zinc/68/45/61/415684561.db2.gz PKZQRKJJTKUUTJ-GFCCVEGCSA-N 1 2 308.407 0.374 10 0 DCAELO CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)CC1 ZINC000333776515 415737380 /nfs/dbraw/zinc/73/73/80/415737380.db2.gz TZHJLOAPTZCFAH-BFHYXJOUSA-N 1 2 321.421 0.224 10 0 DCAELO CNS(=O)(=O)c1cc(C(=O)N2CC[NH+](C3CC3)CC2)co1 ZINC000123601249 415842246 /nfs/dbraw/zinc/84/22/46/415842246.db2.gz APSMERFEABBXNU-UHFFFAOYSA-N 1 2 313.379 0.108 10 0 DCAELO COC(=O)C1(C(=O)NCc2cccnc2-n2cc[nH+]c2)CC1 ZINC000124938145 415855864 /nfs/dbraw/zinc/85/58/64/415855864.db2.gz TXGVIRSVINDHLE-UHFFFAOYSA-N 1 2 300.318 0.837 10 0 DCAELO COc1cnc(NC(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)nc1 ZINC000297105824 415951038 /nfs/dbraw/zinc/95/10/38/415951038.db2.gz MLYVUCNUDPNWKK-YPMHNXCESA-N 1 2 321.381 0.670 10 0 DCAELO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCCS1(=O)=O ZINC000153556565 415982996 /nfs/dbraw/zinc/98/29/96/415982996.db2.gz WCYKQCGHTPCOBN-LSDHHAIUSA-N 1 2 324.446 0.853 10 0 DCAELO Cc1nc(Cl)ccc1C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000132755078 415936884 /nfs/dbraw/zinc/93/68/84/415936884.db2.gz HJGYHAOPSOSKMH-NSHDSACASA-N 1 2 313.785 0.466 10 0 DCAELO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@H]2CCCOC2)CC1 ZINC000172352602 416045070 /nfs/dbraw/zinc/04/50/70/416045070.db2.gz LAUUJJWZCMRVTH-OCCSQVGLSA-N 1 2 324.425 0.160 10 0 DCAELO CCC[N@@H+]1CCC[C@H]1C(=O)NCC1(S(C)(=O)=O)CCC1 ZINC000357340427 416063959 /nfs/dbraw/zinc/06/39/59/416063959.db2.gz ZPSIHBNTJHHMHX-LBPRGKRZSA-N 1 2 302.440 0.944 10 0 DCAELO CCC[N@H+]1CCC[C@H]1C(=O)NCC1(S(C)(=O)=O)CCC1 ZINC000357340427 416063962 /nfs/dbraw/zinc/06/39/62/416063962.db2.gz ZPSIHBNTJHHMHX-LBPRGKRZSA-N 1 2 302.440 0.944 10 0 DCAELO CCCS(=O)(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000173901396 416067759 /nfs/dbraw/zinc/06/77/59/416067759.db2.gz GULGMUXFUHGRFH-NSHDSACASA-N 1 2 313.427 0.817 10 0 DCAELO CCCS(=O)(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000173901396 416067762 /nfs/dbraw/zinc/06/77/62/416067762.db2.gz GULGMUXFUHGRFH-NSHDSACASA-N 1 2 313.427 0.817 10 0 DCAELO C[C@H](O)CC(C)(C)CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173912973 416067821 /nfs/dbraw/zinc/06/78/21/416067821.db2.gz XDLVGLOORGXBPN-KBPBESRZSA-N 1 2 313.442 0.900 10 0 DCAELO Cc1ccccc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000174008077 416071941 /nfs/dbraw/zinc/07/19/41/416071941.db2.gz NOBBBKHBCGMXLU-CQSZACIVSA-N 1 2 317.389 0.867 10 0 DCAELO CCC(=O)N1CC[C@H](C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)C1 ZINC000162125238 416015447 /nfs/dbraw/zinc/01/54/47/416015447.db2.gz XZUFTIMQQRKGCC-QLFBSQMISA-N 1 2 323.437 0.424 10 0 DCAELO C[N@@H+](CC(N)=O)C[C@H]1CN(C/C=C\c2ccc(F)cc2)CCO1 ZINC000337884123 416019339 /nfs/dbraw/zinc/01/93/39/416019339.db2.gz UQRAXKPAWVGHKG-YPQKKHBXSA-N 1 2 321.396 0.957 10 0 DCAELO C[N@H+](CC(N)=O)C[C@H]1CN(C/C=C\c2ccc(F)cc2)CCO1 ZINC000337884123 416019344 /nfs/dbraw/zinc/01/93/44/416019344.db2.gz UQRAXKPAWVGHKG-YPQKKHBXSA-N 1 2 321.396 0.957 10 0 DCAELO CN(CC(N)=O)C[C@H]1C[N@H+](C/C=C\c2ccc(F)cc2)CCO1 ZINC000337884123 416019347 /nfs/dbraw/zinc/01/93/47/416019347.db2.gz UQRAXKPAWVGHKG-YPQKKHBXSA-N 1 2 321.396 0.957 10 0 DCAELO CN(CC(N)=O)C[C@H]1C[N@@H+](C/C=C\c2ccc(F)cc2)CCO1 ZINC000337884123 416019351 /nfs/dbraw/zinc/01/93/51/416019351.db2.gz UQRAXKPAWVGHKG-YPQKKHBXSA-N 1 2 321.396 0.957 10 0 DCAELO O=C(Cn1[nH]c(=O)ccc1=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000175013463 416094932 /nfs/dbraw/zinc/09/49/32/416094932.db2.gz HJZXAFYVBLEDGW-UHFFFAOYSA-N 1 2 320.393 0.060 10 0 DCAELO O=C(Cc1ccc(-n2cnnn2)cc1)N1CCn2cc[nH+]c2C1 ZINC000357574040 416098557 /nfs/dbraw/zinc/09/85/57/416098557.db2.gz ZHYKXNFVNIWBDY-UHFFFAOYSA-N 1 2 309.333 0.444 10 0 DCAELO O[C@H](CNc1ncnc2c(F)cccc12)C[NH+]1CCOCC1 ZINC000302786713 416099416 /nfs/dbraw/zinc/09/94/16/416099416.db2.gz WFKXWYWURPKOHA-LLVKDONJSA-N 1 2 306.341 0.874 10 0 DCAELO O=C(CCOC1CCOCC1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000175417320 416106458 /nfs/dbraw/zinc/10/64/58/416106458.db2.gz HRSJPOCBKUZONW-OAHLLOKOSA-N 1 2 312.410 0.552 10 0 DCAELO O=C(CCOC1CCOCC1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000175417320 416106462 /nfs/dbraw/zinc/10/64/62/416106462.db2.gz HRSJPOCBKUZONW-OAHLLOKOSA-N 1 2 312.410 0.552 10 0 DCAELO Cc1cc(N2CC[C@H]([N@@H+](C)Cc3cnn(C)c3)C2=O)n(C)n1 ZINC000175494986 416107698 /nfs/dbraw/zinc/10/76/98/416107698.db2.gz FJCIPFRPQYSFTL-ZDUSSCGKSA-N 1 2 302.382 0.699 10 0 DCAELO Cc1cc(N2CC[C@H]([N@H+](C)Cc3cnn(C)c3)C2=O)n(C)n1 ZINC000175494986 416107701 /nfs/dbraw/zinc/10/77/01/416107701.db2.gz FJCIPFRPQYSFTL-ZDUSSCGKSA-N 1 2 302.382 0.699 10 0 DCAELO CC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000313620589 416108003 /nfs/dbraw/zinc/10/80/03/416108003.db2.gz FBTPRSGHNQXNLR-INIZCTEOSA-N 1 2 306.362 0.647 10 0 DCAELO CC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@@](O)(CO)C1 ZINC000313620589 416108005 /nfs/dbraw/zinc/10/80/05/416108005.db2.gz FBTPRSGHNQXNLR-INIZCTEOSA-N 1 2 306.362 0.647 10 0 DCAELO CCN1CCN(C(=O)CN2CCCC2=O)C[C@H]1c1[nH+]ccn1C ZINC000328616092 416123982 /nfs/dbraw/zinc/12/39/82/416123982.db2.gz BJBSZBIKTRECKT-ZDUSSCGKSA-N 1 2 319.409 0.248 10 0 DCAELO CN(C)c1[nH+]cccc1N(C)C(=O)CN(C)S(C)(=O)=O ZINC000176796607 416135102 /nfs/dbraw/zinc/13/51/02/416135102.db2.gz ONZWGLGNXNLJHM-UHFFFAOYSA-N 1 2 300.384 0.002 10 0 DCAELO C[C@@H](CN1CCOCC1)NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177399088 416144495 /nfs/dbraw/zinc/14/44/95/416144495.db2.gz ARBVQXLHHNCPTB-LSDHHAIUSA-N 1 2 321.425 0.778 10 0 DCAELO Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[NH+]3CCN2CC3)cc1C ZINC000178959076 416179024 /nfs/dbraw/zinc/17/90/24/416179024.db2.gz DWDQUUHDXHJMLU-OAHLLOKOSA-N 1 2 316.405 0.358 10 0 DCAELO Cc1cccc(NC(=O)C(=O)NC[C@H]2C[NH+]3CCN2CC3)c1 ZINC000178957204 416179709 /nfs/dbraw/zinc/17/97/09/416179709.db2.gz FOALAMUHUJFIMW-AWEZNQCLSA-N 1 2 302.378 0.050 10 0 DCAELO COc1n[nH]c(NC(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC000179362610 416187138 /nfs/dbraw/zinc/18/71/38/416187138.db2.gz IPDRBHBYQWWGBM-DCAQKATOSA-N 1 2 311.386 0.886 10 0 DCAELO COC(=O)c1coc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000186341543 416256817 /nfs/dbraw/zinc/25/68/17/416256817.db2.gz VKIRGCGCFWUMPJ-LBPRGKRZSA-N 1 2 308.334 0.613 10 0 DCAELO Cc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c(C)c1 ZINC000190033507 416273770 /nfs/dbraw/zinc/27/37/70/416273770.db2.gz CSFSWMGBKSCUNT-AWEZNQCLSA-N 1 2 319.405 0.767 10 0 DCAELO Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c(C)c1 ZINC000190033507 416273774 /nfs/dbraw/zinc/27/37/74/416273774.db2.gz CSFSWMGBKSCUNT-AWEZNQCLSA-N 1 2 319.405 0.767 10 0 DCAELO Cn1nnc(C[NH2+][C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)n1 ZINC000193494064 416317056 /nfs/dbraw/zinc/31/70/56/416317056.db2.gz WQFMLCIJCIIYMR-SMDDNHRTSA-N 1 2 320.784 0.925 10 0 DCAELO Cc1cc(C)nc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1 ZINC000193913945 416321408 /nfs/dbraw/zinc/32/14/08/416321408.db2.gz HLSQSXPVPAZAHK-CYBMUJFWSA-N 1 2 320.393 0.162 10 0 DCAELO Cc1cc(C)nc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1 ZINC000193913945 416321410 /nfs/dbraw/zinc/32/14/10/416321410.db2.gz HLSQSXPVPAZAHK-CYBMUJFWSA-N 1 2 320.393 0.162 10 0 DCAELO CCS(=O)(=O)N1CC[NH+](C[C@@H](O)CC2CCCC2)CC1 ZINC000190492409 416279813 /nfs/dbraw/zinc/27/98/13/416279813.db2.gz JXBUMGKEBCPUOK-AWEZNQCLSA-N 1 2 304.456 0.895 10 0 DCAELO C[C@@H]1CN(CC(=O)N(C)c2nccs2)C[C@H]1[NH+]1CCOCC1 ZINC000246294128 416331788 /nfs/dbraw/zinc/33/17/88/416331788.db2.gz BFOZJZDFMMQQRE-CHWSQXEVSA-N 1 2 324.450 0.758 10 0 DCAELO C[C@@H]1C[N@H+](CC(=O)N(C)c2nccs2)C[C@H]1N1CCOCC1 ZINC000246294128 416331789 /nfs/dbraw/zinc/33/17/89/416331789.db2.gz BFOZJZDFMMQQRE-CHWSQXEVSA-N 1 2 324.450 0.758 10 0 DCAELO C[C@@H]1C[N@@H+](CC(=O)N(C)c2nccs2)C[C@H]1N1CCOCC1 ZINC000246294128 416331790 /nfs/dbraw/zinc/33/17/90/416331790.db2.gz BFOZJZDFMMQQRE-CHWSQXEVSA-N 1 2 324.450 0.758 10 0 DCAELO CCN1C[C@@H](C(=O)N2CCN(C)[C@H](c3[nH]cc[nH+]3)C2)CC1=O ZINC000583621040 416479867 /nfs/dbraw/zinc/47/98/67/416479867.db2.gz OWRVDDFLDDSDCE-RYUDHWBXSA-N 1 2 305.382 0.093 10 0 DCAELO CCc1nc(C(C)(C)[NH2+]C[C@H](O)CO[C@H](C)COC)no1 ZINC000441260102 416667449 /nfs/dbraw/zinc/66/74/49/416667449.db2.gz GGELZMWNXAZFDV-MNOVXSKESA-N 1 2 301.387 0.869 10 0 DCAELO Cc1ccc(NC(=O)C(=O)N2CCSC[C@@H]2CCO)c(C)[nH+]1 ZINC000442079639 416685453 /nfs/dbraw/zinc/68/54/53/416685453.db2.gz LIHFXGKRMKEJHH-LBPRGKRZSA-N 1 2 323.418 0.963 10 0 DCAELO COc1cc(NC(=O)C[N@H+](C)CCNC(C)=O)cc(OC)c1 ZINC000520954946 416983745 /nfs/dbraw/zinc/98/37/45/416983745.db2.gz XDTVRTXSHIODOE-UHFFFAOYSA-N 1 2 309.366 0.710 10 0 DCAELO COc1cc(NC(=O)C[N@@H+](C)CCNC(C)=O)cc(OC)c1 ZINC000520954946 416983751 /nfs/dbraw/zinc/98/37/51/416983751.db2.gz XDTVRTXSHIODOE-UHFFFAOYSA-N 1 2 309.366 0.710 10 0 DCAELO CCOC(=O)[C@@H]1C[N@H+](CCNC(=O)OC(C)(C)C)CCN1 ZINC000616634027 417086824 /nfs/dbraw/zinc/08/68/24/417086824.db2.gz KNKMZXWXOHPTQC-NSHDSACASA-N 1 2 301.387 0.348 10 0 DCAELO CCOC(=O)[C@@H]1C[N@@H+](CCNC(=O)OC(C)(C)C)CCN1 ZINC000616634027 417086830 /nfs/dbraw/zinc/08/68/30/417086830.db2.gz KNKMZXWXOHPTQC-NSHDSACASA-N 1 2 301.387 0.348 10 0 DCAELO COC(=O)C(C)(C)N1CC[NH+](Cc2ccnc(OC)n2)CC1 ZINC000449260370 417134044 /nfs/dbraw/zinc/13/40/44/417134044.db2.gz VXCBYRSVJLMJGJ-UHFFFAOYSA-N 1 2 308.382 0.554 10 0 DCAELO C[C@@H]1CC[S@](=O)CC[N@@H+]1CCN1C(=O)NC(C)(C)C1=O ZINC000408397797 417158617 /nfs/dbraw/zinc/15/86/17/417158617.db2.gz ZIKQFGZTPTZJJK-SBKAZYGRSA-N 1 2 301.412 0.160 10 0 DCAELO C[C@@H]1CC[S@](=O)CC[N@H+]1CCN1C(=O)NC(C)(C)C1=O ZINC000408397797 417158621 /nfs/dbraw/zinc/15/86/21/417158621.db2.gz ZIKQFGZTPTZJJK-SBKAZYGRSA-N 1 2 301.412 0.160 10 0 DCAELO CN(C)c1nc(N2CC[C@@H](NC(N)=O)C2)[nH+]c2ccccc21 ZINC000450414031 417223274 /nfs/dbraw/zinc/22/32/74/417223274.db2.gz WEMQBKUANQMDTP-SNVBAGLBSA-N 1 2 300.366 0.943 10 0 DCAELO CC(=O)N1CC[NH+](CCNC(=O)CCCc2ncc(C)o2)CC1 ZINC000622308762 417425688 /nfs/dbraw/zinc/42/56/88/417425688.db2.gz SGXZKZBUUXUMOC-UHFFFAOYSA-N 1 2 322.409 0.586 10 0 DCAELO CNC(=O)[C@H](C)CN(C)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000575824590 417553649 /nfs/dbraw/zinc/55/36/49/417553649.db2.gz UYTCHNXBVARXFT-SNVBAGLBSA-N 1 2 317.349 0.113 10 0 DCAELO C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(N(C)C)nc1 ZINC000440261849 287395767 /nfs/dbraw/zinc/39/57/67/287395767.db2.gz AJLUOKLCAHRVMT-NSHDSACASA-N 1 2 305.382 0.249 10 0 DCAELO C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(N(C)C)nc1 ZINC000440261849 287395768 /nfs/dbraw/zinc/39/57/68/287395768.db2.gz AJLUOKLCAHRVMT-NSHDSACASA-N 1 2 305.382 0.249 10 0 DCAELO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(Br)cn1 ZINC000628922936 417726530 /nfs/dbraw/zinc/72/65/30/417726530.db2.gz QMGDAVHADBWCTP-JTQLQIEISA-N 1 2 314.183 0.905 10 0 DCAELO C[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(Br)cn1 ZINC000628922936 417726533 /nfs/dbraw/zinc/72/65/33/417726533.db2.gz QMGDAVHADBWCTP-JTQLQIEISA-N 1 2 314.183 0.905 10 0 DCAELO COCCS(=O)(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000173892708 292607337 /nfs/dbraw/zinc/60/73/37/292607337.db2.gz JZXABJUUBIMADS-CYBMUJFWSA-N 1 2 306.428 0.149 10 0 DCAELO NC(=O)[C@H](O)C1CC[NH+](Cc2nc(C3CCCC3)no2)CC1 ZINC000299748095 229391398 /nfs/dbraw/zinc/39/13/98/229391398.db2.gz FZKXJZTWEHDXHM-CYBMUJFWSA-N 1 2 308.382 0.785 10 0 DCAELO COC[C@H](O)CN1CCNC(=O)[C@H]1c1c(C)[nH+]c2ccccn21 ZINC000361465431 271181519 /nfs/dbraw/zinc/18/15/19/271181519.db2.gz RCFVZJOKWINFEH-IUODEOHRSA-N 1 2 318.377 0.123 10 0 DCAELO COCC(=O)N1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000435137380 271553818 /nfs/dbraw/zinc/55/38/18/271553818.db2.gz LDMFWXYDOXLIIW-UHFFFAOYSA-N 1 2 304.350 0.960 10 0 DCAELO COC(=O)C(C)(C)N1CC[NH+]([C@H]2CCN(C(C)C)C2=O)CC1 ZINC000494389697 272220439 /nfs/dbraw/zinc/22/04/39/272220439.db2.gz XHCJVTKDRHKYJH-ZDUSSCGKSA-N 1 2 311.426 0.565 10 0 DCAELO COCC[N@@H+]1CCN(S(=O)(=O)[C@@H]2CCO[C@H](C)C2)C[C@@H]1C ZINC000408457569 277225213 /nfs/dbraw/zinc/22/52/13/277225213.db2.gz POOOILCXJXBXDT-BFHYXJOUSA-N 1 2 320.455 0.536 10 0 DCAELO COCC[N@H+]1CCN(S(=O)(=O)[C@@H]2CCO[C@H](C)C2)C[C@@H]1C ZINC000408457569 277225214 /nfs/dbraw/zinc/22/52/14/277225214.db2.gz POOOILCXJXBXDT-BFHYXJOUSA-N 1 2 320.455 0.536 10 0 DCAELO CCC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000547674981 288067526 /nfs/dbraw/zinc/06/75/26/288067526.db2.gz LYTGNPZMORDIKN-CHWSQXEVSA-N 1 2 319.409 0.898 10 0 DCAELO CN(Cc1nnnn1C)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000554590785 288331753 /nfs/dbraw/zinc/33/17/53/288331753.db2.gz CXROSAGWWGRDPR-UHFFFAOYSA-N 1 2 311.349 0.727 10 0 DCAELO C[C@H](C[S@](C)=O)N(C)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000559764447 288479399 /nfs/dbraw/zinc/47/93/99/288479399.db2.gz FSVHCUOUIQGMSW-STFLBKPXSA-N 1 2 322.390 0.498 10 0 DCAELO C[C@]1(CNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CCCO1 ZINC000562863121 288604897 /nfs/dbraw/zinc/60/48/97/288604897.db2.gz WKGZYXKJJXGHSW-OAHLLOKOSA-N 1 2 302.334 0.958 10 0 DCAELO C[C@@H]1C[C@H](NC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)CCO1 ZINC000275643972 288732829 /nfs/dbraw/zinc/73/28/29/288732829.db2.gz NVWLCRAKZZUNEG-MCIONIFRSA-N 1 2 321.425 0.986 10 0 DCAELO Cc1nccnc1N1CC[NH+](CC2CCS(=O)(=O)CC2)CC1 ZINC000374143010 293658889 /nfs/dbraw/zinc/65/88/89/293658889.db2.gz LSLYLXMTMRVYHZ-UHFFFAOYSA-N 1 2 324.450 0.732 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](C3CC3)CC2)C[C@@H](C)O1 ZINC000126360761 297050929 /nfs/dbraw/zinc/05/09/29/297050929.db2.gz QOICZCJJMRBYLG-VXGBXAGGSA-N 1 2 303.428 0.120 10 0 DCAELO Cn1cc[nH+]c1[C@@H]1CN(C(=O)NC2CCOCC2)CCN1C ZINC000408301137 294419739 /nfs/dbraw/zinc/41/97/39/294419739.db2.gz OOJWICUDZBINDN-ZDUSSCGKSA-N 1 2 307.398 0.597 10 0 DCAELO C[C@H](C(=O)N1CCCCCC1)[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329156970 298017261 /nfs/dbraw/zinc/01/72/61/298017261.db2.gz CYCPAWMPOKAZAO-HZSPNIEDSA-N 1 2 314.451 0.896 10 0 DCAELO C[C@H](C(=O)N1CCCCCC1)[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329156970 298017264 /nfs/dbraw/zinc/01/72/64/298017264.db2.gz CYCPAWMPOKAZAO-HZSPNIEDSA-N 1 2 314.451 0.896 10 0 DCAELO Cc1ccc(C[NH+]2CCN(C(=O)C(=O)NC3CC3)CC2)c(C)n1 ZINC000186677887 332942575 /nfs/dbraw/zinc/94/25/75/332942575.db2.gz QRBJOMHPLFPIGE-UHFFFAOYSA-N 1 2 316.405 0.621 10 0 DCAELO CCOCC[N@@H+]1CCN(S(=O)(=O)c2cnn(C)c2)C[C@@H]1C ZINC000117368516 519922812 /nfs/dbraw/zinc/92/28/12/519922812.db2.gz IDTGUDFDXVGJSO-LBPRGKRZSA-N 1 2 316.427 0.151 10 0 DCAELO CCOCC[N@H+]1CCN(S(=O)(=O)c2cnn(C)c2)C[C@@H]1C ZINC000117368516 519922816 /nfs/dbraw/zinc/92/28/16/519922816.db2.gz IDTGUDFDXVGJSO-LBPRGKRZSA-N 1 2 316.427 0.151 10 0 DCAELO CCc1cc(=O)n2nc(N[C@@H](C)[C@H]3C[N@H+](C)CCO3)sc2n1 ZINC000154811332 523743162 /nfs/dbraw/zinc/74/31/62/523743162.db2.gz LVVKNCJVMOZLBX-GXSJLCMTSA-N 1 2 323.422 0.844 10 0 DCAELO CCc1cc(=O)n2nc(N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)sc2n1 ZINC000154811332 523743168 /nfs/dbraw/zinc/74/31/68/523743168.db2.gz LVVKNCJVMOZLBX-GXSJLCMTSA-N 1 2 323.422 0.844 10 0 DCAELO C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000246493087 525939867 /nfs/dbraw/zinc/93/98/67/525939867.db2.gz NSGBJVKNMKLTNM-NFAWXSAZSA-N 1 2 319.405 0.608 10 0 DCAELO C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000246493087 525939874 /nfs/dbraw/zinc/93/98/74/525939874.db2.gz NSGBJVKNMKLTNM-NFAWXSAZSA-N 1 2 319.405 0.608 10 0 DCAELO C[C@@H](c1cccnc1)[N@H+](C)CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000245545485 526120554 /nfs/dbraw/zinc/12/05/54/526120554.db2.gz VNDNWSWYVFZGGD-GXTWGEPZSA-N 1 2 304.394 0.798 10 0 DCAELO C[C@@H](c1cccnc1)[N@@H+](C)CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000245545485 526120568 /nfs/dbraw/zinc/12/05/68/526120568.db2.gz VNDNWSWYVFZGGD-GXTWGEPZSA-N 1 2 304.394 0.798 10 0 DCAELO O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)N1CC(CO)C1 ZINC000190600188 526993127 /nfs/dbraw/zinc/99/31/27/526993127.db2.gz QWZYCRXHOWIXTC-MRXNPFEDSA-N 1 2 319.405 0.694 10 0 DCAELO O=Cc1cccc(OCC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000160449719 527152150 /nfs/dbraw/zinc/15/21/50/527152150.db2.gz LKPQHOKOYBFRHK-INIZCTEOSA-N 1 2 318.373 0.857 10 0 DCAELO O=Cc1cccc(OCC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000160449719 527152160 /nfs/dbraw/zinc/15/21/60/527152160.db2.gz LKPQHOKOYBFRHK-INIZCTEOSA-N 1 2 318.373 0.857 10 0 DCAELO CCC(=O)N1CCC[C@H](C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000172743684 528313754 /nfs/dbraw/zinc/31/37/54/528313754.db2.gz GWIGBKLCYSSDBH-GJZGRUSLSA-N 1 2 323.437 0.568 10 0 DCAELO CC(C)n1ncnc1C[N@@H+]1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000299746725 528692013 /nfs/dbraw/zinc/69/20/13/528692013.db2.gz ZJPFYFJHNAJKQP-RKDXNWHRSA-N 1 2 305.304 0.955 10 0 DCAELO CC(C)n1ncnc1C[N@H+]1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000299746725 528692017 /nfs/dbraw/zinc/69/20/17/528692017.db2.gz ZJPFYFJHNAJKQP-RKDXNWHRSA-N 1 2 305.304 0.955 10 0 DCAELO CCN1CCN(C(=O)[C@@]2(O)CCSC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000328614600 529131669 /nfs/dbraw/zinc/13/16/69/529131669.db2.gz ALZCHUCWIJUZEH-BXUZGUMPSA-N 1 2 310.423 0.483 10 0 DCAELO C[C@@H](NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)C(C)(C)C ZINC000083722734 545697753 /nfs/dbraw/zinc/69/77/53/545697753.db2.gz QHOKXXPAVFRGNI-OLZOCXBDSA-N 1 2 301.431 0.756 10 0 DCAELO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)CC[C@H]2CCCO2)CC1 ZINC000123296194 545753709 /nfs/dbraw/zinc/75/37/09/545753709.db2.gz VFCFGACMZXIFJK-ZIAGYGMSSA-N 1 2 320.455 0.274 10 0 DCAELO CCCn1cc(C[N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)cn1 ZINC000154092647 545835806 /nfs/dbraw/zinc/83/58/06/545835806.db2.gz UFSDKJSXGYPHGL-ZDUSSCGKSA-N 1 2 300.428 0.807 10 0 DCAELO CCCn1cc(C[N@H+]2CCC[C@H](NS(C)(=O)=O)C2)cn1 ZINC000154092647 545835812 /nfs/dbraw/zinc/83/58/12/545835812.db2.gz UFSDKJSXGYPHGL-ZDUSSCGKSA-N 1 2 300.428 0.807 10 0 DCAELO COc1c(C[N@@H+]2CCC[C@@H](NS(C)(=O)=O)C2)c(C)nn1C ZINC000154106443 545837067 /nfs/dbraw/zinc/83/70/67/545837067.db2.gz JVNORXNFMAHTDC-LLVKDONJSA-N 1 2 316.427 0.251 10 0 DCAELO COc1c(C[N@H+]2CCC[C@@H](NS(C)(=O)=O)C2)c(C)nn1C ZINC000154106443 545837069 /nfs/dbraw/zinc/83/70/69/545837069.db2.gz JVNORXNFMAHTDC-LLVKDONJSA-N 1 2 316.427 0.251 10 0 DCAELO C[C@@H](C(=O)Nc1ncccn1)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173984301 545884282 /nfs/dbraw/zinc/88/42/82/545884282.db2.gz NNYFMVCQAGEFQB-STQMWFEESA-N 1 2 305.382 0.210 10 0 DCAELO C[C@@H](C(=O)Nc1ncccn1)[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173984301 545884285 /nfs/dbraw/zinc/88/42/85/545884285.db2.gz NNYFMVCQAGEFQB-STQMWFEESA-N 1 2 305.382 0.210 10 0 DCAELO C[C@@H](C(=O)Nc1ncccn1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173984301 545884290 /nfs/dbraw/zinc/88/42/90/545884290.db2.gz NNYFMVCQAGEFQB-STQMWFEESA-N 1 2 305.382 0.210 10 0 DCAELO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1coc(Br)c1 ZINC000178626628 545896134 /nfs/dbraw/zinc/89/61/34/545896134.db2.gz GDLPXLISCSOJSJ-JTQLQIEISA-N 1 2 314.183 0.772 10 0 DCAELO C[C@H](CNC(=O)c1ccc(-c2nc[nH]n2)cc1)[NH+]1CCOCC1 ZINC000184386246 545910973 /nfs/dbraw/zinc/91/09/73/545910973.db2.gz DKPRSWUHCCGZIG-GFCCVEGCSA-N 1 2 315.377 0.922 10 0 DCAELO COc1cccc(C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)c1F ZINC000192955064 545929542 /nfs/dbraw/zinc/92/95/42/545929542.db2.gz LMJJXPDTEXFUMB-LLVKDONJSA-N 1 2 302.371 0.958 10 0 DCAELO COc1cccc(C[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)c1F ZINC000192955064 545929545 /nfs/dbraw/zinc/92/95/45/545929545.db2.gz LMJJXPDTEXFUMB-LLVKDONJSA-N 1 2 302.371 0.958 10 0 DCAELO C[C@H]1CN(Cc2cnc(NS(C)(=O)=O)s2)CC[C@@H]1[NH3+] ZINC000725272291 548750318 /nfs/dbraw/zinc/75/03/18/548750318.db2.gz OOGLQWZBYBTIHF-WPRPVWTQSA-N 1 2 304.441 0.684 10 0 DCAELO CCC(CC)(CNC(=O)[C@@H](C)N1CC[NH2+]CC1=O)SC ZINC000705765262 667375211 /nfs/dbraw/zinc/37/52/11/667375211.db2.gz AXVVXEZTPHNSNZ-LLVKDONJSA-N 1 2 301.456 0.845 10 0 DCAELO COC(=O)c1cn(C[N@@H+]2CCC[C@H](c3nc(C)no3)C2)nn1 ZINC000068961882 665456006 /nfs/dbraw/zinc/45/60/06/665456006.db2.gz OUNNNGCLQHLOBA-JTQLQIEISA-N 1 2 306.326 0.593 10 0 DCAELO COC(=O)c1cn(C[N@H+]2CCC[C@H](c3nc(C)no3)C2)nn1 ZINC000068961882 665456007 /nfs/dbraw/zinc/45/60/07/665456007.db2.gz OUNNNGCLQHLOBA-JTQLQIEISA-N 1 2 306.326 0.593 10 0 DCAELO C[C@H](O)C[NH+]1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000178686054 658739915 /nfs/dbraw/zinc/73/99/15/658739915.db2.gz OJCPKFGUFPHMJU-GMMCIKNFSA-N 1 2 310.419 0.986 10 0 DCAELO C[C@@H]1CN(C(=O)[C@@H]2CC(F)(F)CN2)C[C@@H]1[NH+]1CCOCC1 ZINC000262690571 662531530 /nfs/dbraw/zinc/53/15/30/662531530.db2.gz AEMSXAGMAVGIJD-WOPDTQHZSA-N 1 2 303.353 0.163 10 0 DCAELO COC(=O)c1cn(C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)nn1 ZINC000054521608 662884392 /nfs/dbraw/zinc/88/43/92/662884392.db2.gz RHMKRLPYSUKFTF-LBPRGKRZSA-N 1 2 321.381 0.260 10 0 DCAELO COC(=O)c1cn(C[N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)nn1 ZINC000054521608 662884393 /nfs/dbraw/zinc/88/43/93/662884393.db2.gz RHMKRLPYSUKFTF-LBPRGKRZSA-N 1 2 321.381 0.260 10 0 DCAELO COc1c(C)[nH]cc(CN(C)C(=O)[C@@H]2C[N@H+](C)C[C@H](C)O2)c1=O ZINC000913320198 664305005 /nfs/dbraw/zinc/30/50/05/664305005.db2.gz QPCULWJUKHJFLX-GWCFXTLKSA-N 1 2 323.393 0.369 10 0 DCAELO COc1c(C)[nH]cc(CN(C)C(=O)[C@@H]2C[N@@H+](C)C[C@H](C)O2)c1=O ZINC000913320198 664305006 /nfs/dbraw/zinc/30/50/06/664305006.db2.gz QPCULWJUKHJFLX-GWCFXTLKSA-N 1 2 323.393 0.369 10 0 DCAELO O=C1c2ccccc2C(=O)N1CN1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172962507 664626305 /nfs/dbraw/zinc/62/63/05/664626305.db2.gz QTARNKUMBWFQQQ-CYBMUJFWSA-N 1 2 315.373 0.647 10 0 DCAELO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C1=COCCC1 ZINC000731336099 664854497 /nfs/dbraw/zinc/85/44/97/664854497.db2.gz NCGLFUMPIKROEH-UHFFFAOYSA-N 1 2 306.366 0.848 10 0 DCAELO O[C@H](Cn1cccn1)C[NH+]1CC(OCc2nc(C3CC3)no2)C1 ZINC000886079061 667729651 /nfs/dbraw/zinc/72/96/51/667729651.db2.gz CLMSCNLYZCRMPQ-LBPRGKRZSA-N 1 2 319.365 0.405 10 0 DCAELO CO[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@H](Cc3noc(C)n3)C2)C1 ZINC000189124077 670091564 /nfs/dbraw/zinc/09/15/64/670091564.db2.gz HUJCXIJKXZJMMX-CHWSQXEVSA-N 1 2 308.382 0.837 10 0 DCAELO CO[C@@H]1CC(=O)N(C[N@H+]2CCC[C@H](Cc3noc(C)n3)C2)C1 ZINC000189124077 670091570 /nfs/dbraw/zinc/09/15/70/670091570.db2.gz HUJCXIJKXZJMMX-CHWSQXEVSA-N 1 2 308.382 0.837 10 0 DCAELO Cn1cc(C[NH2+]CC(=O)N2CCOCC2)c(Br)n1 ZINC000712471417 670149767 /nfs/dbraw/zinc/14/97/67/670149767.db2.gz SOQFKZHSLUHQLA-UHFFFAOYSA-N 1 2 317.187 0.131 10 0 DCAELO CCCn1cc([C@@H](C)[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)nn1 ZINC000715917862 670225568 /nfs/dbraw/zinc/22/55/68/670225568.db2.gz BZCRROLROYFYBB-GHMZBOCLSA-N 1 2 301.416 0.373 10 0 DCAELO COCc1nc(C[NH2+]CCS(=O)(=O)N2CCCC2)cs1 ZINC000721845822 685319321 /nfs/dbraw/zinc/31/93/21/685319321.db2.gz RLTFSFZLEYLLFY-UHFFFAOYSA-N 1 2 319.452 0.805 10 0 DCAELO C[C@@H](CNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1)N1CCOCC1 ZINC000177394604 685147342 /nfs/dbraw/zinc/14/73/42/685147342.db2.gz SJYUOCWZRVSTMZ-GJZGRUSLSA-N 1 2 321.425 0.778 10 0 DCAELO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CC(=O)N1CCO[C@@H](C)C1 ZINC000248887319 685177068 /nfs/dbraw/zinc/17/70/68/685177068.db2.gz YBOLKUZQDRRSMB-XPCVCDNBSA-N 1 2 310.394 0.507 10 0 DCAELO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CC(=O)N1CCO[C@@H](C)C1 ZINC000248887319 685177071 /nfs/dbraw/zinc/17/70/71/685177071.db2.gz YBOLKUZQDRRSMB-XPCVCDNBSA-N 1 2 310.394 0.507 10 0 DCAELO C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CC[NH+](C2CC2)CC1 ZINC000255897769 685188533 /nfs/dbraw/zinc/18/85/33/685188533.db2.gz QFEPYRXCWJYQKB-CYBMUJFWSA-N 1 2 317.437 0.995 10 0 DCAELO C[C@H]([NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1nncn1C ZINC000037293520 1171436617 /nfs/dbraw/zinc/43/66/17/1171436617.db2.gz FBMMRKSNFWVPIH-UWVGGRQHSA-N 1 2 309.395 0.874 10 0 DCAELO Cc1ncc(C[NH+]2CCN(C(=O)Nc3ncnn3C)CC2)s1 ZINC000181259589 199272485 /nfs/dbraw/zinc/27/24/85/199272485.db2.gz RRNXISWVGYWOHI-UHFFFAOYSA-N 1 2 321.410 0.930 10 0 DCAELO CC(=O)N1CCC[C@@](O)(C(=O)Nc2ccc3[nH+]c(C)cn3c2)C1 ZINC000286615414 219083926 /nfs/dbraw/zinc/08/39/26/219083926.db2.gz CCDLXZSADOMHID-INIZCTEOSA-N 1 2 316.361 0.955 10 0 DCAELO Cc1cc(CS(=O)(=O)N2CC[NH+](CC(C)(C)O)CC2)no1 ZINC000071382128 190964640 /nfs/dbraw/zinc/96/46/40/190964640.db2.gz SSPSMCRSKPDVSZ-UHFFFAOYSA-N 1 2 317.411 0.201 10 0 DCAELO CCC[N@H+](C[C@@H](C)CS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 ZINC000176960557 283269993 /nfs/dbraw/zinc/26/99/93/283269993.db2.gz RPMSQRSZBBGABL-VXGBXAGGSA-N 1 2 311.469 0.566 10 0 DCAELO CCC[N@@H+](C[C@@H](C)CS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 ZINC000176960557 283269994 /nfs/dbraw/zinc/26/99/94/283269994.db2.gz RPMSQRSZBBGABL-VXGBXAGGSA-N 1 2 311.469 0.566 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccnn2C(C)(C)C)C1 ZINC000180684639 199195995 /nfs/dbraw/zinc/19/59/95/199195995.db2.gz APQDTIJLHHDMMB-LLVKDONJSA-N 1 2 323.397 0.023 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccnn2C(C)(C)C)C1 ZINC000180684639 199195997 /nfs/dbraw/zinc/19/59/97/199195997.db2.gz APQDTIJLHHDMMB-LLVKDONJSA-N 1 2 323.397 0.023 10 0 DCAELO Cc1cnc(CC[N@@H+](C)CC(=O)N[C@@H](C)C(=O)N(C)C)s1 ZINC000157730936 291229616 /nfs/dbraw/zinc/22/96/16/291229616.db2.gz CMGUQIZXZDRDLJ-NSHDSACASA-N 1 2 312.439 0.519 10 0 DCAELO Cc1cnc(CC[N@H+](C)CC(=O)N[C@@H](C)C(=O)N(C)C)s1 ZINC000157730936 291229618 /nfs/dbraw/zinc/22/96/18/291229618.db2.gz CMGUQIZXZDRDLJ-NSHDSACASA-N 1 2 312.439 0.519 10 0 DCAELO Cc1cc(C(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)cc(=O)[nH]1 ZINC000276511653 238321421 /nfs/dbraw/zinc/32/14/21/238321421.db2.gz CJSDJOFQVARQHP-ZDUSSCGKSA-N 1 2 315.377 0.958 10 0 DCAELO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)o1 ZINC000408396931 239267874 /nfs/dbraw/zinc/26/78/74/239267874.db2.gz VIUXPUABUADFJZ-MNOVXSKESA-N 1 2 302.396 0.664 10 0 DCAELO Cc1ccc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)o1 ZINC000408396931 239267876 /nfs/dbraw/zinc/26/78/76/239267876.db2.gz VIUXPUABUADFJZ-MNOVXSKESA-N 1 2 302.396 0.664 10 0 DCAELO C[C@H](NC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1)[C@H]1CCCO1 ZINC000275456832 212345010 /nfs/dbraw/zinc/34/50/10/212345010.db2.gz RNNIUCKAQQRHCJ-BFHYXJOUSA-N 1 2 321.425 0.986 10 0 DCAELO CN(C)c1ccc(NC(=O)NC[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000091983982 193136367 /nfs/dbraw/zinc/13/63/67/193136367.db2.gz OONFAYHFVAXYIO-OAHLLOKOSA-N 1 2 322.409 0.567 10 0 DCAELO CC[N@H+](CC(=O)NC(N)=O)CC(=O)Nc1c(C)cccc1C ZINC000130073122 284396197 /nfs/dbraw/zinc/39/61/97/284396197.db2.gz YKUDOWXNKDSEEV-UHFFFAOYSA-N 1 2 306.366 0.759 10 0 DCAELO CC[N@@H+](CC(=O)NC(N)=O)CC(=O)Nc1c(C)cccc1C ZINC000130073122 284396200 /nfs/dbraw/zinc/39/62/00/284396200.db2.gz YKUDOWXNKDSEEV-UHFFFAOYSA-N 1 2 306.366 0.759 10 0 DCAELO O=C(c1ccc2nccnc2n1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000333452072 284694126 /nfs/dbraw/zinc/69/41/26/284694126.db2.gz NTHNXDYJEMOIQM-LBPRGKRZSA-N 1 2 313.361 0.572 10 0 DCAELO COCc1ccc(CNC(=O)NC[C@H]2C[N@H+](C)CCO2)cc1 ZINC000104782611 194039703 /nfs/dbraw/zinc/03/97/03/194039703.db2.gz YRQGUNBNIXJTQE-HNNXBMFYSA-N 1 2 307.394 0.963 10 0 DCAELO COCc1ccc(CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000104782611 194039704 /nfs/dbraw/zinc/03/97/04/194039704.db2.gz YRQGUNBNIXJTQE-HNNXBMFYSA-N 1 2 307.394 0.963 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000104799683 194040815 /nfs/dbraw/zinc/04/08/15/194040815.db2.gz XTIKMMQZIJNODK-AWEZNQCLSA-N 1 2 319.409 0.244 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000104799683 194040817 /nfs/dbraw/zinc/04/08/17/194040817.db2.gz XTIKMMQZIJNODK-AWEZNQCLSA-N 1 2 319.409 0.244 10 0 DCAELO CCc1nc(CCNC(=O)NC[C@H]2C[N@H+](C)CCO2)cs1 ZINC000104795526 194041452 /nfs/dbraw/zinc/04/14/52/194041452.db2.gz YBHZSUZXVIWMJL-LBPRGKRZSA-N 1 2 312.439 0.878 10 0 DCAELO CCc1nc(CCNC(=O)NC[C@H]2C[N@@H+](C)CCO2)cs1 ZINC000104795526 194041454 /nfs/dbraw/zinc/04/14/54/194041454.db2.gz YBHZSUZXVIWMJL-LBPRGKRZSA-N 1 2 312.439 0.878 10 0 DCAELO Cc1cc(NC(=O)C[N@@H+]2CCCN(c3cccnn3)CC2)no1 ZINC000105798190 194130824 /nfs/dbraw/zinc/13/08/24/194130824.db2.gz MIDVIHRQSKJQGX-UHFFFAOYSA-N 1 2 316.365 0.924 10 0 DCAELO Cc1cc(NC(=O)C[N@H+]2CCCN(c3cccnn3)CC2)no1 ZINC000105798190 194130825 /nfs/dbraw/zinc/13/08/25/194130825.db2.gz MIDVIHRQSKJQGX-UHFFFAOYSA-N 1 2 316.365 0.924 10 0 DCAELO Cc1noc([C@H](C)N2CC[NH+](CCN3C(=O)CCC3=O)CC2)n1 ZINC000105864561 194149552 /nfs/dbraw/zinc/14/95/52/194149552.db2.gz BCMGKPPBSSNGJK-NSHDSACASA-N 1 2 321.381 0.206 10 0 DCAELO CCCNC(=O)[C@@H](C)[NH+]1CCN(c2nccc(OCC)n2)CC1 ZINC000105868450 194151894 /nfs/dbraw/zinc/15/18/94/194151894.db2.gz UGIKXXCKBYEICZ-CYBMUJFWSA-N 1 2 321.425 0.912 10 0 DCAELO COCCCNC(=O)[C@H](C)[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000105889900 194159506 /nfs/dbraw/zinc/15/95/06/194159506.db2.gz CDWSTCSKXZCUAJ-KBPBESRZSA-N 1 2 310.398 0.125 10 0 DCAELO COCCCNC(=O)[C@H](C)[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000105889900 194159508 /nfs/dbraw/zinc/15/95/08/194159508.db2.gz CDWSTCSKXZCUAJ-KBPBESRZSA-N 1 2 310.398 0.125 10 0 DCAELO C[C@H](CNC(=O)c1ccccc1-n1cnnn1)[NH+]1CCOCC1 ZINC000105994792 194177593 /nfs/dbraw/zinc/17/75/93/194177593.db2.gz BAEZCEJDVRODTE-GFCCVEGCSA-N 1 2 316.365 0.113 10 0 DCAELO COc1cnc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)nc1 ZINC000340169174 253210588 /nfs/dbraw/zinc/21/05/88/253210588.db2.gz ODGLSLJVGGLGTM-ZDUSSCGKSA-N 1 2 320.393 0.812 10 0 DCAELO C[C@@H]1COCCN1C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000341324795 253367600 /nfs/dbraw/zinc/36/76/00/253367600.db2.gz SMFLBGFSTJLNOL-CYBMUJFWSA-N 1 2 305.378 0.775 10 0 DCAELO O=C([C@@H]1CN(c2ncccn2)Cc2c[nH+]cn21)N1CCCCO1 ZINC000247853372 257116078 /nfs/dbraw/zinc/11/60/78/257116078.db2.gz JNRLCZAORKZRQN-ZDUSSCGKSA-N 1 2 314.349 0.788 10 0 DCAELO C[C@H](Cn1cccn1)NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000284043081 131043458 /nfs/dbraw/zinc/04/34/58/131043458.db2.gz OXOZASYNSIZPKG-HZSPNIEDSA-N 1 2 307.398 0.386 10 0 DCAELO C[C@H](Cn1cccn1)NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000284043081 131043459 /nfs/dbraw/zinc/04/34/59/131043459.db2.gz OXOZASYNSIZPKG-HZSPNIEDSA-N 1 2 307.398 0.386 10 0 DCAELO CNC(=O)NCC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000089573495 395713302 /nfs/dbraw/zinc/71/33/02/395713302.db2.gz WAKSHUDKEMDDTE-LLVKDONJSA-N 1 2 301.350 0.979 10 0 DCAELO COCC[N@@H+]1C[C@@H]2C[NH+](Cc3[nH]cnc3C)C[C@]2(C(=O)[O-])C1 ZINC000096165106 395746630 /nfs/dbraw/zinc/74/66/30/395746630.db2.gz TVGOJZHWCJEUQN-IUODEOHRSA-N 1 2 308.382 0.183 10 0 DCAELO COCC[N@H+]1C[C@@H]2C[NH+](Cc3[nH]cnc3C)C[C@]2(C(=O)[O-])C1 ZINC000096165106 395746631 /nfs/dbraw/zinc/74/66/31/395746631.db2.gz TVGOJZHWCJEUQN-IUODEOHRSA-N 1 2 308.382 0.183 10 0 DCAELO COCC[NH+]1C[C@@H]2C[N@H+](Cc3[nH]cnc3C)C[C@]2(C(=O)[O-])C1 ZINC000096165106 395746632 /nfs/dbraw/zinc/74/66/32/395746632.db2.gz TVGOJZHWCJEUQN-IUODEOHRSA-N 1 2 308.382 0.183 10 0 DCAELO COCC[NH+]1C[C@@H]2C[N@@H+](Cc3[nH]cnc3C)C[C@]2(C(=O)[O-])C1 ZINC000096165106 395746633 /nfs/dbraw/zinc/74/66/33/395746633.db2.gz TVGOJZHWCJEUQN-IUODEOHRSA-N 1 2 308.382 0.183 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)CCc2nc(-c3ccco3)no2)C1 ZINC000194619425 395802516 /nfs/dbraw/zinc/80/25/16/395802516.db2.gz FMEPANGQTJQJLB-LLVKDONJSA-N 1 2 320.349 0.709 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)CCc2nc(-c3ccco3)no2)C1 ZINC000194619425 395802520 /nfs/dbraw/zinc/80/25/20/395802520.db2.gz FMEPANGQTJQJLB-LLVKDONJSA-N 1 2 320.349 0.709 10 0 DCAELO Cc1cc(S(=O)(=O)NC[C@@H]2C[N@H+](C)CCO2)c(C)s1 ZINC000194733582 395805523 /nfs/dbraw/zinc/80/55/23/395805523.db2.gz XNFDZHLXFXHHPS-LLVKDONJSA-N 1 2 304.437 0.974 10 0 DCAELO Cc1cc(S(=O)(=O)NC[C@@H]2C[N@@H+](C)CCO2)c(C)s1 ZINC000194733582 395805526 /nfs/dbraw/zinc/80/55/26/395805526.db2.gz XNFDZHLXFXHHPS-LLVKDONJSA-N 1 2 304.437 0.974 10 0 DCAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2cn[nH]n2)CC1 ZINC000115389504 395839398 /nfs/dbraw/zinc/83/93/98/395839398.db2.gz ZFMPXXSUZYVRFK-UHFFFAOYSA-N 1 2 303.370 0.113 10 0 DCAELO Cc1nn(C(F)F)c(C)c1CC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000194602572 395800495 /nfs/dbraw/zinc/80/04/95/395800495.db2.gz PNKPNLQNRHWXBI-LLVKDONJSA-N 1 2 316.352 0.884 10 0 DCAELO Cc1nn(C(F)F)c(C)c1CC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000194602572 395800497 /nfs/dbraw/zinc/80/04/97/395800497.db2.gz PNKPNLQNRHWXBI-LLVKDONJSA-N 1 2 316.352 0.884 10 0 DCAELO O=C(Nc1cnc(C2CC2)nc1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000122904389 395890209 /nfs/dbraw/zinc/89/02/09/395890209.db2.gz RLXJCMPNUNNKMS-UHFFFAOYSA-N 1 2 315.377 0.599 10 0 DCAELO Cc1cnc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCOCC2)s1 ZINC000123339077 395893722 /nfs/dbraw/zinc/89/37/22/395893722.db2.gz YLFZCLCBVVBVGE-VIFPVBQESA-N 1 2 312.395 0.227 10 0 DCAELO CCOCCCNC(=O)[C@@H](C)[N@H+](C)CC(=O)NC(C)(C)C ZINC000127059447 395914058 /nfs/dbraw/zinc/91/40/58/395914058.db2.gz KYQHUXMOXVZXFL-GFCCVEGCSA-N 1 2 301.431 0.764 10 0 DCAELO CCOCCCNC(=O)[C@@H](C)[N@@H+](C)CC(=O)NC(C)(C)C ZINC000127059447 395914061 /nfs/dbraw/zinc/91/40/61/395914061.db2.gz KYQHUXMOXVZXFL-GFCCVEGCSA-N 1 2 301.431 0.764 10 0 DCAELO CNC(=O)[C@@H]1CCCN1C(=O)C[N@@H+]1CCc2sccc2C1 ZINC000052432870 395863255 /nfs/dbraw/zinc/86/32/55/395863255.db2.gz CNHKAMGQWBIHSV-LBPRGKRZSA-N 1 2 307.419 0.843 10 0 DCAELO CNC(=O)[C@@H]1CCCN1C(=O)C[N@H+]1CCc2sccc2C1 ZINC000052432870 395863256 /nfs/dbraw/zinc/86/32/56/395863256.db2.gz CNHKAMGQWBIHSV-LBPRGKRZSA-N 1 2 307.419 0.843 10 0 DCAELO CCS[C@@H](C(=O)NC[C@@H](O)C[NH+]1CCOCC1)C(C)C ZINC000133076401 395928236 /nfs/dbraw/zinc/92/82/36/395928236.db2.gz WQDWYAQVZCKEBG-CHWSQXEVSA-N 1 2 304.456 0.573 10 0 DCAELO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@@H]2CCOC[C@H]2C)CC1 ZINC000248852136 395998790 /nfs/dbraw/zinc/99/87/90/395998790.db2.gz JPMSWELVJPULDF-UMVBOHGHSA-N 1 2 323.437 0.470 10 0 DCAELO COCCCNC(=O)C[N@@H+]1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000246493337 395951501 /nfs/dbraw/zinc/95/15/01/395951501.db2.gz KAHRBKNXBBODGT-BFHYXJOUSA-N 1 2 300.399 0.407 10 0 DCAELO COCCCNC(=O)C[N@H+]1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000246493337 395951503 /nfs/dbraw/zinc/95/15/03/395951503.db2.gz KAHRBKNXBBODGT-BFHYXJOUSA-N 1 2 300.399 0.407 10 0 DCAELO COc1cc(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)nn1C ZINC000274708522 395969455 /nfs/dbraw/zinc/96/94/55/395969455.db2.gz SQUWAXCBGLDZCP-YPMHNXCESA-N 1 2 308.382 0.221 10 0 DCAELO O=C1NC[C@H]2C[N@H+](C[C@H](O)c3cccc(Cl)c3)CCN2C1=O ZINC000248147610 395983221 /nfs/dbraw/zinc/98/32/21/395983221.db2.gz QIIKNIHNMIMYJJ-STQMWFEESA-N 1 2 323.780 0.016 10 0 DCAELO O=C1NC[C@H]2C[N@@H+](C[C@H](O)c3cccc(Cl)c3)CCN2C1=O ZINC000248147610 395983222 /nfs/dbraw/zinc/98/32/22/395983222.db2.gz QIIKNIHNMIMYJJ-STQMWFEESA-N 1 2 323.780 0.016 10 0 DCAELO COC(=O)C1(NC[C@@H](O)C[NH+]2CCOCC2)CCCCCC1 ZINC000154769747 396042152 /nfs/dbraw/zinc/04/21/52/396042152.db2.gz OWWMWVIUVSWUCP-CQSZACIVSA-N 1 2 314.426 0.535 10 0 DCAELO COC(=O)C1([NH2+]C[C@@H](O)CN2CCOCC2)CCCCCC1 ZINC000154769747 396042155 /nfs/dbraw/zinc/04/21/55/396042155.db2.gz OWWMWVIUVSWUCP-CQSZACIVSA-N 1 2 314.426 0.535 10 0 DCAELO CCc1noc(CC)c1CNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000155289673 396049679 /nfs/dbraw/zinc/04/96/79/396049679.db2.gz FQLLMLPEBPPFNO-NSHDSACASA-N 1 2 310.398 0.929 10 0 DCAELO CCc1noc(CC)c1CNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000155289673 396049683 /nfs/dbraw/zinc/04/96/83/396049683.db2.gz FQLLMLPEBPPFNO-NSHDSACASA-N 1 2 310.398 0.929 10 0 DCAELO O=C(N[C@H]1CCN(Cc2ccccc2)C1=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000261856633 396072776 /nfs/dbraw/zinc/07/27/76/396072776.db2.gz ABACTNGNANVSDR-STQMWFEESA-N 1 2 323.343 0.901 10 0 DCAELO Nc1ncc(C[N@@H+]2CCCN(S(=O)(=O)C3CC3)CC2)s1 ZINC000261676728 396055668 /nfs/dbraw/zinc/05/56/68/396055668.db2.gz PXJBWNPAQPMOSK-UHFFFAOYSA-N 1 2 316.452 0.725 10 0 DCAELO Nc1ncc(C[N@H+]2CCCN(S(=O)(=O)C3CC3)CC2)s1 ZINC000261676728 396055672 /nfs/dbraw/zinc/05/56/72/396055672.db2.gz PXJBWNPAQPMOSK-UHFFFAOYSA-N 1 2 316.452 0.725 10 0 DCAELO CC[C@H](NS(N)(=O)=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000152310118 396005717 /nfs/dbraw/zinc/00/57/17/396005717.db2.gz WGYKKOAYVBCOFQ-KBPBESRZSA-N 1 2 313.423 0.459 10 0 DCAELO CC[C@H](NS(N)(=O)=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000152310118 396005722 /nfs/dbraw/zinc/00/57/22/396005722.db2.gz WGYKKOAYVBCOFQ-KBPBESRZSA-N 1 2 313.423 0.459 10 0 DCAELO CCc1nnc(C[N@H+](CCC(=O)OC)C[C@@H]2CCCO2)n1C ZINC000172178495 396129249 /nfs/dbraw/zinc/12/92/49/396129249.db2.gz YPMCWCNXTPGSPV-LBPRGKRZSA-N 1 2 310.398 0.922 10 0 DCAELO CCc1nnc(C[N@@H+](CCC(=O)OC)C[C@@H]2CCCO2)n1C ZINC000172178495 396129251 /nfs/dbraw/zinc/12/92/51/396129251.db2.gz YPMCWCNXTPGSPV-LBPRGKRZSA-N 1 2 310.398 0.922 10 0 DCAELO CC1CCC(NC(=O)CN2CC[NH+]([C@H]3CCNC3=O)CC2)CC1 ZINC000178302027 396194232 /nfs/dbraw/zinc/19/42/32/396194232.db2.gz YSNLNXILVSKDSX-NRXISQOPSA-N 1 2 322.453 0.187 10 0 DCAELO O=C(NCc1nncn1-c1ccccc1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263044480 396199282 /nfs/dbraw/zinc/19/92/82/396199282.db2.gz TYJNXVWDURNREX-LLVKDONJSA-N 1 2 307.304 0.881 10 0 DCAELO CCO[C@@H]1C[C@H](O)C12CCN(C(=O)[C@@H]1CC(F)(F)C[NH2+]1)CC2 ZINC000263146717 396202837 /nfs/dbraw/zinc/20/28/37/396202837.db2.gz CVBXUCKEQOUHNX-SDDRHHMPSA-N 1 2 318.364 0.762 10 0 DCAELO Cn1cc(N2CCC[C@H](NC(=O)[C@H]3CC(F)(F)C[NH2+]3)C2)cn1 ZINC000263157128 396203383 /nfs/dbraw/zinc/20/33/83/396203383.db2.gz DNZIFAIJBYMVLI-CMPLNLGQSA-N 1 2 313.352 0.502 10 0 DCAELO C[C@@H]1CN(C(=O)NCc2cn3ccccc3[nH+]2)CC(=O)N1C ZINC000282174470 396268756 /nfs/dbraw/zinc/26/87/56/396268756.db2.gz LBBDBIZLQXASME-LLVKDONJSA-N 1 2 301.350 0.706 10 0 DCAELO CC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)c2nc(N)nc(N(C)C)n2)C1 ZINC000077169911 396213442 /nfs/dbraw/zinc/21/34/42/396213442.db2.gz AOUMGAFGJJUPHP-ONGXEEELSA-N 1 2 307.402 0.181 10 0 DCAELO CC(=O)N[C@H]1CCC[N@H+]([C@@H](C)c2nc(N)nc(N(C)C)n2)C1 ZINC000077169911 396213448 /nfs/dbraw/zinc/21/34/48/396213448.db2.gz AOUMGAFGJJUPHP-ONGXEEELSA-N 1 2 307.402 0.181 10 0 DCAELO Cc1nc(N2CCN(C(=O)NCC3(C)COC3)CC2)cc[nH+]1 ZINC000184998998 396313320 /nfs/dbraw/zinc/31/33/20/396313320.db2.gz SXEJPXGOKWCKEO-UHFFFAOYSA-N 1 2 305.382 0.653 10 0 DCAELO Cn1cc(-c2cc(C[N@@H+]3CCN4C(=O)NC[C@@H]4C3)on2)cn1 ZINC000185020364 396314381 /nfs/dbraw/zinc/31/43/81/396314381.db2.gz QZQRIXHZEOIPDB-LLVKDONJSA-N 1 2 302.338 0.285 10 0 DCAELO Cn1cc(-c2cc(C[N@H+]3CCN4C(=O)NC[C@@H]4C3)on2)cn1 ZINC000185020364 396314385 /nfs/dbraw/zinc/31/43/85/396314385.db2.gz QZQRIXHZEOIPDB-LLVKDONJSA-N 1 2 302.338 0.285 10 0 DCAELO CC(C)Oc1nccnc1N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000184132846 396286351 /nfs/dbraw/zinc/28/63/51/396286351.db2.gz QGIJQCSBKPJMRP-ZDUSSCGKSA-N 1 2 310.398 0.393 10 0 DCAELO CCNC(=O)CNC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184260147 396289041 /nfs/dbraw/zinc/28/90/41/396289041.db2.gz ICAVCFJEPWRVSE-UHFFFAOYSA-N 1 2 305.382 0.439 10 0 DCAELO CCN(C[C@H](O)C(F)(F)F)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000187019583 396361849 /nfs/dbraw/zinc/36/18/49/396361849.db2.gz BGUVMROFKUZDBJ-ZJUUUORDSA-N 1 2 313.320 0.272 10 0 DCAELO CCN(C[C@H](O)C(F)(F)F)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000187019583 396361851 /nfs/dbraw/zinc/36/18/51/396361851.db2.gz BGUVMROFKUZDBJ-ZJUUUORDSA-N 1 2 313.320 0.272 10 0 DCAELO C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@H+](C)C[C@@H]1CCCO1 ZINC000187811304 396374791 /nfs/dbraw/zinc/37/47/91/396374791.db2.gz CPNNKQCQJRJAAH-XQQFMLRXSA-N 1 2 318.439 0.131 10 0 DCAELO C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@@H+](C)C[C@@H]1CCCO1 ZINC000187811304 396374792 /nfs/dbraw/zinc/37/47/92/396374792.db2.gz CPNNKQCQJRJAAH-XQQFMLRXSA-N 1 2 318.439 0.131 10 0 DCAELO O=C(c1n[nH]c2c1C[NH2+]CC2)N1CC[C@@H](Oc2cccnc2)C1 ZINC000188953180 396389055 /nfs/dbraw/zinc/38/90/55/396389055.db2.gz QGOFHRSIZSYKFY-GFCCVEGCSA-N 1 2 313.361 0.744 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)NC[C@H](C)OC)nc[nH+]1 ZINC000190633434 396408718 /nfs/dbraw/zinc/40/87/18/396408718.db2.gz HONINXOORGJOKG-NWDGAFQWSA-N 1 2 322.413 0.821 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)NC[C@H](C)OC)[nH+]cn1 ZINC000190633434 396408719 /nfs/dbraw/zinc/40/87/19/396408719.db2.gz HONINXOORGJOKG-NWDGAFQWSA-N 1 2 322.413 0.821 10 0 DCAELO CCc1nnc(C2CC[NH+](CCCS(C)(=O)=O)CC2)[nH]1 ZINC000190647479 396409641 /nfs/dbraw/zinc/40/96/41/396409641.db2.gz MJIXNTUCKBREJR-UHFFFAOYSA-N 1 2 300.428 0.981 10 0 DCAELO CCc1n[nH]c(C2CC[NH+](CCCS(C)(=O)=O)CC2)n1 ZINC000190647479 396409643 /nfs/dbraw/zinc/40/96/43/396409643.db2.gz MJIXNTUCKBREJR-UHFFFAOYSA-N 1 2 300.428 0.981 10 0 DCAELO CCc1nc(C2CC[NH+](CCCS(C)(=O)=O)CC2)n[nH]1 ZINC000190647479 396409645 /nfs/dbraw/zinc/40/96/45/396409645.db2.gz MJIXNTUCKBREJR-UHFFFAOYSA-N 1 2 300.428 0.981 10 0 DCAELO COCCN1CCC[N@@H+]([C@H]2CCCN(C(C)C)C2=O)CC1=O ZINC000190775964 396410990 /nfs/dbraw/zinc/41/09/90/396410990.db2.gz IHIMOEJICUEETC-AWEZNQCLSA-N 1 2 311.426 0.567 10 0 DCAELO COCCN1CCC[N@H+]([C@H]2CCCN(C(C)C)C2=O)CC1=O ZINC000190775964 396410992 /nfs/dbraw/zinc/41/09/92/396410992.db2.gz IHIMOEJICUEETC-AWEZNQCLSA-N 1 2 311.426 0.567 10 0 DCAELO CCn1cc([C@@H]2C[N@H+](CCC(=O)N3CCOCC3)CCO2)cn1 ZINC000190813429 396411767 /nfs/dbraw/zinc/41/17/67/396411767.db2.gz MFDAMSHLNWMILH-HNNXBMFYSA-N 1 2 322.409 0.525 10 0 DCAELO CCn1cc([C@@H]2C[N@@H+](CCC(=O)N3CCOCC3)CCO2)cn1 ZINC000190813429 396411769 /nfs/dbraw/zinc/41/17/69/396411769.db2.gz MFDAMSHLNWMILH-HNNXBMFYSA-N 1 2 322.409 0.525 10 0 DCAELO CCOC1CC(CNC(=O)N[C@H]2C[C@@H]2C)([NH+]2CCOCC2)C1 ZINC000192476133 396431522 /nfs/dbraw/zinc/43/15/22/396431522.db2.gz UPMUAODAOGDJGZ-REWIBIJMSA-N 1 2 311.426 0.964 10 0 DCAELO Cc1nc(CN2CCC[N@@H+](Cc3nc(N(C)C)no3)CC2)no1 ZINC000192713517 396435752 /nfs/dbraw/zinc/43/57/52/396435752.db2.gz HANUMHSLBKBQGD-UHFFFAOYSA-N 1 2 321.385 0.535 10 0 DCAELO Cc1nc(CN2CCC[N@H+](Cc3nc(N(C)C)no3)CC2)no1 ZINC000192713517 396435753 /nfs/dbraw/zinc/43/57/53/396435753.db2.gz HANUMHSLBKBQGD-UHFFFAOYSA-N 1 2 321.385 0.535 10 0 DCAELO COC(=O)[C@]1(C)CN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC000374415293 396662549 /nfs/dbraw/zinc/66/25/49/396662549.db2.gz MAHIQBDKXMIAFI-LALPHHSUSA-N 1 2 313.398 0.158 10 0 DCAELO COC(=O)[C@]1(C)CN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC000374415293 396662551 /nfs/dbraw/zinc/66/25/51/396662551.db2.gz MAHIQBDKXMIAFI-LALPHHSUSA-N 1 2 313.398 0.158 10 0 DCAELO Cc1nnc([C@@H]2CCCCN2C[C@H](O)C[NH+]2CCOCC2)[nH]1 ZINC000328636536 396828810 /nfs/dbraw/zinc/82/88/10/396828810.db2.gz CLWJPDYOMJERCT-KGLIPLIRSA-N 1 2 309.414 0.333 10 0 DCAELO C[N@@H+]1CCO[C@H](CN(CC(N)=O)C(=O)CCc2ccccn2)C1 ZINC000328654685 396830551 /nfs/dbraw/zinc/83/05/51/396830551.db2.gz XQUGXITXBKVOLC-AWEZNQCLSA-N 1 2 320.393 0.709 10 0 DCAELO C[N@H+]1CCO[C@H](CN(CC(N)=O)C(=O)CCc2ccccn2)C1 ZINC000328654685 396830561 /nfs/dbraw/zinc/83/05/61/396830561.db2.gz XQUGXITXBKVOLC-AWEZNQCLSA-N 1 2 320.393 0.709 10 0 DCAELO COC(=O)C1(O)CCN(C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000611282958 396849886 /nfs/dbraw/zinc/84/98/86/396849886.db2.gz HSWTWCNPJAYTNC-UHFFFAOYSA-N 1 2 318.333 0.866 10 0 DCAELO Cc1nc([C@H]2CCCN2C(=O)NC[C@@H]2C[N@H+](C)CCO2)no1 ZINC000332805676 396894790 /nfs/dbraw/zinc/89/47/90/396894790.db2.gz JJXGVDAEUYFDGD-VXGBXAGGSA-N 1 2 309.370 0.555 10 0 DCAELO Cc1nc([C@H]2CCCN2C(=O)NC[C@@H]2C[N@@H+](C)CCO2)no1 ZINC000332805676 396894792 /nfs/dbraw/zinc/89/47/92/396894792.db2.gz JJXGVDAEUYFDGD-VXGBXAGGSA-N 1 2 309.370 0.555 10 0 DCAELO C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1C[C@H](C)O[C@H](C(N)=O)C1 ZINC000625736769 396990780 /nfs/dbraw/zinc/99/07/80/396990780.db2.gz IOHXFZHMJAFHJN-WHWAKUBCSA-N 1 2 311.426 0.644 10 0 DCAELO C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+]1C[C@H](C)O[C@H](C(N)=O)C1 ZINC000625736769 396990786 /nfs/dbraw/zinc/99/07/86/396990786.db2.gz IOHXFZHMJAFHJN-WHWAKUBCSA-N 1 2 311.426 0.644 10 0 DCAELO CC(=O)[C@](C)(O)C[N@H+](C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000626142287 397088600 /nfs/dbraw/zinc/08/86/00/397088600.db2.gz BMKPMDNHTVFARP-MRXNPFEDSA-N 1 2 322.361 0.668 10 0 DCAELO CC(=O)[C@](C)(O)C[N@@H+](C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000626142287 397088606 /nfs/dbraw/zinc/08/86/06/397088606.db2.gz BMKPMDNHTVFARP-MRXNPFEDSA-N 1 2 322.361 0.668 10 0 DCAELO Cc1conc1C(=O)N1CC[N@@H+](C[C@H]2CN(C)CCO2)C[C@H]1C ZINC000630939568 397140344 /nfs/dbraw/zinc/14/03/44/397140344.db2.gz GQDGBCBBPPMKTH-ZIAGYGMSSA-N 1 2 322.409 0.460 10 0 DCAELO Cc1conc1C(=O)N1CC[N@H+](C[C@H]2CN(C)CCO2)C[C@H]1C ZINC000630939568 397140348 /nfs/dbraw/zinc/14/03/48/397140348.db2.gz GQDGBCBBPPMKTH-ZIAGYGMSSA-N 1 2 322.409 0.460 10 0 DCAELO c1c(CNCCC[NH+]2CCOCC2)nnn1C[C@@H]1CCOC1 ZINC000631029759 397158174 /nfs/dbraw/zinc/15/81/74/397158174.db2.gz FASKNCLPIUXUFR-AWEZNQCLSA-N 1 2 309.414 0.127 10 0 DCAELO CC(C)N1C(=O)C[N@H+](CCS(=O)(=O)N(C)C)CC1(C)C ZINC000407951935 397334824 /nfs/dbraw/zinc/33/48/24/397334824.db2.gz XSYNNYPDLVWASM-UHFFFAOYSA-N 1 2 305.444 0.209 10 0 DCAELO CC(C)N1C(=O)C[N@@H+](CCS(=O)(=O)N(C)C)CC1(C)C ZINC000407951935 397334829 /nfs/dbraw/zinc/33/48/29/397334829.db2.gz XSYNNYPDLVWASM-UHFFFAOYSA-N 1 2 305.444 0.209 10 0 DCAELO CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000488572020 397495296 /nfs/dbraw/zinc/49/52/96/397495296.db2.gz HYSAQJNRTSCNDZ-WDEREUQCSA-N 1 2 322.365 0.390 10 0 DCAELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC(=O)NC(=O)NC1CC1 ZINC000603875245 397624508 /nfs/dbraw/zinc/62/45/08/397624508.db2.gz NUZPPAPWWRSXOV-UHTWSYAYSA-N 1 2 323.393 0.781 10 0 DCAELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC(=O)NC(=O)NC1CC1 ZINC000603875245 397624509 /nfs/dbraw/zinc/62/45/09/397624509.db2.gz NUZPPAPWWRSXOV-UHTWSYAYSA-N 1 2 323.393 0.781 10 0 DCAELO CN(C(=O)Nc1ccc2[nH+]ccn2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000606580691 397683863 /nfs/dbraw/zinc/68/38/63/397683863.db2.gz ANXHEGQLCMTPGP-LLVKDONJSA-N 1 2 308.363 0.985 10 0 DCAELO O=C([C@@H]1CCCn2ccnc21)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000176459453 304351265 /nfs/dbraw/zinc/35/12/65/304351265.db2.gz SLGQMWDZEFLNGB-ZIAGYGMSSA-N 1 2 304.394 0.694 10 0 DCAELO CC(C)[C@H](NC(N)=O)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000063723314 158030972 /nfs/dbraw/zinc/03/09/72/158030972.db2.gz IJCUXLKCDXZOGR-LBPRGKRZSA-N 1 2 316.365 0.576 10 0 DCAELO O=C(NCC[NH+]1CCOCC1)[C@H]1CCCN1c1nccs1 ZINC000075484921 158061911 /nfs/dbraw/zinc/06/19/11/158061911.db2.gz JRPOOMBMFALKFL-GFCCVEGCSA-N 1 2 310.423 0.560 10 0 DCAELO CS(=O)(=O)Nc1cc(NC(=O)[C@@H]2COCC[NH2+]2)ccc1F ZINC000088369914 158094755 /nfs/dbraw/zinc/09/47/55/158094755.db2.gz PIWJGDVEVBWEEA-NSHDSACASA-N 1 2 317.342 0.124 10 0 DCAELO O=C(CSCC(F)(F)F)NC[C@H](O)C[NH+]1CCOCC1 ZINC000090165928 158102016 /nfs/dbraw/zinc/10/20/16/158102016.db2.gz BRRJKUIWAPOAOE-VIFPVBQESA-N 1 2 316.345 0.091 10 0 DCAELO O=S(=O)(/C=C/c1ccccc1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000090699023 158104454 /nfs/dbraw/zinc/10/44/54/158104454.db2.gz DTPGSRPREMBMHC-KDHUCADRSA-N 1 2 307.419 0.577 10 0 DCAELO C[C@H](C(=O)NC1CCCC1)N1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000116277381 158164959 /nfs/dbraw/zinc/16/49/59/158164959.db2.gz XDWBBYBVXMCOJG-UKRRQHHQSA-N 1 2 322.453 0.282 10 0 DCAELO C[C@H](C[NH+]1CCN(c2cnn(C)c2)CC1)CS(C)(=O)=O ZINC000119545795 158188813 /nfs/dbraw/zinc/18/88/13/158188813.db2.gz LJXDVQPAFIXFDG-GFCCVEGCSA-N 1 2 300.428 0.223 10 0 DCAELO CCCCS[C@H](C)C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000119574694 158189501 /nfs/dbraw/zinc/18/95/01/158189501.db2.gz USOJIMXEGYULAD-OLZOCXBDSA-N 1 2 304.456 0.718 10 0 DCAELO CN1C[C@@H](C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1=O ZINC000122875147 158225126 /nfs/dbraw/zinc/22/51/26/158225126.db2.gz ZSDLGCDPYHBFPW-LBPRGKRZSA-N 1 2 302.378 0.645 10 0 DCAELO CN(C)c1ccc(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cn1 ZINC000127467287 158274870 /nfs/dbraw/zinc/27/48/70/158274870.db2.gz ZHMNYAGKPKVWCP-CQSZACIVSA-N 1 2 304.394 0.741 10 0 DCAELO CN(C)c1ccc(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cn1 ZINC000127467287 158274873 /nfs/dbraw/zinc/27/48/73/158274873.db2.gz ZHMNYAGKPKVWCP-CQSZACIVSA-N 1 2 304.394 0.741 10 0 DCAELO CNC(=O)CC(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000129886165 158292041 /nfs/dbraw/zinc/29/20/41/158292041.db2.gz PCUWPNKSVMUYFK-OAHLLOKOSA-N 1 2 319.405 0.621 10 0 DCAELO CC1(C)C[N@H+](CCNC(=O)N[C@@H]2CCc3ncnn3C2)CCO1 ZINC000171870193 158387359 /nfs/dbraw/zinc/38/73/59/158387359.db2.gz ZHKJGDBXXACNAU-GFCCVEGCSA-N 1 2 322.413 0.003 10 0 DCAELO CC1(C)C[N@@H+](CCNC(=O)N[C@@H]2CCc3ncnn3C2)CCO1 ZINC000171870193 158387360 /nfs/dbraw/zinc/38/73/60/158387360.db2.gz ZHKJGDBXXACNAU-GFCCVEGCSA-N 1 2 322.413 0.003 10 0 DCAELO O=S(=O)(C[C@H]1CCOC1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261874010 158749042 /nfs/dbraw/zinc/74/90/42/158749042.db2.gz SSENKXMPBBPFLK-JSGCOSHPSA-N 1 2 311.407 0.394 10 0 DCAELO COc1cc(C(=O)N2CC[NH2+][C@H](c3cccnc3)C2)nn1C ZINC000328658248 159017349 /nfs/dbraw/zinc/01/73/49/159017349.db2.gz QRPJSSVNODZJKO-ZDUSSCGKSA-N 1 2 301.350 0.610 10 0 DCAELO CN1C(=O)CC[C@@H]1C(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000328665252 159018511 /nfs/dbraw/zinc/01/85/11/159018511.db2.gz ZASGKTALPMEJMR-UONOGXRCSA-N 1 2 305.353 0.919 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(S(=O)(=O)CC[C@@H]3CCOC3)C[C@H]21 ZINC000328838850 159033241 /nfs/dbraw/zinc/03/32/41/159033241.db2.gz NPEHLJYNCSPWAQ-BFHYXJOUSA-N 1 2 318.439 0.148 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(S(=O)(=O)CC[C@@H]3CCOC3)C[C@H]21 ZINC000328838850 159033244 /nfs/dbraw/zinc/03/32/44/159033244.db2.gz NPEHLJYNCSPWAQ-BFHYXJOUSA-N 1 2 318.439 0.148 10 0 DCAELO CCC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000328845952 159034037 /nfs/dbraw/zinc/03/40/37/159034037.db2.gz AJRGZZYBMKODJU-QLFBSQMISA-N 1 2 323.437 0.709 10 0 DCAELO CCC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000328845952 159034039 /nfs/dbraw/zinc/03/40/39/159034039.db2.gz AJRGZZYBMKODJU-QLFBSQMISA-N 1 2 323.437 0.709 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccnc(C4CC4)n3)C[C@H]21 ZINC000328911006 159041165 /nfs/dbraw/zinc/04/11/65/159041165.db2.gz NVOLZMURZPFUKJ-ZIAGYGMSSA-N 1 2 302.378 0.899 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccnc(C4CC4)n3)C[C@H]21 ZINC000328911006 159041166 /nfs/dbraw/zinc/04/11/66/159041166.db2.gz NVOLZMURZPFUKJ-ZIAGYGMSSA-N 1 2 302.378 0.899 10 0 DCAELO CN1CC[C@H]([N@H+](C)CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)C1=O ZINC000329054363 159055778 /nfs/dbraw/zinc/05/57/78/159055778.db2.gz HUFPWCSCEUEJSK-MELADBBJSA-N 1 2 309.410 0.319 10 0 DCAELO CN1CC[C@H]([N@@H+](C)CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)C1=O ZINC000329054363 159055780 /nfs/dbraw/zinc/05/57/80/159055780.db2.gz HUFPWCSCEUEJSK-MELADBBJSA-N 1 2 309.410 0.319 10 0 DCAELO CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CCC[C@H]2Cn2cc[nH+]c2)O1 ZINC000329532870 159099870 /nfs/dbraw/zinc/09/98/70/159099870.db2.gz KCHBCVYOXNCIBV-MJBXVCDLSA-N 1 2 320.393 0.510 10 0 DCAELO C[C@H]1CN(C(=O)c2cnn3ccncc23)C[C@H]1[NH+]1CCOCC1 ZINC000330092105 159140847 /nfs/dbraw/zinc/14/08/47/159140847.db2.gz QMZRORHYWXINRG-SWLSCSKDSA-N 1 2 315.377 0.522 10 0 DCAELO CCc1nc(CN2CC[NH+]([C@H]3CCN(C4CC4)C3=O)CC2)no1 ZINC000330214222 159150654 /nfs/dbraw/zinc/15/06/54/159150654.db2.gz GATTWYJSEAYBON-ZDUSSCGKSA-N 1 2 319.409 0.513 10 0 DCAELO C[C@@H]1OCC[C@@]1(O)CNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000332884712 159216322 /nfs/dbraw/zinc/21/63/22/159216322.db2.gz OETJTJBJKMEJNX-DUVNUKRYSA-N 1 2 312.410 0.143 10 0 DCAELO C[C@@H]1OCC[C@@]1(O)CNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000332884712 159216325 /nfs/dbraw/zinc/21/63/25/159216325.db2.gz OETJTJBJKMEJNX-DUVNUKRYSA-N 1 2 312.410 0.143 10 0 DCAELO O=C(Nc1nc2c(s1)C(=O)CCC2)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000367201435 159320844 /nfs/dbraw/zinc/32/08/44/159320844.db2.gz PGLVECFUULASNB-NSHDSACASA-N 1 2 320.418 0.991 10 0 DCAELO O=C(Nc1nc2c(s1)C(=O)CCC2)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000367201435 159320846 /nfs/dbraw/zinc/32/08/46/159320846.db2.gz PGLVECFUULASNB-NSHDSACASA-N 1 2 320.418 0.991 10 0 DCAELO O=C(Nc1nc2c(s1)C(=O)CCC2)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000367201434 159321477 /nfs/dbraw/zinc/32/14/77/159321477.db2.gz PGLVECFUULASNB-LLVKDONJSA-N 1 2 320.418 0.991 10 0 DCAELO O=C(Nc1nc2c(s1)C(=O)CCC2)[C@H]1C[N@H+]2CCN1CCC2 ZINC000367201434 159321479 /nfs/dbraw/zinc/32/14/79/159321479.db2.gz PGLVECFUULASNB-LLVKDONJSA-N 1 2 320.418 0.991 10 0 DCAELO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000368415102 159392909 /nfs/dbraw/zinc/39/29/09/159392909.db2.gz YHVQOXWWEYAKRS-KGLIPLIRSA-N 1 2 309.410 0.178 10 0 DCAELO C[C@@H]1CCCN(C(=O)C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000407988485 160004588 /nfs/dbraw/zinc/00/45/88/160004588.db2.gz HCQNXNXLWOMXOM-CYBMUJFWSA-N 1 2 319.409 0.312 10 0 DCAELO C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+]1C[C@@H](F)C[C@H]1CO ZINC000408047178 160023056 /nfs/dbraw/zinc/02/30/56/160023056.db2.gz OKLJHYLMFMOFGN-MROQNXINSA-N 1 2 315.389 0.796 10 0 DCAELO C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+]1C[C@@H](F)C[C@H]1CO ZINC000408047178 160023058 /nfs/dbraw/zinc/02/30/58/160023058.db2.gz OKLJHYLMFMOFGN-MROQNXINSA-N 1 2 315.389 0.796 10 0 DCAELO CS(=O)(=O)N[C@@H]1CCN(c2nc(C3CC3)[nH+]c3c2CCC3)C1 ZINC000408049966 160023395 /nfs/dbraw/zinc/02/33/95/160023395.db2.gz HDZXZCLDVFFFMT-LLVKDONJSA-N 1 2 322.434 0.971 10 0 DCAELO C[C@H]1CN(S(=O)(=O)N(C)Cc2[nH+]ccn2C)[C@@H](C)CO1 ZINC000408056334 160025033 /nfs/dbraw/zinc/02/50/33/160025033.db2.gz GFGFSIIDNHLDIQ-QWRGUYRKSA-N 1 2 302.400 0.206 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)N2CCc3ccc(O)cc3C2)C1 ZINC000408082434 160031392 /nfs/dbraw/zinc/03/13/92/160031392.db2.gz PTTLMQXUQPKCOJ-OAHLLOKOSA-N 1 2 305.378 0.791 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)N2CCc3ccc(O)cc3C2)C1 ZINC000408082434 160031394 /nfs/dbraw/zinc/03/13/94/160031394.db2.gz PTTLMQXUQPKCOJ-OAHLLOKOSA-N 1 2 305.378 0.791 10 0 DCAELO Cc1ccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)o1 ZINC000408097340 160034844 /nfs/dbraw/zinc/03/48/44/160034844.db2.gz KUSVNNBXIIGLNM-ZDUSSCGKSA-N 1 2 314.407 0.931 10 0 DCAELO CN(C)C(=O)C1(C(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000408159336 160049936 /nfs/dbraw/zinc/04/99/36/160049936.db2.gz PIMAQXWYRIREQD-GFCCVEGCSA-N 1 2 319.409 0.104 10 0 DCAELO CCc1c(C(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)[nH]c(C)c1C(N)=O ZINC000408227826 160064153 /nfs/dbraw/zinc/06/41/53/160064153.db2.gz ZEJLAZCFFIIXEC-NWDGAFQWSA-N 1 2 320.393 0.139 10 0 DCAELO CCc1c(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)[nH]c(C)c1C(N)=O ZINC000408227826 160064154 /nfs/dbraw/zinc/06/41/54/160064154.db2.gz ZEJLAZCFFIIXEC-NWDGAFQWSA-N 1 2 320.393 0.139 10 0 DCAELO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@H]2[C@H](C)C2(F)F)CC1 ZINC000408230106 160064927 /nfs/dbraw/zinc/06/49/27/160064927.db2.gz BXTXFMYHSAOWLS-HOSYDEDBSA-N 1 2 315.364 0.699 10 0 DCAELO CNC(=O)N[C@H]1CC[N@@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000408256101 160070439 /nfs/dbraw/zinc/07/04/39/160070439.db2.gz KGRSMRLQOZEQNE-IUCAKERBSA-N 1 2 308.304 0.153 10 0 DCAELO CNC(=O)N[C@H]1CC[N@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000408256101 160070440 /nfs/dbraw/zinc/07/04/40/160070440.db2.gz KGRSMRLQOZEQNE-IUCAKERBSA-N 1 2 308.304 0.153 10 0 DCAELO CC(=O)N1CC[C@H](NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000408302993 160080095 /nfs/dbraw/zinc/08/00/95/160080095.db2.gz LHLROQQNIBBHMN-OLZOCXBDSA-N 1 2 305.382 0.920 10 0 DCAELO CSc1c(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)cnn1C ZINC000408330752 160086026 /nfs/dbraw/zinc/08/60/26/160086026.db2.gz TWDKPGWFSCTABD-AAEUAGOBSA-N 1 2 324.450 0.935 10 0 DCAELO C[C@@H]1CCCCN1S(=O)(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000408367792 160093374 /nfs/dbraw/zinc/09/33/74/160093374.db2.gz XUZPLENUASOOAL-OLZOCXBDSA-N 1 2 305.444 0.104 10 0 DCAELO C[C@@H]1CCCCN1S(=O)(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000408367792 160093375 /nfs/dbraw/zinc/09/33/75/160093375.db2.gz XUZPLENUASOOAL-OLZOCXBDSA-N 1 2 305.444 0.104 10 0 DCAELO O=S1(=O)CC[C@H](C[N@H+]2CCC[C@@](O)(C(F)(F)F)C2)C1 ZINC000408400099 160100595 /nfs/dbraw/zinc/10/05/95/160100595.db2.gz OMZWAHPIDFBQCA-ZJUUUORDSA-N 1 2 301.330 0.810 10 0 DCAELO O=S1(=O)CC[C@H](C[N@@H+]2CCC[C@@](O)(C(F)(F)F)C2)C1 ZINC000408400099 160100597 /nfs/dbraw/zinc/10/05/97/160100597.db2.gz OMZWAHPIDFBQCA-ZJUUUORDSA-N 1 2 301.330 0.810 10 0 DCAELO Cn1c2c(cccc2F)[nH+]c1N1CCN(S(C)(=O)=O)CC1 ZINC000408433473 160106633 /nfs/dbraw/zinc/10/66/33/160106633.db2.gz MCKBBAYCDXMKRZ-UHFFFAOYSA-N 1 2 312.370 0.794 10 0 DCAELO COCC[N@@H+]1CCN(S(=O)(=O)[C@@H]2CCO[C@@H]2C)C[C@@H]1C ZINC000135697262 287024080 /nfs/dbraw/zinc/02/40/80/287024080.db2.gz SYLHGBFFLXYCFM-YNEHKIRRSA-N 1 2 306.428 0.146 10 0 DCAELO COCC[N@H+]1CCN(S(=O)(=O)[C@@H]2CCO[C@@H]2C)C[C@@H]1C ZINC000135697262 287024081 /nfs/dbraw/zinc/02/40/81/287024081.db2.gz SYLHGBFFLXYCFM-YNEHKIRRSA-N 1 2 306.428 0.146 10 0 DCAELO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H](C)Oc1cccc(CO)c1 ZINC000136033457 287025289 /nfs/dbraw/zinc/02/52/89/287025289.db2.gz FOSDADIHRUXDOE-ZIAGYGMSSA-N 1 2 322.405 0.783 10 0 DCAELO CCCC[C@H](NC(=O)NCC)C(=O)N1CC[NH+](CCO)CC1 ZINC000137560339 287028518 /nfs/dbraw/zinc/02/85/18/287028518.db2.gz XUOCVYJXNCBMOD-ZDUSSCGKSA-N 1 2 314.430 0.001 10 0 DCAELO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cn(C)nc1[C@@H]1CCOC1 ZINC000275505202 298643897 /nfs/dbraw/zinc/64/38/97/298643897.db2.gz KQUZTJCPVXOSQF-CHWSQXEVSA-N 1 2 322.409 0.375 10 0 DCAELO Cc1noc(C)c1S(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000246094608 287076623 /nfs/dbraw/zinc/07/66/23/287076623.db2.gz KRUGCAFLNGHIEP-VHSXEESVSA-N 1 2 317.411 0.367 10 0 DCAELO Cc1noc(C)c1S(=O)(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000246094608 287076626 /nfs/dbraw/zinc/07/66/26/287076626.db2.gz KRUGCAFLNGHIEP-VHSXEESVSA-N 1 2 317.411 0.367 10 0 DCAELO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000246993570 287089985 /nfs/dbraw/zinc/08/99/85/287089985.db2.gz GHBORPCVBITATO-FRRDWIJNSA-N 1 2 317.455 0.399 10 0 DCAELO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000246993570 287089987 /nfs/dbraw/zinc/08/99/87/287089987.db2.gz GHBORPCVBITATO-FRRDWIJNSA-N 1 2 317.455 0.399 10 0 DCAELO COCC[N@@H+]1CCN(S(=O)(=O)C[C@H]2CCCO2)C[C@@H]1C ZINC000247082981 287091030 /nfs/dbraw/zinc/09/10/30/287091030.db2.gz LNPXPNIKWNVLDP-QWHCGFSZSA-N 1 2 306.428 0.148 10 0 DCAELO COCC[N@H+]1CCN(S(=O)(=O)C[C@H]2CCCO2)C[C@@H]1C ZINC000247082981 287091032 /nfs/dbraw/zinc/09/10/32/287091032.db2.gz LNPXPNIKWNVLDP-QWHCGFSZSA-N 1 2 306.428 0.148 10 0 DCAELO C[C@H](C(=O)N1CCCCC1)[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247209087 287092147 /nfs/dbraw/zinc/09/21/47/287092147.db2.gz ULOFMAMYBARZJD-VXGBXAGGSA-N 1 2 303.428 0.011 10 0 DCAELO C[C@H](C(=O)N1CCCCC1)[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247209087 287092148 /nfs/dbraw/zinc/09/21/48/287092148.db2.gz ULOFMAMYBARZJD-VXGBXAGGSA-N 1 2 303.428 0.011 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(C(=O)c2cccc3n[nH]nc32)C[C@@H]1C ZINC000248416908 287096838 /nfs/dbraw/zinc/09/68/38/287096838.db2.gz QITQNSYTGWFPHH-QWRGUYRKSA-N 1 2 303.366 0.485 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cccc3nn[nH]c32)C[C@@H]1C ZINC000248416908 287096839 /nfs/dbraw/zinc/09/68/39/287096839.db2.gz QITQNSYTGWFPHH-QWRGUYRKSA-N 1 2 303.366 0.485 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(C(=O)c2cccc3nn[nH]c32)C[C@@H]1C ZINC000248416908 287096840 /nfs/dbraw/zinc/09/68/40/287096840.db2.gz QITQNSYTGWFPHH-QWRGUYRKSA-N 1 2 303.366 0.485 10 0 DCAELO CC(C)C(=O)NCCNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000048004566 415284603 /nfs/dbraw/zinc/28/46/03/415284603.db2.gz OFNNTUMCZFFUNB-UHFFFAOYSA-N 1 2 307.398 0.719 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCCc3cn[nH]c32)C[C@H]1C ZINC000273541354 415322099 /nfs/dbraw/zinc/32/20/99/415322099.db2.gz TWDQDXFBBGZEHG-MBNYWOFBSA-N 1 2 321.425 0.884 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CCCc3cn[nH]c32)C[C@H]1C ZINC000273541354 415322105 /nfs/dbraw/zinc/32/21/05/415322105.db2.gz TWDQDXFBBGZEHG-MBNYWOFBSA-N 1 2 321.425 0.884 10 0 DCAELO C[C@H](NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1)C1CCOCC1 ZINC000332754755 415465052 /nfs/dbraw/zinc/46/50/52/415465052.db2.gz JVXZZPFXINXKMK-NWANDNLSSA-N 1 2 311.426 0.916 10 0 DCAELO C[C@H](NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1)C1CCOCC1 ZINC000332754755 415465057 /nfs/dbraw/zinc/46/50/57/415465057.db2.gz JVXZZPFXINXKMK-NWANDNLSSA-N 1 2 311.426 0.916 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)CNC(=O)C3CCCCC3)C[C@@H]21 ZINC000332757920 415465922 /nfs/dbraw/zinc/46/59/22/415465922.db2.gz RERDOIPEZYWKKR-GJZGRUSLSA-N 1 2 323.437 0.614 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)CNC(=O)C3CCCCC3)C[C@@H]21 ZINC000332757920 415465930 /nfs/dbraw/zinc/46/59/30/415465930.db2.gz RERDOIPEZYWKKR-GJZGRUSLSA-N 1 2 323.437 0.614 10 0 DCAELO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)[C@@H]2[C@@H]3CCCO[C@H]23)CCO1 ZINC000333027386 415535441 /nfs/dbraw/zinc/53/54/41/415535441.db2.gz LDOYMNBXFXMQIR-WVWOOGAGSA-N 1 2 311.382 0.106 10 0 DCAELO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)[C@@H]2[C@@H]3CCCO[C@H]23)CCO1 ZINC000333027386 415535449 /nfs/dbraw/zinc/53/54/49/415535449.db2.gz LDOYMNBXFXMQIR-WVWOOGAGSA-N 1 2 311.382 0.106 10 0 DCAELO CN(CCS(C)(=O)=O)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106916961 415655582 /nfs/dbraw/zinc/65/55/82/415655582.db2.gz GOTXUULSKKLJGE-AWEZNQCLSA-N 1 2 312.435 0.662 10 0 DCAELO Cc1ccc(C[NH+]2CCN(CC(=O)N3CCOCC3)CC2)o1 ZINC000112120113 415706452 /nfs/dbraw/zinc/70/64/52/415706452.db2.gz SYYNTCZGEOWJJL-UHFFFAOYSA-N 1 2 307.394 0.564 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)CCc2nc(-c3ccoc3)no2)C1 ZINC000120217890 415760160 /nfs/dbraw/zinc/76/01/60/415760160.db2.gz MIQZCCOSYOHZJH-GFCCVEGCSA-N 1 2 320.349 0.709 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)CCc2nc(-c3ccoc3)no2)C1 ZINC000120217890 415760168 /nfs/dbraw/zinc/76/01/68/415760168.db2.gz MIQZCCOSYOHZJH-GFCCVEGCSA-N 1 2 320.349 0.709 10 0 DCAELO CCn1cc(C[NH+]2CCN(c3ccc4nncn4n3)CC2)cn1 ZINC000120472675 415771443 /nfs/dbraw/zinc/77/14/43/415771443.db2.gz XXEQFMCRIBVPGU-UHFFFAOYSA-N 1 2 312.381 0.663 10 0 DCAELO CO[C@H]1C[C@@H](C(=O)Nc2ccn(Cc3ccncc3)n2)[N@H+](C)C1 ZINC000344617823 415960825 /nfs/dbraw/zinc/96/08/25/415960825.db2.gz FSNASWGBHYKWJR-KBPBESRZSA-N 1 2 315.377 0.984 10 0 DCAELO CO[C@H]1C[C@@H](C(=O)Nc2ccn(Cc3ccncc3)n2)[N@@H+](C)C1 ZINC000344617823 415960829 /nfs/dbraw/zinc/96/08/29/415960829.db2.gz FSNASWGBHYKWJR-KBPBESRZSA-N 1 2 315.377 0.984 10 0 DCAELO O=C1NC[C@H]2C[N@H+](Cc3ccc4ccccc4n3)CCN2C1=O ZINC000137937769 415963032 /nfs/dbraw/zinc/96/30/32/415963032.db2.gz HNHJYIJPWLNUJX-AWEZNQCLSA-N 1 2 310.357 0.377 10 0 DCAELO O=C1NC[C@H]2C[N@@H+](Cc3ccc4ccccc4n3)CCN2C1=O ZINC000137937769 415963034 /nfs/dbraw/zinc/96/30/34/415963034.db2.gz HNHJYIJPWLNUJX-AWEZNQCLSA-N 1 2 310.357 0.377 10 0 DCAELO Cc1cc(F)cc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000153353938 415978993 /nfs/dbraw/zinc/97/89/93/415978993.db2.gz AREGVAWBELEBBE-CYBMUJFWSA-N 1 2 309.341 0.519 10 0 DCAELO Cc1cc(F)cc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000153353938 415978994 /nfs/dbraw/zinc/97/89/94/415978994.db2.gz AREGVAWBELEBBE-CYBMUJFWSA-N 1 2 309.341 0.519 10 0 DCAELO CCCCn1nccc1NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000153255820 415979751 /nfs/dbraw/zinc/97/97/51/415979751.db2.gz AZMILABBBQJNFK-LBPRGKRZSA-N 1 2 323.397 0.069 10 0 DCAELO CCCCn1nccc1NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000153255820 415979754 /nfs/dbraw/zinc/97/97/54/415979754.db2.gz AZMILABBBQJNFK-LBPRGKRZSA-N 1 2 323.397 0.069 10 0 DCAELO COC(=O)Cn1ncc2c1nc[nH+]c2NC[C@@H](O)C1CCCC1 ZINC000301302354 416079442 /nfs/dbraw/zinc/07/94/42/416079442.db2.gz VXLBCLMCQLWSCO-GFCCVEGCSA-N 1 2 319.365 0.962 10 0 DCAELO CCOCC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(C)on2)C[C@@H]1C ZINC000172218143 416044414 /nfs/dbraw/zinc/04/44/14/416044414.db2.gz OLFHNJPMIMZVQL-NSHDSACASA-N 1 2 324.381 0.491 10 0 DCAELO CCOCC[N@H+]1CCN(C(=O)C(=O)Nc2cc(C)on2)C[C@@H]1C ZINC000172218143 416044416 /nfs/dbraw/zinc/04/44/16/416044416.db2.gz OLFHNJPMIMZVQL-NSHDSACASA-N 1 2 324.381 0.491 10 0 DCAELO COc1ncccc1CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173773511 416065858 /nfs/dbraw/zinc/06/58/58/416065858.db2.gz DHWCDYKEZUVFRZ-AWEZNQCLSA-N 1 2 320.393 0.706 10 0 DCAELO C[C@@H](CNC(=O)NCCCC(C)(C)CO)[NH+]1CCOCC1 ZINC000173826048 416066043 /nfs/dbraw/zinc/06/60/43/416066043.db2.gz VIOFOMVLPZWJRL-ZDUSSCGKSA-N 1 2 301.431 0.805 10 0 DCAELO C[C@H]1CN(C(=O)c2cccc(C(N)=O)c2)C[C@H]1[NH+]1CCOCC1 ZINC000173971100 416070065 /nfs/dbraw/zinc/07/00/65/416070065.db2.gz NNDGEMGOYKPQBU-SWLSCSKDSA-N 1 2 317.389 0.578 10 0 DCAELO CC(=O)Nc1ccc(O)c(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000356939974 416009401 /nfs/dbraw/zinc/00/94/01/416009401.db2.gz SQMGMJFAGPGVRY-DZGCQCFKSA-N 1 2 319.361 0.506 10 0 DCAELO CC(=O)Nc1ccc(O)c(C(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000356939974 416009403 /nfs/dbraw/zinc/00/94/03/416009403.db2.gz SQMGMJFAGPGVRY-DZGCQCFKSA-N 1 2 319.361 0.506 10 0 DCAELO O[C@H](CNc1ccc2nnc(C3CC3)n2n1)C[NH+]1CCOCC1 ZINC000301744725 416089681 /nfs/dbraw/zinc/08/96/81/416089681.db2.gz WQPHBIVSKZOKTN-GFCCVEGCSA-N 1 2 318.381 0.107 10 0 DCAELO O=S(=O)(CCCF)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000175596471 416110217 /nfs/dbraw/zinc/11/02/17/416110217.db2.gz NRXNWXHXRPNAFB-CYBMUJFWSA-N 1 2 308.419 0.863 10 0 DCAELO Cc1conc1NC(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000328655044 416125225 /nfs/dbraw/zinc/12/52/25/416125225.db2.gz XZZDRHXLCDEVGL-ZDUSSCGKSA-N 1 2 308.382 1.558 10 0 DCAELO Cc1conc1NC(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000328655044 416125228 /nfs/dbraw/zinc/12/52/28/416125228.db2.gz XZZDRHXLCDEVGL-ZDUSSCGKSA-N 1 2 308.382 1.558 10 0 DCAELO C[NH+]1CCN(C(=O)CC2CCN(C(=O)c3cnc[nH]3)CC2)CC1 ZINC000329221654 416156618 /nfs/dbraw/zinc/15/66/18/416156618.db2.gz VCQDCYAUMUIIQV-UHFFFAOYSA-N 1 2 319.409 0.426 10 0 DCAELO O=C(NC[C@H]1C[NH+]2CCN1CC2)C(=O)Nc1cccc(Cl)c1 ZINC000178963691 416178899 /nfs/dbraw/zinc/17/88/99/416178899.db2.gz BXAWPURDZBAZGJ-ZDUSSCGKSA-N 1 2 322.796 0.395 10 0 DCAELO Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[NH+]3CCN2CC3)c(C)c1 ZINC000178956941 416179810 /nfs/dbraw/zinc/17/98/10/416179810.db2.gz ZAGKSUHWZUAFNR-CQSZACIVSA-N 1 2 316.405 0.358 10 0 DCAELO CC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000329777578 416190214 /nfs/dbraw/zinc/19/02/14/416190214.db2.gz PEZURDKSPURKAC-FVQBIDKESA-N 1 2 323.437 0.709 10 0 DCAELO CN(CCCn1cc[nH+]c1)S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000178442448 416162226 /nfs/dbraw/zinc/16/22/26/416162226.db2.gz ZBEZUITVTCNBOU-UHFFFAOYSA-N 1 2 322.390 0.693 10 0 DCAELO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCSCC1)C(=O)N1CCCCC1 ZINC000341933862 416254860 /nfs/dbraw/zinc/25/48/60/416254860.db2.gz VYQLGCUYXPRBQH-CHWSQXEVSA-N 1 2 313.467 0.941 10 0 DCAELO C[C@H]1CN(C(=O)c2ccc([S@](C)=O)cc2)CC[N@@H+]1CCO ZINC000188701800 416264559 /nfs/dbraw/zinc/26/45/59/416264559.db2.gz HFXPHLNNGXYFMQ-QKVFXAPYSA-N 1 2 310.419 0.563 10 0 DCAELO C[C@H]1CN(C(=O)c2ccc([S@](C)=O)cc2)CC[N@H+]1CCO ZINC000188701800 416264563 /nfs/dbraw/zinc/26/45/63/416264563.db2.gz HFXPHLNNGXYFMQ-QKVFXAPYSA-N 1 2 310.419 0.563 10 0 DCAELO Cc1cccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1C ZINC000190040015 416274529 /nfs/dbraw/zinc/27/45/29/416274529.db2.gz YYBDKOYGWUJQOE-ZDUSSCGKSA-N 1 2 319.405 0.767 10 0 DCAELO Cc1cccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1C ZINC000190040015 416274531 /nfs/dbraw/zinc/27/45/31/416274531.db2.gz YYBDKOYGWUJQOE-ZDUSSCGKSA-N 1 2 319.405 0.767 10 0 DCAELO Cc1cc(C)nc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1 ZINC000193913967 416321020 /nfs/dbraw/zinc/32/10/20/416321020.db2.gz HLSQSXPVPAZAHK-ZDUSSCGKSA-N 1 2 320.393 0.162 10 0 DCAELO Cc1cc(C)nc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1 ZINC000193913967 416321023 /nfs/dbraw/zinc/32/10/23/416321023.db2.gz HLSQSXPVPAZAHK-ZDUSSCGKSA-N 1 2 320.393 0.162 10 0 DCAELO CC[C@H]1CN(S(=O)(=O)C[C@@H](C)OC)CC[N@@H+]1CCOC ZINC000195265003 416325867 /nfs/dbraw/zinc/32/58/67/416325867.db2.gz NJCFNGORDKHLJN-OLZOCXBDSA-N 1 2 308.444 0.394 10 0 DCAELO CC[C@H]1CN(S(=O)(=O)C[C@@H](C)OC)CC[N@H+]1CCOC ZINC000195265003 416325868 /nfs/dbraw/zinc/32/58/68/416325868.db2.gz NJCFNGORDKHLJN-OLZOCXBDSA-N 1 2 308.444 0.394 10 0 DCAELO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1CO)Nc1ccc2c(c1)OCCCO2 ZINC000360490047 416392774 /nfs/dbraw/zinc/39/27/74/416392774.db2.gz ILXQPYNNAMVQHY-OLZOCXBDSA-N 1 2 322.361 0.214 10 0 DCAELO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1CO)Nc1ccc2c(c1)OCCCO2 ZINC000360490047 416392776 /nfs/dbraw/zinc/39/27/76/416392776.db2.gz ILXQPYNNAMVQHY-OLZOCXBDSA-N 1 2 322.361 0.214 10 0 DCAELO Cn1nccc1[C@H]1CCCC[N@@H+]1CC(=O)NC(=O)NC1CC1 ZINC000532888298 416461969 /nfs/dbraw/zinc/46/19/69/416461969.db2.gz QIWLLPPKBNKCFS-CYBMUJFWSA-N 1 2 305.382 0.935 10 0 DCAELO Cn1nccc1[C@H]1CCCC[N@H+]1CC(=O)NC(=O)NC1CC1 ZINC000532888298 416461974 /nfs/dbraw/zinc/46/19/74/416461974.db2.gz QIWLLPPKBNKCFS-CYBMUJFWSA-N 1 2 305.382 0.935 10 0 DCAELO COC(=O)c1ccc(C[NH+]2CCN(Cc3nnc(C)[nH]3)CC2)o1 ZINC000610487675 416657912 /nfs/dbraw/zinc/65/79/12/416657912.db2.gz QKOXVQZIMLHKKF-UHFFFAOYSA-N 1 2 319.365 0.811 10 0 DCAELO C[C@H]1CN(C(=O)NCc2cn3c([nH+]2)CCCC3)C[C@H](C(N)=O)O1 ZINC000623554192 416843558 /nfs/dbraw/zinc/84/35/58/416843558.db2.gz VBEMOULEPDKAIW-CMPLNLGQSA-N 1 2 321.381 0.004 10 0 DCAELO Cn1nccc1NC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000446748089 416945042 /nfs/dbraw/zinc/94/50/42/416945042.db2.gz KYAKKUCOGMUQLE-UHFFFAOYSA-N 1 2 302.338 0.488 10 0 DCAELO OC[C@@H]1C[C@H](O)CN1c1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000624070108 416948661 /nfs/dbraw/zinc/94/86/61/416948661.db2.gz BSBWYXNLHXOZJT-GJZGRUSLSA-N 1 2 312.373 0.929 10 0 DCAELO CC[N@H+](CC(=O)Nc1ccc2c(c1)OCO2)[C@@H]1CCNC1=O ZINC000565813066 417019518 /nfs/dbraw/zinc/01/95/18/417019518.db2.gz HOJGPUAVMNRXDE-LLVKDONJSA-N 1 2 305.334 0.564 10 0 DCAELO CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCO2)[C@@H]1CCNC1=O ZINC000565813066 417019527 /nfs/dbraw/zinc/01/95/27/417019527.db2.gz HOJGPUAVMNRXDE-LLVKDONJSA-N 1 2 305.334 0.564 10 0 DCAELO CC(C)(C)OC(=O)NCC[N@@H+]1CCOC[C@H](c2nn[nH]n2)C1 ZINC000616664627 417089530 /nfs/dbraw/zinc/08/95/30/417089530.db2.gz ZYISLAILIMYSRZ-SNVBAGLBSA-N 1 2 312.374 0.140 10 0 DCAELO CC(C)(C)OC(=O)NCC[N@H+]1CCOC[C@H](c2nn[nH]n2)C1 ZINC000616664627 417089539 /nfs/dbraw/zinc/08/95/39/417089539.db2.gz ZYISLAILIMYSRZ-SNVBAGLBSA-N 1 2 312.374 0.140 10 0 DCAELO Nc1cc([C@@H]2CNc3ccccc3N2S(N)(=O)=O)cc[nH+]1 ZINC000616682148 417094529 /nfs/dbraw/zinc/09/45/29/417094529.db2.gz CMLSUAMWFFWHKP-LBPRGKRZSA-N 1 2 305.363 0.841 10 0 DCAELO Nc1cc([C@H]2CNc3ccccc3N2S(N)(=O)=O)cc[nH+]1 ZINC000616682029 417094769 /nfs/dbraw/zinc/09/47/69/417094769.db2.gz CMLSUAMWFFWHKP-GFCCVEGCSA-N 1 2 305.363 0.841 10 0 DCAELO C[C@H](C(=O)N1CCC[C@H](c2ccnc(N)n2)C1)[NH+]1CCOCC1 ZINC000408081030 417141214 /nfs/dbraw/zinc/14/12/14/417141214.db2.gz QMTARYCJAQCLIB-OLZOCXBDSA-N 1 2 319.409 0.486 10 0 DCAELO CCOC(=O)[C@H]1C[N@@H+]([C@H](C)c2nnnn2C2CC2)CC12COC2 ZINC000451139241 417305626 /nfs/dbraw/zinc/30/56/26/417305626.db2.gz RWUYARDFJKVFFR-ZYHUDNBSSA-N 1 2 321.381 0.581 10 0 DCAELO CCOC(=O)[C@H]1C[N@H+]([C@H](C)c2nnnn2C2CC2)CC12COC2 ZINC000451139241 417305629 /nfs/dbraw/zinc/30/56/29/417305629.db2.gz RWUYARDFJKVFFR-ZYHUDNBSSA-N 1 2 321.381 0.581 10 0 DCAELO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)C[C@@H](C)O1 ZINC000528792921 417394591 /nfs/dbraw/zinc/39/45/91/417394591.db2.gz WDZBXDQVLXNBHO-YRGRVCCFSA-N 1 2 320.393 0.955 10 0 DCAELO C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)C[C@@H](C)O1 ZINC000528792921 417394599 /nfs/dbraw/zinc/39/45/99/417394599.db2.gz WDZBXDQVLXNBHO-YRGRVCCFSA-N 1 2 320.393 0.955 10 0 DCAELO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)C[C@H](C)O1 ZINC000528792912 417395112 /nfs/dbraw/zinc/39/51/12/417395112.db2.gz WDZBXDQVLXNBHO-MBNYWOFBSA-N 1 2 320.393 0.955 10 0 DCAELO C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)C[C@H](C)O1 ZINC000528792912 417395117 /nfs/dbraw/zinc/39/51/17/417395117.db2.gz WDZBXDQVLXNBHO-MBNYWOFBSA-N 1 2 320.393 0.955 10 0 DCAELO CC(=O)N1CCC[C@H]1C(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000633602983 417461400 /nfs/dbraw/zinc/46/14/00/417461400.db2.gz RQZZYMATSPAMMS-STQMWFEESA-N 1 2 322.409 0.607 10 0 DCAELO CC(=O)CCCC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000628579574 417658196 /nfs/dbraw/zinc/65/81/96/417658196.db2.gz YNDGAJPOVBVFGZ-INIZCTEOSA-N 1 2 312.410 0.478 10 0 DCAELO CC(=O)CCCC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000628579574 417658199 /nfs/dbraw/zinc/65/81/99/417658199.db2.gz YNDGAJPOVBVFGZ-INIZCTEOSA-N 1 2 312.410 0.478 10 0 DCAELO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(Br)c[nH]1 ZINC000628923941 417728340 /nfs/dbraw/zinc/72/83/40/417728340.db2.gz AFIIJFPVSHAUIV-VIFPVBQESA-N 1 2 302.172 0.838 10 0 DCAELO C[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(Br)c[nH]1 ZINC000628923941 417728344 /nfs/dbraw/zinc/72/83/44/417728344.db2.gz AFIIJFPVSHAUIV-VIFPVBQESA-N 1 2 302.172 0.838 10 0 DCAELO COCc1nc(C[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)cs1 ZINC000651920558 417818093 /nfs/dbraw/zinc/81/80/93/417818093.db2.gz WDWJFUWANRHCFG-SECBINFHSA-N 1 2 305.425 0.413 10 0 DCAELO CCOc1cc(N[C@H]2CS(=O)(=O)C[C@H]2OC)nc(C)[nH+]1 ZINC000664273027 418109421 /nfs/dbraw/zinc/10/94/21/418109421.db2.gz PRTQEXSZMFQDIU-VHSXEESVSA-N 1 2 301.368 0.408 10 0 DCAELO CCC1(CC)CN(CC(=O)N2CC[NH+](C)CC2)CC[S@@]1=O ZINC000185230634 261119800 /nfs/dbraw/zinc/11/98/00/261119800.db2.gz TZXQRSAMIQSNRR-NRFANRHFSA-N 1 2 315.483 0.384 10 0 DCAELO C[C@H](C[NH+]1CCOCC1)NC(=O)NCCCN1CCCC1=O ZINC000192889992 261139922 /nfs/dbraw/zinc/13/99/22/261139922.db2.gz MQVZARZWSIVZHA-CYBMUJFWSA-N 1 2 312.414 0.019 10 0 DCAELO CC(=O)c1cccc(OC[C@H](O)C[N@@H+]2CCO[C@@H]([C@@H](C)O)C2)c1 ZINC000412070146 262180707 /nfs/dbraw/zinc/18/07/07/262180707.db2.gz JPJZBCRURZNABV-FRFSOERESA-N 1 2 323.389 0.711 10 0 DCAELO CC(=O)c1cccc(OC[C@H](O)C[N@H+]2CCO[C@@H]([C@@H](C)O)C2)c1 ZINC000412070146 262180708 /nfs/dbraw/zinc/18/07/08/262180708.db2.gz JPJZBCRURZNABV-FRFSOERESA-N 1 2 323.389 0.711 10 0 DCAELO COc1c(C)cnc(C[NH+]2CCC(S(N)(=O)=O)CC2)c1C ZINC000363451984 271191821 /nfs/dbraw/zinc/19/18/21/271191821.db2.gz ZIKKACQOPPCIOL-UHFFFAOYSA-N 1 2 313.423 0.960 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cn4ccccc4n3)C[C@H]21 ZINC000284157431 277129090 /nfs/dbraw/zinc/12/90/90/277129090.db2.gz QSOAKLQPAWLYCO-KGLIPLIRSA-N 1 2 300.362 0.879 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)c3cn4ccccc4n3)C[C@H]21 ZINC000284157431 277129091 /nfs/dbraw/zinc/12/90/91/277129091.db2.gz QSOAKLQPAWLYCO-KGLIPLIRSA-N 1 2 300.362 0.879 10 0 DCAELO CCO[C@H]1C[C@](NC(=O)Cc2c[nH+]cn2C)(C(=O)OC)C1(C)C ZINC000547728973 288073307 /nfs/dbraw/zinc/07/33/07/288073307.db2.gz MICVPVXPTLALSS-LRDDRELGSA-N 1 2 323.393 0.826 10 0 DCAELO CN(C)C(=O)C1(C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000548735687 288172047 /nfs/dbraw/zinc/17/20/47/288172047.db2.gz KFIGOEOPIGKVAS-UHFFFAOYSA-N 1 2 302.378 0.599 10 0 DCAELO O=C(c1cn2cccnc2n1)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000548885624 288184617 /nfs/dbraw/zinc/18/46/17/288184617.db2.gz KPZNJHPXHVFFCN-CYBMUJFWSA-N 1 2 308.345 0.911 10 0 DCAELO O=C(c1cnc2[nH]c(=O)[nH]c2c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000377625878 280228522 /nfs/dbraw/zinc/22/85/22/280228522.db2.gz JRUWDIXATJBYQT-NSHDSACASA-N 1 2 317.349 0.210 10 0 DCAELO c1ccc(-n2nnnc2CC[N@@H+]2C[C@@H]3COC[C@H](C2)O3)cc1 ZINC000554856343 288339818 /nfs/dbraw/zinc/33/98/18/288339818.db2.gz VQLDKLZLRLQULQ-OKILXGFUSA-N 1 2 301.350 0.304 10 0 DCAELO c1ccc(-n2nnnc2CC[N@H+]2C[C@@H]3COC[C@H](C2)O3)cc1 ZINC000554856343 288339819 /nfs/dbraw/zinc/33/98/19/288339819.db2.gz VQLDKLZLRLQULQ-OKILXGFUSA-N 1 2 301.350 0.304 10 0 DCAELO CN(C)C(=O)C1([NH2+]Cc2nc(N)nc(N(C)C)n2)CCCCC1 ZINC000298028177 281900825 /nfs/dbraw/zinc/90/08/25/281900825.db2.gz BUBMIORTPMJHLK-UHFFFAOYSA-N 1 2 321.429 0.401 10 0 DCAELO O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000557385178 288418844 /nfs/dbraw/zinc/41/88/44/288418844.db2.gz ZUHYMSNIYMQXCO-LLVKDONJSA-N 1 2 324.344 0.670 10 0 DCAELO CO[C@H]1CC[C@@H](NC(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)C1 ZINC000562304268 288564542 /nfs/dbraw/zinc/56/45/42/288564542.db2.gz XCKSOCDDGXWBHC-CABCVRRESA-N 1 2 321.425 0.815 10 0 DCAELO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)CC(=O)N(C)C)CC1 ZINC000172815590 290270137 /nfs/dbraw/zinc/27/01/37/290270137.db2.gz CAOVMDPJVGMHLH-CYBMUJFWSA-N 1 2 304.394 0.765 10 0 DCAELO COC[C@H](C)S(=O)(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000173892976 293048228 /nfs/dbraw/zinc/04/82/28/293048228.db2.gz MPGKNPDKXQMOSL-UONOGXRCSA-N 1 2 320.455 0.538 10 0 DCAELO Cc1cc(NC(=O)CN2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)on1 ZINC000177241671 301349099 /nfs/dbraw/zinc/34/90/99/301349099.db2.gz JSACFHDYYHAXPK-DGCLKSJQSA-N 1 2 308.382 0.574 10 0 DCAELO Cc1cc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)on1 ZINC000177241671 301349103 /nfs/dbraw/zinc/34/91/03/301349103.db2.gz JSACFHDYYHAXPK-DGCLKSJQSA-N 1 2 308.382 0.574 10 0 DCAELO Cc1cc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)on1 ZINC000177241671 301349105 /nfs/dbraw/zinc/34/91/05/301349105.db2.gz JSACFHDYYHAXPK-DGCLKSJQSA-N 1 2 308.382 0.574 10 0 DCAELO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CC(=O)NCc1cccnc1 ZINC000191167572 523809955 /nfs/dbraw/zinc/80/99/55/523809955.db2.gz RXSFSLLTNZOVFM-FMKPAKJESA-N 1 2 317.389 0.971 10 0 DCAELO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CC(=O)NCc1cccnc1 ZINC000191167572 523809964 /nfs/dbraw/zinc/80/99/64/523809964.db2.gz RXSFSLLTNZOVFM-FMKPAKJESA-N 1 2 317.389 0.971 10 0 DCAELO Cc1cnc(CC[N@H+](C)Cc2nc(N)nc(N(C)C)n2)s1 ZINC000157842974 525995817 /nfs/dbraw/zinc/99/58/17/525995817.db2.gz DUVCRQTWNVJUOL-UHFFFAOYSA-N 1 2 307.427 0.959 10 0 DCAELO Cc1cnc(CC[N@@H+](C)Cc2nc(N)nc(N(C)C)n2)s1 ZINC000157842974 525995809 /nfs/dbraw/zinc/99/58/09/525995809.db2.gz DUVCRQTWNVJUOL-UHFFFAOYSA-N 1 2 307.427 0.959 10 0 DCAELO Cc1nc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c(=O)[nH]c1C ZINC000156495998 526640314 /nfs/dbraw/zinc/64/03/14/526640314.db2.gz YSGSOCRVTLMTSE-CYBMUJFWSA-N 1 2 320.393 0.324 10 0 DCAELO CC(C)(C)c1noc(CCC(=O)NC[C@H]2C[NH+]3CCN2CC3)n1 ZINC000178730775 526900984 /nfs/dbraw/zinc/90/09/84/526900984.db2.gz KHSICHFBLIYRMX-LBPRGKRZSA-N 1 2 321.425 0.416 10 0 DCAELO NC(=O)c1csc(C[NH+]2CCN(c3cccnn3)CC2)c1 ZINC000128000735 527100215 /nfs/dbraw/zinc/10/02/15/527100215.db2.gz ZPXUJYHPVZFZIW-UHFFFAOYSA-N 1 2 303.391 0.959 10 0 DCAELO CC(C)C[C@H](CN(C)C)[NH2+]Cc1ccc(S(N)(=O)=O)o1 ZINC000088539202 545711075 /nfs/dbraw/zinc/71/10/75/545711075.db2.gz POMPPFYKIOFRKX-LLVKDONJSA-N 1 2 303.428 0.993 10 0 DCAELO COCC[N@@H+]1CCN(S(=O)(=O)CC[C@H]2CCCO2)C[C@@H]1C ZINC000245971496 545962565 /nfs/dbraw/zinc/96/25/65/545962565.db2.gz ARXJNUPFMUKNLR-UONOGXRCSA-N 1 2 320.455 0.538 10 0 DCAELO COCC[N@H+]1CCN(S(=O)(=O)CC[C@H]2CCCO2)C[C@@H]1C ZINC000245971496 545962567 /nfs/dbraw/zinc/96/25/67/545962567.db2.gz ARXJNUPFMUKNLR-UONOGXRCSA-N 1 2 320.455 0.538 10 0 DCAELO Cc1nc(N2CC[C@](O)(C(N)=O)C2)c(Br)c(C)[nH+]1 ZINC000323126156 546035765 /nfs/dbraw/zinc/03/57/65/546035765.db2.gz UYWIOSVEIDJXAX-LLVKDONJSA-N 1 2 315.171 0.282 10 0 DCAELO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)CCC2CCCC2)CC1 ZINC000333474783 546082167 /nfs/dbraw/zinc/08/21/67/546082167.db2.gz WVLSVOYNBWAQFP-CYBMUJFWSA-N 1 2 304.456 0.895 10 0 DCAELO [NH3+][C@]1(c2ncc(Br)cn2)CCCS(=O)(=O)C1 ZINC000675074549 547658978 /nfs/dbraw/zinc/65/89/78/547658978.db2.gz ZNBPPCSCIZIOOC-SECBINFHSA-N 1 2 306.185 0.602 10 0 DCAELO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1cnc(N)nc1 ZINC000094444244 661262520 /nfs/dbraw/zinc/26/25/20/661262520.db2.gz MOXLEWXTNLGGSQ-WDEREUQCSA-N 1 2 311.411 0.306 10 0 DCAELO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1cnc(N)nc1 ZINC000094444244 661262522 /nfs/dbraw/zinc/26/25/22/661262522.db2.gz MOXLEWXTNLGGSQ-WDEREUQCSA-N 1 2 311.411 0.306 10 0 DCAELO CC(C)C[C@H]1NC(=O)N(CN2CC[C@H]([NH+]3CCOCC3)C2)C1=O ZINC000172961702 664625991 /nfs/dbraw/zinc/62/59/91/664625991.db2.gz GABZZYNUFKXXNF-UONOGXRCSA-N 1 2 324.425 0.317 10 0 DCAELO CC(C)C[C@H]1NC(=O)N(C[N@@H+]2CC[C@H](N3CCOCC3)C2)C1=O ZINC000172961702 664625992 /nfs/dbraw/zinc/62/59/92/664625992.db2.gz GABZZYNUFKXXNF-UONOGXRCSA-N 1 2 324.425 0.317 10 0 DCAELO CC(C)C[C@H]1NC(=O)N(C[N@H+]2CC[C@H](N3CCOCC3)C2)C1=O ZINC000172961702 664625993 /nfs/dbraw/zinc/62/59/93/664625993.db2.gz GABZZYNUFKXXNF-UONOGXRCSA-N 1 2 324.425 0.317 10 0 DCAELO CC(C)S(=O)(=O)CC[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000709784503 667445635 /nfs/dbraw/zinc/44/56/35/667445635.db2.gz MGLHAPRAJGRTAK-VHSXEESVSA-N 1 2 303.346 0.912 10 0 DCAELO CC(C)S(=O)(=O)CC[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000709784503 667445636 /nfs/dbraw/zinc/44/56/36/667445636.db2.gz MGLHAPRAJGRTAK-VHSXEESVSA-N 1 2 303.346 0.912 10 0 DCAELO C[C@H](CN1CCOCC1)NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000177399126 685146825 /nfs/dbraw/zinc/14/68/25/685146825.db2.gz ARBVQXLHHNCPTB-CABCVRRESA-N 1 2 321.425 0.778 10 0 DCAELO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC(=O)N3CCO[C@H](C)C3)[C@@H]2C1 ZINC000246055801 685160414 /nfs/dbraw/zinc/16/04/14/685160414.db2.gz BCEZDGWEPAHNDB-TUVASFSCSA-N 1 2 312.410 0.502 10 0 DCAELO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC(=O)N3CCO[C@H](C)C3)[C@@H]2C1 ZINC000246055801 685160417 /nfs/dbraw/zinc/16/04/17/685160417.db2.gz BCEZDGWEPAHNDB-TUVASFSCSA-N 1 2 312.410 0.502 10 0 DCAELO CC[C@@H]1CN(CCS(=O)(=O)C(C)C)CC[N@@H+]1C[C@H](C)O ZINC000246971152 685168767 /nfs/dbraw/zinc/16/87/67/685168767.db2.gz JCGQJDWJUGXEFL-UONOGXRCSA-N 1 2 306.472 0.587 10 0 DCAELO CC[C@@H]1CN(CCS(=O)(=O)C(C)C)CC[N@H+]1C[C@H](C)O ZINC000246971152 685168772 /nfs/dbraw/zinc/16/87/72/685168772.db2.gz JCGQJDWJUGXEFL-UONOGXRCSA-N 1 2 306.472 0.587 10 0 DCAELO COC(=O)[C@H]1CC(=O)N(C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)C1 ZINC000248450510 685175571 /nfs/dbraw/zinc/17/55/71/685175571.db2.gz YAEOWTFONRBBOV-WCQYABFASA-N 1 2 306.366 0.536 10 0 DCAELO COC(=O)[C@H]1CC(=O)N(C[N@H+]2CCC[C@@H]2c2cnn(C)c2)C1 ZINC000248450510 685175575 /nfs/dbraw/zinc/17/55/75/685175575.db2.gz YAEOWTFONRBBOV-WCQYABFASA-N 1 2 306.366 0.536 10 0 DCAELO CC[N@@H+]1CCC[C@@H](NC(=O)CS[C@H]2CCS(=O)(=O)C2)C1 ZINC000249751643 685183830 /nfs/dbraw/zinc/18/38/30/685183830.db2.gz DCJQLNMGUCTUBO-NEPJUHHUSA-N 1 2 320.480 0.507 10 0 DCAELO CC[N@H+]1CCC[C@@H](NC(=O)CS[C@H]2CCS(=O)(=O)C2)C1 ZINC000249751643 685183834 /nfs/dbraw/zinc/18/38/34/685183834.db2.gz DCJQLNMGUCTUBO-NEPJUHHUSA-N 1 2 320.480 0.507 10 0 DCAELO C[C@@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)CN(C(=O)OC(C)(C)C)C1 ZINC000401679614 774062561 /nfs/dbraw/zinc/06/25/61/774062561.db2.gz QNFHFOPVVGSNFD-GHMZBOCLSA-N 1 2 310.402 0.945 10 0 DCAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1scnc1C1CC1 ZINC000090022835 185278506 /nfs/dbraw/zinc/27/85/06/185278506.db2.gz QVVYCGCWYBKTFA-NSHDSACASA-N 1 2 311.407 0.443 10 0 DCAELO O=C(N[C@@H]1C[C@@H]2OCCC[C@H]12)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000188042054 295814883 /nfs/dbraw/zinc/81/48/83/295814883.db2.gz ODOAOZRABYXHPR-YJNKXOJESA-N 1 2 309.410 0.670 10 0 DCAELO Cc1nn(C)c(C)c1C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000173801420 198253626 /nfs/dbraw/zinc/25/36/26/198253626.db2.gz NEGRTSNXJCGMKB-RISCZKNCSA-N 1 2 306.410 0.830 10 0 DCAELO C[C@@H]1CN(C(=O)c2ccc3n[nH]nc3c2)C[C@H]1[NH+]1CCOCC1 ZINC000173973429 198275168 /nfs/dbraw/zinc/27/51/68/198275168.db2.gz HUFQETAETSPBFZ-IAQYHMDHSA-N 1 2 315.377 0.751 10 0 DCAELO CC(C)C[C@@H](CN(C)C)[NH2+]Cc1ccc(S(N)(=O)=O)o1 ZINC000088539201 545711947 /nfs/dbraw/zinc/71/19/47/545711947.db2.gz POMPPFYKIOFRKX-NSHDSACASA-N 1 2 303.428 0.993 10 0 DCAELO C[N@H+]1CCO[C@H](CNS(=O)(=O)c2ccc(N)cc2F)C1 ZINC000091662467 545717771 /nfs/dbraw/zinc/71/77/71/545717771.db2.gz UIYWQCZZOYQGNA-SNVBAGLBSA-N 1 2 303.359 0.017 10 0 DCAELO C[C@@H]1CN(C(=O)[C@@H](O)c2ccccc2)C[C@@H]1[NH+]1CCOCC1 ZINC000179253980 199005920 /nfs/dbraw/zinc/00/59/20/199005920.db2.gz LOPNWQOTPYRGQT-KBMXLJTQSA-N 1 2 304.390 0.899 10 0 DCAELO CCCN1C(=O)CC[C@@H](C(=O)N2CC(O)C2)[C@@H]1c1c[nH+]cn1C ZINC000373535462 283311080 /nfs/dbraw/zinc/31/10/80/283311080.db2.gz LVDJSRGSUPPZDN-IUODEOHRSA-N 1 2 320.393 0.313 10 0 DCAELO O=C(NC1CC1)c1cccc(OC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000154282757 291212155 /nfs/dbraw/zinc/21/21/55/291212155.db2.gz UQCRQGSJMFWOLK-HNNXBMFYSA-N 1 2 320.389 0.651 10 0 DCAELO CC(C)[C@@H](O)CC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000154701378 291215079 /nfs/dbraw/zinc/21/50/79/291215079.db2.gz ZOURGWJTFGFCEM-JSGCOSHPSA-N 1 2 311.426 0.205 10 0 DCAELO Cc1cc(F)ccc1CN1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000275758349 238312072 /nfs/dbraw/zinc/31/20/72/238312072.db2.gz QORHZEYVYFGBHN-HNNXBMFYSA-N 1 2 309.385 0.752 10 0 DCAELO Cc1cc(F)ccc1CN1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000275758349 238312076 /nfs/dbraw/zinc/31/20/76/238312076.db2.gz QORHZEYVYFGBHN-HNNXBMFYSA-N 1 2 309.385 0.752 10 0 DCAELO Cc1cc(F)ccc1C[N@@H+]1CCO[C@@H](CN(C)CC(N)=O)C1 ZINC000275758349 238312081 /nfs/dbraw/zinc/31/20/81/238312081.db2.gz QORHZEYVYFGBHN-HNNXBMFYSA-N 1 2 309.385 0.752 10 0 DCAELO Cc1cc(F)ccc1C[N@H+]1CCO[C@@H](CN(C)CC(N)=O)C1 ZINC000275758349 238312087 /nfs/dbraw/zinc/31/20/87/238312087.db2.gz QORHZEYVYFGBHN-HNNXBMFYSA-N 1 2 309.385 0.752 10 0 DCAELO COc1ccnc(N2CC[C@H]([N@H+](C)Cc3ncccn3)C2)n1 ZINC000275503300 212377862 /nfs/dbraw/zinc/37/78/62/212377862.db2.gz CCVHADIJMOXWKL-LBPRGKRZSA-N 1 2 300.366 0.986 10 0 DCAELO COc1ccnc(N2CC[C@H]([N@@H+](C)Cc3ncccn3)C2)n1 ZINC000275503300 212377867 /nfs/dbraw/zinc/37/78/67/212377867.db2.gz CCVHADIJMOXWKL-LBPRGKRZSA-N 1 2 300.366 0.986 10 0 DCAELO COC(=O)c1ccc(NC[C@@H]2CN(C)CC[N@@H+]2C)nc1OC ZINC000274878080 212002444 /nfs/dbraw/zinc/00/24/44/212002444.db2.gz GYVPYAXDNBGSMS-LLVKDONJSA-N 1 2 308.382 0.535 10 0 DCAELO COC(=O)c1ccc(NC[C@@H]2CN(C)CC[N@H+]2C)nc1OC ZINC000274878080 212002446 /nfs/dbraw/zinc/00/24/46/212002446.db2.gz GYVPYAXDNBGSMS-LLVKDONJSA-N 1 2 308.382 0.535 10 0 DCAELO CCN(CC)C(=O)CN(C)c1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000105786195 194128264 /nfs/dbraw/zinc/12/82/64/194128264.db2.gz ZBDUAKVJNZUYOH-CYBMUJFWSA-N 1 2 321.425 0.742 10 0 DCAELO CCN(CC)C(=O)CN(C)c1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000105786195 194128267 /nfs/dbraw/zinc/12/82/67/194128267.db2.gz ZBDUAKVJNZUYOH-CYBMUJFWSA-N 1 2 321.425 0.742 10 0 DCAELO CCn1cc(C[N@@H+]2CCCN(C(=O)c3cnn(C)c3)CC2)cn1 ZINC000105828878 194139171 /nfs/dbraw/zinc/13/91/71/194139171.db2.gz SLTDAEJTVQGNKN-UHFFFAOYSA-N 1 2 316.409 0.985 10 0 DCAELO CCn1cc(C[N@H+]2CCCN(C(=O)c3cnn(C)c3)CC2)cn1 ZINC000105828878 194139174 /nfs/dbraw/zinc/13/91/74/194139174.db2.gz SLTDAEJTVQGNKN-UHFFFAOYSA-N 1 2 316.409 0.985 10 0 DCAELO Cc1ncc(C[NH+]2CCN(Cc3nc(N)nc(N)n3)CC2)s1 ZINC000105813855 194134758 /nfs/dbraw/zinc/13/47/58/194134758.db2.gz IIJPRWBOKCPDKU-UHFFFAOYSA-N 1 2 320.426 0.119 10 0 DCAELO Cn1cc(C[NH+]2CCN(C(=O)c3ccco3)CC2)ccc1=O ZINC000065285900 184321773 /nfs/dbraw/zinc/32/17/73/184321773.db2.gz JUGCIBRPUZAWAP-UHFFFAOYSA-N 1 2 301.346 0.936 10 0 DCAELO CC(=O)[C@@](C)(O)C[NH+]1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000347704385 254180560 /nfs/dbraw/zinc/18/05/60/254180560.db2.gz IIRUNHCXCQFKNS-KRWDZBQOSA-N 1 2 319.405 0.583 10 0 DCAELO Cn1cc[nH+]c1CN1C[C@H](F)C[C@H]1CNC(=O)[C@@H]1CCCO1 ZINC000351632901 254355085 /nfs/dbraw/zinc/35/50/85/254355085.db2.gz KXQMISNJGASUMJ-AGIUHOORSA-N 1 2 310.373 0.628 10 0 DCAELO Cn1nnc2ccc(C(=O)N3CC[C@H]4OCC[N@H+](C)[C@H]4C3)cc21 ZINC000284167709 131055801 /nfs/dbraw/zinc/05/58/01/131055801.db2.gz RJJHHXRXOSQDFP-LSDHHAIUSA-N 1 2 315.377 0.513 10 0 DCAELO Cn1nnc2ccc(C(=O)N3CC[C@H]4OCC[N@@H+](C)[C@H]4C3)cc21 ZINC000284167709 131055802 /nfs/dbraw/zinc/05/58/02/131055802.db2.gz RJJHHXRXOSQDFP-LSDHHAIUSA-N 1 2 315.377 0.513 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccc(NC(N)=O)c3)C[C@@H]21 ZINC000284230566 131061390 /nfs/dbraw/zinc/06/13/90/131061390.db2.gz VSMQUKGWIDYXHH-KBPBESRZSA-N 1 2 318.377 0.722 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)c3cccc(NC(N)=O)c3)C[C@@H]21 ZINC000284230566 131061392 /nfs/dbraw/zinc/06/13/92/131061392.db2.gz VSMQUKGWIDYXHH-KBPBESRZSA-N 1 2 318.377 0.722 10 0 DCAELO Cc1c(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)cnn1C ZINC000285422512 131166454 /nfs/dbraw/zinc/16/64/54/131166454.db2.gz NHRHAGKZRGYXND-KBPBESRZSA-N 1 2 307.398 0.343 10 0 DCAELO Cc1c(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)cnn1C ZINC000285422512 131166455 /nfs/dbraw/zinc/16/64/55/131166455.db2.gz NHRHAGKZRGYXND-KBPBESRZSA-N 1 2 307.398 0.343 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)NCCc3ccncc3)C[C@@H]21 ZINC000285450414 131169115 /nfs/dbraw/zinc/16/91/15/131169115.db2.gz JLEFFANPBSXLLS-GJZGRUSLSA-N 1 2 304.394 0.739 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)NCCc3ccncc3)C[C@@H]21 ZINC000285450414 131169117 /nfs/dbraw/zinc/16/91/17/131169117.db2.gz JLEFFANPBSXLLS-GJZGRUSLSA-N 1 2 304.394 0.739 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCCc3ccncc3)C[C@H]21 ZINC000285450416 131169792 /nfs/dbraw/zinc/16/97/92/131169792.db2.gz JLEFFANPBSXLLS-HUUCEWRRSA-N 1 2 304.394 0.739 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCCc3ccncc3)C[C@H]21 ZINC000285450416 131169794 /nfs/dbraw/zinc/16/97/94/131169794.db2.gz JLEFFANPBSXLLS-HUUCEWRRSA-N 1 2 304.394 0.739 10 0 DCAELO C[C@H](C(=O)NC(=O)NCC(F)(F)F)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000024229918 395692690 /nfs/dbraw/zinc/69/26/90/395692690.db2.gz NBTFYAHJZSETFX-IWSPIJDZSA-N 1 2 311.304 0.872 10 0 DCAELO COc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000027565969 395695229 /nfs/dbraw/zinc/69/52/29/395695229.db2.gz CQCFMKQZPGUFBG-HNNXBMFYSA-N 1 2 319.405 0.864 10 0 DCAELO COc1ccc(CNC(=O)C[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000027565969 395695230 /nfs/dbraw/zinc/69/52/30/395695230.db2.gz CQCFMKQZPGUFBG-HNNXBMFYSA-N 1 2 319.405 0.864 10 0 DCAELO COC(=O)Cn1ncc2c1nc[nH+]c2N1CC[C@H](C)[C@@H](O)C1 ZINC000092977460 395735081 /nfs/dbraw/zinc/73/50/81/395735081.db2.gz LBGSIZVCHPICEG-ONGXEEELSA-N 1 2 305.338 0.206 10 0 DCAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1nc2cccnc2s1 ZINC000193874840 395780975 /nfs/dbraw/zinc/78/09/75/395780975.db2.gz IVRRLKWQWQDFPK-JTQLQIEISA-N 1 2 322.390 0.114 10 0 DCAELO C=Cn1cc(C[N@@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)cn1 ZINC000194076248 395787839 /nfs/dbraw/zinc/78/78/39/395787839.db2.gz DYEQDWQLLGSAMN-AWEZNQCLSA-N 1 2 310.423 0.984 10 0 DCAELO C=Cn1cc(C[N@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)cn1 ZINC000194076248 395787841 /nfs/dbraw/zinc/78/78/41/395787841.db2.gz DYEQDWQLLGSAMN-AWEZNQCLSA-N 1 2 310.423 0.984 10 0 DCAELO CO[C@@H](C)CS(=O)(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000195082647 395814847 /nfs/dbraw/zinc/81/48/47/395814847.db2.gz RXXMPRCUXVUWRY-NSHDSACASA-N 1 2 310.379 0.722 10 0 DCAELO CO[C@@H](C)CS(=O)(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000195453457 395827534 /nfs/dbraw/zinc/82/75/34/395827534.db2.gz SMKLCMBQCPMGJT-ZDUSSCGKSA-N 1 2 313.423 0.958 10 0 DCAELO C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000195505352 395830094 /nfs/dbraw/zinc/83/00/94/395830094.db2.gz YADFVNVJTLQPCB-SNVBAGLBSA-N 1 2 305.382 0.966 10 0 DCAELO CCOCC[N@@H+]1CCN(S(=O)(=O)[C@@H](C)COC)C[C@@H]1CC ZINC000117925040 395856764 /nfs/dbraw/zinc/85/67/64/395856764.db2.gz HDWKYXUPWOTPTB-KBPBESRZSA-N 1 2 322.471 0.784 10 0 DCAELO CCOCC[N@H+]1CCN(S(=O)(=O)[C@@H](C)COC)C[C@@H]1CC ZINC000117925040 395856768 /nfs/dbraw/zinc/85/67/68/395856768.db2.gz HDWKYXUPWOTPTB-KBPBESRZSA-N 1 2 322.471 0.784 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)NCCCCO)nc[nH+]1 ZINC000194469161 395798229 /nfs/dbraw/zinc/79/82/29/395798229.db2.gz DHSBMIGVQPWRPO-LBPRGKRZSA-N 1 2 322.413 0.559 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)NCCCCO)[nH+]cn1 ZINC000194469161 395798232 /nfs/dbraw/zinc/79/82/32/395798232.db2.gz DHSBMIGVQPWRPO-LBPRGKRZSA-N 1 2 322.413 0.559 10 0 DCAELO CC(C)NC(=O)c1ccc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000119854701 395877369 /nfs/dbraw/zinc/87/73/69/395877369.db2.gz KJFQJDYITUJGOX-OAHLLOKOSA-N 1 2 319.405 0.885 10 0 DCAELO CC(C)NC(=O)c1ccc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000119854701 395877372 /nfs/dbraw/zinc/87/73/72/395877372.db2.gz KJFQJDYITUJGOX-OAHLLOKOSA-N 1 2 319.405 0.885 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2cccc(-n3cccn3)n2)C1 ZINC000135422120 395940579 /nfs/dbraw/zinc/94/05/79/395940579.db2.gz LODUHOSCMDNZOQ-LBPRGKRZSA-N 1 2 301.350 0.328 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)c2cccc(-n3cccn3)n2)C1 ZINC000135422120 395940580 /nfs/dbraw/zinc/94/05/80/395940580.db2.gz LODUHOSCMDNZOQ-LBPRGKRZSA-N 1 2 301.350 0.328 10 0 DCAELO CC(C)N(C)S(=O)(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000246430754 395949540 /nfs/dbraw/zinc/94/95/40/395949540.db2.gz GWMBQGIHHXDEJA-CHWSQXEVSA-N 1 2 305.444 0.224 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@@H](O)c2ccc(F)cc2)C1 ZINC000246553373 395952658 /nfs/dbraw/zinc/95/26/58/395952658.db2.gz YLEPMXGHYFJEOH-UONOGXRCSA-N 1 2 311.357 0.489 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)NC[C@@H](O)c2ccc(F)cc2)C1 ZINC000246553373 395952662 /nfs/dbraw/zinc/95/26/62/395952662.db2.gz YLEPMXGHYFJEOH-UONOGXRCSA-N 1 2 311.357 0.489 10 0 DCAELO CC[C@@H]1CN(C(=O)CCCS(C)(=O)=O)CC[N@@H+]1C[C@H](C)O ZINC000246939081 395961677 /nfs/dbraw/zinc/96/16/77/395961677.db2.gz RPPTVEOFTVDXOS-QWHCGFSZSA-N 1 2 320.455 0.115 10 0 DCAELO CC[C@@H]1CN(C(=O)CCCS(C)(=O)=O)CC[N@H+]1C[C@H](C)O ZINC000246939081 395961678 /nfs/dbraw/zinc/96/16/78/395961678.db2.gz RPPTVEOFTVDXOS-QWHCGFSZSA-N 1 2 320.455 0.115 10 0 DCAELO COCCCNC(=O)[C@H](C)[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000247010822 395963725 /nfs/dbraw/zinc/96/37/25/395963725.db2.gz CDWSTCSKXZCUAJ-UONOGXRCSA-N 1 2 310.398 0.125 10 0 DCAELO COCCCNC(=O)[C@H](C)[N@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000247010822 395963728 /nfs/dbraw/zinc/96/37/28/395963728.db2.gz CDWSTCSKXZCUAJ-UONOGXRCSA-N 1 2 310.398 0.125 10 0 DCAELO C[C@H](C(=O)Nc1ccccc1)[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247243400 395969815 /nfs/dbraw/zinc/96/98/15/395969815.db2.gz XCOFYXSKEJDSLY-DGCLKSJQSA-N 1 2 311.407 0.637 10 0 DCAELO C[C@H](C(=O)Nc1ccccc1)[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247243400 395969819 /nfs/dbraw/zinc/96/98/19/395969819.db2.gz XCOFYXSKEJDSLY-DGCLKSJQSA-N 1 2 311.407 0.637 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)Nc2ccc(-n3ccnn3)cc2)C1 ZINC000150828420 395973658 /nfs/dbraw/zinc/97/36/58/395973658.db2.gz ZMPPYFJJXLHOFS-AWEZNQCLSA-N 1 2 316.365 0.719 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)Nc2ccc(-n3ccnn3)cc2)C1 ZINC000150828420 395973659 /nfs/dbraw/zinc/97/36/59/395973659.db2.gz ZMPPYFJJXLHOFS-AWEZNQCLSA-N 1 2 316.365 0.719 10 0 DCAELO C[C@@H]1C[N@H+](C[C@@H](O)C(F)(F)F)CCN1C[C@@H](O)C(F)(F)F ZINC000248391196 395985301 /nfs/dbraw/zinc/98/53/01/395985301.db2.gz JAKLJJDGFMNKQX-IWSPIJDZSA-N 1 2 324.265 0.839 10 0 DCAELO C[C@@H]1C[N@@H+](C[C@@H](O)C(F)(F)F)CCN1C[C@@H](O)C(F)(F)F ZINC000248391196 395985304 /nfs/dbraw/zinc/98/53/04/395985304.db2.gz JAKLJJDGFMNKQX-IWSPIJDZSA-N 1 2 324.265 0.839 10 0 DCAELO C[C@@H]1CN(C[C@@H](O)C(F)(F)F)CC[N@@H+]1C[C@@H](O)C(F)(F)F ZINC000248391196 395985306 /nfs/dbraw/zinc/98/53/06/395985306.db2.gz JAKLJJDGFMNKQX-IWSPIJDZSA-N 1 2 324.265 0.839 10 0 DCAELO C[C@@H]1CN(C[C@@H](O)C(F)(F)F)CC[N@H+]1C[C@@H](O)C(F)(F)F ZINC000248391196 395985309 /nfs/dbraw/zinc/98/53/09/395985309.db2.gz JAKLJJDGFMNKQX-IWSPIJDZSA-N 1 2 324.265 0.839 10 0 DCAELO CCOCC[N@@H+]1CCN(S(=O)(=O)CCCCOC)C[C@H]1C ZINC000248478106 395989128 /nfs/dbraw/zinc/98/91/28/395989128.db2.gz PIKMRMFAYGXFJV-CQSZACIVSA-N 1 2 322.471 0.785 10 0 DCAELO CCOCC[N@H+]1CCN(S(=O)(=O)CCCCOC)C[C@H]1C ZINC000248478106 395989130 /nfs/dbraw/zinc/98/91/30/395989130.db2.gz PIKMRMFAYGXFJV-CQSZACIVSA-N 1 2 322.471 0.785 10 0 DCAELO C[C@H](Oc1ccccc1)C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000154119284 396031104 /nfs/dbraw/zinc/03/11/04/396031104.db2.gz FGTKTFCHBWPRFN-KBPBESRZSA-N 1 2 308.378 0.263 10 0 DCAELO CCOc1ccc(CC(=O)NC[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000154131986 396032432 /nfs/dbraw/zinc/03/24/32/396032432.db2.gz QCPCFRYJCUTAHB-OAHLLOKOSA-N 1 2 322.405 0.437 10 0 DCAELO Cn1cc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2cccnc2)cn1 ZINC000261817262 396068682 /nfs/dbraw/zinc/06/86/82/396068682.db2.gz XKKCNVPWPJVAAV-ZDUSSCGKSA-N 1 2 307.379 0.150 10 0 DCAELO C[C@H]1CN(C(=O)COc2ccccc2O)C[C@@H]1[NH+]1CCOCC1 ZINC000152315429 396005420 /nfs/dbraw/zinc/00/54/20/396005420.db2.gz BCVKFGLQVPLCLW-KBPBESRZSA-N 1 2 320.389 0.950 10 0 DCAELO C[N@@H+]1CC[C@H](Nc2nc[nH]c(=O)c2I)C1 ZINC000165228219 396087580 /nfs/dbraw/zinc/08/75/80/396087580.db2.gz DFDMQIHLPHDUMX-LURJTMIESA-N 1 2 320.134 0.491 10 0 DCAELO C[N@H+]1CC[C@H](Nc2nc[nH]c(=O)c2I)C1 ZINC000165228219 396087583 /nfs/dbraw/zinc/08/75/83/396087583.db2.gz DFDMQIHLPHDUMX-LURJTMIESA-N 1 2 320.134 0.491 10 0 DCAELO Cn1cc([C@@H]2CCCN2C(=O)NC[C@H]2C[N@H+](C)CCO2)cn1 ZINC000170924220 396101258 /nfs/dbraw/zinc/10/12/58/396101258.db2.gz YJBAKVLCVSPELB-KBPBESRZSA-N 1 2 307.398 0.597 10 0 DCAELO Cn1cc([C@@H]2CCCN2C(=O)NC[C@H]2C[N@@H+](C)CCO2)cn1 ZINC000170924220 396101262 /nfs/dbraw/zinc/10/12/62/396101262.db2.gz YJBAKVLCVSPELB-KBPBESRZSA-N 1 2 307.398 0.597 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC000171286667 396112896 /nfs/dbraw/zinc/11/28/96/396112896.db2.gz GXNKEPJDEIIQRM-AWEZNQCLSA-N 1 2 301.350 0.328 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC000171286667 396112900 /nfs/dbraw/zinc/11/29/00/396112900.db2.gz GXNKEPJDEIIQRM-AWEZNQCLSA-N 1 2 301.350 0.328 10 0 DCAELO C[C@H](CNC(=O)NC[C@@H](O)CC(C)(C)C)[NH+]1CCOCC1 ZINC000172282030 396130134 /nfs/dbraw/zinc/13/01/34/396130134.db2.gz AWYVRBGJVSMIPG-OLZOCXBDSA-N 1 2 301.431 0.803 10 0 DCAELO CC(C)CCC(=O)NCC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172764710 396133188 /nfs/dbraw/zinc/13/31/88/396133188.db2.gz KGKNPHFWHKBQHN-CQSZACIVSA-N 1 2 311.426 0.472 10 0 DCAELO C[C@@H](C(=O)N1CCS(=O)(=O)[C@@H](C)C1)[NH+]1CCCCCC1 ZINC000174027745 396137370 /nfs/dbraw/zinc/13/73/70/396137370.db2.gz JBHBZKJEYPHXRY-STQMWFEESA-N 1 2 302.440 0.896 10 0 DCAELO O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCO[C@H](Cn2cccn2)C1 ZINC000263228099 396207746 /nfs/dbraw/zinc/20/77/46/396207746.db2.gz NBODRWNARKBHRK-WDEREUQCSA-N 1 2 300.309 0.108 10 0 DCAELO COc1ccc(CNC(=O)C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)cc1 ZINC000175899574 396145293 /nfs/dbraw/zinc/14/52/93/396145293.db2.gz JPXJZHXCGPYTTO-CYBMUJFWSA-N 1 2 318.377 0.021 10 0 DCAELO COc1ccc(CNC(=O)C[N@H+]2CCN3C(=O)NC[C@@H]3C2)cc1 ZINC000175899574 396145295 /nfs/dbraw/zinc/14/52/95/396145295.db2.gz JPXJZHXCGPYTTO-CYBMUJFWSA-N 1 2 318.377 0.021 10 0 DCAELO CCC(C)(C)NC(=O)C[NH+]1CCN(Cc2noc(C)n2)CC1 ZINC000074311355 396164017 /nfs/dbraw/zinc/16/40/17/396164017.db2.gz AWTLTDWHMLXFMH-UHFFFAOYSA-N 1 2 309.414 0.800 10 0 DCAELO C[C@H](NC(=O)[C@H]1CC(F)(F)C[NH2+]1)C(=O)NCc1ccccc1 ZINC000263069108 396199675 /nfs/dbraw/zinc/19/96/75/396199675.db2.gz WIHQXEQWPKGHRY-CMPLNLGQSA-N 1 2 311.332 0.805 10 0 DCAELO NC(=O)COc1cccc(CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)c1 ZINC000263110601 396202200 /nfs/dbraw/zinc/20/22/00/396202200.db2.gz AHMHHIRDHVFDBD-LLVKDONJSA-N 1 2 313.304 0.164 10 0 DCAELO C[C@H]([NH2+]Cc1nc(N)nc(N)n1)c1ccc(-n2ccnn2)cc1 ZINC000182027654 396246038 /nfs/dbraw/zinc/24/60/38/396246038.db2.gz YSIDQRBFOZOIHE-VIFPVBQESA-N 1 2 311.353 0.468 10 0 DCAELO COCCCCS(=O)(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000184827652 396308185 /nfs/dbraw/zinc/30/81/85/396308185.db2.gz IXVUFCYCWDYMEC-CYBMUJFWSA-N 1 2 308.444 0.301 10 0 DCAELO CCOCCCNC(=O)[C@H](C)[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185207639 396321779 /nfs/dbraw/zinc/32/17/79/396321779.db2.gz YEKSFPUUFCPWGV-DZGCQCFKSA-N 1 2 300.399 0.409 10 0 DCAELO CCOCCCNC(=O)[C@H](C)[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185207639 396321782 /nfs/dbraw/zinc/32/17/82/396321782.db2.gz YEKSFPUUFCPWGV-DZGCQCFKSA-N 1 2 300.399 0.409 10 0 DCAELO CN1C[C@H](NC(=O)N2CC[NH+](Cc3ccco3)CC2)CCC1=O ZINC000265816158 396344674 /nfs/dbraw/zinc/34/46/74/396344674.db2.gz QWCZZNCMJUGHCI-CYBMUJFWSA-N 1 2 320.393 0.728 10 0 DCAELO CCOC(=O)c1nn(C)cc1C[N@@H+]1CCC[C@@H](NC(C)=O)C1 ZINC000186182407 396343942 /nfs/dbraw/zinc/34/39/42/396343942.db2.gz LBBXBZYZEOVGLT-CYBMUJFWSA-N 1 2 308.382 0.697 10 0 DCAELO CCOC(=O)c1nn(C)cc1C[N@H+]1CCC[C@@H](NC(C)=O)C1 ZINC000186182407 396343944 /nfs/dbraw/zinc/34/39/44/396343944.db2.gz LBBXBZYZEOVGLT-CYBMUJFWSA-N 1 2 308.382 0.697 10 0 DCAELO CCc1cc(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)n[nH]1 ZINC000186711918 396356421 /nfs/dbraw/zinc/35/64/21/396356421.db2.gz YJKOVXDAIGRZFK-GFCCVEGCSA-N 1 2 305.382 0.009 10 0 DCAELO CC(C)C[C@H](CO)N(C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000188365529 396381676 /nfs/dbraw/zinc/38/16/76/396381676.db2.gz IPLVQHJPXXGXGD-ZIAGYGMSSA-N 1 2 301.431 0.756 10 0 DCAELO CCc1nnc(C2CC[NH+](CC(=O)NC[C@@H]3CCCO3)CC2)[nH]1 ZINC000190670286 396409605 /nfs/dbraw/zinc/40/96/05/396409605.db2.gz OZCKLZOWCFQTCM-ZDUSSCGKSA-N 1 2 321.425 0.842 10 0 DCAELO CCc1n[nH]c(C2CC[NH+](CC(=O)NC[C@@H]3CCCO3)CC2)n1 ZINC000190670286 396409607 /nfs/dbraw/zinc/40/96/07/396409607.db2.gz OZCKLZOWCFQTCM-ZDUSSCGKSA-N 1 2 321.425 0.842 10 0 DCAELO CCc1nc(C2CC[NH+](CC(=O)NC[C@@H]3CCCO3)CC2)n[nH]1 ZINC000190670286 396409609 /nfs/dbraw/zinc/40/96/09/396409609.db2.gz OZCKLZOWCFQTCM-ZDUSSCGKSA-N 1 2 321.425 0.842 10 0 DCAELO COCCN1CCC[N@@H+]([C@H](C)C(=O)NCCC(C)C)CC1=O ZINC000190772264 396410823 /nfs/dbraw/zinc/41/08/23/396410823.db2.gz JLVDBLCQOPWSJQ-CQSZACIVSA-N 1 2 313.442 0.718 10 0 DCAELO COCCN1CCC[N@H+]([C@H](C)C(=O)NCCC(C)C)CC1=O ZINC000190772264 396410824 /nfs/dbraw/zinc/41/08/24/396410824.db2.gz JLVDBLCQOPWSJQ-CQSZACIVSA-N 1 2 313.442 0.718 10 0 DCAELO CN1CCC[N@@H+]([C@@H](Cc2ccc(Cl)cc2)C(N)=O)CC1=O ZINC000191128216 396416136 /nfs/dbraw/zinc/41/61/36/396416136.db2.gz SYQYAFLUDSCZCO-ZDUSSCGKSA-N 1 2 309.797 0.901 10 0 DCAELO CN1CCC[N@H+]([C@@H](Cc2ccc(Cl)cc2)C(N)=O)CC1=O ZINC000191128216 396416138 /nfs/dbraw/zinc/41/61/38/396416138.db2.gz SYQYAFLUDSCZCO-ZDUSSCGKSA-N 1 2 309.797 0.901 10 0 DCAELO C[C@H](C(=O)NC(=O)Nc1ccccc1)[N@@H+]1CCCN(C)C(=O)C1 ZINC000191105366 396416198 /nfs/dbraw/zinc/41/61/98/396416198.db2.gz MEFXISVJUROURO-GFCCVEGCSA-N 1 2 318.377 0.887 10 0 DCAELO C[C@H](C(=O)NC(=O)Nc1ccccc1)[N@H+]1CCCN(C)C(=O)C1 ZINC000191105366 396416200 /nfs/dbraw/zinc/41/62/00/396416200.db2.gz MEFXISVJUROURO-GFCCVEGCSA-N 1 2 318.377 0.887 10 0 DCAELO Cn1cnc(-c2cccc(OC[C@@H](O)C[NH+]3CCOCC3)c2)n1 ZINC000191395255 396418776 /nfs/dbraw/zinc/41/87/76/396418776.db2.gz RJAFMTXQJQFVCY-AWEZNQCLSA-N 1 2 318.377 0.554 10 0 DCAELO O=C(c1ncsc1Br)N1CC[NH+](CCO)CC1 ZINC000288021517 396437965 /nfs/dbraw/zinc/43/79/65/396437965.db2.gz LLFAVXMGZUSZER-UHFFFAOYSA-N 1 2 320.212 0.656 10 0 DCAELO CCn1ncnc1C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000193299846 396448885 /nfs/dbraw/zinc/44/88/85/396448885.db2.gz UQKLZPQJBMQUHW-ZDUSSCGKSA-N 1 2 307.398 0.369 10 0 DCAELO CCn1ncnc1C[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000193299846 396448890 /nfs/dbraw/zinc/44/88/90/396448890.db2.gz UQKLZPQJBMQUHW-ZDUSSCGKSA-N 1 2 307.398 0.369 10 0 DCAELO Cc1ccn(-c2ccc(NC[C@H](O)C[NH+]3CCOCC3)nn2)n1 ZINC000301747823 396717718 /nfs/dbraw/zinc/71/77/18/396717718.db2.gz ZMZPUYJXRCJSJO-ZDUSSCGKSA-N 1 2 318.381 0.076 10 0 DCAELO O=C(C[N@@H+]1C[C@H](O)C[C@H]1c1ccc(F)cc1)NC(=O)NC1CC1 ZINC000611137876 396822833 /nfs/dbraw/zinc/82/28/33/396822833.db2.gz CWHHQLFGFXRLGE-KGLIPLIRSA-N 1 2 321.352 0.922 10 0 DCAELO O=C(C[N@H+]1C[C@H](O)C[C@H]1c1ccc(F)cc1)NC(=O)NC1CC1 ZINC000611137876 396822838 /nfs/dbraw/zinc/82/28/38/396822838.db2.gz CWHHQLFGFXRLGE-KGLIPLIRSA-N 1 2 321.352 0.922 10 0 DCAELO CCN1CCN(C(=O)c2cc(C)nc(=O)[nH]2)C[C@H]1c1[nH]cc[nH+]1 ZINC000328627151 396825465 /nfs/dbraw/zinc/82/54/65/396825465.db2.gz MLNZUBKGDWRKMF-LBPRGKRZSA-N 1 2 316.365 0.733 10 0 DCAELO Cc1cc(C)n(CC(=O)N2CCN(C)[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000328630652 396826920 /nfs/dbraw/zinc/82/69/20/396826920.db2.gz QBZSVFIWFMIGFL-ZDUSSCGKSA-N 1 2 302.382 0.738 10 0 DCAELO CCN1CCN(C(=O)c2cc(OC)no2)C[C@H]1c1[nH+]ccn1C ZINC000328630828 396827368 /nfs/dbraw/zinc/82/73/68/396827368.db2.gz QGFRJHDDXSDFFJ-NSHDSACASA-N 1 2 319.365 0.936 10 0 DCAELO C[C@H]1OCC[C@@H]1S(=O)(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000329408286 396844552 /nfs/dbraw/zinc/84/45/52/396844552.db2.gz DDXQVZAPUYZASA-SYQHCUMBSA-N 1 2 318.439 0.289 10 0 DCAELO CCOC(=O)CCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000611361364 396858309 /nfs/dbraw/zinc/85/83/09/396858309.db2.gz QBJVGWKCRWWPRC-UHFFFAOYSA-N 1 2 304.306 0.342 10 0 DCAELO C[C@H](NC(=O)C1CCCC1)C(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000332762695 396893854 /nfs/dbraw/zinc/89/38/54/396893854.db2.gz WVUSRRBEWCHSSW-NWANDNLSSA-N 1 2 323.437 0.613 10 0 DCAELO C[C@H](NC(=O)C1CCCC1)C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000332762695 396893863 /nfs/dbraw/zinc/89/38/63/396893863.db2.gz WVUSRRBEWCHSSW-NWANDNLSSA-N 1 2 323.437 0.613 10 0 DCAELO COC(=O)C[C@H]1COCC[N@@H+]1CCNC(=O)OC(C)(C)C ZINC000376533455 396942425 /nfs/dbraw/zinc/94/24/25/396942425.db2.gz RMDPIDVLJWWFFU-NSHDSACASA-N 1 2 302.371 0.775 10 0 DCAELO COC(=O)C[C@H]1COCC[N@H+]1CCNC(=O)OC(C)(C)C ZINC000376533455 396942428 /nfs/dbraw/zinc/94/24/28/396942428.db2.gz RMDPIDVLJWWFFU-NSHDSACASA-N 1 2 302.371 0.775 10 0 DCAELO CC(=O)C[C@H]1COCCN1C(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000626420730 397158464 /nfs/dbraw/zinc/15/84/64/397158464.db2.gz RFFCPIXPEZGBMM-KBPBESRZSA-N 1 2 305.378 0.960 10 0 DCAELO COCC[C@H](C)S(=O)(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000408243286 397351431 /nfs/dbraw/zinc/35/14/31/397351431.db2.gz FRUSMXNEUBQADQ-RDBSUJKOSA-N 1 2 320.455 0.394 10 0 DCAELO CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2cc[nH]n2)CC1 ZINC000370603165 397507775 /nfs/dbraw/zinc/50/77/75/397507775.db2.gz SRFZNPOWTWXTCC-CQSZACIVSA-N 1 2 305.382 0.237 10 0 DCAELO CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2cc[nH]n2)CC1 ZINC000370603165 397507782 /nfs/dbraw/zinc/50/77/82/397507782.db2.gz SRFZNPOWTWXTCC-CQSZACIVSA-N 1 2 305.382 0.237 10 0 DCAELO O=C(NCC1(CO)CCCC1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000579542877 397578131 /nfs/dbraw/zinc/57/81/31/397578131.db2.gz UGEQBTZIMFAHRS-UHFFFAOYSA-N 1 2 316.361 0.942 10 0 DCAELO CNC(=O)[C@@]1(COC)CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000606444921 397681756 /nfs/dbraw/zinc/68/17/56/397681756.db2.gz FXYJIYNTPYRBLQ-HSMVNMDESA-N 1 2 320.393 0.277 10 0 DCAELO CCC(C)(C)[C@@H](O)C(=O)N[C@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC000606444869 397681931 /nfs/dbraw/zinc/68/19/31/397681931.db2.gz BYVZHASKCADMFI-WFASDCNBSA-N 1 2 323.437 0.954 10 0 DCAELO COCC(=O)N1CCN(C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000606581424 397684097 /nfs/dbraw/zinc/68/40/97/397684097.db2.gz CIWXIYMIBAWLMA-UHFFFAOYSA-N 1 2 317.349 0.657 10 0 DCAELO C[C@H]([NH2+]Cc1cn(C)nn1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000608055613 397715180 /nfs/dbraw/zinc/71/51/80/397715180.db2.gz WXVRTHRTEQOGAQ-NSHDSACASA-N 1 2 323.422 0.916 10 0 DCAELO CCc1[nH+]c2ccccc2n1CC(=O)N1CCNC(=O)CC1 ZINC000065903151 158034631 /nfs/dbraw/zinc/03/46/31/158034631.db2.gz PPRPLAZJXORERR-UHFFFAOYSA-N 1 2 300.362 0.947 10 0 DCAELO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CCNS(=O)(=O)CC ZINC000069222512 158045105 /nfs/dbraw/zinc/04/51/05/158045105.db2.gz XTWCVPCCPZEVFA-GFCCVEGCSA-N 1 2 305.444 0.259 10 0 DCAELO CCN(CC)C(=O)[C@H]1CCC[N@H+]1CCNS(=O)(=O)CC ZINC000069222512 158045107 /nfs/dbraw/zinc/04/51/07/158045107.db2.gz XTWCVPCCPZEVFA-GFCCVEGCSA-N 1 2 305.444 0.259 10 0 DCAELO CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000070979576 158048822 /nfs/dbraw/zinc/04/88/22/158048822.db2.gz IKCGAMZPQXNJIM-LLVKDONJSA-N 1 2 314.411 0.572 10 0 DCAELO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1cc(-c2ccco2)on1 ZINC000090698326 158105010 /nfs/dbraw/zinc/10/50/10/158105010.db2.gz YCZZBMSDHIVYMX-NSHDSACASA-N 1 2 302.334 0.664 10 0 DCAELO C[C@H](C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)n1cncn1 ZINC000113448299 158147194 /nfs/dbraw/zinc/14/71/94/158147194.db2.gz ONXWDTWKJLCLRT-KGLIPLIRSA-N 1 2 307.398 0.552 10 0 DCAELO C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116892462 158168900 /nfs/dbraw/zinc/16/89/00/158168900.db2.gz XPBJLGINLHDZKL-FRRDWIJNSA-N 1 2 317.455 0.305 10 0 DCAELO C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116892462 158168903 /nfs/dbraw/zinc/16/89/03/158168903.db2.gz XPBJLGINLHDZKL-FRRDWIJNSA-N 1 2 317.455 0.305 10 0 DCAELO CCc1cnccc1C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000119108947 158182434 /nfs/dbraw/zinc/18/24/34/158182434.db2.gz VLHWSPNILDLCBS-AWEZNQCLSA-N 1 2 307.394 0.409 10 0 DCAELO CC[N@H+](C[C@@H](C)CS(C)(=O)=O)[C@@H](C)CS(=O)(=O)CC ZINC000119168979 158184013 /nfs/dbraw/zinc/18/40/13/158184013.db2.gz NAOSIVJDTTZRIJ-NEPJUHHUSA-N 1 2 313.485 0.812 10 0 DCAELO CC[N@@H+](C[C@@H](C)CS(C)(=O)=O)[C@@H](C)CS(=O)(=O)CC ZINC000119168979 158184016 /nfs/dbraw/zinc/18/40/16/158184016.db2.gz NAOSIVJDTTZRIJ-NEPJUHHUSA-N 1 2 313.485 0.812 10 0 DCAELO O=C(Nc1ccsc1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000125580331 158256061 /nfs/dbraw/zinc/25/60/61/158256061.db2.gz ZRBQZLPFLHEIPX-GFCCVEGCSA-N 1 2 309.391 0.620 10 0 DCAELO O=C(NCCCNc1cccc[nH+]1)NC[C@]1(CCO)CCOC1 ZINC000128396527 158281078 /nfs/dbraw/zinc/28/10/78/158281078.db2.gz AEJSGAZGNRKRHR-INIZCTEOSA-N 1 2 322.409 0.972 10 0 DCAELO COc1ccc(F)cc1C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000129014609 158284624 /nfs/dbraw/zinc/28/46/24/158284624.db2.gz VCORTURASMHXNW-GFCCVEGCSA-N 1 2 312.341 0.257 10 0 DCAELO COc1ccc2c(c1)C=C(C(=O)NC[C@H]1C[N@H+](C)CCO1)CO2 ZINC000130272591 158294258 /nfs/dbraw/zinc/29/42/58/158294258.db2.gz KJNRREDCCDKMCO-HNNXBMFYSA-N 1 2 318.373 0.918 10 0 DCAELO COc1ccc2c(c1)C=C(C(=O)NC[C@H]1C[N@@H+](C)CCO1)CO2 ZINC000130272591 158294259 /nfs/dbraw/zinc/29/42/59/158294259.db2.gz KJNRREDCCDKMCO-HNNXBMFYSA-N 1 2 318.373 0.918 10 0 DCAELO COC[C@H](O)CCNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000131800280 158305272 /nfs/dbraw/zinc/30/52/72/158305272.db2.gz IBFRIKRKJOMKIQ-CQSZACIVSA-N 1 2 322.409 0.747 10 0 DCAELO C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C(=O)N1CCCCC1 ZINC000132262784 158309286 /nfs/dbraw/zinc/30/92/86/158309286.db2.gz JDOSNZGORMNEQS-QWHCGFSZSA-N 1 2 304.394 0.963 10 0 DCAELO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccc2nccn2c1 ZINC000172249863 158392006 /nfs/dbraw/zinc/39/20/06/158392006.db2.gz UFZCXYXVLBUPET-CQSZACIVSA-N 1 2 300.362 0.927 10 0 DCAELO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1ccc2nccn2c1 ZINC000172249863 158392008 /nfs/dbraw/zinc/39/20/08/158392008.db2.gz UFZCXYXVLBUPET-CQSZACIVSA-N 1 2 300.362 0.927 10 0 DCAELO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000172360695 158393950 /nfs/dbraw/zinc/39/39/50/158393950.db2.gz SHEKZNASJCUOAU-LBPRGKRZSA-N 1 2 316.361 0.449 10 0 DCAELO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000172360695 158393953 /nfs/dbraw/zinc/39/39/53/158393953.db2.gz SHEKZNASJCUOAU-LBPRGKRZSA-N 1 2 316.361 0.449 10 0 DCAELO CC(C)NC(=O)CCCC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172752450 158398375 /nfs/dbraw/zinc/39/83/75/158398375.db2.gz DLSJCBLAEOTGBM-CQSZACIVSA-N 1 2 311.426 0.614 10 0 DCAELO CCn1cc([C@@H]2C[N@H+](C[C@H](O)CN3CCCC3=O)CCO2)cn1 ZINC000190827045 158563664 /nfs/dbraw/zinc/56/36/64/158563664.db2.gz IIWKLVCWYQLWML-GJZGRUSLSA-N 1 2 322.409 0.260 10 0 DCAELO CCn1cc([C@@H]2C[N@@H+](C[C@H](O)CN3CCCC3=O)CCO2)cn1 ZINC000190827045 158563666 /nfs/dbraw/zinc/56/36/66/158563666.db2.gz IIWKLVCWYQLWML-GJZGRUSLSA-N 1 2 322.409 0.260 10 0 DCAELO CC1(C)[C@H](NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)[C@@H]2CCO[C@H]21 ZINC000246947604 158674478 /nfs/dbraw/zinc/67/44/78/158674478.db2.gz KJEJNEJXLPHRSI-BYNSBNAKSA-N 1 2 323.437 0.916 10 0 DCAELO CO[C@H](C)c1noc(CN(C)C(=O)[C@H]2CC(F)(F)C[NH2+]2)n1 ZINC000263203973 158862509 /nfs/dbraw/zinc/86/25/09/158862509.db2.gz JLYNAROIZNKPQU-HTQZYQBOSA-N 1 2 304.297 0.733 10 0 DCAELO Cn1ncc2c1nc(N1CCC[C@@H]1C(=O)NC1CC1)[nH+]c2N ZINC000276501977 158943612 /nfs/dbraw/zinc/94/36/12/158943612.db2.gz RMPRGILXBSTYJD-SNVBAGLBSA-N 1 2 301.354 0.193 10 0 DCAELO O=C(CN1CN=NC1=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000328661713 159018514 /nfs/dbraw/zinc/01/85/14/159018514.db2.gz AJYAEGYHCTVJHC-LBPRGKRZSA-N 1 2 321.768 0.810 10 0 DCAELO CN1C(=O)CC[C@@H]1C(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000328665257 159018858 /nfs/dbraw/zinc/01/88/58/159018858.db2.gz ZASGKTALPMEJMR-ZIAGYGMSSA-N 1 2 305.353 0.919 10 0 DCAELO C[C@@H]1CN(C(=O)[C@@H]2CCc3n[nH]nc3C2)C[C@@H]1[NH+]1CCOCC1 ZINC000328766017 159028123 /nfs/dbraw/zinc/02/81/23/159028123.db2.gz GZXBKQNZAKNWGI-JMSVASOKSA-N 1 2 319.409 0.089 10 0 DCAELO C[C@H](CC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1)N1CCCCC1=O ZINC000328869262 159035993 /nfs/dbraw/zinc/03/59/93/159035993.db2.gz HNYCXUIJIIMOQU-ILXRZTDVSA-N 1 2 323.437 0.709 10 0 DCAELO C[C@H](CC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1)N1CCCCC1=O ZINC000328869262 159035995 /nfs/dbraw/zinc/03/59/95/159035995.db2.gz HNYCXUIJIIMOQU-ILXRZTDVSA-N 1 2 323.437 0.709 10 0 DCAELO CCc1cc(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)cc(=O)[nH]1 ZINC000328905142 159039792 /nfs/dbraw/zinc/03/97/92/159039792.db2.gz JWDKSDLEOOKJLN-ZIAGYGMSSA-N 1 2 305.378 0.895 10 0 DCAELO CCc1cc(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)cc(=O)[nH]1 ZINC000328905142 159039795 /nfs/dbraw/zinc/03/97/95/159039795.db2.gz JWDKSDLEOOKJLN-ZIAGYGMSSA-N 1 2 305.378 0.895 10 0 DCAELO Cc1cc(COCC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)on1 ZINC000328905462 159039802 /nfs/dbraw/zinc/03/98/02/159039802.db2.gz KAKPRLBUXJZLAT-UONOGXRCSA-N 1 2 309.366 0.431 10 0 DCAELO Cc1cc(COCC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)on1 ZINC000328905462 159039805 /nfs/dbraw/zinc/03/98/05/159039805.db2.gz KAKPRLBUXJZLAT-UONOGXRCSA-N 1 2 309.366 0.431 10 0 DCAELO O=C1NC2(CCOCC2)C(=O)N1[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000329193213 159072357 /nfs/dbraw/zinc/07/23/57/159072357.db2.gz TZVONPQQRTVLHH-LBPRGKRZSA-N 1 2 316.361 0.966 10 0 DCAELO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1cn(C(C)(C)C)nn1 ZINC000329582333 159104898 /nfs/dbraw/zinc/10/48/98/159104898.db2.gz QHTXFOVEBTZDSE-TZMCWYRMSA-N 1 2 321.425 0.968 10 0 DCAELO CCN1C[C@H](C(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)CC1=O ZINC000329721243 159114157 /nfs/dbraw/zinc/11/41/57/159114157.db2.gz NAHJBQXVIAUBRM-MGPQQGTHSA-N 1 2 309.410 0.176 10 0 DCAELO COCC1(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)CCOCC1 ZINC000329744514 159116546 /nfs/dbraw/zinc/11/65/46/159116546.db2.gz XUBLJMQMIZRAJI-KGLIPLIRSA-N 1 2 312.410 0.361 10 0 DCAELO COCC1(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)CCOCC1 ZINC000329744514 159116547 /nfs/dbraw/zinc/11/65/47/159116547.db2.gz XUBLJMQMIZRAJI-KGLIPLIRSA-N 1 2 312.410 0.361 10 0 DCAELO C[C@H](C(=O)N1CC[C@H](OCc2ccccn2)C1)[NH+]1CCOCC1 ZINC000330186611 159148872 /nfs/dbraw/zinc/14/88/72/159148872.db2.gz SEFGQMMLCZESCW-ZBFHGGJFSA-N 1 2 319.405 0.920 10 0 DCAELO C[C@@H](CNC(=O)C[C@@H]1CCCCC(=O)N1)[NH+]1CCN(C)CC1 ZINC000332736114 159211720 /nfs/dbraw/zinc/21/17/20/159211720.db2.gz WTEJLWDHMBSHMH-KBPBESRZSA-N 1 2 310.442 0.187 10 0 DCAELO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC(=O)NC(=O)NC3CC3)[C@H]2C1 ZINC000407993785 160005471 /nfs/dbraw/zinc/00/54/71/160005471.db2.gz UGTNLACXQWLCTG-AGIUHOORSA-N 1 2 311.382 0.243 10 0 DCAELO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC(=O)NC(=O)NC3CC3)[C@H]2C1 ZINC000407993785 160005473 /nfs/dbraw/zinc/00/54/73/160005473.db2.gz UGTNLACXQWLCTG-AGIUHOORSA-N 1 2 311.382 0.243 10 0 DCAELO COC(=O)C(C)(C)CNC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000408019739 160013447 /nfs/dbraw/zinc/01/34/47/160013447.db2.gz ANIXEPFBOCTPQZ-NWDGAFQWSA-N 1 2 313.398 0.300 10 0 DCAELO COC(=O)C(C)(C)CNC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000408019739 160013449 /nfs/dbraw/zinc/01/34/49/160013449.db2.gz ANIXEPFBOCTPQZ-NWDGAFQWSA-N 1 2 313.398 0.300 10 0 DCAELO C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000408020190 160013723 /nfs/dbraw/zinc/01/37/23/160013723.db2.gz BYLCDWNHHIUHDU-YNEHKIRRSA-N 1 2 311.426 0.469 10 0 DCAELO C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000408020190 160013724 /nfs/dbraw/zinc/01/37/24/160013724.db2.gz BYLCDWNHHIUHDU-YNEHKIRRSA-N 1 2 311.426 0.469 10 0 DCAELO CC1CCN(C(=O)C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000408031457 160017054 /nfs/dbraw/zinc/01/70/54/160017054.db2.gz UOVZLIDBLZICHS-UONOGXRCSA-N 1 2 309.410 0.176 10 0 DCAELO CC1CCN(C(=O)C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000408031457 160017056 /nfs/dbraw/zinc/01/70/56/160017056.db2.gz UOVZLIDBLZICHS-UONOGXRCSA-N 1 2 309.410 0.176 10 0 DCAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000408066221 160027606 /nfs/dbraw/zinc/02/76/06/160027606.db2.gz VYSCOWWFFYEKBR-RDBSUJKOSA-N 1 2 324.425 0.112 10 0 DCAELO CCCC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000408066221 160027607 /nfs/dbraw/zinc/02/76/07/160027607.db2.gz VYSCOWWFFYEKBR-RDBSUJKOSA-N 1 2 324.425 0.112 10 0 DCAELO CN(C)C(=O)C1(C(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000408159338 160049796 /nfs/dbraw/zinc/04/97/96/160049796.db2.gz PIMAQXWYRIREQD-LBPRGKRZSA-N 1 2 319.409 0.104 10 0 DCAELO C[C@H]1CCCN(C(=O)C[N@H+](C)C[C@H]2CCS(=O)(=O)C2)C1 ZINC000408215837 160061846 /nfs/dbraw/zinc/06/18/46/160061846.db2.gz ANXUIJGQRMBPAX-QWHCGFSZSA-N 1 2 302.440 0.611 10 0 DCAELO C[C@H]1CCCN(C(=O)C[N@@H+](C)C[C@H]2CCS(=O)(=O)C2)C1 ZINC000408215837 160061848 /nfs/dbraw/zinc/06/18/48/160061848.db2.gz ANXUIJGQRMBPAX-QWHCGFSZSA-N 1 2 302.440 0.611 10 0 DCAELO C[C@@H]1CCCCN1C(=O)C[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000408224910 160064025 /nfs/dbraw/zinc/06/40/25/160064025.db2.gz XXFSDOGQPDNWQR-OLZOCXBDSA-N 1 2 302.440 0.754 10 0 DCAELO C[C@@H]1CCCCN1C(=O)C[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000408224910 160064028 /nfs/dbraw/zinc/06/40/28/160064028.db2.gz XXFSDOGQPDNWQR-OLZOCXBDSA-N 1 2 302.440 0.754 10 0 DCAELO Cn1ccnc1C[NH+]1CCC(C(=O)N2C[C@H](O)C(C)(C)C2)CC1 ZINC000408267047 160072913 /nfs/dbraw/zinc/07/29/13/160072913.db2.gz WMLNUNRXINYRJY-AWEZNQCLSA-N 1 2 320.437 0.861 10 0 DCAELO Cc1nnsc1C(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000408281428 160075771 /nfs/dbraw/zinc/07/57/71/160075771.db2.gz OMVLPBITLYNCNI-JTQLQIEISA-N 1 2 306.395 0.709 10 0 DCAELO Cc1cc(=O)[nH]cc1C(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000408392135 160099243 /nfs/dbraw/zinc/09/92/43/160099243.db2.gz FYBJUULDRWYSNX-ZDUSSCGKSA-N 1 2 315.377 0.958 10 0 DCAELO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2cncc(F)c2)C[C@H]1C ZINC000408431958 160106946 /nfs/dbraw/zinc/10/69/46/160106946.db2.gz CODJCXZUSQTGAU-GHMZBOCLSA-N 1 2 317.386 0.296 10 0 DCAELO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2cncc(F)c2)C[C@H]1C ZINC000408431958 160106948 /nfs/dbraw/zinc/10/69/48/160106948.db2.gz CODJCXZUSQTGAU-GHMZBOCLSA-N 1 2 317.386 0.296 10 0 DCAELO Cc1ccncc1S(=O)(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000408460714 160113551 /nfs/dbraw/zinc/11/35/51/160113551.db2.gz QOMPORMKAMTZHF-STQMWFEESA-N 1 2 313.423 0.466 10 0 DCAELO Cc1ccncc1S(=O)(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000408460714 160113552 /nfs/dbraw/zinc/11/35/52/160113552.db2.gz QOMPORMKAMTZHF-STQMWFEESA-N 1 2 313.423 0.466 10 0 DCAELO CCCn1nccc1NC(=O)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000151160380 287032488 /nfs/dbraw/zinc/03/24/88/287032488.db2.gz BCPHHJXIRBPUPG-GFCCVEGCSA-N 1 2 323.397 0.069 10 0 DCAELO CN(C)c1nnc(SC[C@@H](O)C[NH+]2CCOCC2)s1 ZINC000181150498 287056236 /nfs/dbraw/zinc/05/62/36/287056236.db2.gz LDMHARQJNALGAS-VIFPVBQESA-N 1 2 304.441 0.389 10 0 DCAELO COCC[N@@H+]1CCN(S(=O)(=O)C[C@H]2CCCCO2)C[C@@H]1C ZINC000246984313 287089948 /nfs/dbraw/zinc/08/99/48/287089948.db2.gz FQTDGDJIAPPBOP-UONOGXRCSA-N 1 2 320.455 0.538 10 0 DCAELO COCC[N@H+]1CCN(S(=O)(=O)C[C@H]2CCCCO2)C[C@@H]1C ZINC000246984313 287089953 /nfs/dbraw/zinc/08/99/53/287089953.db2.gz FQTDGDJIAPPBOP-UONOGXRCSA-N 1 2 320.455 0.538 10 0 DCAELO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)N2CCC(C)CC2)C[C@H]1C ZINC000408433144 287096230 /nfs/dbraw/zinc/09/62/30/287096230.db2.gz KSBGUAZYKAPADZ-ZIAGYGMSSA-N 1 2 319.471 0.350 10 0 DCAELO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)N2CCC(C)CC2)C[C@H]1C ZINC000408433144 287096231 /nfs/dbraw/zinc/09/62/31/287096231.db2.gz KSBGUAZYKAPADZ-ZIAGYGMSSA-N 1 2 319.471 0.350 10 0 DCAELO CCCC[N@H+](CC(N)=O)CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000052704495 415317239 /nfs/dbraw/zinc/31/72/39/415317239.db2.gz NMIFUYBPFLFFEP-KBPBESRZSA-N 1 2 311.426 0.744 10 0 DCAELO CCCC[N@@H+](CC(N)=O)CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000052704495 415317244 /nfs/dbraw/zinc/31/72/44/415317244.db2.gz NMIFUYBPFLFFEP-KBPBESRZSA-N 1 2 311.426 0.744 10 0 DCAELO CCS(=O)(=O)N(C)C1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000066880694 415367759 /nfs/dbraw/zinc/36/77/59/415367759.db2.gz AXYODGFLZJGWEA-UHFFFAOYSA-N 1 2 319.471 0.647 10 0 DCAELO C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)[C@H]2CCCCC(=O)N2)C1 ZINC000333294332 415603481 /nfs/dbraw/zinc/60/34/81/415603481.db2.gz KZVDJLWIZNRDTL-HUUCEWRRSA-N 1 2 323.437 0.614 10 0 DCAELO C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)[C@H]2CCCCC(=O)N2)C1 ZINC000333294332 415603487 /nfs/dbraw/zinc/60/34/87/415603487.db2.gz KZVDJLWIZNRDTL-HUUCEWRRSA-N 1 2 323.437 0.614 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc4oc(=O)[nH]c4c3)C[C@@H]21 ZINC000286885529 415642261 /nfs/dbraw/zinc/64/22/61/415642261.db2.gz DOMXTVLXWQOFQL-GXTWGEPZSA-N 1 2 317.345 0.666 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc4oc(=O)[nH]c4c3)C[C@@H]21 ZINC000286885529 415642264 /nfs/dbraw/zinc/64/22/64/415642264.db2.gz DOMXTVLXWQOFQL-GXTWGEPZSA-N 1 2 317.345 0.666 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)[C@@H](C)C1 ZINC000333161819 415576811 /nfs/dbraw/zinc/57/68/11/415576811.db2.gz MAHBZSKTLCJBRX-RMEBNNNOSA-N 1 2 316.467 0.892 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)[C@@H](C)C1 ZINC000333161819 415576817 /nfs/dbraw/zinc/57/68/17/415576817.db2.gz MAHBZSKTLCJBRX-RMEBNNNOSA-N 1 2 316.467 0.892 10 0 DCAELO CC(C)[C@@H]1C(=O)NCCN1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000114927103 415725565 /nfs/dbraw/zinc/72/55/65/415725565.db2.gz CWWREMUYTGSGBR-CYBMUJFWSA-N 1 2 319.409 0.814 10 0 DCAELO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116887736 415732802 /nfs/dbraw/zinc/73/28/02/415732802.db2.gz GHBORPCVBITATO-UPJWGTAASA-N 1 2 317.455 0.399 10 0 DCAELO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116887736 415732808 /nfs/dbraw/zinc/73/28/08/415732808.db2.gz GHBORPCVBITATO-UPJWGTAASA-N 1 2 317.455 0.399 10 0 DCAELO CO[C@@H](C(=O)NC[C@@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC000120407576 415766828 /nfs/dbraw/zinc/76/68/28/415766828.db2.gz FUGWNUZXQQTGFS-HUUCEWRRSA-N 1 2 308.378 0.183 10 0 DCAELO CO[C@@H](C(=O)NC[C@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC000120407281 415767672 /nfs/dbraw/zinc/76/76/72/415767672.db2.gz FUGWNUZXQQTGFS-LSDHHAIUSA-N 1 2 308.378 0.183 10 0 DCAELO CC(=O)[C@H](C)CCCCC(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000344655192 415966168 /nfs/dbraw/zinc/96/61/68/415966168.db2.gz KGGCYSMUMYXJDD-CYBMUJFWSA-N 1 2 311.426 0.710 10 0 DCAELO CC(=O)[C@H](C)CCCCC(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000344655192 415966172 /nfs/dbraw/zinc/96/61/72/415966172.db2.gz KGGCYSMUMYXJDD-CYBMUJFWSA-N 1 2 311.426 0.710 10 0 DCAELO C[C@@H](NC(=O)C[NH+]1CCN(c2ccccn2)CC1)[C@@H]1CCCO1 ZINC000155031382 415993452 /nfs/dbraw/zinc/99/34/52/415993452.db2.gz LYLXOQMUEWNYHP-CABCVRRESA-N 1 2 318.421 0.887 10 0 DCAELO C[C@@H](C(=O)NC[C@@H](O)C[NH+]1CCOCC1)c1cccc(F)c1 ZINC000132763502 415936525 /nfs/dbraw/zinc/93/65/25/415936525.db2.gz MGEHXTPDYAKMSY-IUODEOHRSA-N 1 2 310.369 0.739 10 0 DCAELO CC(C)[C@@H](C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)N1CCCC1=O ZINC000172746690 416047202 /nfs/dbraw/zinc/04/72/02/416047202.db2.gz OCRKZTQQSRIFHS-HOCLYGCPSA-N 1 2 323.437 0.567 10 0 DCAELO Cc1nsc(N2CCC[N@@H+]([C@@H]3CC(=O)N(C)C3=O)CC2)n1 ZINC000172950706 416050308 /nfs/dbraw/zinc/05/03/08/416050308.db2.gz FQUJPHKBHKFKBH-SNVBAGLBSA-N 1 2 309.395 0.116 10 0 DCAELO Cc1nsc(N2CCC[N@H+]([C@@H]3CC(=O)N(C)C3=O)CC2)n1 ZINC000172950706 416050311 /nfs/dbraw/zinc/05/03/11/416050311.db2.gz FQUJPHKBHKFKBH-SNVBAGLBSA-N 1 2 309.395 0.116 10 0 DCAELO CN(C)c1[nH+]cccc1CNS(=O)(=O)CC1CCOCC1 ZINC000173029157 416051052 /nfs/dbraw/zinc/05/10/52/416051052.db2.gz WIPKAUZPQCVYKV-UHFFFAOYSA-N 1 2 313.423 0.994 10 0 DCAELO C[C@@H]1CN(C(=O)[C@H](O)c2ccccc2)C[C@H]1[NH+]1CCOCC1 ZINC000173417314 416058173 /nfs/dbraw/zinc/05/81/73/416058173.db2.gz LOPNWQOTPYRGQT-FVQBIDKESA-N 1 2 304.390 0.899 10 0 DCAELO CC[C@H](CO)NC(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000173424260 416058743 /nfs/dbraw/zinc/05/87/43/416058743.db2.gz GNUJZAYTYYHTMP-NEPJUHHUSA-N 1 2 322.413 0.557 10 0 DCAELO CC[C@H](CO)NC(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000173424260 416058746 /nfs/dbraw/zinc/05/87/46/416058746.db2.gz GNUJZAYTYYHTMP-NEPJUHHUSA-N 1 2 322.413 0.557 10 0 DCAELO Cn1cc(CCCNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cn1 ZINC000173800273 416065875 /nfs/dbraw/zinc/06/58/75/416065875.db2.gz LGPWJNLGXBUAMO-HNNXBMFYSA-N 1 2 321.425 0.469 10 0 DCAELO CCc1cnc(CCNC(=O)NC[C@H]2C[N@H+](C)CCO2)s1 ZINC000174163363 416074212 /nfs/dbraw/zinc/07/42/12/416074212.db2.gz HFSZBHHPFWINQX-NSHDSACASA-N 1 2 312.439 0.878 10 0 DCAELO CCc1cnc(CCNC(=O)NC[C@H]2C[N@@H+](C)CCO2)s1 ZINC000174163363 416074216 /nfs/dbraw/zinc/07/42/16/416074216.db2.gz HFSZBHHPFWINQX-NSHDSACASA-N 1 2 312.439 0.878 10 0 DCAELO Cc1cc(N2CCN(Cc3[nH+]ccn3C)CC2)n2ncnc2n1 ZINC000301074540 416074728 /nfs/dbraw/zinc/07/47/28/416074728.db2.gz CGUJDMUJTQBZLO-UHFFFAOYSA-N 1 2 312.381 0.488 10 0 DCAELO CC(C)Cn1cc[nH+]c1CNC(=O)CNC(=O)c1cccnc1 ZINC000158864314 416003529 /nfs/dbraw/zinc/00/35/29/416003529.db2.gz SIMSPWUFIOMYIQ-UHFFFAOYSA-N 1 2 315.377 0.980 10 0 DCAELO Cn1cc([C@@]2(C)C[N@@H+]([C@@H]3CCN(C4CC4)C3=O)CCO2)cn1 ZINC000159067035 416008150 /nfs/dbraw/zinc/00/81/50/416008150.db2.gz WRKDVZOEUFYLDQ-GDBMZVCRSA-N 1 2 304.394 0.731 10 0 DCAELO Cn1cc([C@@]2(C)C[N@H+]([C@@H]3CCN(C4CC4)C3=O)CCO2)cn1 ZINC000159067035 416008153 /nfs/dbraw/zinc/00/81/53/416008153.db2.gz WRKDVZOEUFYLDQ-GDBMZVCRSA-N 1 2 304.394 0.731 10 0 DCAELO CN(Cc1ccco1)C(=O)C[NH+]1CCN(c2cccnn2)CC1 ZINC000171351120 416038124 /nfs/dbraw/zinc/03/81/24/416038124.db2.gz YEFUKTXUBBDMGY-UHFFFAOYSA-N 1 2 315.377 0.850 10 0 DCAELO C[C@@H](C(=O)N1CCCC1)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000174790312 416087585 /nfs/dbraw/zinc/08/75/85/416087585.db2.gz JEXVZDBAHCDGSZ-GJZGRUSLSA-N 1 2 322.453 0.284 10 0 DCAELO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN([C@H]2CCCCNC2=O)CC1 ZINC000174790312 416087589 /nfs/dbraw/zinc/08/75/89/416087589.db2.gz JEXVZDBAHCDGSZ-GJZGRUSLSA-N 1 2 322.453 0.284 10 0 DCAELO CCCNC(=O)C1CCN(c2nc3c(cnn3C)c(N)[nH+]2)CC1 ZINC000302828965 416101451 /nfs/dbraw/zinc/10/14/51/416101451.db2.gz JIWPBPZEVLDJAN-UHFFFAOYSA-N 1 2 317.397 0.688 10 0 DCAELO CN1CCN(C(=O)c2ccc3n[nH]nc3c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000328616807 416123790 /nfs/dbraw/zinc/12/37/90/416123790.db2.gz CBRXLJMRMLMTJD-ZDUSSCGKSA-N 1 2 311.349 0.810 10 0 DCAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1ccc(O)c(Cl)c1 ZINC000176439316 416126201 /nfs/dbraw/zinc/12/62/01/416126201.db2.gz ITDKNJNZTFGVAA-LLVKDONJSA-N 1 2 314.769 0.469 10 0 DCAELO CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000328868452 416136113 /nfs/dbraw/zinc/13/61/13/416136113.db2.gz HGPRVGDCJWEHRE-QLFBSQMISA-N 1 2 323.437 0.565 10 0 DCAELO CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000328868452 416136115 /nfs/dbraw/zinc/13/61/15/416136115.db2.gz HGPRVGDCJWEHRE-QLFBSQMISA-N 1 2 323.437 0.565 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3ccc(C4CC4)nn3)C[C@H]21 ZINC000328931360 416138679 /nfs/dbraw/zinc/13/86/79/416138679.db2.gz BDIFZXBUWYXFKM-ZIAGYGMSSA-N 1 2 317.393 1.291 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3ccc(C4CC4)nn3)C[C@H]21 ZINC000328931360 416138682 /nfs/dbraw/zinc/13/86/82/416138682.db2.gz BDIFZXBUWYXFKM-ZIAGYGMSSA-N 1 2 317.393 1.291 10 0 DCAELO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1cc(F)c(F)c(F)c1F ZINC000178726136 416170759 /nfs/dbraw/zinc/17/07/59/416170759.db2.gz AJZMLRKGEMTARI-MRVPVSSYSA-N 1 2 317.286 0.973 10 0 DCAELO CC(C)(C)OC(=O)NC1(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)CC1 ZINC000178718332 416171178 /nfs/dbraw/zinc/17/11/78/416171178.db2.gz RJTGUQSPBKVIOB-GFCCVEGCSA-N 1 2 324.425 0.160 10 0 DCAELO O=C(NC[C@H]1C[NH+]2CCN1CC2)C(=O)Nc1cc(F)cc(F)c1 ZINC000178957123 416179206 /nfs/dbraw/zinc/17/92/06/416179206.db2.gz MHXAYSNBTKNMLA-ZDUSSCGKSA-N 1 2 324.331 0.019 10 0 DCAELO Cc1cc(C)cc(NC(=O)C(=O)NC[C@H]2C[NH+]3CCN2CC3)c1 ZINC000178957449 416179674 /nfs/dbraw/zinc/17/96/74/416179674.db2.gz UYESAKXADFSENR-HNNXBMFYSA-N 1 2 316.405 0.358 10 0 DCAELO Cc1cc(F)cc(NC(=O)C(=O)NC[C@@H]2C[NH+]3CCN2CC3)c1 ZINC000178966245 416179908 /nfs/dbraw/zinc/17/99/08/416179908.db2.gz SPFDPENRKVEOAJ-CQSZACIVSA-N 1 2 320.368 0.189 10 0 DCAELO CC(=O)N1CCCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000329777577 416190907 /nfs/dbraw/zinc/19/09/07/416190907.db2.gz PEZURDKSPURKAC-BMFZPTHFSA-N 1 2 323.437 0.709 10 0 DCAELO CC(C)OCCS(=O)(=O)N1CC[NH2+]C[C@H]1c1cnn(C)c1 ZINC000181688459 416209648 /nfs/dbraw/zinc/20/96/48/416209648.db2.gz QVCJGSIEJQRNEB-ZDUSSCGKSA-N 1 2 316.427 0.121 10 0 DCAELO O=C(/C=C/c1cncc(O)c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000182055128 416213159 /nfs/dbraw/zinc/21/31/59/416213159.db2.gz QYOXQUPXKBPJAB-YUKKFKLSSA-N 1 2 303.362 0.734 10 0 DCAELO CSCC[NH+]1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000178504169 416164059 /nfs/dbraw/zinc/16/40/59/416164059.db2.gz XUQFZGANJCCBNG-UHFFFAOYSA-N 1 2 301.437 0.751 10 0 DCAELO C[N@@H+](CC(N)=O)C[C@H]1CN(C/C=C\c2ccccc2)CCO1 ZINC000341793566 416235688 /nfs/dbraw/zinc/23/56/88/416235688.db2.gz SSJBFFYXIHRKCQ-SBSDFTTDSA-N 1 2 303.406 0.818 10 0 DCAELO C[N@H+](CC(N)=O)C[C@H]1CN(C/C=C\c2ccccc2)CCO1 ZINC000341793566 416235692 /nfs/dbraw/zinc/23/56/92/416235692.db2.gz SSJBFFYXIHRKCQ-SBSDFTTDSA-N 1 2 303.406 0.818 10 0 DCAELO CN(CC(N)=O)C[C@H]1C[N@H+](C/C=C\c2ccccc2)CCO1 ZINC000341793566 416235694 /nfs/dbraw/zinc/23/56/94/416235694.db2.gz SSJBFFYXIHRKCQ-SBSDFTTDSA-N 1 2 303.406 0.818 10 0 DCAELO CN(CC(N)=O)C[C@H]1C[N@@H+](C/C=C\c2ccccc2)CCO1 ZINC000341793566 416235697 /nfs/dbraw/zinc/23/56/97/416235697.db2.gz SSJBFFYXIHRKCQ-SBSDFTTDSA-N 1 2 303.406 0.818 10 0 DCAELO CC(=O)c1cc(C(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)n(C)c1 ZINC000416288261 416363639 /nfs/dbraw/zinc/36/36/39/416363639.db2.gz DAVHAMBWRJQZKF-NWDGAFQWSA-N 1 2 307.394 0.755 10 0 DCAELO CC(=O)c1cc(C(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)n(C)c1 ZINC000416288261 416363641 /nfs/dbraw/zinc/36/36/41/416363641.db2.gz DAVHAMBWRJQZKF-NWDGAFQWSA-N 1 2 307.394 0.755 10 0 DCAELO CN1CN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1=O ZINC000360491728 416393275 /nfs/dbraw/zinc/39/32/75/416393275.db2.gz OFKKJJLJQFXZFV-UHFFFAOYSA-N 1 2 322.434 0.124 10 0 DCAELO C[C@@H]1CN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC(=O)N1C ZINC000368521608 416664841 /nfs/dbraw/zinc/66/48/41/416664841.db2.gz HEKLVUJKSYMAPA-CHWSQXEVSA-N 1 2 317.393 0.532 10 0 DCAELO O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000557383053 416732533 /nfs/dbraw/zinc/73/25/33/416732533.db2.gz LVZLRQRMJPJDQK-LLVKDONJSA-N 1 2 324.344 0.670 10 0 DCAELO O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000557385179 416733155 /nfs/dbraw/zinc/73/31/55/416733155.db2.gz ZUHYMSNIYMQXCO-NSHDSACASA-N 1 2 324.344 0.670 10 0 DCAELO CCO[C@@H]1C[C@]([NH2+]CCN2CCOCC2)(C(=O)OC)C1(C)C ZINC000444749486 416863101 /nfs/dbraw/zinc/86/31/01/416863101.db2.gz WGYCDPQUQPLGHP-CJNGLKHVSA-N 1 2 314.426 0.655 10 0 DCAELO CCO[C@@H]1C[C@@]([NH2+]CCC(=O)N(C)C)(C(=O)OC)C1(C)C ZINC000444762171 416868451 /nfs/dbraw/zinc/86/84/51/416868451.db2.gz YTOUJWXAWQDNQX-IAQYHMDHSA-N 1 2 300.399 0.801 10 0 DCAELO O=C(N[C@H]1CCc2c[nH]nc2C1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000374567846 416982573 /nfs/dbraw/zinc/98/25/73/416982573.db2.gz GDSHPVMEGWSFEO-KBPBESRZSA-N 1 2 319.409 0.383 10 0 DCAELO Cn1cc(O[C@@H]2CN(c3cc(NC4CC4)[nH+]cn3)C[C@H]2O)cn1 ZINC000624424222 417039793 /nfs/dbraw/zinc/03/97/93/417039793.db2.gz OXSKCPRWRCJIEW-CHWSQXEVSA-N 1 2 316.365 0.413 10 0 DCAELO Cn1cc(O[C@@H]2CN(c3cc(NC4CC4)nc[nH+]3)C[C@H]2O)cn1 ZINC000624424222 417039802 /nfs/dbraw/zinc/03/98/02/417039802.db2.gz OXSKCPRWRCJIEW-CHWSQXEVSA-N 1 2 316.365 0.413 10 0 DCAELO CC(=O)N[C@H]1C[N@H+](CCNC(=O)OC(C)(C)C)CCCO1 ZINC000616598918 417084802 /nfs/dbraw/zinc/08/48/02/417084802.db2.gz VHOZMGXOGQKBAK-GFCCVEGCSA-N 1 2 301.387 0.696 10 0 DCAELO CC(=O)N[C@H]1C[N@@H+](CCNC(=O)OC(C)(C)C)CCCO1 ZINC000616598918 417084814 /nfs/dbraw/zinc/08/48/14/417084814.db2.gz VHOZMGXOGQKBAK-GFCCVEGCSA-N 1 2 301.387 0.696 10 0 DCAELO CCOC(=O)c1cccc([C@@H]2CN(S(C)(=O)=O)CC[NH2+]2)c1 ZINC000616635071 417087745 /nfs/dbraw/zinc/08/77/45/417087745.db2.gz KXMLXNQYWGWTGC-ZDUSSCGKSA-N 1 2 312.391 0.769 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)c2nscc2Br)C1 ZINC000404846928 417120546 /nfs/dbraw/zinc/12/05/46/417120546.db2.gz DXTMEWOIVMFPEK-SSDOTTSWSA-N 1 2 320.212 0.966 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)c2nscc2Br)C1 ZINC000404846928 417120548 /nfs/dbraw/zinc/12/05/48/417120548.db2.gz DXTMEWOIVMFPEK-SSDOTTSWSA-N 1 2 320.212 0.966 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCO[C@H](C(N)=O)C1)C2 ZINC000527240619 417227138 /nfs/dbraw/zinc/22/71/38/417227138.db2.gz QELWEMLRTLYGJP-MFKMUULPSA-N 1 2 320.393 0.351 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCO[C@H](C(N)=O)C1)CC2 ZINC000527240619 417227141 /nfs/dbraw/zinc/22/71/41/417227141.db2.gz QELWEMLRTLYGJP-MFKMUULPSA-N 1 2 320.393 0.351 10 0 DCAELO Cc1nc(S(=O)(=O)N2CC[NH+](CC[C@H](C)O)CC2)cs1 ZINC000450548814 417235767 /nfs/dbraw/zinc/23/57/67/417235767.db2.gz AEJFHMHMQJUFEA-JTQLQIEISA-N 1 2 319.452 0.529 10 0 DCAELO CCOC(=O)[C@H]1C[N@H+](Cc2nnc(C(C)C)[nH]2)CC12COC2 ZINC000451129617 417301815 /nfs/dbraw/zinc/30/18/15/417301815.db2.gz DEIFQZRBVVVCAJ-LLVKDONJSA-N 1 2 308.382 0.940 10 0 DCAELO CCOC(=O)[C@H]1C[N@@H+](Cc2nnc(C(C)C)[nH]2)CC12COC2 ZINC000451129617 417301822 /nfs/dbraw/zinc/30/18/22/417301822.db2.gz DEIFQZRBVVVCAJ-LLVKDONJSA-N 1 2 308.382 0.940 10 0 DCAELO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1cccc2ncnn21 ZINC000570666933 417378713 /nfs/dbraw/zinc/37/87/13/417378713.db2.gz OKAISHCNEKWCEV-GFCCVEGCSA-N 1 2 303.366 0.522 10 0 DCAELO CCOC(=O)[C@@H]1CN(C(=O)NCc2[nH+]ccn2C)CC12COC2 ZINC000454524143 417566328 /nfs/dbraw/zinc/56/63/28/417566328.db2.gz HXXSDNUJCGDPBO-NSHDSACASA-N 1 2 322.365 0.141 10 0 DCAELO O=C(NCc1ccccc1C[NH+]1CCOCC1)[C@@H]1CNC(=O)C1 ZINC000194859725 261148900 /nfs/dbraw/zinc/14/89/00/261148900.db2.gz QDVSCNZDZLAJFW-HNNXBMFYSA-N 1 2 317.389 0.271 10 0 DCAELO C[C@H]1CCOCCN1S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000363801126 262131388 /nfs/dbraw/zinc/13/13/88/262131388.db2.gz AQOYHKZFCCTJSZ-ZDUSSCGKSA-N 1 2 306.428 0.149 10 0 DCAELO CC(=O)c1ncc(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)s1 ZINC000412378573 262187669 /nfs/dbraw/zinc/18/76/69/262187669.db2.gz UOTUFBMGDVVERC-LLVKDONJSA-N 1 2 311.407 0.922 10 0 DCAELO CC(=O)c1ncc(C(=O)NC[C@H]2CCCC[N@H+]2CCO)s1 ZINC000412378573 262187671 /nfs/dbraw/zinc/18/76/71/262187671.db2.gz UOTUFBMGDVVERC-LLVKDONJSA-N 1 2 311.407 0.922 10 0 DCAELO CC(C)OCCS(=O)(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000176996017 270951279 /nfs/dbraw/zinc/95/12/79/270951279.db2.gz WSRRWTULHJAHDE-KBPBESRZSA-N 1 2 320.455 0.394 10 0 DCAELO COC(=O)[C@H](C1CC1)[NH+]1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000359612396 271131934 /nfs/dbraw/zinc/13/19/34/271131934.db2.gz ROTUXHCSHZXPME-HNNXBMFYSA-N 1 2 317.389 0.859 10 0 DCAELO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cc(C(F)(F)F)[nH]n3)[C@H]2C1 ZINC000329155541 277151991 /nfs/dbraw/zinc/15/19/91/277151991.db2.gz BQRUMBCGSAPOEZ-UWVGGRQHSA-N 1 2 318.299 0.974 10 0 DCAELO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3cc(C(F)(F)F)[nH]n3)[C@H]2C1 ZINC000329155541 277151992 /nfs/dbraw/zinc/15/19/92/277151992.db2.gz BQRUMBCGSAPOEZ-UWVGGRQHSA-N 1 2 318.299 0.974 10 0 DCAELO CC(=O)N1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000329710106 278021975 /nfs/dbraw/zinc/02/19/75/278021975.db2.gz NMGLDTRHVMOLMH-HOTGVXAUSA-N 1 2 323.437 0.711 10 0 DCAELO Cn1c[nH+]cc1CCNC(=O)C(=O)c1cnn(C(C)(C)C)c1 ZINC000547804299 288081046 /nfs/dbraw/zinc/08/10/46/288081046.db2.gz DUMHRKPXQKCOBF-UHFFFAOYSA-N 1 2 303.366 0.913 10 0 DCAELO Cc1cn2c([nH+]1)CN(C(=O)[C@H]1CC(=O)N(c3cn[nH]c3)C1)CC2 ZINC000371737425 279002998 /nfs/dbraw/zinc/00/29/98/279002998.db2.gz UHCTVCNVROQUMU-NSHDSACASA-N 1 2 314.349 0.310 10 0 DCAELO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000151305218 279311911 /nfs/dbraw/zinc/31/19/11/279311911.db2.gz ZNZOYEUSRRWTNN-OAGGEKHMSA-N 1 2 324.469 0.833 10 0 DCAELO CCN(CCOCCO)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000554588759 288331435 /nfs/dbraw/zinc/33/14/35/288331435.db2.gz CNMUEZDOPVDVTF-UHFFFAOYSA-N 1 2 320.349 0.130 10 0 DCAELO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)[C@H]2CCCCC(=O)N2)C1 ZINC000333294333 290107267 /nfs/dbraw/zinc/10/72/67/290107267.db2.gz KZVDJLWIZNRDTL-LSDHHAIUSA-N 1 2 323.437 0.614 10 0 DCAELO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)[C@H]2CCCCC(=O)N2)C1 ZINC000333294333 290107269 /nfs/dbraw/zinc/10/72/69/290107269.db2.gz KZVDJLWIZNRDTL-LSDHHAIUSA-N 1 2 323.437 0.614 10 0 DCAELO C[C@H](c1nnnn1C)[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000189136327 290287543 /nfs/dbraw/zinc/28/75/43/290287543.db2.gz IMXSDROBYTWUPI-VXGBXAGGSA-N 1 2 302.386 0.662 10 0 DCAELO C[C@H](c1nnnn1C)[N@@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000189136327 290287547 /nfs/dbraw/zinc/28/75/47/290287547.db2.gz IMXSDROBYTWUPI-VXGBXAGGSA-N 1 2 302.386 0.662 10 0 DCAELO Cn1cc(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)c2ccccc21 ZINC000176443279 294219631 /nfs/dbraw/zinc/21/96/31/294219631.db2.gz SOFJXGDNWFWVIR-CYBMUJFWSA-N 1 2 317.389 0.601 10 0 DCAELO Cn1cnc2c1nccc2C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000287191851 303023743 /nfs/dbraw/zinc/02/37/43/303023743.db2.gz UJEWGWQUILIDSG-QWHCGFSZSA-N 1 2 315.377 0.513 10 0 DCAELO Cn1cnc2c1nccc2C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000287191851 303023744 /nfs/dbraw/zinc/02/37/44/303023744.db2.gz UJEWGWQUILIDSG-QWHCGFSZSA-N 1 2 315.377 0.513 10 0 DCAELO O=C(NCC1CCSCC1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000582980971 337222519 /nfs/dbraw/zinc/22/25/19/337222519.db2.gz QMHNVQPBUTZATF-UHFFFAOYSA-N 1 2 311.451 0.552 10 0 DCAELO O=C(NCc1ccn2cc[nH+]c2c1)NC[C@@]1(CCO)CCOC1 ZINC000177789756 341938044 /nfs/dbraw/zinc/93/80/44/341938044.db2.gz WLNLXIWWCXKSJC-MRXNPFEDSA-N 1 2 318.377 0.923 10 0 DCAELO CC(C)N1CC[C@@H]([N@@H+]2CCO[C@@](C)(c3cnn(C)c3)C2)C1=O ZINC000159312427 519686714 /nfs/dbraw/zinc/68/67/14/519686714.db2.gz PHDKYLOCBJDODT-GDBMZVCRSA-N 1 2 306.410 0.977 10 0 DCAELO CC(C)N1CC[C@@H]([N@H+]2CCO[C@@](C)(c3cnn(C)c3)C2)C1=O ZINC000159312427 519686717 /nfs/dbraw/zinc/68/67/17/519686717.db2.gz PHDKYLOCBJDODT-GDBMZVCRSA-N 1 2 306.410 0.977 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)NCCc2ccc(Cl)nc2)C1 ZINC000158967225 523949013 /nfs/dbraw/zinc/94/90/13/523949013.db2.gz KBDXPBCRGBSZCT-GFCCVEGCSA-N 1 2 312.801 0.907 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)NCCc2ccc(Cl)nc2)C1 ZINC000158967225 523949019 /nfs/dbraw/zinc/94/90/19/523949019.db2.gz KBDXPBCRGBSZCT-GFCCVEGCSA-N 1 2 312.801 0.907 10 0 DCAELO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](CCN2CCOC[C@H]2C)C1 ZINC000249512894 524020840 /nfs/dbraw/zinc/02/08/40/524020840.db2.gz INJUKTOCNRQAPU-KWCYVHTRSA-N 1 2 310.398 0.861 10 0 DCAELO CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](CCN2CCOC[C@H]2C)C1 ZINC000249512894 524020842 /nfs/dbraw/zinc/02/08/42/524020842.db2.gz INJUKTOCNRQAPU-KWCYVHTRSA-N 1 2 310.398 0.861 10 0 DCAELO CO[C@H]1C[C@H](c2nc(C)no2)N(CC[N@@H+]2CCOC[C@H]2C)C1 ZINC000249512894 524020845 /nfs/dbraw/zinc/02/08/45/524020845.db2.gz INJUKTOCNRQAPU-KWCYVHTRSA-N 1 2 310.398 0.861 10 0 DCAELO CO[C@H]1C[C@H](c2nc(C)no2)N(CC[N@H+]2CCOC[C@H]2C)C1 ZINC000249512894 524020849 /nfs/dbraw/zinc/02/08/49/524020849.db2.gz INJUKTOCNRQAPU-KWCYVHTRSA-N 1 2 310.398 0.861 10 0 DCAELO Cc1cnn(CCNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)c1 ZINC000189047095 526262879 /nfs/dbraw/zinc/26/28/79/526262879.db2.gz TUZHTUDEKJAANJ-HNNXBMFYSA-N 1 2 306.410 0.951 10 0 DCAELO Cc1cnn(CCNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)c1 ZINC000189047095 526262880 /nfs/dbraw/zinc/26/28/80/526262880.db2.gz TUZHTUDEKJAANJ-HNNXBMFYSA-N 1 2 306.410 0.951 10 0 DCAELO NC(=O)NC(=O)C[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000157673172 526925863 /nfs/dbraw/zinc/92/58/63/526925863.db2.gz ZVEHRZCECAKPMS-LLVKDONJSA-N 1 2 307.325 0.915 10 0 DCAELO NC(=O)NC(=O)C[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000157673172 526925872 /nfs/dbraw/zinc/92/58/72/526925872.db2.gz ZVEHRZCECAKPMS-LLVKDONJSA-N 1 2 307.325 0.915 10 0 DCAELO O=C1CCC(=O)N1CC[N@H+]1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000159294872 526962788 /nfs/dbraw/zinc/96/27/88/526962788.db2.gz OALQJLONTYFWIG-CHWSQXEVSA-N 1 2 322.361 0.553 10 0 DCAELO O=C1CCC(=O)N1CC[N@@H+]1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000159294872 526962802 /nfs/dbraw/zinc/96/28/02/526962802.db2.gz OALQJLONTYFWIG-CHWSQXEVSA-N 1 2 322.361 0.553 10 0 DCAELO CO[C@@H]1C[C@@H](CO)N(c2cc(N3CCSCC3)[nH+]cn2)C1 ZINC000284625223 536786143 /nfs/dbraw/zinc/78/61/43/536786143.db2.gz UEUHXXISQKCPMF-NWDGAFQWSA-N 1 2 310.423 0.616 10 0 DCAELO CO[C@@H]1C[C@@H](CO)N(c2cc(N3CCSCC3)nc[nH+]2)C1 ZINC000284625223 536786146 /nfs/dbraw/zinc/78/61/46/536786146.db2.gz UEUHXXISQKCPMF-NWDGAFQWSA-N 1 2 310.423 0.616 10 0 DCAELO C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2ccc(N)cc2F)C1 ZINC000091662467 545717770 /nfs/dbraw/zinc/71/77/70/545717770.db2.gz UIYWQCZZOYQGNA-SNVBAGLBSA-N 1 2 303.359 0.017 10 0 DCAELO Cc1noc(CCNC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)n1 ZINC000105221681 545732784 /nfs/dbraw/zinc/73/27/84/545732784.db2.gz GETDOWFQARKTBF-QWRGUYRKSA-N 1 2 311.386 0.329 10 0 DCAELO COCC[N@@H+]1CCN(S(=O)(=O)CC[C@@H]2CCCO2)C[C@@H]1C ZINC000120915302 545746250 /nfs/dbraw/zinc/74/62/50/545746250.db2.gz ARXJNUPFMUKNLR-KBPBESRZSA-N 1 2 320.455 0.538 10 0 DCAELO COCC[N@H+]1CCN(S(=O)(=O)CC[C@@H]2CCCO2)C[C@@H]1C ZINC000120915302 545746257 /nfs/dbraw/zinc/74/62/57/545746257.db2.gz ARXJNUPFMUKNLR-KBPBESRZSA-N 1 2 320.455 0.538 10 0 DCAELO O=C(N[C@@H]1CCCn2ncnc21)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000333113606 546071630 /nfs/dbraw/zinc/07/16/30/546071630.db2.gz YCJBRDVVTCIGQU-CHWSQXEVSA-N 1 2 320.397 0.229 10 0 DCAELO C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC(=O)c3cccn32)CC1 ZINC000333326602 546078140 /nfs/dbraw/zinc/07/81/40/546078140.db2.gz QISBGQVLUZUWIA-OCCSQVGLSA-N 1 2 305.378 0.531 10 0 DCAELO O=C(CNC(=O)c1ccc(F)cc1)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000606443570 546310674 /nfs/dbraw/zinc/31/06/74/546310674.db2.gz IDZGIVOUYDKETI-CYBMUJFWSA-N 1 2 316.336 0.883 10 0 DCAELO Cn1cc(O[C@@H]2CCC[C@@H]2NC(=O)Cc2c[nH+]cn2C)cn1 ZINC000888094853 661163116 /nfs/dbraw/zinc/16/31/16/661163116.db2.gz FSQCMXITZVYKPV-UONOGXRCSA-N 1 2 303.366 0.812 10 0 DCAELO O=C1[C@H]([N@@H+]2CCO[C@]3(CCCOC3)C2)CCN1C1CCOCC1 ZINC000329063913 659809118 /nfs/dbraw/zinc/80/91/18/659809118.db2.gz KKCUPLSZGPVHDZ-NVXWUHKLSA-N 1 2 324.421 0.648 10 0 DCAELO O=C1[C@H]([N@H+]2CCO[C@]3(CCCOC3)C2)CCN1C1CCOCC1 ZINC000329063913 659809123 /nfs/dbraw/zinc/80/91/23/659809123.db2.gz KKCUPLSZGPVHDZ-NVXWUHKLSA-N 1 2 324.421 0.648 10 0 DCAELO C[C@H]1C[C@H]1CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731682186 664876821 /nfs/dbraw/zinc/87/68/21/664876821.db2.gz HKYOENFVWXADJW-RYUDHWBXSA-N 1 2 317.455 0.451 10 0 DCAELO CCC(CC)(CNC(=O)[C@H](C)N1CC[NH2+]CC1=O)SC ZINC000705765264 667375426 /nfs/dbraw/zinc/37/54/26/667375426.db2.gz AXVVXEZTPHNSNZ-NSHDSACASA-N 1 2 301.456 0.845 10 0 DCAELO CCn1nc(C)c(C[N@@H+]2CCC[C@@](O)(Cc3nncn3C)C2)n1 ZINC000886088297 667730784 /nfs/dbraw/zinc/73/07/84/667730784.db2.gz GHTAZNRJQXFBQH-OAHLLOKOSA-N 1 2 319.413 0.305 10 0 DCAELO CCn1nc(C)c(C[N@H+]2CCC[C@@](O)(Cc3nncn3C)C2)n1 ZINC000886088297 667730786 /nfs/dbraw/zinc/73/07/86/667730786.db2.gz GHTAZNRJQXFBQH-OAHLLOKOSA-N 1 2 319.413 0.305 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2noc(C)n2)nc[nH+]1 ZINC000124047167 667891228 /nfs/dbraw/zinc/89/12/28/667891228.db2.gz VTLVLZHIYFMKGL-SNVBAGLBSA-N 1 2 317.353 0.609 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2noc(C)n2)[nH+]cn1 ZINC000124047167 667891232 /nfs/dbraw/zinc/89/12/32/667891232.db2.gz VTLVLZHIYFMKGL-SNVBAGLBSA-N 1 2 317.353 0.609 10 0 DCAELO Cc1nnc(C[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)n1C ZINC000180077513 1185170087 /nfs/dbraw/zinc/17/00/87/1185170087.db2.gz BIODFNOSPQXGHB-VIFPVBQESA-N 1 2 309.395 0.622 10 0 DCAELO C[C@@H]1C[C@H]([NH2+]Cc2nnn(C)n2)CN(C(=O)OC(C)(C)C)C1 ZINC000401679615 774062489 /nfs/dbraw/zinc/06/24/89/774062489.db2.gz QNFHFOPVVGSNFD-MNOVXSKESA-N 1 2 310.402 0.945 10 0 DCAELO COC(=O)[C@@H](C)CN(C)c1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000181228590 199268344 /nfs/dbraw/zinc/26/83/44/199268344.db2.gz MGMXVORZAVXGTI-NWDGAFQWSA-N 1 2 308.382 0.683 10 0 DCAELO COC(=O)[C@@H](C)CN(C)c1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000181228590 199268347 /nfs/dbraw/zinc/26/83/47/199268347.db2.gz MGMXVORZAVXGTI-NWDGAFQWSA-N 1 2 308.382 0.683 10 0 DCAELO Cn1c(=O)cc(C(=O)NCC[NH+]2CCOCC2)c2ccccc21 ZINC000074715029 185011749 /nfs/dbraw/zinc/01/17/49/185011749.db2.gz JMZYAXDSQNRYQM-UHFFFAOYSA-N 1 2 315.373 0.601 10 0 DCAELO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)CC2CCOCC2)CC1 ZINC000173861555 529387520 /nfs/dbraw/zinc/38/75/20/529387520.db2.gz YHTNXLQKOHVKHU-CQSZACIVSA-N 1 2 320.455 0.131 10 0 DCAELO COc1cccc(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)c1F ZINC000090165919 185284290 /nfs/dbraw/zinc/28/42/90/185284290.db2.gz JHIBUXSIHAURES-LLVKDONJSA-N 1 2 312.341 0.257 10 0 DCAELO Cc1nc(Cl)ccc1S(=O)(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000286824028 219184324 /nfs/dbraw/zinc/18/43/24/219184324.db2.gz JCMFNCZLEURZEF-JTQLQIEISA-N 1 2 319.814 0.652 10 0 DCAELO Cc1nc(Cl)ccc1S(=O)(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000286824028 219184327 /nfs/dbraw/zinc/18/43/27/219184327.db2.gz JCMFNCZLEURZEF-JTQLQIEISA-N 1 2 319.814 0.652 10 0 DCAELO Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)Cc1ncnn1C ZINC000279751877 215115270 /nfs/dbraw/zinc/11/52/70/215115270.db2.gz QICIPJFTUHWAKD-JSGCOSHPSA-N 1 2 321.404 0.593 10 0 DCAELO Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)Cc1ncnn1C ZINC000279751877 215115272 /nfs/dbraw/zinc/11/52/72/215115272.db2.gz QICIPJFTUHWAKD-JSGCOSHPSA-N 1 2 321.404 0.593 10 0 DCAELO COc1ccccc1OCC(=O)N(C)C[C@@H]1C[N@H+](C)CCO1 ZINC000074774724 545671721 /nfs/dbraw/zinc/67/17/21/545671721.db2.gz KRUYEGRXWVFSOD-ZDUSSCGKSA-N 1 2 308.378 0.863 10 0 DCAELO COc1ccccc1OCC(=O)N(C)C[C@@H]1C[N@@H+](C)CCO1 ZINC000074774724 545671725 /nfs/dbraw/zinc/67/17/25/545671725.db2.gz KRUYEGRXWVFSOD-ZDUSSCGKSA-N 1 2 308.378 0.863 10 0 DCAELO C[C@H](CNC(=O)Nc1cccc(N(C)C)n1)[NH+]1CCOCC1 ZINC000181932646 186220663 /nfs/dbraw/zinc/22/06/63/186220663.db2.gz VQYTVHNSYXVAAG-GFCCVEGCSA-N 1 2 307.398 0.990 10 0 DCAELO O=C(CNC(=O)c1ccccn1)NCCCNc1cccc[nH+]1 ZINC000172553957 198114843 /nfs/dbraw/zinc/11/48/43/198114843.db2.gz KRFSBXOIEPHARN-UHFFFAOYSA-N 1 2 313.361 0.825 10 0 DCAELO CC(C)c1cc(C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)no1 ZINC000120150559 535366020 /nfs/dbraw/zinc/36/60/20/535366020.db2.gz JNYOSFKUFCEIPC-HNNXBMFYSA-N 1 2 311.382 0.611 10 0 DCAELO C[C@@H](CNC(=O)c1cn(C)nc1[C@@H]1CCOC1)[NH+]1CCOCC1 ZINC000275255894 295968844 /nfs/dbraw/zinc/96/88/44/295968844.db2.gz HDFIJKKJLIIJAY-QWHCGFSZSA-N 1 2 322.409 0.375 10 0 DCAELO C[C@@H]1CCCN(S(=O)(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000170885279 237130194 /nfs/dbraw/zinc/13/01/94/237130194.db2.gz BUFRESZJSMOSGM-CYBMUJFWSA-N 1 2 319.471 0.664 10 0 DCAELO C[C@@H]1CCCN(S(=O)(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000170885279 237130203 /nfs/dbraw/zinc/13/02/03/237130203.db2.gz BUFRESZJSMOSGM-CYBMUJFWSA-N 1 2 319.471 0.664 10 0 DCAELO CCc1onc(C)c1C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000187783022 200155784 /nfs/dbraw/zinc/15/57/84/200155784.db2.gz HTKVTJWFKVHXGI-GFCCVEGCSA-N 1 2 311.382 0.311 10 0 DCAELO CCc1onc(C)c1C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000187783000 200156119 /nfs/dbraw/zinc/15/61/19/200156119.db2.gz HTKVTJWFKVHXGI-LBPRGKRZSA-N 1 2 311.382 0.311 10 0 DCAELO CC[C@@H]1C[N@H+](CC(=O)N2CCOCC2)CCN1CC(F)F ZINC000153623019 291207795 /nfs/dbraw/zinc/20/77/95/291207795.db2.gz ZIJPCXKGBVJAPB-GFCCVEGCSA-N 1 2 305.369 0.507 10 0 DCAELO CC[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)CCN1CC(F)F ZINC000153623019 291207796 /nfs/dbraw/zinc/20/77/96/291207796.db2.gz ZIJPCXKGBVJAPB-GFCCVEGCSA-N 1 2 305.369 0.507 10 0 DCAELO CCOC(=O)[C@](NC(C)=O)(N1CC[NH+](C)CC1)C(F)(F)F ZINC000020609024 182238840 /nfs/dbraw/zinc/23/88/40/182238840.db2.gz IVDSPKMDIHSRFO-NSHDSACASA-N 1 2 311.304 0.192 10 0 DCAELO CC(=O)Nc1ccc(CNC(=O)NC[C@H]2C[N@H+](C)CCO2)cc1 ZINC000104780559 194038756 /nfs/dbraw/zinc/03/87/56/194038756.db2.gz MNVSTYNOYPSXOE-HNNXBMFYSA-N 1 2 320.393 0.775 10 0 DCAELO CC(=O)Nc1ccc(CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000104780559 194038759 /nfs/dbraw/zinc/03/87/59/194038759.db2.gz MNVSTYNOYPSXOE-HNNXBMFYSA-N 1 2 320.393 0.775 10 0 DCAELO CC(C)Oc1ccc(CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)cn1 ZINC000104783929 194040294 /nfs/dbraw/zinc/04/02/94/194040294.db2.gz CAOSLHQMKGLDHB-CQSZACIVSA-N 1 2 322.409 0.999 10 0 DCAELO CC(C)Oc1ccc(CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cn1 ZINC000104783929 194040296 /nfs/dbraw/zinc/04/02/96/194040296.db2.gz CAOSLHQMKGLDHB-CQSZACIVSA-N 1 2 322.409 0.999 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)NCc2nccn2C(F)F)C1 ZINC000105225750 194086832 /nfs/dbraw/zinc/08/68/32/194086832.db2.gz DAAGSHNMUZDAFH-VIFPVBQESA-N 1 2 303.313 0.408 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)NCc2nccn2C(F)F)C1 ZINC000105225750 194086833 /nfs/dbraw/zinc/08/68/33/194086833.db2.gz DAAGSHNMUZDAFH-VIFPVBQESA-N 1 2 303.313 0.408 10 0 DCAELO CC[C@H](C(N)=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000105894459 194160114 /nfs/dbraw/zinc/16/01/14/194160114.db2.gz JMAJGUHCEXGGTA-GOEBONIOSA-N 1 2 321.421 0.308 10 0 DCAELO CC[C@H](C(N)=O)[NH+]1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000105894459 194160115 /nfs/dbraw/zinc/16/01/15/194160115.db2.gz JMAJGUHCEXGGTA-GOEBONIOSA-N 1 2 321.421 0.308 10 0 DCAELO C[C@H](NC[C@@H]1C[N@H+](C)CCO1)c1nnnn1-c1ccccc1 ZINC000105932398 194173146 /nfs/dbraw/zinc/17/31/46/194173146.db2.gz QMRGDOUKUPOJJG-GXTWGEPZSA-N 1 2 302.382 0.644 10 0 DCAELO C[C@H](NC[C@@H]1C[N@@H+](C)CCO1)c1nnnn1-c1ccccc1 ZINC000105932398 194173148 /nfs/dbraw/zinc/17/31/48/194173148.db2.gz QMRGDOUKUPOJJG-GXTWGEPZSA-N 1 2 302.382 0.644 10 0 DCAELO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NCCNC(=O)OC(C)(C)C ZINC000059164974 184135209 /nfs/dbraw/zinc/13/52/09/184135209.db2.gz GHGYFVAFDSNOPO-NSHDSACASA-N 1 2 312.370 0.608 10 0 DCAELO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NCCNC(=O)OC(C)(C)C ZINC000059164974 184135211 /nfs/dbraw/zinc/13/52/11/184135211.db2.gz GHGYFVAFDSNOPO-NSHDSACASA-N 1 2 312.370 0.608 10 0 DCAELO C[C@@H]1C[N@H+](CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)CCS1 ZINC000171696183 252594041 /nfs/dbraw/zinc/59/40/41/252594041.db2.gz IZZKZUFATHSZRC-MRVPVSSYSA-N 1 2 324.406 0.074 10 0 DCAELO C[C@@H]1C[N@@H+](CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)CCS1 ZINC000171696183 252594043 /nfs/dbraw/zinc/59/40/43/252594043.db2.gz IZZKZUFATHSZRC-MRVPVSSYSA-N 1 2 324.406 0.074 10 0 DCAELO C[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC(=O)c3cccn32)CC1 ZINC000333326605 252706853 /nfs/dbraw/zinc/70/68/53/252706853.db2.gz QISBGQVLUZUWIA-TZMCWYRMSA-N 1 2 305.378 0.531 10 0 DCAELO O=C(C[NH+]1CCN(c2ccccn2)CC1)N1C[C@@H](F)C[C@H]1CO ZINC000347342511 254149956 /nfs/dbraw/zinc/14/99/56/254149956.db2.gz DRQPSHKTYVGBQB-KBPBESRZSA-N 1 2 322.384 0.135 10 0 DCAELO C[C@@H](C(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1)c1ccccc1 ZINC000276658171 533214308 /nfs/dbraw/zinc/21/43/08/533214308.db2.gz YPLQLHQJMFQQNC-UKRRQHHQSA-N 1 2 319.405 0.435 10 0 DCAELO C[C@@H](C(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1)c1ccccc1 ZINC000276658171 533214312 /nfs/dbraw/zinc/21/43/12/533214312.db2.gz YPLQLHQJMFQQNC-UKRRQHHQSA-N 1 2 319.405 0.435 10 0 DCAELO Cc1cc(C[N@@H+]2C[C@H]3COC[C@@]3(CN3CCOCC3)C2)no1 ZINC000247951146 257113894 /nfs/dbraw/zinc/11/38/94/257113894.db2.gz YLPGBPSOBFJHGY-GOEBONIOSA-N 1 2 307.394 0.764 10 0 DCAELO Cc1cc(C[N@H+]2C[C@H]3COC[C@@]3(CN3CCOCC3)C2)no1 ZINC000247951146 257113895 /nfs/dbraw/zinc/11/38/95/257113895.db2.gz YLPGBPSOBFJHGY-GOEBONIOSA-N 1 2 307.394 0.764 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCCc3ccccn3)C[C@H]21 ZINC000283936182 131035024 /nfs/dbraw/zinc/03/50/24/131035024.db2.gz JLNQLGJKBJEDKX-HUUCEWRRSA-N 1 2 304.394 0.739 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCCc3ccccn3)C[C@H]21 ZINC000283936182 131035025 /nfs/dbraw/zinc/03/50/25/131035025.db2.gz JLNQLGJKBJEDKX-HUUCEWRRSA-N 1 2 304.394 0.739 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Cn3ncc4ccccc43)C[C@@H]21 ZINC000283961416 131036700 /nfs/dbraw/zinc/03/67/00/131036700.db2.gz GNZHIOHRLILDON-JKSUJKDBSA-N 1 2 314.389 0.968 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)Cn3ncc4ccccc43)C[C@@H]21 ZINC000283961416 131036702 /nfs/dbraw/zinc/03/67/02/131036702.db2.gz GNZHIOHRLILDON-JKSUJKDBSA-N 1 2 314.389 0.968 10 0 DCAELO CNC(=O)c1cccc(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000283972284 131037992 /nfs/dbraw/zinc/03/79/92/131037992.db2.gz GZBSCXYQLGIYEV-LSDHHAIUSA-N 1 2 317.389 0.591 10 0 DCAELO CNC(=O)c1cccc(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000283972284 131037994 /nfs/dbraw/zinc/03/79/94/131037994.db2.gz GZBSCXYQLGIYEV-LSDHHAIUSA-N 1 2 317.389 0.591 10 0 DCAELO CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000284521580 131088112 /nfs/dbraw/zinc/08/81/12/131088112.db2.gz GAERXPWYAIWAJT-KBPBESRZSA-N 1 2 314.345 0.587 10 0 DCAELO C[C@H](CNC(=O)C(=O)Nc1ccccc1F)[NH+]1CCOCC1 ZINC000041600714 395738391 /nfs/dbraw/zinc/73/83/91/395738391.db2.gz YDXWUQHQIPVASN-LLVKDONJSA-N 1 2 309.341 0.601 10 0 DCAELO Cc1ccc(F)c(NC(=O)C(=O)NC[C@H](C)[NH+]2CCOCC2)c1 ZINC000041601191 395738710 /nfs/dbraw/zinc/73/87/10/395738710.db2.gz GURBECQXXAQGDU-LBPRGKRZSA-N 1 2 323.368 0.910 10 0 DCAELO COc1cccc([C@@H]2C[C@@H]2C(=O)N2CC[NH+](CCO)CC2)c1 ZINC000106929281 395784492 /nfs/dbraw/zinc/78/44/92/395784492.db2.gz AMPCCNROTIMMLL-HOTGVXAUSA-N 1 2 304.390 0.935 10 0 DCAELO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2nncn2C)CC1 ZINC000103491555 395774074 /nfs/dbraw/zinc/77/40/74/395774074.db2.gz FICOFROUVKCGII-ZDUSSCGKSA-N 1 2 320.441 0.380 10 0 DCAELO Cc1ccn(CC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)c(=O)c1 ZINC000194711785 395804589 /nfs/dbraw/zinc/80/45/89/395804589.db2.gz KPWJJPONMVIGJS-AWEZNQCLSA-N 1 2 305.378 0.136 10 0 DCAELO Cc1ccn(CC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)c(=O)c1 ZINC000194711785 395804592 /nfs/dbraw/zinc/80/45/92/395804592.db2.gz KPWJJPONMVIGJS-AWEZNQCLSA-N 1 2 305.378 0.136 10 0 DCAELO Cc1ccn(CC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)c(=O)c1 ZINC000194711772 395804702 /nfs/dbraw/zinc/80/47/02/395804702.db2.gz KPWJJPONMVIGJS-CQSZACIVSA-N 1 2 305.378 0.136 10 0 DCAELO Cc1ccn(CC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)c(=O)c1 ZINC000194711772 395804705 /nfs/dbraw/zinc/80/47/05/395804705.db2.gz KPWJJPONMVIGJS-CQSZACIVSA-N 1 2 305.378 0.136 10 0 DCAELO CCn1c(C)nnc1C[N@H+](CCO)CCOCC(F)(F)F ZINC000112412611 395817526 /nfs/dbraw/zinc/81/75/26/395817526.db2.gz URKUCLIYCHQICZ-UHFFFAOYSA-N 1 2 310.320 0.980 10 0 DCAELO CCn1c(C)nnc1C[N@@H+](CCO)CCOCC(F)(F)F ZINC000112412611 395817531 /nfs/dbraw/zinc/81/75/31/395817531.db2.gz URKUCLIYCHQICZ-UHFFFAOYSA-N 1 2 310.320 0.980 10 0 DCAELO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCC2(C)COC2)CC1 ZINC000112724008 395822998 /nfs/dbraw/zinc/82/29/98/395822998.db2.gz DSXPJKUOEGIUCC-LBPRGKRZSA-N 1 2 324.425 0.017 10 0 DCAELO C[NH+](C)[C@H](CNC(=O)[C@@H]1CNC(=O)C1)c1c(F)cccc1F ZINC000115412648 395839790 /nfs/dbraw/zinc/83/97/90/395839790.db2.gz UTQYLUSLBWECKQ-JOYOIKCWSA-N 1 2 311.332 0.820 10 0 DCAELO COc1ccc(OC)c(C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)c1 ZINC000116888441 395847847 /nfs/dbraw/zinc/84/78/47/395847847.db2.gz VTLMSHAUBKRHSW-LBPRGKRZSA-N 1 2 314.407 0.827 10 0 DCAELO COc1ccc(OC)c(C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)c1 ZINC000116888441 395847850 /nfs/dbraw/zinc/84/78/50/395847850.db2.gz VTLMSHAUBKRHSW-LBPRGKRZSA-N 1 2 314.407 0.827 10 0 DCAELO Cc1ccc2ncn(C[C@@H](O)C[NH+]3CCOCC3)c(=O)c2c1 ZINC000051374204 395849819 /nfs/dbraw/zinc/84/98/19/395849819.db2.gz QAWCVTKBBPBWJY-ZDUSSCGKSA-N 1 2 303.362 0.398 10 0 DCAELO Cc1[nH]ncc1CCCNC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000117022215 395850268 /nfs/dbraw/zinc/85/02/68/395850268.db2.gz GZZHDRCSTSANKV-AWEZNQCLSA-N 1 2 309.414 0.623 10 0 DCAELO CCc1cc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)n(C)n1 ZINC000122909242 395890145 /nfs/dbraw/zinc/89/01/45/395890145.db2.gz HKNSQGQNACDMOE-UHFFFAOYSA-N 1 2 305.382 0.228 10 0 DCAELO COc1ccc(NC(=O)C[NH+]2C[C@@H](O)[C@H](O)C2)cc1Cl ZINC000234948380 395891993 /nfs/dbraw/zinc/89/19/93/395891993.db2.gz OGCFSKGHIRNRIQ-GHMZBOCLSA-N 1 2 300.742 0.325 10 0 DCAELO CCS(=O)(=O)CC[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000118397979 395862117 /nfs/dbraw/zinc/86/21/17/395862117.db2.gz WIDJURSJKHGPGC-UHFFFAOYSA-N 1 2 312.439 0.812 10 0 DCAELO Cc1cccc([C@@H](O)CNC(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000119624731 395873075 /nfs/dbraw/zinc/87/30/75/395873075.db2.gz OCGULNUQYFDWGA-GJZGRUSLSA-N 1 2 307.394 0.658 10 0 DCAELO Cc1cccc([C@@H](O)CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000119624731 395873077 /nfs/dbraw/zinc/87/30/77/395873077.db2.gz OCGULNUQYFDWGA-GJZGRUSLSA-N 1 2 307.394 0.658 10 0 DCAELO C[C@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@H]1[NH+]1CCOCC1 ZINC000273625955 395934666 /nfs/dbraw/zinc/93/46/66/395934666.db2.gz RRKPTPJHWVBIRX-CMPLNLGQSA-N 1 2 307.350 0.171 10 0 DCAELO COC(=O)[C@@H](C)N(C[C@@H](O)C[NH+]1CCOCC1)C1CCC1 ZINC000248895807 395999509 /nfs/dbraw/zinc/99/95/09/395999509.db2.gz UALDHMNEISSMAC-OCCSQVGLSA-N 1 2 300.399 0.096 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)N[C@H]2c3ccccc3C[C@@H]2O)C1 ZINC000246360517 395947964 /nfs/dbraw/zinc/94/79/64/395947964.db2.gz FBWYYQIRYHYRGN-SNPRPXQTSA-N 1 2 305.378 0.275 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)N[C@H]2c3ccccc3C[C@@H]2O)C1 ZINC000246360517 395947965 /nfs/dbraw/zinc/94/79/65/395947965.db2.gz FBWYYQIRYHYRGN-SNPRPXQTSA-N 1 2 305.378 0.275 10 0 DCAELO C[C@H]1CN(CC(=O)NCC(F)(F)F)C[C@H]1[NH+]1CCOCC1 ZINC000246410737 395950076 /nfs/dbraw/zinc/95/00/76/395950076.db2.gz JZYNGFGDWGLKMN-WDEREUQCSA-N 1 2 309.332 0.317 10 0 DCAELO C[C@H]1C[N@H+](CC(=O)NCC(F)(F)F)C[C@H]1N1CCOCC1 ZINC000246410737 395950078 /nfs/dbraw/zinc/95/00/78/395950078.db2.gz JZYNGFGDWGLKMN-WDEREUQCSA-N 1 2 309.332 0.317 10 0 DCAELO C[C@H]1C[N@@H+](CC(=O)NCC(F)(F)F)C[C@H]1N1CCOCC1 ZINC000246410737 395950079 /nfs/dbraw/zinc/95/00/79/395950079.db2.gz JZYNGFGDWGLKMN-WDEREUQCSA-N 1 2 309.332 0.317 10 0 DCAELO CC[C@@H]1C[N@H+](C[C@H](C)CS(C)(=O)=O)CCN1CCOC ZINC000246630019 395954473 /nfs/dbraw/zinc/95/44/73/395954473.db2.gz SSPMQEJOTKPBAB-UONOGXRCSA-N 1 2 306.472 0.710 10 0 DCAELO CC[C@@H]1C[N@@H+](C[C@H](C)CS(C)(=O)=O)CCN1CCOC ZINC000246630019 395954477 /nfs/dbraw/zinc/95/44/77/395954477.db2.gz SSPMQEJOTKPBAB-UONOGXRCSA-N 1 2 306.472 0.710 10 0 DCAELO CC[C@@H]1CN(C[C@H](C)CS(C)(=O)=O)CC[N@@H+]1CCOC ZINC000246630019 395954480 /nfs/dbraw/zinc/95/44/80/395954480.db2.gz SSPMQEJOTKPBAB-UONOGXRCSA-N 1 2 306.472 0.710 10 0 DCAELO CC[C@@H]1CN(C[C@H](C)CS(C)(=O)=O)CC[N@H+]1CCOC ZINC000246630019 395954483 /nfs/dbraw/zinc/95/44/83/395954483.db2.gz SSPMQEJOTKPBAB-UONOGXRCSA-N 1 2 306.472 0.710 10 0 DCAELO CCCCN(C)S(=O)(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000246622179 395954503 /nfs/dbraw/zinc/95/45/03/395954503.db2.gz XYWADNSAUMDYLF-ZIAGYGMSSA-N 1 2 319.471 0.616 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc([S@@](C)=O)cc2)C[C@@H]1C ZINC000246656733 395955174 /nfs/dbraw/zinc/95/51/74/395955174.db2.gz GVWJYNBYHIVQCA-UTWWPYJBSA-N 1 2 324.446 0.951 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc([S@@](C)=O)cc2)C[C@@H]1C ZINC000246656733 395955180 /nfs/dbraw/zinc/95/51/80/395955180.db2.gz GVWJYNBYHIVQCA-UTWWPYJBSA-N 1 2 324.446 0.951 10 0 DCAELO CCc1nc2n(n1)CCC[C@H]2NC(=O)NCCn1cc[nH+]c1 ZINC000150966131 395976471 /nfs/dbraw/zinc/97/64/71/395976471.db2.gz FYYIYUMXUWJTLR-LLVKDONJSA-N 1 2 303.370 0.871 10 0 DCAELO C[C@@H]1CCN(C(=O)NC[C@H]2CN(C)CCO2)C[C@H]1n1cc[nH+]c1 ZINC000247576670 395976827 /nfs/dbraw/zinc/97/68/27/395976827.db2.gz LRBQRXNNDDUQCB-QLFBSQMISA-N 1 2 321.425 0.806 10 0 DCAELO CC(C)CCn1cc(C(=O)NC[C@@H](C)[NH+]2CCOCC2)nn1 ZINC000151103975 395978768 /nfs/dbraw/zinc/97/87/68/395978768.db2.gz VMGODVSVWYBJPI-CYBMUJFWSA-N 1 2 309.414 0.775 10 0 DCAELO COCCC(=O)N[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000065212738 395991111 /nfs/dbraw/zinc/99/11/11/395991111.db2.gz ZRMASRBEAXFBFI-ZDUSSCGKSA-N 1 2 320.393 0.271 10 0 DCAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)N[C@H](C)C(=O)NC(C)(C)C ZINC000248653263 395993131 /nfs/dbraw/zinc/99/31/31/395993131.db2.gz YQOHVBHCVZVWPK-OLZOCXBDSA-N 1 2 313.442 0.907 10 0 DCAELO CCCC[N@H+]1CCOC[C@H]1C(=O)N[C@H](C)C(=O)NC(C)(C)C ZINC000248653263 395993133 /nfs/dbraw/zinc/99/31/33/395993133.db2.gz YQOHVBHCVZVWPK-OLZOCXBDSA-N 1 2 313.442 0.907 10 0 DCAELO Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@H]2CSC(=O)N2)CC1 ZINC000155087536 396046891 /nfs/dbraw/zinc/04/68/91/396046891.db2.gz WBSGJBKTQYGNAR-GFCCVEGCSA-N 1 2 324.406 0.761 10 0 DCAELO O=C(NCc1ccccc1Cn1cncn1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000261601763 396048145 /nfs/dbraw/zinc/04/81/45/396048145.db2.gz AIFBZLAVAIEDRN-ZDUSSCGKSA-N 1 2 321.331 0.940 10 0 DCAELO CCc1noc(CC)c1CNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000155289571 396049461 /nfs/dbraw/zinc/04/94/61/396049461.db2.gz FQLLMLPEBPPFNO-LLVKDONJSA-N 1 2 310.398 0.929 10 0 DCAELO CCc1noc(CC)c1CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000155289571 396049463 /nfs/dbraw/zinc/04/94/63/396049463.db2.gz FQLLMLPEBPPFNO-LLVKDONJSA-N 1 2 310.398 0.929 10 0 DCAELO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)CCc1nc[nH]n1 ZINC000261702751 396058028 /nfs/dbraw/zinc/05/80/28/396058028.db2.gz DBVNPGQQWJFTIM-CYBMUJFWSA-N 1 2 315.377 0.919 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2Cc3ccccc3C(=O)O2)C1 ZINC000250424845 396014153 /nfs/dbraw/zinc/01/41/53/396014153.db2.gz FJMJUXJZDPKPQO-GXTWGEPZSA-N 1 2 304.346 0.215 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2Cc3ccccc3C(=O)O2)C1 ZINC000250424845 396014157 /nfs/dbraw/zinc/01/41/57/396014157.db2.gz FJMJUXJZDPKPQO-GXTWGEPZSA-N 1 2 304.346 0.215 10 0 DCAELO O=C(NCCN1C(=O)CCC1=O)NCc1cn2c([nH+]1)CCCC2 ZINC000073056418 396141520 /nfs/dbraw/zinc/14/15/20/396141520.db2.gz FHGOAUMZOUEKKF-UHFFFAOYSA-N 1 2 319.365 0.168 10 0 DCAELO COC(C)(C)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000171589341 396119998 /nfs/dbraw/zinc/11/99/98/396119998.db2.gz KKYPLPCLPDYKHN-UHFFFAOYSA-N 1 2 318.381 0.437 10 0 DCAELO Cc1ncc(C[NH+]2CCN(C(=O)[C@H]3COCCO3)CC2)s1 ZINC000171863097 396126896 /nfs/dbraw/zinc/12/68/96/396126896.db2.gz BNGCQGNJDUPTMR-CYBMUJFWSA-N 1 2 311.407 0.511 10 0 DCAELO O=S(=O)(C[C@@H]1CCOC1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261874011 396074319 /nfs/dbraw/zinc/07/43/19/396074319.db2.gz SSENKXMPBBPFLK-OCCSQVGLSA-N 1 2 311.407 0.394 10 0 DCAELO C[C@H]1CN(CC(=O)N(C)c2nccs2)C[C@@H]1[NH+]1CCOCC1 ZINC000177235284 396170140 /nfs/dbraw/zinc/17/01/40/396170140.db2.gz BFOZJZDFMMQQRE-STQMWFEESA-N 1 2 324.450 0.758 10 0 DCAELO C[C@H]1C[N@H+](CC(=O)N(C)c2nccs2)C[C@@H]1N1CCOCC1 ZINC000177235284 396170142 /nfs/dbraw/zinc/17/01/42/396170142.db2.gz BFOZJZDFMMQQRE-STQMWFEESA-N 1 2 324.450 0.758 10 0 DCAELO C[C@H]1C[N@@H+](CC(=O)N(C)c2nccs2)C[C@@H]1N1CCOCC1 ZINC000177235284 396170143 /nfs/dbraw/zinc/17/01/43/396170143.db2.gz BFOZJZDFMMQQRE-STQMWFEESA-N 1 2 324.450 0.758 10 0 DCAELO C[C@@H]1CN(CC(=O)Nc2nccs2)C[C@@H]1[NH+]1CCOCC1 ZINC000177224265 396170374 /nfs/dbraw/zinc/17/03/74/396170374.db2.gz BGGHOOKJOCWDHZ-NEPJUHHUSA-N 1 2 310.423 0.734 10 0 DCAELO C[C@@H]1C[N@H+](CC(=O)Nc2nccs2)C[C@@H]1N1CCOCC1 ZINC000177224265 396170378 /nfs/dbraw/zinc/17/03/78/396170378.db2.gz BGGHOOKJOCWDHZ-NEPJUHHUSA-N 1 2 310.423 0.734 10 0 DCAELO C[C@@H]1C[N@@H+](CC(=O)Nc2nccs2)C[C@@H]1N1CCOCC1 ZINC000177224265 396170381 /nfs/dbraw/zinc/17/03/81/396170381.db2.gz BGGHOOKJOCWDHZ-NEPJUHHUSA-N 1 2 310.423 0.734 10 0 DCAELO CC(=O)N1CCN(C(=O)C[N@@H+](C)Cc2ccc(Cl)nc2)CC1 ZINC000177623822 396180046 /nfs/dbraw/zinc/18/00/46/396180046.db2.gz CFFWXHNJSIZWTI-UHFFFAOYSA-N 1 2 324.812 0.858 10 0 DCAELO CC(=O)N1CCN(C(=O)C[N@H+](C)Cc2ccc(Cl)nc2)CC1 ZINC000177623822 396180050 /nfs/dbraw/zinc/18/00/50/396180050.db2.gz CFFWXHNJSIZWTI-UHFFFAOYSA-N 1 2 324.812 0.858 10 0 DCAELO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)N2CCCC[C@@H]2C)CC1 ZINC000075775521 396187510 /nfs/dbraw/zinc/18/75/10/396187510.db2.gz NOYAAPTWDNWNPE-UONOGXRCSA-N 1 2 319.471 0.494 10 0 DCAELO Cc1cc(N2CCN([C@H]3CCNC3=O)CC2)nc(C(C)C)[nH+]1 ZINC000178187957 396191085 /nfs/dbraw/zinc/19/10/85/396191085.db2.gz NHDLPIQSWBSWDJ-ZDUSSCGKSA-N 1 2 303.410 0.919 10 0 DCAELO CS(=O)(=O)Nc1cccc2c1CC[N@@H+]([C@H]1CCNC1=O)C2 ZINC000178193867 396191112 /nfs/dbraw/zinc/19/11/12/396191112.db2.gz KTVRTUOBIOJLAF-ZDUSSCGKSA-N 1 2 309.391 0.305 10 0 DCAELO CS(=O)(=O)Nc1cccc2c1CC[N@H+]([C@H]1CCNC1=O)C2 ZINC000178193867 396191114 /nfs/dbraw/zinc/19/11/14/396191114.db2.gz KTVRTUOBIOJLAF-ZDUSSCGKSA-N 1 2 309.391 0.305 10 0 DCAELO NS(=O)(=O)CCC[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000178405509 396195736 /nfs/dbraw/zinc/19/57/36/396195736.db2.gz GNQZSJOEOJMPBN-NEPJUHHUSA-N 1 2 318.395 0.083 10 0 DCAELO NS(=O)(=O)CCC[N@H+]1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000178405509 396195738 /nfs/dbraw/zinc/19/57/38/396195738.db2.gz GNQZSJOEOJMPBN-NEPJUHHUSA-N 1 2 318.395 0.083 10 0 DCAELO O=C(Cn1cc(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)cn1)NC1CC1 ZINC000263066443 396199964 /nfs/dbraw/zinc/19/99/64/396199964.db2.gz VYJKHHYIZHKWSS-JTQLQIEISA-N 1 2 313.308 0.097 10 0 DCAELO O=C(CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)NCC1CC1 ZINC000183775226 396274542 /nfs/dbraw/zinc/27/45/42/396274542.db2.gz OBDVWSGQCSWCBZ-AWEZNQCLSA-N 1 2 324.425 0.019 10 0 DCAELO COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC000179936158 396229930 /nfs/dbraw/zinc/22/99/30/396229930.db2.gz PLOAPSHCYUKDNF-SNVBAGLBSA-N 1 2 309.341 0.443 10 0 DCAELO COCC(=O)NC1C[NH+](CCC(=O)Nc2cccc(F)c2)C1 ZINC000185093973 396317505 /nfs/dbraw/zinc/31/75/05/396317505.db2.gz GIXHTIDRNQLSGM-UHFFFAOYSA-N 1 2 309.341 0.601 10 0 DCAELO O=C(C[N@@H+]1CCO[C@]2(CCOC2)C1)NCc1ccc(F)cc1 ZINC000185145353 396319317 /nfs/dbraw/zinc/31/93/17/396319317.db2.gz VVOKNPSZJBNIKW-MRXNPFEDSA-N 1 2 308.353 0.933 10 0 DCAELO O=C(C[N@H+]1CCO[C@]2(CCOC2)C1)NCc1ccc(F)cc1 ZINC000185145353 396319318 /nfs/dbraw/zinc/31/93/18/396319318.db2.gz VVOKNPSZJBNIKW-MRXNPFEDSA-N 1 2 308.353 0.933 10 0 DCAELO CCCNC(=O)[C@H](C)[NH+]1CCN(c2cc(OC)ncn2)CC1 ZINC000184071895 396283898 /nfs/dbraw/zinc/28/38/98/396283898.db2.gz BDUCBRRBYNMKHQ-LBPRGKRZSA-N 1 2 307.398 0.522 10 0 DCAELO Cc1cccc(S(=O)(=O)CCC[N@@H+]2C[C@H](O)C[C@@H]2CO)c1 ZINC000184290157 396289580 /nfs/dbraw/zinc/28/95/80/396289580.db2.gz KPXLMISWBBYMAZ-ZIAGYGMSSA-N 1 2 313.419 0.586 10 0 DCAELO Cc1cccc(S(=O)(=O)CCC[N@H+]2C[C@H](O)C[C@@H]2CO)c1 ZINC000184290157 396289584 /nfs/dbraw/zinc/28/95/84/396289584.db2.gz KPXLMISWBBYMAZ-ZIAGYGMSSA-N 1 2 313.419 0.586 10 0 DCAELO Cc1cc(NC(=O)C[N@@H+]2C[C@H](O)C[C@@H]2CO)n(C(C)(C)C)n1 ZINC000185190911 396321243 /nfs/dbraw/zinc/32/12/43/396321243.db2.gz CIJUOCDFNVHOFO-VXGBXAGGSA-N 1 2 310.398 0.313 10 0 DCAELO Cc1cc(NC(=O)C[N@H+]2C[C@H](O)C[C@@H]2CO)n(C(C)(C)C)n1 ZINC000185190911 396321244 /nfs/dbraw/zinc/32/12/44/396321244.db2.gz CIJUOCDFNVHOFO-VXGBXAGGSA-N 1 2 310.398 0.313 10 0 DCAELO COC(=O)CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1C[C@@H]1C(C)C ZINC000185452506 396328238 /nfs/dbraw/zinc/32/82/38/396328238.db2.gz HGNRDKWOWHDJCI-ZIAGYGMSSA-N 1 2 312.410 0.612 10 0 DCAELO Cn1nnc2ccc(C(=O)NC[C@@H]3C[N@@H+](C4CC4)CCO3)cc21 ZINC000186384485 396349069 /nfs/dbraw/zinc/34/90/69/396349069.db2.gz KJZXJAMYKVFVDY-CYBMUJFWSA-N 1 2 315.377 0.561 10 0 DCAELO Cn1nnc2ccc(C(=O)NC[C@@H]3C[N@H+](C4CC4)CCO3)cc21 ZINC000186384485 396349072 /nfs/dbraw/zinc/34/90/72/396349072.db2.gz KJZXJAMYKVFVDY-CYBMUJFWSA-N 1 2 315.377 0.561 10 0 DCAELO CC(C)C[C@@H](CO)N(C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000188365503 396381803 /nfs/dbraw/zinc/38/18/03/396381803.db2.gz IPLVQHJPXXGXGD-KGLIPLIRSA-N 1 2 301.431 0.756 10 0 DCAELO COc1ccccc1CNC(=O)C[N@@H+]1CCCNC(=O)[C@H]1C ZINC000189345136 396394195 /nfs/dbraw/zinc/39/41/95/396394195.db2.gz JDUHYBKEQRZPDD-GFCCVEGCSA-N 1 2 305.378 0.522 10 0 DCAELO COc1ccccc1CNC(=O)C[N@H+]1CCCNC(=O)[C@H]1C ZINC000189345136 396394196 /nfs/dbraw/zinc/39/41/96/396394196.db2.gz JDUHYBKEQRZPDD-GFCCVEGCSA-N 1 2 305.378 0.522 10 0 DCAELO CC[C@H](O)C[NH+]1CCN(CCCCCS(=O)(=O)CC)CC1 ZINC000190605170 396408775 /nfs/dbraw/zinc/40/87/75/396408775.db2.gz LQRGGWFXKMJPQC-HNNXBMFYSA-N 1 2 320.499 0.980 10 0 DCAELO COCCN1CCC[N@H+](CC(=O)N(C(C)C)C(C)C)CC1=O ZINC000190808956 396412020 /nfs/dbraw/zinc/41/20/20/396412020.db2.gz FKOJMSXSGJSFHO-UHFFFAOYSA-N 1 2 313.442 0.813 10 0 DCAELO COCCN1CCC[N@@H+](CC(=O)N(C(C)C)C(C)C)CC1=O ZINC000190808956 396412022 /nfs/dbraw/zinc/41/20/22/396412022.db2.gz FKOJMSXSGJSFHO-UHFFFAOYSA-N 1 2 313.442 0.813 10 0 DCAELO CN1CCC[N@H+](CC(=O)NCC2(c3ccccc3)CC2)CC1=O ZINC000191068087 396415437 /nfs/dbraw/zinc/41/54/37/396415437.db2.gz JVWMYSRTWPXOGO-UHFFFAOYSA-N 1 2 315.417 0.999 10 0 DCAELO CN1CCC[N@@H+](CC(=O)NCC2(c3ccccc3)CC2)CC1=O ZINC000191068087 396415440 /nfs/dbraw/zinc/41/54/40/396415440.db2.gz JVWMYSRTWPXOGO-UHFFFAOYSA-N 1 2 315.417 0.999 10 0 DCAELO Cc1ccccc1CCNC(=O)C[N@H+]1CCCN(C)C(=O)C1 ZINC000191112370 396415682 /nfs/dbraw/zinc/41/56/82/396415682.db2.gz RNQVRNIIXMUQGZ-UHFFFAOYSA-N 1 2 303.406 0.818 10 0 DCAELO Cc1ccccc1CCNC(=O)C[N@@H+]1CCCN(C)C(=O)C1 ZINC000191112370 396415683 /nfs/dbraw/zinc/41/56/83/396415683.db2.gz RNQVRNIIXMUQGZ-UHFFFAOYSA-N 1 2 303.406 0.818 10 0 DCAELO CC(=O)CC(C)(C)CC(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000191728908 396423977 /nfs/dbraw/zinc/42/39/77/396423977.db2.gz KVVRPDIMWFFKSR-ZDUSSCGKSA-N 1 2 300.399 0.191 10 0 DCAELO Cc1nc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCO2)sc1C ZINC000192970055 396441929 /nfs/dbraw/zinc/44/19/29/396441929.db2.gz ACFFMAWPRPLMDO-SNVBAGLBSA-N 1 2 312.395 0.145 10 0 DCAELO Cc1nc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)sc1C ZINC000192970055 396441931 /nfs/dbraw/zinc/44/19/31/396441931.db2.gz ACFFMAWPRPLMDO-SNVBAGLBSA-N 1 2 312.395 0.145 10 0 DCAELO COC(=O)[C@@H](CC(C)C)[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000586762483 396663240 /nfs/dbraw/zinc/66/32/40/396663240.db2.gz ZUOSCVSLZKVWOD-NWDGAFQWSA-N 1 2 306.428 0.588 10 0 DCAELO COC(=O)[C@@H](CC(C)C)[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000586762483 396663245 /nfs/dbraw/zinc/66/32/45/396663245.db2.gz ZUOSCVSLZKVWOD-NWDGAFQWSA-N 1 2 306.428 0.588 10 0 DCAELO COc1cccc(NC(=O)C[N@@H+]2CCN3CCOC[C@@H]3C2)c1 ZINC000375242817 396721125 /nfs/dbraw/zinc/72/11/25/396721125.db2.gz QWWRSSKDKRXFQJ-AWEZNQCLSA-N 1 2 305.378 0.650 10 0 DCAELO COc1cccc(NC(=O)C[N@H+]2CCN3CCOC[C@@H]3C2)c1 ZINC000375242817 396721126 /nfs/dbraw/zinc/72/11/26/396721126.db2.gz QWWRSSKDKRXFQJ-AWEZNQCLSA-N 1 2 305.378 0.650 10 0 DCAELO COC[C@@H](C)OC[C@@H](O)C[NH+]1CC(O)(c2ccc(F)cc2)C1 ZINC000375353891 396731302 /nfs/dbraw/zinc/73/13/02/396731302.db2.gz MKHBERXFFKSPTM-DOMZBBRYSA-N 1 2 313.369 0.741 10 0 DCAELO CC1(C)C[N@H+](CC(=O)NC(=O)NC2CC2)C[C@@]2(CCOC2)O1 ZINC000564141993 396811817 /nfs/dbraw/zinc/81/18/17/396811817.db2.gz RPFKPFHNFMBUJN-OAHLLOKOSA-N 1 2 311.382 0.245 10 0 DCAELO CC1(C)C[N@@H+](CC(=O)NC(=O)NC2CC2)C[C@@]2(CCOC2)O1 ZINC000564141993 396811829 /nfs/dbraw/zinc/81/18/29/396811829.db2.gz RPFKPFHNFMBUJN-OAHLLOKOSA-N 1 2 311.382 0.245 10 0 DCAELO C[C@H](CN1CCCC1=O)NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000332762586 396893172 /nfs/dbraw/zinc/89/31/72/396893172.db2.gz WNAOOMAVFJEXRO-MGPQQGTHSA-N 1 2 324.425 0.112 10 0 DCAELO C[C@H](CN1CCCC1=O)NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000332762586 396893175 /nfs/dbraw/zinc/89/31/75/396893175.db2.gz WNAOOMAVFJEXRO-MGPQQGTHSA-N 1 2 324.425 0.112 10 0 DCAELO CO[C@@H]1C[NH+]([C@H]2CCN(c3cc(C)nn3C)C2=O)C[C@H]1OC ZINC000328687300 285773455 /nfs/dbraw/zinc/77/34/55/285773455.db2.gz YYCVPPHKSBKIQB-YNEHKIRRSA-N 1 2 308.382 0.179 10 0 DCAELO Cc1conc1C(=O)N1CC[N@@H+](C[C@@H]2CN(C)CCO2)C[C@H]1C ZINC000630939566 397140745 /nfs/dbraw/zinc/14/07/45/397140745.db2.gz GQDGBCBBPPMKTH-KGLIPLIRSA-N 1 2 322.409 0.460 10 0 DCAELO Cc1conc1C(=O)N1CC[N@H+](C[C@@H]2CN(C)CCO2)C[C@H]1C ZINC000630939566 397140749 /nfs/dbraw/zinc/14/07/49/397140749.db2.gz GQDGBCBBPPMKTH-KGLIPLIRSA-N 1 2 322.409 0.460 10 0 DCAELO CC(C)N1CCC[C@@H]([N@H+](C)C[C@H]2CCS(=O)(=O)C2)C1=O ZINC000407950598 397333166 /nfs/dbraw/zinc/33/31/66/397333166.db2.gz BSQCXDMTVHLETC-CHWSQXEVSA-N 1 2 302.440 0.752 10 0 DCAELO CC(C)N1CCC[C@@H]([N@@H+](C)C[C@H]2CCS(=O)(=O)C2)C1=O ZINC000407950598 397333169 /nfs/dbraw/zinc/33/31/69/397333169.db2.gz BSQCXDMTVHLETC-CHWSQXEVSA-N 1 2 302.440 0.752 10 0 DCAELO COc1ccc(OC)c(C[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)c1 ZINC000370322789 397469743 /nfs/dbraw/zinc/46/97/43/397469743.db2.gz DTKFTPWUTBRCIW-CYBMUJFWSA-N 1 2 314.407 0.957 10 0 DCAELO COc1ccc(OC)c(C[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)c1 ZINC000370322789 397469749 /nfs/dbraw/zinc/46/97/49/397469749.db2.gz DTKFTPWUTBRCIW-CYBMUJFWSA-N 1 2 314.407 0.957 10 0 DCAELO CCOC(=O)c1ncc(C[N@@H+]2CCC[C@](O)(CO)C2)s1 ZINC000602842279 397499383 /nfs/dbraw/zinc/49/93/83/397499383.db2.gz OVSYUKLTLYPLOZ-CYBMUJFWSA-N 1 2 300.380 0.639 10 0 DCAELO CCOC(=O)c1ncc(C[N@H+]2CCC[C@](O)(CO)C2)s1 ZINC000602842279 397499387 /nfs/dbraw/zinc/49/93/87/397499387.db2.gz OVSYUKLTLYPLOZ-CYBMUJFWSA-N 1 2 300.380 0.639 10 0 DCAELO CC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc3[nH+]ccn3c2)C1=O ZINC000606198563 397678405 /nfs/dbraw/zinc/67/84/05/397678405.db2.gz LHRKABUFMSBJRL-HNNXBMFYSA-N 1 2 315.333 0.993 10 0 DCAELO O=C1NCCC[C@@H]1[NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000050394902 158011759 /nfs/dbraw/zinc/01/17/59/158011759.db2.gz NUUORPOAEBSZCL-NEPJUHHUSA-N 1 2 312.366 0.912 10 0 DCAELO CC(C)N(C)S(=O)(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000058561158 158027199 /nfs/dbraw/zinc/02/71/99/158027199.db2.gz UHTOUUYIERQAOJ-UHFFFAOYSA-N 1 2 309.395 0.942 10 0 DCAELO CCOc1cccc(CNC(=O)C[N@@H+]2CCNC(=O)CC2)c1 ZINC000065954710 158034687 /nfs/dbraw/zinc/03/46/87/158034687.db2.gz PQSGXZIIYGUFIM-UHFFFAOYSA-N 1 2 305.378 0.523 10 0 DCAELO CCOc1cccc(CNC(=O)C[N@H+]2CCNC(=O)CC2)c1 ZINC000065954710 158034692 /nfs/dbraw/zinc/03/46/92/158034692.db2.gz PQSGXZIIYGUFIM-UHFFFAOYSA-N 1 2 305.378 0.523 10 0 DCAELO C[C@@H]1CN(C)CC[N@@H+]1CCOc1ccc(S(N)(=O)=O)cc1 ZINC000089939250 158099887 /nfs/dbraw/zinc/09/98/87/158099887.db2.gz CYMLKVMZHGMOIG-GFCCVEGCSA-N 1 2 313.423 0.349 10 0 DCAELO C[C@@H]1CN(C)CC[N@H+]1CCOc1ccc(S(N)(=O)=O)cc1 ZINC000089939250 158099889 /nfs/dbraw/zinc/09/98/89/158099889.db2.gz CYMLKVMZHGMOIG-GFCCVEGCSA-N 1 2 313.423 0.349 10 0 DCAELO C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116891802 158168493 /nfs/dbraw/zinc/16/84/93/158168493.db2.gz YBLHDJAZGAAMFX-STQMWFEESA-N 1 2 317.455 0.257 10 0 DCAELO C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116891802 158168496 /nfs/dbraw/zinc/16/84/96/158168496.db2.gz YBLHDJAZGAAMFX-STQMWFEESA-N 1 2 317.455 0.257 10 0 DCAELO Cc1c(CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cnn1C ZINC000122096755 158218647 /nfs/dbraw/zinc/21/86/47/158218647.db2.gz ANLVOPRLFXOKCK-CQSZACIVSA-N 1 2 307.398 0.345 10 0 DCAELO CCCC[C@H](NC(=O)NCC)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000125217379 158252498 /nfs/dbraw/zinc/25/24/98/158252498.db2.gz DYRVWNWTWRZJSR-OLZOCXBDSA-N 1 2 314.430 0.311 10 0 DCAELO CCCC[C@H](NC(=O)NCC)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000125217379 158252501 /nfs/dbraw/zinc/25/25/01/158252501.db2.gz DYRVWNWTWRZJSR-OLZOCXBDSA-N 1 2 314.430 0.311 10 0 DCAELO CC(=O)N1CC[C@@H](NC(=O)NCc2ccc[nH+]c2N(C)C)C1 ZINC000133444335 158319588 /nfs/dbraw/zinc/31/95/88/158319588.db2.gz TYPVDQHFNFAYOY-CYBMUJFWSA-N 1 2 305.382 0.568 10 0 DCAELO CN(C(=O)C[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1)C1CC1 ZINC000135744421 158340247 /nfs/dbraw/zinc/34/02/47/158340247.db2.gz UUUAHGRQRGEUBX-ZDUSSCGKSA-N 1 2 315.439 0.107 10 0 DCAELO CN(C(=O)C[N@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1)C1CC1 ZINC000135744421 158340249 /nfs/dbraw/zinc/34/02/49/158340249.db2.gz UUUAHGRQRGEUBX-ZDUSSCGKSA-N 1 2 315.439 0.107 10 0 DCAELO CC(C)n1nnnc1CN1CC[NH+](Cc2cccnc2)CC1 ZINC000162365373 158359940 /nfs/dbraw/zinc/35/99/40/158359940.db2.gz NYGPBPPNZSUECY-UHFFFAOYSA-N 1 2 301.398 0.967 10 0 DCAELO Cc1ccc(C[C@H](CO)NC(=O)NC[C@H]2C[N@H+](C)CCO2)cc1 ZINC000188045380 158542593 /nfs/dbraw/zinc/54/25/93/158542593.db2.gz QIVPRWVCXYCUTC-CVEARBPZSA-N 1 2 321.421 0.528 10 0 DCAELO Cc1ccc(C[C@H](CO)NC(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000188045380 158542594 /nfs/dbraw/zinc/54/25/94/158542594.db2.gz QIVPRWVCXYCUTC-CVEARBPZSA-N 1 2 321.421 0.528 10 0 DCAELO CCS(=O)(=O)C1CC[NH+]([C@H]2CCN(C3CC3)C2=O)CC1 ZINC000328611928 159015819 /nfs/dbraw/zinc/01/58/19/159015819.db2.gz OWKBFKILAUHYAY-ZDUSSCGKSA-N 1 2 300.424 0.649 10 0 DCAELO COCc1nc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)cs1 ZINC000328902465 159039327 /nfs/dbraw/zinc/03/93/27/159039327.db2.gz GQIFVEJKGNZPGX-RYUDHWBXSA-N 1 2 311.407 0.835 10 0 DCAELO COCc1nc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)cs1 ZINC000328902465 159039328 /nfs/dbraw/zinc/03/93/28/159039328.db2.gz GQIFVEJKGNZPGX-RYUDHWBXSA-N 1 2 311.407 0.835 10 0 DCAELO Cc1cc(NC(=O)CN2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)n(C)n1 ZINC000328905477 159040215 /nfs/dbraw/zinc/04/02/15/159040215.db2.gz KBFHKGVRTUZBDK-CHWSQXEVSA-N 1 2 307.398 0.072 10 0 DCAELO Cc1cc(NC(=O)CN2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)n(C)n1 ZINC000328905477 159040216 /nfs/dbraw/zinc/04/02/16/159040216.db2.gz KBFHKGVRTUZBDK-CHWSQXEVSA-N 1 2 307.398 0.072 10 0 DCAELO Cc1cc(NC(=O)C[N@@H+]2CC[C@H]3OCCN(C)[C@@H]3C2)n(C)n1 ZINC000328905477 159040217 /nfs/dbraw/zinc/04/02/17/159040217.db2.gz KBFHKGVRTUZBDK-CHWSQXEVSA-N 1 2 307.398 0.072 10 0 DCAELO Cc1cc(NC(=O)C[N@H+]2CC[C@H]3OCCN(C)[C@@H]3C2)n(C)n1 ZINC000328905477 159040218 /nfs/dbraw/zinc/04/02/18/159040218.db2.gz KBFHKGVRTUZBDK-CHWSQXEVSA-N 1 2 307.398 0.072 10 0 DCAELO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@@H]2COCCN2C)C1 ZINC000328984672 159050282 /nfs/dbraw/zinc/05/02/82/159050282.db2.gz SWLXBTCYESXETR-KGLIPLIRSA-N 1 2 306.410 0.532 10 0 DCAELO O=C([C@@H]1COCC[N@@H+]1CC1CCC1)N1CCC[C@@](F)(CO)C1 ZINC000329251384 159076609 /nfs/dbraw/zinc/07/66/09/159076609.db2.gz XZVKVCHIWCBKRE-HOCLYGCPSA-N 1 2 314.401 0.810 10 0 DCAELO O=C([C@@H]1COCC[N@H+]1CC1CCC1)N1CCC[C@@](F)(CO)C1 ZINC000329251384 159076612 /nfs/dbraw/zinc/07/66/12/159076612.db2.gz XZVKVCHIWCBKRE-HOCLYGCPSA-N 1 2 314.401 0.810 10 0 DCAELO CC[C@@H]1CN(C(=O)c2nnn(C)c2C)C[C@H]1[NH+]1CCOCC1 ZINC000329746656 159116324 /nfs/dbraw/zinc/11/63/24/159116324.db2.gz RYLFPCVQBLGIRA-CHWSQXEVSA-N 1 2 307.398 0.306 10 0 DCAELO Cc1ccn(C[C@](C)(O)C(=O)N2CC[NH+](C3CC3)CC2)c(=O)c1 ZINC000329879012 159125755 /nfs/dbraw/zinc/12/57/55/159125755.db2.gz LQVVJUWBUGMSPG-KRWDZBQOSA-N 1 2 319.405 0.214 10 0 DCAELO C[N@@H+]1CCO[C@H]2CN(C(=O)[C@H]3CCO[C@@H]3c3cccnc3)C[C@H]21 ZINC000330067083 159139247 /nfs/dbraw/zinc/13/92/47/159139247.db2.gz UDGDQZRBVWQDOK-XUWVNRHRSA-N 1 2 317.389 0.701 10 0 DCAELO C[N@H+]1CCO[C@H]2CN(C(=O)[C@H]3CCO[C@@H]3c3cccnc3)C[C@H]21 ZINC000330067083 159139249 /nfs/dbraw/zinc/13/92/49/159139249.db2.gz UDGDQZRBVWQDOK-XUWVNRHRSA-N 1 2 317.389 0.701 10 0 DCAELO Cc1cccc2nc(C[N@@H+]3CCN4C(=O)NC[C@H]4C3)cc(=O)n12 ZINC000330278285 159156109 /nfs/dbraw/zinc/15/61/09/159156109.db2.gz PKVQQMRASQRQBT-ZDUSSCGKSA-N 1 2 313.361 0.417 10 0 DCAELO Cc1cccc2nc(C[N@H+]3CCN4C(=O)NC[C@H]4C3)cc(=O)n12 ZINC000330278285 159156111 /nfs/dbraw/zinc/15/61/11/159156111.db2.gz PKVQQMRASQRQBT-ZDUSSCGKSA-N 1 2 313.361 0.417 10 0 DCAELO CCOCC[C@@H](O)C[NH+]1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000366773759 159285431 /nfs/dbraw/zinc/28/54/31/159285431.db2.gz IHSMZFPZEUORKI-CYBMUJFWSA-N 1 2 320.455 0.320 10 0 DCAELO COc1ccc(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)cn1 ZINC000408015094 160011469 /nfs/dbraw/zinc/01/14/69/160011469.db2.gz ABEMLRNKWLXIDD-KGLIPLIRSA-N 1 2 320.393 0.705 10 0 DCAELO COc1ccc(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)cn1 ZINC000408015094 160011471 /nfs/dbraw/zinc/01/14/71/160011471.db2.gz ABEMLRNKWLXIDD-KGLIPLIRSA-N 1 2 320.393 0.705 10 0 DCAELO Cc1noc([C@H]2C[N@H+]([C@@H](C)C(=O)N(C)C(C)C)CCN2C)n1 ZINC000408033958 160017445 /nfs/dbraw/zinc/01/74/45/160017445.db2.gz BYMNMOJGBMJKMA-WCQYABFASA-N 1 2 309.414 0.922 10 0 DCAELO Cc1noc([C@H]2C[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)CCN2C)n1 ZINC000408033958 160017447 /nfs/dbraw/zinc/01/74/47/160017447.db2.gz BYMNMOJGBMJKMA-WCQYABFASA-N 1 2 309.414 0.922 10 0 DCAELO C[C@H](O)CC(C)(C)CNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000408052305 160023310 /nfs/dbraw/zinc/02/33/10/160023310.db2.gz LCHMZSQAIRREDK-MJBXVCDLSA-N 1 2 313.442 0.898 10 0 DCAELO C[C@H](O)CC(C)(C)CNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000408052305 160023312 /nfs/dbraw/zinc/02/33/12/160023312.db2.gz LCHMZSQAIRREDK-MJBXVCDLSA-N 1 2 313.442 0.898 10 0 DCAELO CC[C@H]1CN(S(=O)(=O)N2CC[C@H](C)C2)CC[N@@H+]1CCOC ZINC000408132784 160044183 /nfs/dbraw/zinc/04/41/83/160044183.db2.gz LNFLFGNGBBUSNX-KBPBESRZSA-N 1 2 319.471 0.616 10 0 DCAELO CC[C@H]1CN(S(=O)(=O)N2CC[C@H](C)C2)CC[N@H+]1CCOC ZINC000408132784 160044185 /nfs/dbraw/zinc/04/41/85/160044185.db2.gz LNFLFGNGBBUSNX-KBPBESRZSA-N 1 2 319.471 0.616 10 0 DCAELO C[C@H](C(=O)N1CCC(c2ccnn2C)CC1)[NH+]1CCOCC1 ZINC000408200824 160058417 /nfs/dbraw/zinc/05/84/17/160058417.db2.gz CBLLECBRQNDAKA-CYBMUJFWSA-N 1 2 306.410 0.847 10 0 DCAELO C[C@H]1C[NH+](CCCNS(=O)(=O)NC2CCCC2)C[C@H](C)O1 ZINC000408209180 160060947 /nfs/dbraw/zinc/06/09/47/160060947.db2.gz YZNDETKDGVMZGP-STQMWFEESA-N 1 2 319.471 0.852 10 0 DCAELO Cc1cc(C)n([C@@H](C)C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)n1 ZINC000408232856 160065117 /nfs/dbraw/zinc/06/51/17/160065117.db2.gz WPZGZUVTHMICNM-GJZGRUSLSA-N 1 2 306.410 0.994 10 0 DCAELO C[C@@H]1CN(C(=O)C2(C(=O)N(C)C)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000408274110 160073729 /nfs/dbraw/zinc/07/37/29/160073729.db2.gz WANHTQLXRYSMMM-OLZOCXBDSA-N 1 2 309.410 0.034 10 0 DCAELO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)CC(F)(F)F)CC1 ZINC000408316660 160083388 /nfs/dbraw/zinc/08/33/88/160083388.db2.gz CUEMUWAKCYSSEV-SECBINFHSA-N 1 2 304.334 0.267 10 0 DCAELO CN(C)c1[nH+]cccc1CNC(=O)Cc1nc2ncccn2n1 ZINC000058146309 286900228 /nfs/dbraw/zinc/90/02/28/286900228.db2.gz MDRNLKGUOBAEDE-UHFFFAOYSA-N 1 2 311.349 0.444 10 0 DCAELO CC(C)c1nnnn1CC(=O)N(C)c1ccc[nH+]c1N(C)C ZINC000079725675 286925180 /nfs/dbraw/zinc/92/51/80/286925180.db2.gz IDEBFJMUQAYSBV-UHFFFAOYSA-N 1 2 303.370 0.921 10 0 DCAELO COCCCCS(=O)(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000136107079 287025574 /nfs/dbraw/zinc/02/55/74/287025574.db2.gz DJPIJKXJNZDWTL-AWEZNQCLSA-N 1 2 322.471 0.689 10 0 DCAELO C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000246949687 287089328 /nfs/dbraw/zinc/08/93/28/287089328.db2.gz CTLRSBFMSKRCIF-FRRDWIJNSA-N 1 2 317.455 0.114 10 0 DCAELO C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000246949687 287089330 /nfs/dbraw/zinc/08/93/30/287089330.db2.gz CTLRSBFMSKRCIF-FRRDWIJNSA-N 1 2 317.455 0.114 10 0 DCAELO CC[C@@H]1CN(S(=O)(=O)N2CCC[C@H]2C)CC[N@@H+]1CCOC ZINC000248711304 287100172 /nfs/dbraw/zinc/10/01/72/287100172.db2.gz MVXHOXXBOABIOH-ZIAGYGMSSA-N 1 2 319.471 0.758 10 0 DCAELO CC[C@@H]1CN(S(=O)(=O)N2CCC[C@H]2C)CC[N@H+]1CCOC ZINC000248711304 287100175 /nfs/dbraw/zinc/10/01/75/287100175.db2.gz MVXHOXXBOABIOH-ZIAGYGMSSA-N 1 2 319.471 0.758 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)N2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000249183142 287107391 /nfs/dbraw/zinc/10/73/91/287107391.db2.gz NNRCGDLTNYCNDW-IHRRRGAJSA-N 1 2 319.471 0.350 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)N2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000249183142 287107392 /nfs/dbraw/zinc/10/73/92/287107392.db2.gz NNRCGDLTNYCNDW-IHRRRGAJSA-N 1 2 319.471 0.350 10 0 DCAELO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CCN(CCO)[C@@H](C)C1 ZINC000249576276 287114447 /nfs/dbraw/zinc/11/44/47/287114447.db2.gz PPWNRGPDKJCYRY-XUWVNRHRSA-N 1 2 311.470 0.878 10 0 DCAELO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CCN(CCO)[C@@H](C)C1 ZINC000249576276 287114448 /nfs/dbraw/zinc/11/44/48/287114448.db2.gz PPWNRGPDKJCYRY-XUWVNRHRSA-N 1 2 311.470 0.878 10 0 DCAELO C[C@@H]1C[N@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C[C@@H](CO)O1 ZINC000249439445 287110906 /nfs/dbraw/zinc/11/09/06/287110906.db2.gz SSLAUYGTPCSNPG-UTUOFQBUSA-N 1 2 324.343 0.869 10 0 DCAELO C[C@@H]1C[N@@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C[C@@H](CO)O1 ZINC000249439445 287110908 /nfs/dbraw/zinc/11/09/08/287110908.db2.gz SSLAUYGTPCSNPG-UTUOFQBUSA-N 1 2 324.343 0.869 10 0 DCAELO CC[S@@](=O)c1ccccc1C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000249958356 287118752 /nfs/dbraw/zinc/11/87/52/287118752.db2.gz JJTXGDPCLXHXEQ-WHEQGISXSA-N 1 2 324.446 0.953 10 0 DCAELO CC[S@@](=O)c1ccccc1C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000249958356 287118755 /nfs/dbraw/zinc/11/87/55/287118755.db2.gz JJTXGDPCLXHXEQ-WHEQGISXSA-N 1 2 324.446 0.953 10 0 DCAELO CC(C)NC(=O)CCNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000045575955 415248503 /nfs/dbraw/zinc/24/85/03/415248503.db2.gz PCHWFRZWSFILRP-UHFFFAOYSA-N 1 2 307.398 0.862 10 0 DCAELO CCCC[N@H+](CC(N)=O)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000052704498 415317093 /nfs/dbraw/zinc/31/70/93/415317093.db2.gz NMIFUYBPFLFFEP-UONOGXRCSA-N 1 2 311.426 0.744 10 0 DCAELO CCCC[N@@H+](CC(N)=O)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000052704498 415317101 /nfs/dbraw/zinc/31/71/01/415317101.db2.gz NMIFUYBPFLFFEP-UONOGXRCSA-N 1 2 311.426 0.744 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2CCCc3cn[nH]c32)C[C@H]1C ZINC000273541352 415324012 /nfs/dbraw/zinc/32/40/12/415324012.db2.gz TWDQDXFBBGZEHG-DYEKYZERSA-N 1 2 321.425 0.884 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(C(=O)N[C@H]2CCCc3cn[nH]c32)C[C@H]1C ZINC000273541352 415324018 /nfs/dbraw/zinc/32/40/18/415324018.db2.gz TWDQDXFBBGZEHG-DYEKYZERSA-N 1 2 321.425 0.884 10 0 DCAELO CC(C)[N@H+](CC(=O)NC(N)=O)CC(=O)Nc1ccc(F)cc1 ZINC000071007307 415405934 /nfs/dbraw/zinc/40/59/34/415405934.db2.gz QXWFQXHMSWVDDI-UHFFFAOYSA-N 1 2 310.329 0.670 10 0 DCAELO CC(C)[N@@H+](CC(=O)NC(N)=O)CC(=O)Nc1ccc(F)cc1 ZINC000071007307 415405939 /nfs/dbraw/zinc/40/59/39/415405939.db2.gz QXWFQXHMSWVDDI-UHFFFAOYSA-N 1 2 310.329 0.670 10 0 DCAELO CC(C)[C@H]1OCC[C@@H]1CNC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000332841804 415493717 /nfs/dbraw/zinc/49/37/17/415493717.db2.gz DAZZACBOWXMQHN-LXTVHRRPSA-N 1 2 311.426 0.772 10 0 DCAELO CC(C)[C@H]1OCC[C@@H]1CNC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000332841804 415493723 /nfs/dbraw/zinc/49/37/23/415493723.db2.gz DAZZACBOWXMQHN-LXTVHRRPSA-N 1 2 311.426 0.772 10 0 DCAELO COCC[N@H+](CC(F)F)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000085793277 415503741 /nfs/dbraw/zinc/50/37/41/415503741.db2.gz NYQSGDSDDBLPAA-LLVKDONJSA-N 1 2 314.398 0.872 10 0 DCAELO COCC[N@@H+](CC(F)F)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000085793277 415503748 /nfs/dbraw/zinc/50/37/48/415503748.db2.gz NYQSGDSDDBLPAA-LLVKDONJSA-N 1 2 314.398 0.872 10 0 DCAELO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H]1CCO[C@H]1C1CC1 ZINC000333060691 415544950 /nfs/dbraw/zinc/54/49/50/415544950.db2.gz SFWXRAVPXZBTLA-SNPRPXQTSA-N 1 2 311.426 0.916 10 0 DCAELO CN(C(=O)[C@@H](Cc1ccccc1)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000106901599 415650852 /nfs/dbraw/zinc/65/08/52/415650852.db2.gz FRPNABMVOAPFTR-HUUCEWRRSA-N 1 2 324.446 0.805 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(-c3ncon3)cc2)C1 ZINC000107237213 415661593 /nfs/dbraw/zinc/66/15/93/415661593.db2.gz PYNDSZQUMKXRHZ-CYBMUJFWSA-N 1 2 302.334 0.797 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)c2ccc(-c3ncon3)cc2)C1 ZINC000107237213 415661598 /nfs/dbraw/zinc/66/15/98/415661598.db2.gz PYNDSZQUMKXRHZ-CYBMUJFWSA-N 1 2 302.334 0.797 10 0 DCAELO Cn1cc(Br)c(C(=O)NC[C@H]2C[N@H+](C)CCO2)n1 ZINC000292608450 415848989 /nfs/dbraw/zinc/84/89/89/415848989.db2.gz GQBKIYFZCJPDON-QMMMGPOBSA-N 1 2 317.187 0.243 10 0 DCAELO Cn1cc(Br)c(C(=O)NC[C@H]2C[N@@H+](C)CCO2)n1 ZINC000292608450 415848996 /nfs/dbraw/zinc/84/89/96/415848996.db2.gz GQBKIYFZCJPDON-QMMMGPOBSA-N 1 2 317.187 0.243 10 0 DCAELO CC(C)[C@H]1OCC[C@@H]1CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000334021029 415785919 /nfs/dbraw/zinc/78/59/19/415785919.db2.gz DAZZACBOWXMQHN-APIJFGDWSA-N 1 2 311.426 0.772 10 0 DCAELO CC(C)[C@H]1OCC[C@@H]1CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000334021029 415785921 /nfs/dbraw/zinc/78/59/21/415785921.db2.gz DAZZACBOWXMQHN-APIJFGDWSA-N 1 2 311.426 0.772 10 0 DCAELO Cc1nc(CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)no1 ZINC000121503510 415806576 /nfs/dbraw/zinc/80/65/76/415806576.db2.gz OIAUSQBBVOBIGW-NSHDSACASA-N 1 2 302.338 0.851 10 0 DCAELO COc1cnc(NC(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)nc1 ZINC000297105818 415951477 /nfs/dbraw/zinc/95/14/77/415951477.db2.gz MLYVUCNUDPNWKK-AAEUAGOBSA-N 1 2 321.381 0.670 10 0 DCAELO CC(C)[NH+]1CCN(S(=O)(=O)N2C[C@H](C)OC[C@H]2C)CC1 ZINC000173011898 416051316 /nfs/dbraw/zinc/05/13/16/416051316.db2.gz GGFYVNORYQRIBI-OLZOCXBDSA-N 1 2 305.444 0.366 10 0 DCAELO O=C(NCCCOCC1CC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173791121 416065415 /nfs/dbraw/zinc/06/54/15/416065415.db2.gz WFKYQOVCLNHWRI-OAHLLOKOSA-N 1 2 311.426 0.919 10 0 DCAELO CC(C)NC(=O)CCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173782997 416065621 /nfs/dbraw/zinc/06/56/21/416065621.db2.gz MFSRIZDJFWPCHR-CYBMUJFWSA-N 1 2 312.414 0.017 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)NCCCOC)nc[nH+]1 ZINC000174000750 416072115 /nfs/dbraw/zinc/07/21/15/416072115.db2.gz ICYYDTXTBZCANZ-LBPRGKRZSA-N 1 2 322.413 0.823 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)NCCCOC)[nH+]cn1 ZINC000174000750 416072117 /nfs/dbraw/zinc/07/21/17/416072117.db2.gz ICYYDTXTBZCANZ-LBPRGKRZSA-N 1 2 322.413 0.823 10 0 DCAELO CC(C)c1nnnn1CC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000174152758 416073517 /nfs/dbraw/zinc/07/35/17/416073517.db2.gz MCZXLDDNJFSCLY-UHFFFAOYSA-N 1 2 303.370 0.857 10 0 DCAELO C[C@H](NC(=O)CC(C)(C)C)C(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000356938809 416008709 /nfs/dbraw/zinc/00/87/09/416008709.db2.gz QHCQASQXTLTDAV-YNEHKIRRSA-N 1 2 311.426 0.469 10 0 DCAELO C[C@H](NC(=O)CC(C)(C)C)C(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000356938809 416008713 /nfs/dbraw/zinc/00/87/13/416008713.db2.gz QHCQASQXTLTDAV-YNEHKIRRSA-N 1 2 311.426 0.469 10 0 DCAELO C[C@H]([NH2+]Cc1nc(N)nc(N)n1)c1ccc2c(c1)OCCO2 ZINC000170738893 416030344 /nfs/dbraw/zinc/03/03/44/416030344.db2.gz GWXIYPWTCBOGIK-QMMMGPOBSA-N 1 2 302.338 0.658 10 0 DCAELO CC(C)OCCS(=O)(=O)NCc1ccc[nH+]c1N(C)C ZINC000175077238 416095111 /nfs/dbraw/zinc/09/51/11/416095111.db2.gz NVNLNDZLOQYVPK-UHFFFAOYSA-N 1 2 301.412 0.992 10 0 DCAELO COc1ccnc(N2CC[NH+]([C@H](C)C(=O)N(C)C(C)C)CC2)n1 ZINC000175184038 416099504 /nfs/dbraw/zinc/09/95/04/416099504.db2.gz DRFGZVCDYOBTOG-CYBMUJFWSA-N 1 2 321.425 0.863 10 0 DCAELO COc1cc2nc(NCCc3cn[nH]c3)[nH+]c(N)c2cc1OC ZINC000357622245 416107192 /nfs/dbraw/zinc/10/71/92/416107192.db2.gz MSBGZVBQAPCYJF-UHFFFAOYSA-N 1 2 314.349 1.029 10 0 DCAELO O=C(CCc1nnc[nH]1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000175877940 416116008 /nfs/dbraw/zinc/11/60/08/416116008.db2.gz KBBXYKAYCKIVFR-ZDUSSCGKSA-N 1 2 307.398 0.451 10 0 DCAELO O=C(CCc1nc[nH]n1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000175877940 416116012 /nfs/dbraw/zinc/11/60/12/416116012.db2.gz KBBXYKAYCKIVFR-ZDUSSCGKSA-N 1 2 307.398 0.451 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[C@](O)(C(F)(F)F)C2)C1 ZINC000176051883 416118346 /nfs/dbraw/zinc/11/83/46/416118346.db2.gz PZMSDJUDVKZJMT-GXSJLCMTSA-N 1 2 311.304 0.026 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)N2CC[C@](O)(C(F)(F)F)C2)C1 ZINC000176051883 416118352 /nfs/dbraw/zinc/11/83/52/416118352.db2.gz PZMSDJUDVKZJMT-GXSJLCMTSA-N 1 2 311.304 0.026 10 0 DCAELO CCC(=O)N1CCC[C@H](C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)C1 ZINC000328902154 416137255 /nfs/dbraw/zinc/13/72/55/416137255.db2.gz GGXHQUAXBIVESS-SOUVJXGZSA-N 1 2 323.437 0.567 10 0 DCAELO CCC(=O)N1CCC[C@H](C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)C1 ZINC000328902154 416137258 /nfs/dbraw/zinc/13/72/58/416137258.db2.gz GGXHQUAXBIVESS-SOUVJXGZSA-N 1 2 323.437 0.567 10 0 DCAELO Cc1cc(NC(=O)CN2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n(C)n1 ZINC000177257821 416143933 /nfs/dbraw/zinc/14/39/33/416143933.db2.gz YRQUDJGDJUTNIE-GXTWGEPZSA-N 1 2 321.425 0.320 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)C1 ZINC000177498873 416145962 /nfs/dbraw/zinc/14/59/62/416145962.db2.gz KQYOHKOPSLVEFG-ZIAGYGMSSA-N 1 2 307.398 0.388 10 0 DCAELO CN1CCO[C@H](CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)C1 ZINC000177498873 416145969 /nfs/dbraw/zinc/14/59/69/416145969.db2.gz KQYOHKOPSLVEFG-ZIAGYGMSSA-N 1 2 307.398 0.388 10 0 DCAELO CO[C@@H](C)c1nc(C)c(C(=O)NC[C@H]2C[NH+]3CCN2CC3)s1 ZINC000178732257 416170483 /nfs/dbraw/zinc/17/04/83/416170483.db2.gz CXZFVAVOSLIGJU-RYUDHWBXSA-N 1 2 324.450 0.889 10 0 DCAELO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1cc(F)c(F)c(F)c1F ZINC000178726144 416170715 /nfs/dbraw/zinc/17/07/15/416170715.db2.gz AJZMLRKGEMTARI-QMMMGPOBSA-N 1 2 317.286 0.973 10 0 DCAELO O=C(NC[C@H]1C[NH+]2CCN1CC2)C(=O)Nc1ccc(Cl)cc1 ZINC000178960686 416179737 /nfs/dbraw/zinc/17/97/37/416179737.db2.gz ZKWHTNCKOFYOMF-ZDUSSCGKSA-N 1 2 322.796 0.395 10 0 DCAELO Cn1ncc2c1ncc(C(=O)N1CC[N@@H+]3CCCC[C@@H]3C1)c2O ZINC000179459291 416188400 /nfs/dbraw/zinc/18/84/00/416188400.db2.gz KKXQPQPEHVVUNZ-LLVKDONJSA-N 1 2 315.377 0.984 10 0 DCAELO Cn1ncc2c1ncc(C(=O)N1CC[N@H+]3CCCC[C@@H]3C1)c2O ZINC000179459291 416188402 /nfs/dbraw/zinc/18/84/02/416188402.db2.gz KKXQPQPEHVVUNZ-LLVKDONJSA-N 1 2 315.377 0.984 10 0 DCAELO COCc1ccsc1C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000179885358 416192763 /nfs/dbraw/zinc/19/27/63/416192763.db2.gz GCYRKVNDBGGUEG-LBPRGKRZSA-N 1 2 314.407 0.317 10 0 DCAELO C[C@H](O)CN(C(=O)NCc1ccc[nH+]c1N(C)C)[C@@H](C)CO ZINC000190277991 416277844 /nfs/dbraw/zinc/27/78/44/416277844.db2.gz JKUXDAFXJXYLSO-RYUDHWBXSA-N 1 2 310.398 0.421 10 0 DCAELO Cc1cc(N2CC[NH+](Cc3cc(=O)n4nccc4[nH]3)CC2)n[nH]1 ZINC000187195335 416261167 /nfs/dbraw/zinc/26/11/67/416261167.db2.gz BWTWQOKKRVDAPE-UHFFFAOYSA-N 1 2 313.365 0.376 10 0 DCAELO CCC(CC)[C@@H](C(=O)Nc1nc(OC)n[nH]1)[NH+]1CCOCC1 ZINC000183002786 416235368 /nfs/dbraw/zinc/23/53/68/416235368.db2.gz JWKRUVSOUJDFRR-NSHDSACASA-N 1 2 311.386 0.889 10 0 DCAELO CN1CC[C@@H](C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)CC1=O ZINC000194658309 416324286 /nfs/dbraw/zinc/32/42/86/416324286.db2.gz ZXCSZGKPUFQHRE-CYBMUJFWSA-N 1 2 313.361 0.752 10 0 DCAELO Cn1cc(NC(=O)[C@@H]2COCC[NH2+]2)cc(Br)c1=O ZINC000237795282 416328948 /nfs/dbraw/zinc/32/89/48/416328948.db2.gz QBJUOOQPHLMGMQ-VIFPVBQESA-N 1 2 316.155 0.075 10 0 DCAELO Cn1cc(NC(=O)[C@H]2COCC[NH2+]2)cc(Br)c1=O ZINC000237796003 416329011 /nfs/dbraw/zinc/32/90/11/416329011.db2.gz QBJUOOQPHLMGMQ-SECBINFHSA-N 1 2 316.155 0.075 10 0 DCAELO CN1CN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1=O ZINC000360681969 416402864 /nfs/dbraw/zinc/40/28/64/416402864.db2.gz KZHIKJFEDCHRDH-UHFFFAOYSA-N 1 2 313.361 0.873 10 0 DCAELO COc1ccccc1Nc1nc(N)nc(C[N@H+](C)CCCO)n1 ZINC000440957762 416655971 /nfs/dbraw/zinc/65/59/71/416655971.db2.gz QGONVJVHMVSHHK-UHFFFAOYSA-N 1 2 318.381 0.442 10 0 DCAELO COc1ccccc1Nc1nc(N)nc(C[N@@H+](C)CCCO)n1 ZINC000440957762 416655973 /nfs/dbraw/zinc/65/59/73/416655973.db2.gz QGONVJVHMVSHHK-UHFFFAOYSA-N 1 2 318.381 0.442 10 0 DCAELO CCc1nc(C(C)(C)[NH2+]CCCS(=O)(=O)N(C)C)no1 ZINC000441234012 416665633 /nfs/dbraw/zinc/66/56/33/416665633.db2.gz POIFGMWGWLSIHT-UHFFFAOYSA-N 1 2 304.416 0.738 10 0 DCAELO CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623275237 416789795 /nfs/dbraw/zinc/78/97/95/416789795.db2.gz CZZUTKHRRZWFFX-DOTOQJQBSA-N 1 2 324.384 0.897 10 0 DCAELO C[C@H](CNC(=O)N1CCC[C@@H](c2nnc[nH]2)C1)[NH+]1CCOCC1 ZINC000370118013 416882966 /nfs/dbraw/zinc/88/29/66/416882966.db2.gz ZJLCESLEHQOOGG-CHWSQXEVSA-N 1 2 322.413 0.414 10 0 DCAELO O=S(=O)(c1ccccc1)N1CC[NH2+]C[C@H]1c1ncccn1 ZINC000616605190 417084131 /nfs/dbraw/zinc/08/41/31/417084131.db2.gz VRUQEJFKKHCQKT-ZDUSSCGKSA-N 1 2 304.375 0.812 10 0 DCAELO CCOC(=O)[C@@H]1C[N@H+](CC(=O)NCC(F)(F)F)CC12COC2 ZINC000451131900 417301631 /nfs/dbraw/zinc/30/16/31/417301631.db2.gz HSXAZULNBVMKOI-VIFPVBQESA-N 1 2 324.299 0.176 10 0 DCAELO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)NCC(F)(F)F)CC12COC2 ZINC000451131900 417301637 /nfs/dbraw/zinc/30/16/37/417301637.db2.gz HSXAZULNBVMKOI-VIFPVBQESA-N 1 2 324.299 0.176 10 0 DCAELO CCOC(=O)[C@H]1C[N@H+](Cc2oncc2C(=O)OC)CC12COC2 ZINC000451138578 417304966 /nfs/dbraw/zinc/30/49/66/417304966.db2.gz QNYBGPFWRVGPHE-LLVKDONJSA-N 1 2 324.333 0.473 10 0 DCAELO CCOC(=O)[C@H]1C[N@@H+](Cc2oncc2C(=O)OC)CC12COC2 ZINC000451138578 417304974 /nfs/dbraw/zinc/30/49/74/417304974.db2.gz QNYBGPFWRVGPHE-LLVKDONJSA-N 1 2 324.333 0.473 10 0 DCAELO CCOC(=O)[C@@H]1C[N@H+](Cc2nc(CC)cc(=O)[nH]2)CC12COC2 ZINC000451141681 417306101 /nfs/dbraw/zinc/30/61/01/417306101.db2.gz VRVWIBOREWBXRC-LBPRGKRZSA-N 1 2 321.377 0.756 10 0 DCAELO CCOC(=O)[C@@H]1C[N@@H+](Cc2nc(CC)cc(=O)[nH]2)CC12COC2 ZINC000451141681 417306108 /nfs/dbraw/zinc/30/61/08/417306108.db2.gz VRVWIBOREWBXRC-LBPRGKRZSA-N 1 2 321.377 0.756 10 0 DCAELO CC(=O)N1CCC[C@@H](CNC(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000530302732 417565148 /nfs/dbraw/zinc/56/51/48/417565148.db2.gz YSEYSLHXXNZRGH-HNNXBMFYSA-N 1 2 323.437 0.616 10 0 DCAELO COC(=O)c1cnc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)nc1 ZINC000576950050 417650710 /nfs/dbraw/zinc/65/07/10/417650710.db2.gz BONCSUZRBUDHLE-YPMHNXCESA-N 1 2 306.366 0.420 10 0 DCAELO CO[C@H](C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C)C1CC1 ZINC000628575010 417655019 /nfs/dbraw/zinc/65/50/19/417655019.db2.gz FKKXRZYGWUUVBV-XJKSGUPXSA-N 1 2 312.410 0.143 10 0 DCAELO CO[C@H](C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C)C1CC1 ZINC000628575010 417655023 /nfs/dbraw/zinc/65/50/23/417655023.db2.gz FKKXRZYGWUUVBV-XJKSGUPXSA-N 1 2 312.410 0.143 10 0 DCAELO CO[C@H](C(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C)C1CC1 ZINC000628575007 417656340 /nfs/dbraw/zinc/65/63/40/417656340.db2.gz FKKXRZYGWUUVBV-BBRMVZONSA-N 1 2 312.410 0.143 10 0 DCAELO CO[C@H](C(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C)C1CC1 ZINC000628575007 417656346 /nfs/dbraw/zinc/65/63/46/417656346.db2.gz FKKXRZYGWUUVBV-BBRMVZONSA-N 1 2 312.410 0.143 10 0 DCAELO CC/C=C/CC[NH+]1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000184418043 261118685 /nfs/dbraw/zinc/11/86/85/261118685.db2.gz PRAPJABVDKEDDJ-ONEGZZNKSA-N 1 2 317.455 0.537 10 0 DCAELO Cc1nc(C)c(C(=O)N2CC[NH+]([C@@H]3CCCCNC3=O)CC2)o1 ZINC000363040513 262095801 /nfs/dbraw/zinc/09/58/01/262095801.db2.gz WLQOPANLJWDOSU-CYBMUJFWSA-N 1 2 320.393 0.718 10 0 DCAELO CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCN(C(C)(C)C(=O)OC)CC1 ZINC000494449047 272222283 /nfs/dbraw/zinc/22/22/83/272222283.db2.gz XQGDNCNOXPSQJG-CHWSQXEVSA-N 1 2 313.442 0.859 10 0 DCAELO CC(=O)N1CCC[C@H](C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000172766185 276980341 /nfs/dbraw/zinc/98/03/41/276980341.db2.gz PHQPNFNROLRITD-GJZGRUSLSA-N 1 2 309.410 0.178 10 0 DCAELO CC(C)n1nnnc1C[N@@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000408045940 278154889 /nfs/dbraw/zinc/15/48/89/278154889.db2.gz ABYMKAPIEUTVNN-OAHLLOKOSA-N 1 2 322.413 0.203 10 0 DCAELO CC(C)n1nnnc1C[N@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000408045940 278154891 /nfs/dbraw/zinc/15/48/91/278154891.db2.gz ABYMKAPIEUTVNN-OAHLLOKOSA-N 1 2 322.413 0.203 10 0 DCAELO C[C@H]1CN(C(=O)c2ccc3n[nH]nc3c2)C[C@@H]1[NH+]1CCOCC1 ZINC000173973418 278414334 /nfs/dbraw/zinc/41/43/34/278414334.db2.gz HUFQETAETSPBFZ-NHYWBVRUSA-N 1 2 315.377 0.751 10 0 DCAELO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCCN1c1nccs1 ZINC000547794717 288079996 /nfs/dbraw/zinc/07/99/96/288079996.db2.gz PONKZUFFOGNFLZ-CHWSQXEVSA-N 1 2 324.450 0.949 10 0 DCAELO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCCN1c1nccs1 ZINC000547794717 288079997 /nfs/dbraw/zinc/07/99/97/288079997.db2.gz PONKZUFFOGNFLZ-CHWSQXEVSA-N 1 2 324.450 0.949 10 0 DCAELO Cn1cc(N2CCC[C@@H]([N@@H+]3CCc4cncnc4C3)C2=O)cn1 ZINC000329626263 279339277 /nfs/dbraw/zinc/33/92/77/279339277.db2.gz TWMQCRCEYPILAV-OAHLLOKOSA-N 1 2 312.377 0.764 10 0 DCAELO Cn1cc(N2CCC[C@@H]([N@H+]3CCc4cncnc4C3)C2=O)cn1 ZINC000329626263 279339280 /nfs/dbraw/zinc/33/92/80/279339280.db2.gz TWMQCRCEYPILAV-OAHLLOKOSA-N 1 2 312.377 0.764 10 0 DCAELO CC(C)[C@H]([NH2+]Cc1nc(N(C)C)no1)C(=O)N1CCOCC1 ZINC000192784535 280327783 /nfs/dbraw/zinc/32/77/83/280327783.db2.gz AIQCIEFYYBAKPM-LBPRGKRZSA-N 1 2 311.386 0.109 10 0 DCAELO C[C@@H]1C[N@@H+]([C@H]2CCc3ccccc3NC2=O)C[C@@H](C(N)=O)O1 ZINC000248905766 288254638 /nfs/dbraw/zinc/25/46/38/288254638.db2.gz WMLGOPPWESENIC-SWHYSGLUSA-N 1 2 303.362 0.515 10 0 DCAELO C[C@@H]1C[N@H+]([C@H]2CCc3ccccc3NC2=O)C[C@@H](C(N)=O)O1 ZINC000248905766 288254639 /nfs/dbraw/zinc/25/46/39/288254639.db2.gz WMLGOPPWESENIC-SWHYSGLUSA-N 1 2 303.362 0.515 10 0 DCAELO CC[C@@H](O)CCCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000552736388 288279710 /nfs/dbraw/zinc/27/97/10/288279710.db2.gz PFJPJYOYHSFZGH-GFCCVEGCSA-N 1 2 304.350 0.940 10 0 DCAELO CC(C)[C@H](CCO)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000553101044 288287231 /nfs/dbraw/zinc/28/72/31/288287231.db2.gz MNKJLBXZUIROML-LBPRGKRZSA-N 1 2 304.350 0.796 10 0 DCAELO C[C@H](C(=O)N1CCC(C)CC1)[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329157938 298007757 /nfs/dbraw/zinc/00/77/57/298007757.db2.gz DHTIYQZQEFLFOK-HZSPNIEDSA-N 1 2 314.451 0.752 10 0 DCAELO C[C@H](C(=O)N1CCC(C)CC1)[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329157938 298007759 /nfs/dbraw/zinc/00/77/59/298007759.db2.gz DHTIYQZQEFLFOK-HZSPNIEDSA-N 1 2 314.451 0.752 10 0 DCAELO COC(=O)c1cnc(N2CCCC[C@@H]2C[NH+]2CCOCC2)nc1 ZINC000584305375 332235107 /nfs/dbraw/zinc/23/51/07/332235107.db2.gz OASZAJNBWPYYBL-CQSZACIVSA-N 1 2 320.393 0.954 10 0 DCAELO COCC[N@@H+]1CCN(C(=O)c2cccc3n[nH]nc32)C[C@@H]1C ZINC000188047351 333019359 /nfs/dbraw/zinc/01/93/59/333019359.db2.gz WKQMSXFJAWRTTJ-NSHDSACASA-N 1 2 303.366 0.751 10 0 DCAELO COCC[N@H+]1CCN(C(=O)c2cccc3n[nH]nc32)C[C@@H]1C ZINC000188047351 333019360 /nfs/dbraw/zinc/01/93/60/333019360.db2.gz WKQMSXFJAWRTTJ-NSHDSACASA-N 1 2 303.366 0.751 10 0 DCAELO COCC[N@@H+]1CCN(C(=O)c2cccc3nn[nH]c32)C[C@@H]1C ZINC000188047351 333019361 /nfs/dbraw/zinc/01/93/61/333019361.db2.gz WKQMSXFJAWRTTJ-NSHDSACASA-N 1 2 303.366 0.751 10 0 DCAELO COCC[N@H+]1CCN(C(=O)c2cccc3nn[nH]c32)C[C@@H]1C ZINC000188047351 333019362 /nfs/dbraw/zinc/01/93/62/333019362.db2.gz WKQMSXFJAWRTTJ-NSHDSACASA-N 1 2 303.366 0.751 10 0 DCAELO COC(=O)Cn1ncc2c1nc[nH+]c2N[C@H](C)c1nc[nH]n1 ZINC000302013429 533832474 /nfs/dbraw/zinc/83/24/74/533832474.db2.gz BEYXFEOFUKOABA-SSDOTTSWSA-N 1 2 302.298 0.291 10 0 DCAELO C[C@H](O)C1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000155201586 534050483 /nfs/dbraw/zinc/05/04/83/534050483.db2.gz QBKXUFXPJULMOF-ZDUSSCGKSA-N 1 2 313.442 0.900 10 0 DCAELO C[C@@H]1CN(C(=O)c2ncn(-c3ccccc3)n2)CC[N@@H+]1CCO ZINC000187129740 534434344 /nfs/dbraw/zinc/43/43/44/534434344.db2.gz CXPRRGXEBLUZHM-CYBMUJFWSA-N 1 2 315.377 0.406 10 0 DCAELO C[C@@H]1CN(C(=O)c2ncn(-c3ccccc3)n2)CC[N@H+]1CCO ZINC000187129740 534434349 /nfs/dbraw/zinc/43/43/49/534434349.db2.gz CXPRRGXEBLUZHM-CYBMUJFWSA-N 1 2 315.377 0.406 10 0 DCAELO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NC)CCN1CC(F)F ZINC000245724096 523468957 /nfs/dbraw/zinc/46/89/57/523468957.db2.gz HZCAUYBPJQWJLY-NXEZZACHSA-N 1 2 306.357 0.492 10 0 DCAELO CC[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NC)CCN1CC(F)F ZINC000245724096 523468965 /nfs/dbraw/zinc/46/89/65/523468965.db2.gz HZCAUYBPJQWJLY-NXEZZACHSA-N 1 2 306.357 0.492 10 0 DCAELO CN1C[C@H](NC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)CCC1=O ZINC000158048298 524023090 /nfs/dbraw/zinc/02/30/90/524023090.db2.gz LEMJVPBMYAGNFC-OCCSQVGLSA-N 1 2 318.377 0.865 10 0 DCAELO C[C@H](Cc1cccc(F)c1)C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000132289519 524714831 /nfs/dbraw/zinc/71/48/31/524714831.db2.gz CTEIOFMCOBQCHI-CJNGLKHVSA-N 1 2 324.396 0.814 10 0 DCAELO Cc1ccc(F)cc1S(=O)(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000249477108 524871948 /nfs/dbraw/zinc/87/19/48/524871948.db2.gz UMUBLMDHMURPJD-LBPRGKRZSA-N 1 2 316.398 0.821 10 0 DCAELO Cc1ccc(F)cc1S(=O)(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000249477108 524871958 /nfs/dbraw/zinc/87/19/58/524871958.db2.gz UMUBLMDHMURPJD-LBPRGKRZSA-N 1 2 316.398 0.821 10 0 DCAELO CC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@](O)(C(N)=O)C2)c1 ZINC000285254987 534892102 /nfs/dbraw/zinc/89/21/02/534892102.db2.gz ZGUDHQGWOPFQDT-QFYYESIMSA-N 1 2 319.361 0.138 10 0 DCAELO CC(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@@](O)(C(N)=O)C2)c1 ZINC000285254987 534892103 /nfs/dbraw/zinc/89/21/03/534892103.db2.gz ZGUDHQGWOPFQDT-QFYYESIMSA-N 1 2 319.361 0.138 10 0 DCAELO C[C@H]([C@H](C)NC(=O)NC[C@@H]1CCCC[C@@H]1O)[NH+]1CCOCC1 ZINC000154768995 526028516 /nfs/dbraw/zinc/02/85/16/526028516.db2.gz ISSFUSZTOMYULB-XGUBFFRZSA-N 1 2 313.442 0.946 10 0 DCAELO CC(=O)[C@](C)(O)C[NH+]1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000330875951 527154718 /nfs/dbraw/zinc/15/47/18/527154718.db2.gz WROCGGRPBAQZRW-MRXNPFEDSA-N 1 2 306.362 0.490 10 0 DCAELO CC(=O)c1ccc(C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1O ZINC000331314201 527244432 /nfs/dbraw/zinc/24/44/32/527244432.db2.gz CPAFPDDANBUABO-LLVKDONJSA-N 1 2 306.362 0.733 10 0 DCAELO CC(=O)c1ccc(C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1O ZINC000331314201 527244437 /nfs/dbraw/zinc/24/44/37/527244437.db2.gz CPAFPDDANBUABO-LLVKDONJSA-N 1 2 306.362 0.733 10 0 DCAELO O=C(NC1C[NH+](C[C@H](O)COCc2ccccc2F)C1)C1CC1 ZINC000187978378 527543126 /nfs/dbraw/zinc/54/31/26/527543126.db2.gz LPRGKUQZGOZZDT-HNNXBMFYSA-N 1 2 322.380 0.914 10 0 DCAELO CCN(CC)S(=O)(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000173896070 528212204 /nfs/dbraw/zinc/21/22/04/528212204.db2.gz AMZBOAOQOJLYQD-AWEZNQCLSA-N 1 2 319.471 0.760 10 0 DCAELO Cc1noc(C)c1S(=O)(=O)N(C)C[C@H]1C[N@@H+](C)CCO1 ZINC000074775087 545670998 /nfs/dbraw/zinc/67/09/98/545670998.db2.gz FEZZBURHJXLLIA-LLVKDONJSA-N 1 2 303.384 0.243 10 0 DCAELO Cc1noc(C)c1S(=O)(=O)N(C)C[C@H]1C[N@H+](C)CCO1 ZINC000074775087 545670994 /nfs/dbraw/zinc/67/09/94/545670994.db2.gz FEZZBURHJXLLIA-LLVKDONJSA-N 1 2 303.384 0.243 10 0 DCAELO O=C1CCN(C[C@@H](O)C[NH+]2CCOCC2)c2ccccc2N1 ZINC000121980388 545749873 /nfs/dbraw/zinc/74/98/73/545749873.db2.gz GNSPOYWWNVWDAZ-ZDUSSCGKSA-N 1 2 305.378 0.528 10 0 DCAELO O=C(CC[C@@H]1CCCCO1)NC[C@H](O)C[NH+]1CCOCC1 ZINC000132358798 545793199 /nfs/dbraw/zinc/79/31/99/545793199.db2.gz RQRYIAWGVAAIND-KBPBESRZSA-N 1 2 300.399 0.145 10 0 DCAELO C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)[C@@]2(O)CCSC2)C1 ZINC000275510624 545993900 /nfs/dbraw/zinc/99/39/00/545993900.db2.gz AXOCGFKKVHTHIK-SWLSCSKDSA-N 1 2 322.434 0.377 10 0 DCAELO C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)[C@@]2(O)CCSC2)C1 ZINC000275510624 545993907 /nfs/dbraw/zinc/99/39/07/545993907.db2.gz AXOCGFKKVHTHIK-SWLSCSKDSA-N 1 2 322.434 0.377 10 0 DCAELO Cc1nc(N2CC[C@@](O)(C(N)=O)C2)c(Br)c(C)[nH+]1 ZINC000323126157 546036155 /nfs/dbraw/zinc/03/61/55/546036155.db2.gz UYWIOSVEIDJXAX-NSHDSACASA-N 1 2 315.171 0.282 10 0 DCAELO C[C@@H](NC(=O)C1CCCC1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000332902416 546065138 /nfs/dbraw/zinc/06/51/38/546065138.db2.gz PSLZDGXCPUWKPA-UKRRQHHQSA-N 1 2 323.437 0.614 10 0 DCAELO COCC[N@@H+]1CC[C@H](N[C@@H]2CON(C(=O)OC(C)(C)C)C2)C1 ZINC000722503558 661283113 /nfs/dbraw/zinc/28/31/13/661283113.db2.gz WCUCOQZZPYHUIG-STQMWFEESA-N 1 2 315.414 0.848 10 0 DCAELO COCC[N@H+]1CC[C@H](N[C@@H]2CON(C(=O)OC(C)(C)C)C2)C1 ZINC000722503558 661283116 /nfs/dbraw/zinc/28/31/16/661283116.db2.gz WCUCOQZZPYHUIG-STQMWFEESA-N 1 2 315.414 0.848 10 0 DCAELO CC(C)[C@H](C)NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000069043755 665462597 /nfs/dbraw/zinc/46/25/97/665462597.db2.gz JKPQVOFABHDTLF-LBPRGKRZSA-N 1 2 319.471 0.839 10 0 DCAELO CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000729448861 662888971 /nfs/dbraw/zinc/88/89/71/662888971.db2.gz DPDLOZACRMVVOY-GMXVVIOVSA-N 1 2 315.439 0.133 10 0 DCAELO C[C@@H]1C[N@H+](C)C[C@@H](C(=O)NCCN=S2(=O)CCCC2)O1 ZINC000898433253 663090619 /nfs/dbraw/zinc/09/06/19/663090619.db2.gz PSWAZPDKHYIROL-NEPJUHHUSA-N 1 2 303.428 0.084 10 0 DCAELO C[C@@H]1C[N@@H+](C)C[C@@H](C(=O)NCCN=S2(=O)CCCC2)O1 ZINC000898433253 663090620 /nfs/dbraw/zinc/09/06/20/663090620.db2.gz PSWAZPDKHYIROL-NEPJUHHUSA-N 1 2 303.428 0.084 10 0 DCAELO CC[S@](=O)CCNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000735090619 666949862 /nfs/dbraw/zinc/94/98/62/666949862.db2.gz FOAIMIAKRQTTRF-NRFANRHFSA-N 1 2 312.439 0.830 10 0 DCAELO C[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000187301094 668254341 /nfs/dbraw/zinc/25/43/41/668254341.db2.gz ZQWZZXCUJCBUGY-SNVBAGLBSA-N 1 2 311.313 0.873 10 0 DCAELO C[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000187301094 668254344 /nfs/dbraw/zinc/25/43/44/668254344.db2.gz ZQWZZXCUJCBUGY-SNVBAGLBSA-N 1 2 311.313 0.873 10 0 DCAELO Cn1cc(C[N@@H+]2CCC(CO)(CO)C2)c(Br)n1 ZINC000714096816 670178428 /nfs/dbraw/zinc/17/84/28/670178428.db2.gz NKVFPTHZRVVWJQ-UHFFFAOYSA-N 1 2 304.188 0.359 10 0 DCAELO Cn1cc(C[N@H+]2CCC(CO)(CO)C2)c(Br)n1 ZINC000714096816 670178429 /nfs/dbraw/zinc/17/84/29/670178429.db2.gz NKVFPTHZRVVWJQ-UHFFFAOYSA-N 1 2 304.188 0.359 10 0 DCAELO CCCn1cc([C@H](C)[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)nn1 ZINC000715917872 670225782 /nfs/dbraw/zinc/22/57/82/670225782.db2.gz BZCRROLROYFYBB-WDEREUQCSA-N 1 2 301.416 0.373 10 0 DCAELO Brc1c[nH]c(CNCCC[NH+]2CCOCC2)n1 ZINC000383306279 685242360 /nfs/dbraw/zinc/24/23/60/685242360.db2.gz PWRPVNHESRPWBV-UHFFFAOYSA-N 1 2 303.204 0.984 10 0 DCAELO CC(C)[C@H](NC(N)=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000049934996 1171710123 /nfs/dbraw/zinc/71/01/23/1171710123.db2.gz SKFHBZHGQUWRSQ-ZDUSSCGKSA-N 1 2 305.382 0.423 10 0 DCAELO Cc1n[nH]cc1CCCNC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000079129318 185159582 /nfs/dbraw/zinc/15/95/82/185159582.db2.gz DGPZHJWXONBMPY-GFCCVEGCSA-N 1 2 309.414 0.671 10 0 DCAELO O=C1NC[C@@]2(CCC[N@H+](Cc3nc4ccccc4[nH]c3=O)C2)O1 ZINC000072163874 191063019 /nfs/dbraw/zinc/06/30/19/191063019.db2.gz YVLGYARLBPHCDC-MRXNPFEDSA-N 1 2 314.345 0.998 10 0 DCAELO O=C1NC[C@@]2(CCC[N@@H+](Cc3nc4ccccc4[nH]c3=O)C2)O1 ZINC000072163874 191063020 /nfs/dbraw/zinc/06/30/20/191063020.db2.gz YVLGYARLBPHCDC-MRXNPFEDSA-N 1 2 314.345 0.998 10 0 DCAELO CCS(=O)(=O)NCC[N@@H+]1C[C@@H](O)C[C@H]1c1ccc(F)cc1 ZINC000253394578 186304186 /nfs/dbraw/zinc/30/41/86/186304186.db2.gz GVKSXEMSIJZUPF-KBPBESRZSA-N 1 2 316.398 0.873 10 0 DCAELO CCS(=O)(=O)NCC[N@H+]1C[C@@H](O)C[C@H]1c1ccc(F)cc1 ZINC000253394578 186304187 /nfs/dbraw/zinc/30/41/87/186304187.db2.gz GVKSXEMSIJZUPF-KBPBESRZSA-N 1 2 316.398 0.873 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2csnn2)nc[nH+]1 ZINC000173415941 198212605 /nfs/dbraw/zinc/21/26/05/198212605.db2.gz FKTMZKWYWPSMIT-SECBINFHSA-N 1 2 319.394 0.769 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2csnn2)[nH+]cn1 ZINC000173415941 198212606 /nfs/dbraw/zinc/21/26/06/198212606.db2.gz FKTMZKWYWPSMIT-SECBINFHSA-N 1 2 319.394 0.769 10 0 DCAELO Cc1ccc(NC(=O)C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)c(C)[nH+]1 ZINC000163680500 237113702 /nfs/dbraw/zinc/11/37/02/237113702.db2.gz GVMMGGBENMYUFZ-CMPLNLGQSA-N 1 2 318.377 0.749 10 0 DCAELO Cc1ccc(NC(=O)C(=O)N2C[C@H](C(N)=O)CC[C@H]2C)c(C)[nH+]1 ZINC000163680747 237116152 /nfs/dbraw/zinc/11/61/52/237116152.db2.gz GVMMGGBENMYUFZ-ZYHUDNBSSA-N 1 2 318.377 0.749 10 0 DCAELO CNC(=O)[C@H](NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1)C(C)C ZINC000187658826 200140581 /nfs/dbraw/zinc/14/05/81/200140581.db2.gz DSZFPJRETLOEJG-UONOGXRCSA-N 1 2 311.426 0.374 10 0 DCAELO CNC(=O)[C@H](NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1)C(C)C ZINC000187658826 200140582 /nfs/dbraw/zinc/14/05/82/200140582.db2.gz DSZFPJRETLOEJG-UONOGXRCSA-N 1 2 311.426 0.374 10 0 DCAELO C[C@H]1CN(C(=O)CSCC(F)(F)F)CC[N@@H+]1CCO ZINC000188798796 237380577 /nfs/dbraw/zinc/38/05/77/237380577.db2.gz RPDYKWNMSHXQPV-VIFPVBQESA-N 1 2 300.346 0.807 10 0 DCAELO C[C@H]1CN(C(=O)CSCC(F)(F)F)CC[N@H+]1CCO ZINC000188798796 237380581 /nfs/dbraw/zinc/38/05/81/237380581.db2.gz RPDYKWNMSHXQPV-VIFPVBQESA-N 1 2 300.346 0.807 10 0 DCAELO CN(C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C)C(=O)[C@@H]1CCCO1 ZINC000281144892 216108935 /nfs/dbraw/zinc/10/89/35/216108935.db2.gz HXPWGTYCSKLOFC-IHRRRGAJSA-N 1 2 324.400 0.970 10 0 DCAELO C[C@H](C(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1)c1ccccc1 ZINC000276658176 238323486 /nfs/dbraw/zinc/32/34/86/238323486.db2.gz YPLQLHQJMFQQNC-ZFWWWQNUSA-N 1 2 319.405 0.435 10 0 DCAELO C[C@H](C(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1)c1ccccc1 ZINC000276658176 238323492 /nfs/dbraw/zinc/32/34/92/238323492.db2.gz YPLQLHQJMFQQNC-ZFWWWQNUSA-N 1 2 319.405 0.435 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(Br)nc2)C1 ZINC000091667871 193087905 /nfs/dbraw/zinc/08/79/05/193087905.db2.gz MFWCAYJHTPBLRO-JTQLQIEISA-N 1 2 314.183 0.905 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(Br)nc2)C1 ZINC000091667871 193087907 /nfs/dbraw/zinc/08/79/07/193087907.db2.gz MFWCAYJHTPBLRO-JTQLQIEISA-N 1 2 314.183 0.905 10 0 DCAELO CC(C)Cc1ncc(C[N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)s1 ZINC000091867073 193120708 /nfs/dbraw/zinc/12/07/08/193120708.db2.gz KKWFEPBDPRABKO-LLVKDONJSA-N 1 2 322.434 0.484 10 0 DCAELO CC(C)Cc1ncc(C[N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)s1 ZINC000091867073 193120709 /nfs/dbraw/zinc/12/07/09/193120709.db2.gz KKWFEPBDPRABKO-LLVKDONJSA-N 1 2 322.434 0.484 10 0 DCAELO C[C@@H]([NH2+][C@H](C)c1nnc2n1CCCC2)C(=O)NC(=O)NC1CC1 ZINC000173630313 296159015 /nfs/dbraw/zinc/15/90/15/296159015.db2.gz DBKVIQLYUDJZBC-NXEZZACHSA-N 1 2 320.397 0.642 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)Nc2ccc(-n3cccn3)nc2)C1 ZINC000105282449 194092433 /nfs/dbraw/zinc/09/24/33/194092433.db2.gz PITMAXFOOVEIQE-CYBMUJFWSA-N 1 2 316.365 0.719 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)Nc2ccc(-n3cccn3)nc2)C1 ZINC000105282449 194092436 /nfs/dbraw/zinc/09/24/36/194092436.db2.gz PITMAXFOOVEIQE-CYBMUJFWSA-N 1 2 316.365 0.719 10 0 DCAELO CN(C(=O)CN1CCC[N@H+](Cc2cnn(C)c2)CC1)C1CC1 ZINC000105870016 194151985 /nfs/dbraw/zinc/15/19/85/194151985.db2.gz FVGMNXWUNGYNAN-UHFFFAOYSA-N 1 2 305.426 0.549 10 0 DCAELO CN(C(=O)CN1CCC[N@@H+](Cc2cnn(C)c2)CC1)C1CC1 ZINC000105870016 194151987 /nfs/dbraw/zinc/15/19/87/194151987.db2.gz FVGMNXWUNGYNAN-UHFFFAOYSA-N 1 2 305.426 0.549 10 0 DCAELO COCCCNC(=O)[C@@H](C)[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000105889902 194159025 /nfs/dbraw/zinc/15/90/25/194159025.db2.gz CDWSTCSKXZCUAJ-KGLIPLIRSA-N 1 2 310.398 0.125 10 0 DCAELO COCCCNC(=O)[C@@H](C)[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000105889902 194159026 /nfs/dbraw/zinc/15/90/26/194159026.db2.gz CDWSTCSKXZCUAJ-KGLIPLIRSA-N 1 2 310.398 0.125 10 0 DCAELO O=C1C[C@@H](Nc2cc(N3CCC[C@@H]3CO)nc[nH+]2)CN1C1CC1 ZINC000267570655 296343725 /nfs/dbraw/zinc/34/37/25/296343725.db2.gz AAZYGBQHRRWCSS-DGCLKSJQSA-N 1 2 317.393 0.613 10 0 DCAELO O=C1C[C@@H](Nc2cc(N3CCC[C@@H]3CO)[nH+]cn2)CN1C1CC1 ZINC000267570655 296343728 /nfs/dbraw/zinc/34/37/28/296343728.db2.gz AAZYGBQHRRWCSS-DGCLKSJQSA-N 1 2 317.393 0.613 10 0 DCAELO CC(=O)Nc1nc(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)cs1 ZINC000284434320 131081094 /nfs/dbraw/zinc/08/10/94/131081094.db2.gz JKRCJEAWPGNTQV-NWDGAFQWSA-N 1 2 324.406 0.647 10 0 DCAELO CC(=O)Nc1nc(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)cs1 ZINC000284434320 131081096 /nfs/dbraw/zinc/08/10/96/131081096.db2.gz JKRCJEAWPGNTQV-NWDGAFQWSA-N 1 2 324.406 0.647 10 0 DCAELO COc1cccc(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)c1O ZINC000284495853 131085926 /nfs/dbraw/zinc/08/59/26/131085926.db2.gz NGCVLLKIUXJQPO-QWHCGFSZSA-N 1 2 306.362 0.946 10 0 DCAELO COc1cccc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)c1O ZINC000284495850 131086329 /nfs/dbraw/zinc/08/63/29/131086329.db2.gz NGCVLLKIUXJQPO-OLZOCXBDSA-N 1 2 306.362 0.946 10 0 DCAELO Cc1c[nH+]c(N[C@@H]2CCN(C)C2=O)nc1N[C@H]1CCN(C)C1=O ZINC000085687777 395701643 /nfs/dbraw/zinc/70/16/43/395701643.db2.gz CSJNADXKGUXYNO-WDEREUQCSA-N 1 2 318.381 0.070 10 0 DCAELO Cc1cc(F)ccc1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000041601636 395738542 /nfs/dbraw/zinc/73/85/42/395738542.db2.gz AWAJFJWKDBHVMN-GFCCVEGCSA-N 1 2 323.368 0.910 10 0 DCAELO O=C(N[C@@H]1CCS(=O)(=O)C1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105064516 395780435 /nfs/dbraw/zinc/78/04/35/395780435.db2.gz DDMYJOBYMGULCX-VXGBXAGGSA-N 1 2 301.412 0.053 10 0 DCAELO O=C(N[C@@H]1CCS(=O)(=O)C1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000105064516 395780438 /nfs/dbraw/zinc/78/04/38/395780438.db2.gz DDMYJOBYMGULCX-VXGBXAGGSA-N 1 2 301.412 0.053 10 0 DCAELO CCO[C@@H](C(=O)NC[C@@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC000193904638 395781755 /nfs/dbraw/zinc/78/17/55/395781755.db2.gz XGQPWNBNOLMUDV-HZPDHXFCSA-N 1 2 322.405 0.574 10 0 DCAELO Cc1noc(CCNC(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000101619252 395765906 /nfs/dbraw/zinc/76/59/06/395765906.db2.gz WEUZJQNRWVWSGH-UHFFFAOYSA-N 1 2 316.365 0.847 10 0 DCAELO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2nncn2C)CC1 ZINC000103491557 395773789 /nfs/dbraw/zinc/77/37/89/395773789.db2.gz FICOFROUVKCGII-CYBMUJFWSA-N 1 2 320.441 0.380 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)Cc2cnn(-c3ccccc3)c2)C1 ZINC000194618670 395802562 /nfs/dbraw/zinc/80/25/62/395802562.db2.gz NVHNNDFSQYJIQU-INIZCTEOSA-N 1 2 314.389 0.862 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)Cc2cnn(-c3ccccc3)c2)C1 ZINC000194618670 395802566 /nfs/dbraw/zinc/80/25/66/395802566.db2.gz NVHNNDFSQYJIQU-INIZCTEOSA-N 1 2 314.389 0.862 10 0 DCAELO CC(=O)c1cccc(OCC(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000194615957 395803014 /nfs/dbraw/zinc/80/30/14/395803014.db2.gz WFECXAPWVJZIIH-OAHLLOKOSA-N 1 2 306.362 0.715 10 0 DCAELO CC(=O)c1cccc(OCC(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000194615957 395803017 /nfs/dbraw/zinc/80/30/17/395803017.db2.gz WFECXAPWVJZIIH-OAHLLOKOSA-N 1 2 306.362 0.715 10 0 DCAELO CCOc1ccc(OCC(=O)NC[C@H]2C[N@H+](C)CCO2)cc1 ZINC000194638984 395803323 /nfs/dbraw/zinc/80/33/23/395803323.db2.gz HFNSXDXVTHASMX-HNNXBMFYSA-N 1 2 308.378 0.911 10 0 DCAELO CCOc1ccc(OCC(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000194638984 395803328 /nfs/dbraw/zinc/80/33/28/395803328.db2.gz HFNSXDXVTHASMX-HNNXBMFYSA-N 1 2 308.378 0.911 10 0 DCAELO CCc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000118115416 395860594 /nfs/dbraw/zinc/86/05/94/395860594.db2.gz ZJBBVBRPKKBHHT-CQSZACIVSA-N 1 2 305.378 0.634 10 0 DCAELO CCc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000118115416 395860598 /nfs/dbraw/zinc/86/05/98/395860598.db2.gz ZJBBVBRPKKBHHT-CQSZACIVSA-N 1 2 305.378 0.634 10 0 DCAELO COc1ccc(C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)cc1F ZINC000116888690 395847642 /nfs/dbraw/zinc/84/76/42/395847642.db2.gz VQWGMUQVPJXGQB-LLVKDONJSA-N 1 2 302.371 0.958 10 0 DCAELO COc1ccc(C[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)cc1F ZINC000116888690 395847643 /nfs/dbraw/zinc/84/76/43/395847643.db2.gz VQWGMUQVPJXGQB-LLVKDONJSA-N 1 2 302.371 0.958 10 0 DCAELO COCC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(F)c2)C[C@H]1C ZINC000117522597 395853074 /nfs/dbraw/zinc/85/30/74/395853074.db2.gz DJZOBPKIVJFBSN-GFCCVEGCSA-N 1 2 323.368 0.943 10 0 DCAELO COCC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(F)c2)C[C@H]1C ZINC000117522597 395853075 /nfs/dbraw/zinc/85/30/75/395853075.db2.gz DJZOBPKIVJFBSN-GFCCVEGCSA-N 1 2 323.368 0.943 10 0 DCAELO COC(=O)c1ccc(N2CCN(Cc3[nH+]ccn3C)CC2)nn1 ZINC000108952235 395795662 /nfs/dbraw/zinc/79/56/62/395795662.db2.gz APDCGJSLBRETHK-UHFFFAOYSA-N 1 2 316.365 0.319 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)CCOc2ccc(C=O)cc2)C1 ZINC000109264571 395797455 /nfs/dbraw/zinc/79/74/55/395797455.db2.gz PRDDRJKXPRRYMO-HNNXBMFYSA-N 1 2 306.362 0.715 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)CCOc2ccc(C=O)cc2)C1 ZINC000109264571 395797458 /nfs/dbraw/zinc/79/74/58/395797458.db2.gz PRDDRJKXPRRYMO-HNNXBMFYSA-N 1 2 306.362 0.715 10 0 DCAELO O=C(NC[C@@H]1CCCS1(=O)=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000124571441 395900788 /nfs/dbraw/zinc/90/07/88/395900788.db2.gz TZZNTWGWEMUNGU-STQMWFEESA-N 1 2 313.423 0.219 10 0 DCAELO CNC(=O)c1ccc(N2CCN(c3cc[nH+]c(C)n3)CC2)nn1 ZINC000273486117 395924586 /nfs/dbraw/zinc/92/45/86/395924586.db2.gz LFKZJLDDGFVZGC-UHFFFAOYSA-N 1 2 313.365 0.261 10 0 DCAELO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)CN2CSCC2=O)C1 ZINC000119809058 395876825 /nfs/dbraw/zinc/87/68/25/395876825.db2.gz VIMLYTIQSCPAPW-GFCCVEGCSA-N 1 2 322.434 0.734 10 0 DCAELO COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000245416275 395928697 /nfs/dbraw/zinc/92/86/97/395928697.db2.gz DZVCWGMSQCJQDI-RBSFLKMASA-N 1 2 324.421 0.899 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(-n3cccn3)ccn2)C1 ZINC000134720839 395933909 /nfs/dbraw/zinc/93/39/09/395933909.db2.gz YHCDBQBGBYPVIY-ZDUSSCGKSA-N 1 2 301.350 0.328 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)c2cc(-n3cccn3)ccn2)C1 ZINC000134720839 395933913 /nfs/dbraw/zinc/93/39/13/395933913.db2.gz YHCDBQBGBYPVIY-ZDUSSCGKSA-N 1 2 301.350 0.328 10 0 DCAELO Cc1cnn(CCNc2cc(N3CCN(C)C(=O)C3)nc[nH+]2)c1 ZINC000274368808 395943176 /nfs/dbraw/zinc/94/31/76/395943176.db2.gz POGDTAKNUFNTTM-UHFFFAOYSA-N 1 2 315.381 0.372 10 0 DCAELO Cc1cnn(CCNc2cc(N3CCN(C)C(=O)C3)[nH+]cn2)c1 ZINC000274368808 395943180 /nfs/dbraw/zinc/94/31/80/395943180.db2.gz POGDTAKNUFNTTM-UHFFFAOYSA-N 1 2 315.381 0.372 10 0 DCAELO C[C@@H](NC(=O)C[N@@H+]1CCCC[C@H]1c1cn[nH]c1)C(=O)N(C)C ZINC000246327387 395946853 /nfs/dbraw/zinc/94/68/53/395946853.db2.gz GHXLSBLUXPHMJA-YPMHNXCESA-N 1 2 307.398 0.530 10 0 DCAELO C[C@@H](NC(=O)C[N@H+]1CCCC[C@H]1c1cn[nH]c1)C(=O)N(C)C ZINC000246327387 395946855 /nfs/dbraw/zinc/94/68/55/395946855.db2.gz GHXLSBLUXPHMJA-YPMHNXCESA-N 1 2 307.398 0.530 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@@]2(O)CCc3ccccc32)C1 ZINC000246553426 395952701 /nfs/dbraw/zinc/95/27/01/395952701.db2.gz LHDTWHFFJDZQKJ-YOEHRIQHSA-N 1 2 319.405 0.450 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)NC[C@@]2(O)CCc3ccccc32)C1 ZINC000246553426 395952703 /nfs/dbraw/zinc/95/27/03/395952703.db2.gz LHDTWHFFJDZQKJ-YOEHRIQHSA-N 1 2 319.405 0.450 10 0 DCAELO CCOCCN1CC[N@H+](C[C@H](C)CS(C)(=O)=O)C[C@@H]1C ZINC000246659020 395954882 /nfs/dbraw/zinc/95/48/82/395954882.db2.gz WCRKFFQAQXEVNW-KBPBESRZSA-N 1 2 306.472 0.710 10 0 DCAELO CCOCCN1CC[N@@H+](C[C@H](C)CS(C)(=O)=O)C[C@@H]1C ZINC000246659020 395954884 /nfs/dbraw/zinc/95/48/84/395954884.db2.gz WCRKFFQAQXEVNW-KBPBESRZSA-N 1 2 306.472 0.710 10 0 DCAELO CCOCC[N@@H+]1CCN(C[C@H](C)CS(C)(=O)=O)C[C@@H]1C ZINC000246659020 395954885 /nfs/dbraw/zinc/95/48/85/395954885.db2.gz WCRKFFQAQXEVNW-KBPBESRZSA-N 1 2 306.472 0.710 10 0 DCAELO CCOCC[N@H+]1CCN(C[C@H](C)CS(C)(=O)=O)C[C@@H]1C ZINC000246659020 395954887 /nfs/dbraw/zinc/95/48/87/395954887.db2.gz WCRKFFQAQXEVNW-KBPBESRZSA-N 1 2 306.472 0.710 10 0 DCAELO CCOCCO[C@H](C)C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000246878599 395960226 /nfs/dbraw/zinc/96/02/26/395960226.db2.gz GKQMSRSTEXTENJ-ZNMIVQPWSA-N 1 2 314.426 0.607 10 0 DCAELO Cc1nnc([C@@H]2C[N@H+](C[C@@H](O)COc3ccccc3)CCO2)[nH]1 ZINC000247240924 395969985 /nfs/dbraw/zinc/96/99/85/395969985.db2.gz XXPLRYYOOXQQIW-HIFRSBDPSA-N 1 2 318.377 0.926 10 0 DCAELO Cc1nnc([C@@H]2C[N@@H+](C[C@@H](O)COc3ccccc3)CCO2)[nH]1 ZINC000247240924 395969987 /nfs/dbraw/zinc/96/99/87/395969987.db2.gz XXPLRYYOOXQQIW-HIFRSBDPSA-N 1 2 318.377 0.926 10 0 DCAELO C[C@H](NC(=O)NCC[NH+]1CCOCC1)c1nnc2n1CCCC2 ZINC000151084917 395978638 /nfs/dbraw/zinc/97/86/38/395978638.db2.gz QLECRBJUHCALRH-LBPRGKRZSA-N 1 2 322.413 0.307 10 0 DCAELO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000248807206 395997584 /nfs/dbraw/zinc/99/75/84/395997584.db2.gz HCFDGBKVTRLLNO-SGPHBRAGSA-N 1 2 324.421 0.896 10 0 DCAELO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000248807206 395997589 /nfs/dbraw/zinc/99/75/89/395997589.db2.gz HCFDGBKVTRLLNO-SGPHBRAGSA-N 1 2 324.421 0.896 10 0 DCAELO O=S(=O)(C[C@H]1CCCO1)NCc1cccnc1-n1cc[nH+]c1 ZINC000171417552 396117179 /nfs/dbraw/zinc/11/71/79/396117179.db2.gz VMOXOFQDIJPATL-CYBMUJFWSA-N 1 2 322.390 0.866 10 0 DCAELO COC(=O)CN(CC[NH+]1CCOCC1)C(=O)Cc1ccccc1 ZINC000171829672 396125868 /nfs/dbraw/zinc/12/58/68/396125868.db2.gz ZXGWUHAYIUJFKE-UHFFFAOYSA-N 1 2 320.389 0.563 10 0 DCAELO Cn1cc(CN2CCN(C(=O)[C@H]3CC(F)(F)C[NH2+]3)CC2)cn1 ZINC000263216374 396206810 /nfs/dbraw/zinc/20/68/10/396206810.db2.gz KZHDPILTDMNOOL-GFCCVEGCSA-N 1 2 313.352 0.062 10 0 DCAELO CC(C)C(=O)NC[C@H]1CCCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263269577 396210288 /nfs/dbraw/zinc/21/02/88/396210288.db2.gz RYYWIROVROVAGV-NEPJUHHUSA-N 1 2 317.380 0.994 10 0 DCAELO CC(C)C(=O)NC[C@H]1CCCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263269581 396210472 /nfs/dbraw/zinc/21/04/72/396210472.db2.gz RYYWIROVROVAGV-VXGBXAGGSA-N 1 2 317.380 0.994 10 0 DCAELO C[C@@H]1CN(Cc2ccc(-n3cc[nH+]c3)nc2)CCS1(=O)=O ZINC000177207329 396169284 /nfs/dbraw/zinc/16/92/84/396169284.db2.gz QZEBIDYOSRXLDF-GFCCVEGCSA-N 1 2 306.391 0.886 10 0 DCAELO CCCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000262728995 396176582 /nfs/dbraw/zinc/17/65/82/396176582.db2.gz BGPXWEUFQVKBDE-WDEREUQCSA-N 1 2 303.353 0.748 10 0 DCAELO COc1ccc(F)cc1CN1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC000178182611 396190961 /nfs/dbraw/zinc/19/09/61/396190961.db2.gz ZNLUBNTZZTVDCM-CQSZACIVSA-N 1 2 307.369 0.840 10 0 DCAELO Cc1cc(N2CCN([C@@H]3CCNC3=O)CC2)nc(C(C)C)[nH+]1 ZINC000178187946 396191043 /nfs/dbraw/zinc/19/10/43/396191043.db2.gz NHDLPIQSWBSWDJ-CYBMUJFWSA-N 1 2 303.410 0.919 10 0 DCAELO Cc1ccc(C(=O)NCCNC(=O)[C@H]2CC(F)(F)C[NH2+]2)cc1 ZINC000263008254 396197790 /nfs/dbraw/zinc/19/77/90/396197790.db2.gz PLNCUZDYBKKQMR-GFCCVEGCSA-N 1 2 311.332 0.838 10 0 DCAELO CS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)cc1 ZINC000263045728 396199084 /nfs/dbraw/zinc/19/90/84/396199084.db2.gz TYXFVVAUQGRNFK-NSHDSACASA-N 1 2 318.345 0.704 10 0 DCAELO Cc1ccc(O)c(C(=O)N2CCC[N@@H+](CC(=O)N(C)C)CC2)c1 ZINC000076361276 396202024 /nfs/dbraw/zinc/20/20/24/396202024.db2.gz ZKIYVRIOXMFRRM-UHFFFAOYSA-N 1 2 319.405 0.937 10 0 DCAELO Cc1ccc(O)c(C(=O)N2CCC[N@H+](CC(=O)N(C)C)CC2)c1 ZINC000076361276 396202026 /nfs/dbraw/zinc/20/20/26/396202026.db2.gz ZKIYVRIOXMFRRM-UHFFFAOYSA-N 1 2 319.405 0.937 10 0 DCAELO O=C(CN1CC[NH+](Cc2ccccc2)CC1)NCC(=O)C1CC1 ZINC000180812514 396234616 /nfs/dbraw/zinc/23/46/16/396234616.db2.gz MBASKXZISBZRQG-UHFFFAOYSA-N 1 2 315.417 0.900 10 0 DCAELO CN(C)c1[nH+]cccc1CNC(=O)Nc1nccn(C)c1=O ZINC000182727787 396253627 /nfs/dbraw/zinc/25/36/27/396253627.db2.gz RLPVPKGAYZTGCV-UHFFFAOYSA-N 1 2 302.338 0.563 10 0 DCAELO C[C@H]1CN(C(=O)NCc2cn3c([nH+]2)CCCC3)CC(=O)N1C ZINC000282083907 396261914 /nfs/dbraw/zinc/26/19/14/396261914.db2.gz IAHYGFWYHZWIGZ-NSHDSACASA-N 1 2 305.382 0.592 10 0 DCAELO OC[C@H]1CCCN1c1cc(NC[C@H](O)C(F)(F)F)[nH+]cn1 ZINC000264316698 396270611 /nfs/dbraw/zinc/27/06/11/396270611.db2.gz INGARSLVHIGJHS-BDAKNGLRSA-N 1 2 306.288 0.773 10 0 DCAELO OC[C@H]1CCCN1c1cc(NC[C@H](O)C(F)(F)F)nc[nH+]1 ZINC000264316698 396270613 /nfs/dbraw/zinc/27/06/13/396270613.db2.gz INGARSLVHIGJHS-BDAKNGLRSA-N 1 2 306.288 0.773 10 0 DCAELO O=C(c1cn(Cc2ccccn2)nn1)N1CC[NH+](C2CC2)CC1 ZINC000079779156 396270675 /nfs/dbraw/zinc/27/06/75/396270675.db2.gz KMHBFACJAIJZDS-UHFFFAOYSA-N 1 2 312.377 0.642 10 0 DCAELO CCN(CC1CC1)S(=O)(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000183905484 396277433 /nfs/dbraw/zinc/27/74/33/396277433.db2.gz WFIQXRSMQZWYFB-CQSZACIVSA-N 1 2 317.455 0.416 10 0 DCAELO CCN(CC1CC1)S(=O)(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000183905484 396277434 /nfs/dbraw/zinc/27/74/34/396277434.db2.gz WFIQXRSMQZWYFB-CQSZACIVSA-N 1 2 317.455 0.416 10 0 DCAELO O=C(CNC(=O)[C@H]1CC(F)(F)C[NH2+]1)N1CCc2ccccc2C1 ZINC000263308739 396213054 /nfs/dbraw/zinc/21/30/54/396213054.db2.gz YGHMHABZVRJVHB-CYBMUJFWSA-N 1 2 323.343 0.685 10 0 DCAELO CN(C)C(=O)C1(CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)CCCC1 ZINC000263317953 396213627 /nfs/dbraw/zinc/21/36/27/396213627.db2.gz ZTQDJTVBHCUMGM-SNVBAGLBSA-N 1 2 303.353 0.748 10 0 DCAELO CCc1occc1C(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000280671447 396214091 /nfs/dbraw/zinc/21/40/91/396214091.db2.gz GFVSMKXHJCTWIU-LLVKDONJSA-N 1 2 309.366 0.100 10 0 DCAELO CCc1occc1C(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000280671447 396214094 /nfs/dbraw/zinc/21/40/94/396214094.db2.gz GFVSMKXHJCTWIU-LLVKDONJSA-N 1 2 309.366 0.100 10 0 DCAELO C[C@H](C[NH+]1CCOCC1)NC(=O)Cn1c2ccccc2[nH]c1=O ZINC000077195938 396214899 /nfs/dbraw/zinc/21/48/99/396214899.db2.gz MJAXQESDNFHMLG-GFCCVEGCSA-N 1 2 318.377 0.167 10 0 DCAELO CC(C)Oc1nccnc1N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000184132867 396285972 /nfs/dbraw/zinc/28/59/72/396285972.db2.gz QGIJQCSBKPJMRP-CYBMUJFWSA-N 1 2 310.398 0.393 10 0 DCAELO O=C(C[N@@H+]1CCO[C@]2(CCOC2)C1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000185151037 396319627 /nfs/dbraw/zinc/31/96/27/396319627.db2.gz NMTTWBPGQHJHTJ-ZMSDIMECSA-N 1 2 324.421 0.648 10 0 DCAELO O=C(C[N@H+]1CCO[C@]2(CCOC2)C1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000185151037 396319629 /nfs/dbraw/zinc/31/96/29/396319629.db2.gz NMTTWBPGQHJHTJ-ZMSDIMECSA-N 1 2 324.421 0.648 10 0 DCAELO CC1(Cn2cc(C(=O)N3CC[NH+](C4CC4)CC3)nn2)COC1 ZINC000184485275 396296640 /nfs/dbraw/zinc/29/66/40/396296640.db2.gz HIMOCCZTRBAAAA-UHFFFAOYSA-N 1 2 305.382 0.235 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCc3c2cccc3F)C1 ZINC000185666258 396332343 /nfs/dbraw/zinc/33/23/43/396332343.db2.gz VYSWIUPTWAHDCM-NSHDSACASA-N 1 2 321.352 0.162 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCc3c2cccc3F)C1 ZINC000185666258 396332347 /nfs/dbraw/zinc/33/23/47/396332347.db2.gz VYSWIUPTWAHDCM-NSHDSACASA-N 1 2 321.352 0.162 10 0 DCAELO C[C@@H](NC(=O)N1CC(NC(=O)C2CC2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000187033815 396362543 /nfs/dbraw/zinc/36/25/43/396362543.db2.gz WPTIPYACJJTAPS-NEPJUHHUSA-N 1 2 324.425 0.016 10 0 DCAELO C[C@@]1(O)CCN(C(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000188347593 396381938 /nfs/dbraw/zinc/38/19/38/396381938.db2.gz YQIOBRLPADLXKM-OAHLLOKOSA-N 1 2 301.350 0.934 10 0 DCAELO c1nc(N2CCO[C@]3(CCCOC3)C2)cc(N2CCOCC2)[nH+]1 ZINC000286393688 396392594 /nfs/dbraw/zinc/39/25/94/396392594.db2.gz GVHIXGQWIKVPPZ-MRXNPFEDSA-N 1 2 320.393 0.699 10 0 DCAELO c1nc(N2CCOCC2)cc(N2CCO[C@]3(CCCOC3)C2)[nH+]1 ZINC000286393688 396392597 /nfs/dbraw/zinc/39/25/97/396392597.db2.gz GVHIXGQWIKVPPZ-MRXNPFEDSA-N 1 2 320.393 0.699 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(CO)c(F)c3)C[C@H]21 ZINC000286405501 396393315 /nfs/dbraw/zinc/39/33/15/396393315.db2.gz OATLFUKHLJFDGS-CABCVRRESA-N 1 2 308.353 0.863 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(CO)c(F)c3)C[C@H]21 ZINC000286405501 396393317 /nfs/dbraw/zinc/39/33/17/396393317.db2.gz OATLFUKHLJFDGS-CABCVRRESA-N 1 2 308.353 0.863 10 0 DCAELO C[C@@H]1C(=O)NCCC[N@H+]1CC(=O)NC(=O)Nc1ccccc1 ZINC000189305104 396393340 /nfs/dbraw/zinc/39/33/40/396393340.db2.gz YTZLVWMDQBRVFT-LLVKDONJSA-N 1 2 304.350 0.545 10 0 DCAELO C[C@@H]1C(=O)NCCC[N@@H+]1CC(=O)NC(=O)Nc1ccccc1 ZINC000189305104 396393343 /nfs/dbraw/zinc/39/33/43/396393343.db2.gz YTZLVWMDQBRVFT-LLVKDONJSA-N 1 2 304.350 0.545 10 0 DCAELO COc1cnccc1[C@@H](C)NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000189795976 396399349 /nfs/dbraw/zinc/39/93/49/396399349.db2.gz IIMKKSFLVVZYAN-NEPJUHHUSA-N 1 2 308.382 0.781 10 0 DCAELO COc1cnccc1[C@@H](C)NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000189795976 396399351 /nfs/dbraw/zinc/39/93/51/396399351.db2.gz IIMKKSFLVVZYAN-NEPJUHHUSA-N 1 2 308.382 0.781 10 0 DCAELO COCc1ccc(CNC(=O)C[N@@H+]2CCCN(C)C(=O)C2)cc1 ZINC000191093824 396415175 /nfs/dbraw/zinc/41/51/75/396415175.db2.gz OBKMPZBTLSQBLL-UHFFFAOYSA-N 1 2 319.405 0.613 10 0 DCAELO COCc1ccc(CNC(=O)C[N@H+]2CCCN(C)C(=O)C2)cc1 ZINC000191093824 396415177 /nfs/dbraw/zinc/41/51/77/396415177.db2.gz OBKMPZBTLSQBLL-UHFFFAOYSA-N 1 2 319.405 0.613 10 0 DCAELO C[C@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1CCCN(C)C(=O)C1 ZINC000191114345 396416169 /nfs/dbraw/zinc/41/61/69/396416169.db2.gz YOJDMICQUAYAJQ-GFCCVEGCSA-N 1 2 307.369 0.995 10 0 DCAELO C[C@H](C(=O)NCc1ccc(F)cc1)[N@H+]1CCCN(C)C(=O)C1 ZINC000191114345 396416172 /nfs/dbraw/zinc/41/61/72/396416172.db2.gz YOJDMICQUAYAJQ-GFCCVEGCSA-N 1 2 307.369 0.995 10 0 DCAELO C[C@@H]1C(=O)NCCCN1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000191178335 396416556 /nfs/dbraw/zinc/41/65/56/396416556.db2.gz SDOUDNLBESKELX-GFCCVEGCSA-N 1 2 315.377 0.797 10 0 DCAELO CC(C)Cn1cc[nH+]c1CNC(=O)N1CCCN(C)C(=O)C1 ZINC000188183236 396379841 /nfs/dbraw/zinc/37/98/41/396379841.db2.gz MSOOMQZQOSLYGE-UHFFFAOYSA-N 1 2 307.398 0.913 10 0 DCAELO COCC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(F)cn2)C[C@@H]1C ZINC000193277125 396447981 /nfs/dbraw/zinc/44/79/81/396447981.db2.gz HYAHZAWLXZFWFG-NSHDSACASA-N 1 2 324.356 0.338 10 0 DCAELO COCC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(F)cn2)C[C@@H]1C ZINC000193277125 396447983 /nfs/dbraw/zinc/44/79/83/396447983.db2.gz HYAHZAWLXZFWFG-NSHDSACASA-N 1 2 324.356 0.338 10 0 DCAELO O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000290478918 396466597 /nfs/dbraw/zinc/46/65/97/396466597.db2.gz VGKDDIZQHSOMAM-LJISPDSOSA-N 1 2 305.378 0.926 10 0 DCAELO NC(=O)[C@@]1(O)CCC[N@H+](Cc2cccc(Br)n2)C1 ZINC000292667393 396562044 /nfs/dbraw/zinc/56/20/44/396562044.db2.gz CCPUXNPNWKNARB-GFCCVEGCSA-N 1 2 314.183 0.656 10 0 DCAELO NC(=O)[C@@]1(O)CCC[N@@H+](Cc2cccc(Br)n2)C1 ZINC000292667393 396562048 /nfs/dbraw/zinc/56/20/48/396562048.db2.gz CCPUXNPNWKNARB-GFCCVEGCSA-N 1 2 314.183 0.656 10 0 DCAELO CC(=O)N1CSC[C@@H]1C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000374367718 396657946 /nfs/dbraw/zinc/65/79/46/396657946.db2.gz RWOUXVPMVHXUEM-NWDGAFQWSA-N 1 2 308.407 0.657 10 0 DCAELO COC[C@H](C)OC[C@H](O)C[NH+]1CC(O)(c2ccc(F)cc2)C1 ZINC000375353901 396731534 /nfs/dbraw/zinc/73/15/34/396731534.db2.gz MKHBERXFFKSPTM-SWLSCSKDSA-N 1 2 313.369 0.741 10 0 DCAELO CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)Cc1cnn2ccccc12 ZINC000633919427 396745110 /nfs/dbraw/zinc/74/51/10/396745110.db2.gz ZDQRGPFDUHLMMX-AWEZNQCLSA-N 1 2 302.378 0.666 10 0 DCAELO CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)Cc1cnn2ccccc12 ZINC000633919427 396745112 /nfs/dbraw/zinc/74/51/12/396745112.db2.gz ZDQRGPFDUHLMMX-AWEZNQCLSA-N 1 2 302.378 0.666 10 0 DCAELO COC(=O)CNC(=O)C[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375466089 396751967 /nfs/dbraw/zinc/75/19/67/396751967.db2.gz RXYKGMWRWZGOOO-SNVBAGLBSA-N 1 2 308.338 0.026 10 0 DCAELO COC(=O)CNC(=O)C[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375466089 396751976 /nfs/dbraw/zinc/75/19/76/396751976.db2.gz RXYKGMWRWZGOOO-SNVBAGLBSA-N 1 2 308.338 0.026 10 0 DCAELO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@H]1CNC(=O)C1 ZINC000312037238 396763928 /nfs/dbraw/zinc/76/39/28/396763928.db2.gz PJWVQALNBHDTIC-HUUCEWRRSA-N 1 2 317.389 0.140 10 0 DCAELO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H]1CNC(=O)C1 ZINC000312037238 396763936 /nfs/dbraw/zinc/76/39/36/396763936.db2.gz PJWVQALNBHDTIC-HUUCEWRRSA-N 1 2 317.389 0.140 10 0 DCAELO COC(=O)[C@@H]([NH2+]C[C@H](O)COC[C@H]1CCCO1)C(C)(C)C ZINC000610989647 396798099 /nfs/dbraw/zinc/79/80/99/396798099.db2.gz RMUNLKGFZMEAEO-YNEHKIRRSA-N 1 2 303.399 0.720 10 0 DCAELO Cc1nc(S(=O)(=O)N2CCN(C)[C@H](c3[nH]cc[nH+]3)C2)cn1C ZINC000328626788 396823972 /nfs/dbraw/zinc/82/39/72/396823972.db2.gz MCVDUPRQSJZABU-NSHDSACASA-N 1 2 324.410 0.129 10 0 DCAELO Cc1nc(S(=O)(=O)NC[C@@H]2CCn3cc[nH+]c3C2)cn1C ZINC000328630040 396827349 /nfs/dbraw/zinc/82/73/49/396827349.db2.gz PKHJKVGGJLQIHJ-LLVKDONJSA-N 1 2 309.395 0.466 10 0 DCAELO Cc1nc([C@H]2CCCCN2C(=O)[C@@H](C)N2CC[NH+](C)CC2)n[nH]1 ZINC000328705608 396831421 /nfs/dbraw/zinc/83/14/21/396831421.db2.gz YTQDTNBCYGLELK-TZMCWYRMSA-N 1 2 320.441 0.803 10 0 DCAELO c1nnn(-c2ccccc2)c1C[NH+]1CCN(c2nccnn2)CC1 ZINC000625643869 396965387 /nfs/dbraw/zinc/96/53/87/396965387.db2.gz HFAAVWAPFBCDQJ-UHFFFAOYSA-N 1 2 322.376 0.775 10 0 DCAELO CC1(C)COCC[N@@H+]1CCNC(=O)N1CC[C@@H](CC(N)=O)C1 ZINC000376745062 396971946 /nfs/dbraw/zinc/97/19/46/396971946.db2.gz CPXXQCLSJHCCAA-LBPRGKRZSA-N 1 2 312.414 0.004 10 0 DCAELO CC1(C)COCC[N@H+]1CCNC(=O)N1CC[C@@H](CC(N)=O)C1 ZINC000376745062 396971950 /nfs/dbraw/zinc/97/19/50/396971950.db2.gz CPXXQCLSJHCCAA-LBPRGKRZSA-N 1 2 312.414 0.004 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCN(C)C(=O)C1)C2 ZINC000377297696 397063116 /nfs/dbraw/zinc/06/31/16/397063116.db2.gz KVQCXQQZMSMAQP-LLVKDONJSA-N 1 2 304.394 0.939 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCN(C)C(=O)C1)CC2 ZINC000377297696 397063119 /nfs/dbraw/zinc/06/31/19/397063119.db2.gz KVQCXQQZMSMAQP-LLVKDONJSA-N 1 2 304.394 0.939 10 0 DCAELO O=C(NCc1n[nH]cc1Br)[C@H]1CC(F)(F)C[NH2+]1 ZINC000573244155 397149033 /nfs/dbraw/zinc/14/90/33/397149033.db2.gz SYJQTDQHNHQKAB-ZCFIWIBFSA-N 1 2 309.114 0.786 10 0 DCAELO CO[C@@H]1C[N@H+](Cc2ncnn2C(C)(C)C)C[C@H]1c1c[nH]nn1 ZINC000621317064 397374578 /nfs/dbraw/zinc/37/45/78/397374578.db2.gz MNQYGZRNTWLSGO-CMPLNLGQSA-N 1 2 305.386 0.766 10 0 DCAELO CO[C@@H]1C[N@@H+](Cc2ncnn2C(C)(C)C)C[C@H]1c1c[nH]nn1 ZINC000621317064 397374584 /nfs/dbraw/zinc/37/45/84/397374584.db2.gz MNQYGZRNTWLSGO-CMPLNLGQSA-N 1 2 305.386 0.766 10 0 DCAELO C[C@H](Oc1ccccn1)C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000428189564 397408832 /nfs/dbraw/zinc/40/88/32/397408832.db2.gz BQINDGVBKDXDHG-MJBXVCDLSA-N 1 2 305.378 0.780 10 0 DCAELO C[C@H](Oc1ccccn1)C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000428189564 397408838 /nfs/dbraw/zinc/40/88/38/397408838.db2.gz BQINDGVBKDXDHG-MJBXVCDLSA-N 1 2 305.378 0.780 10 0 DCAELO CO[C@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1(C)C ZINC000578675263 397470801 /nfs/dbraw/zinc/47/08/01/397470801.db2.gz XXPDDMOSKQDKLP-OLZOCXBDSA-N 1 2 309.410 0.223 10 0 DCAELO O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000606936276 397691242 /nfs/dbraw/zinc/69/12/42/397691242.db2.gz IVCKCMGMQHZJIL-QJPTWQEYSA-N 1 2 313.316 0.806 10 0 DCAELO O[C@H](COC[C@H]1CCCO1)C[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000606936276 397691244 /nfs/dbraw/zinc/69/12/44/397691244.db2.gz IVCKCMGMQHZJIL-QJPTWQEYSA-N 1 2 313.316 0.806 10 0 DCAELO C[C@H]1CCCCN1S(=O)(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000329618928 299765577 /nfs/dbraw/zinc/76/55/77/299765577.db2.gz GISFULMQCUYNBF-UONOGXRCSA-N 1 2 317.455 0.512 10 0 DCAELO CCc1nc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)no1 ZINC000054316195 158019768 /nfs/dbraw/zinc/01/97/68/158019768.db2.gz VFBRTHAGYFNPJC-LBPRGKRZSA-N 1 2 308.382 0.703 10 0 DCAELO CCc1nc(C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)no1 ZINC000054316195 158019770 /nfs/dbraw/zinc/01/97/70/158019770.db2.gz VFBRTHAGYFNPJC-LBPRGKRZSA-N 1 2 308.382 0.703 10 0 DCAELO CCOCCOCC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000056972054 158024390 /nfs/dbraw/zinc/02/43/90/158024390.db2.gz JJPFOEWWUFSFFH-UHFFFAOYSA-N 1 2 304.350 0.937 10 0 DCAELO COCc1cccc(CNC(=O)C[N@@H+]2CCNC(=O)CC2)c1 ZINC000065954795 158034818 /nfs/dbraw/zinc/03/48/18/158034818.db2.gz ASQLKUGNPLYFLR-UHFFFAOYSA-N 1 2 305.378 0.271 10 0 DCAELO COCc1cccc(CNC(=O)C[N@H+]2CCNC(=O)CC2)c1 ZINC000065954795 158034819 /nfs/dbraw/zinc/03/48/19/158034819.db2.gz ASQLKUGNPLYFLR-UHFFFAOYSA-N 1 2 305.378 0.271 10 0 DCAELO C[C@H](CNC(=O)c1nc2ccccc2c(=O)[nH]1)[NH+]1CCOCC1 ZINC000073655534 158056158 /nfs/dbraw/zinc/05/61/58/158056158.db2.gz UTUJYJURQKFPKH-LLVKDONJSA-N 1 2 316.361 0.374 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@H](O)c2ccccc2F)C1 ZINC000104797736 158129580 /nfs/dbraw/zinc/12/95/80/158129580.db2.gz UXOWAJXHZDZKSX-FZMZJTMJSA-N 1 2 311.357 0.489 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)NC[C@H](O)c2ccccc2F)C1 ZINC000104797736 158129582 /nfs/dbraw/zinc/12/95/82/158129582.db2.gz UXOWAJXHZDZKSX-FZMZJTMJSA-N 1 2 311.357 0.489 10 0 DCAELO O=Cc1ccccc1OCC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000114858013 158157441 /nfs/dbraw/zinc/15/74/41/158157441.db2.gz YLEYWQMDKOTNKW-HNNXBMFYSA-N 1 2 318.373 0.857 10 0 DCAELO O=Cc1ccccc1OCC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000114858013 158157442 /nfs/dbraw/zinc/15/74/42/158157442.db2.gz YLEYWQMDKOTNKW-HNNXBMFYSA-N 1 2 318.373 0.857 10 0 DCAELO CCc1nc2n(n1)C[C@H](NC(=O)NCCn1cc[nH+]c1)CC2 ZINC000114908035 158159144 /nfs/dbraw/zinc/15/91/44/158159144.db2.gz GJGVNAVCAIQZPA-LLVKDONJSA-N 1 2 303.370 0.351 10 0 DCAELO Cc1ccc(CCC(=O)NC[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000120200162 158195296 /nfs/dbraw/zinc/19/52/96/158195296.db2.gz UMFWCKRPTZVPKQ-INIZCTEOSA-N 1 2 306.406 0.737 10 0 DCAELO CN1C[C@H](C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1=O ZINC000122874964 158225526 /nfs/dbraw/zinc/22/55/26/158225526.db2.gz ZSDLGCDPYHBFPW-GFCCVEGCSA-N 1 2 302.378 0.645 10 0 DCAELO O=S(=O)(Cc1ccccc1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000123656838 158233187 /nfs/dbraw/zinc/23/31/87/158233187.db2.gz PPTJQPLQIIBCCL-HNNXBMFYSA-N 1 2 310.419 0.969 10 0 DCAELO O=S(=O)(Cc1ccccc1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000123656838 158233189 /nfs/dbraw/zinc/23/31/89/158233189.db2.gz PPTJQPLQIIBCCL-HNNXBMFYSA-N 1 2 310.419 0.969 10 0 DCAELO Cc1ccc(CN(C(=O)C[N@@H+]2CCNC(=O)CC2)C2CC2)o1 ZINC000126144609 158262114 /nfs/dbraw/zinc/26/21/14/158262114.db2.gz XHZMLIKXHODASR-UHFFFAOYSA-N 1 2 305.378 0.901 10 0 DCAELO Cc1ccc(CN(C(=O)C[N@H+]2CCNC(=O)CC2)C2CC2)o1 ZINC000126144609 158262115 /nfs/dbraw/zinc/26/21/15/158262115.db2.gz XHZMLIKXHODASR-UHFFFAOYSA-N 1 2 305.378 0.901 10 0 DCAELO O=C(CNC(=O)c1ccccc1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000127406831 158272778 /nfs/dbraw/zinc/27/27/78/158272778.db2.gz MYDBFZAHINTGPH-HNNXBMFYSA-N 1 2 317.389 0.396 10 0 DCAELO O=C(CNC(=O)c1ccccc1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000127406831 158272780 /nfs/dbraw/zinc/27/27/80/158272780.db2.gz MYDBFZAHINTGPH-HNNXBMFYSA-N 1 2 317.389 0.396 10 0 DCAELO O=C(CNC(=O)c1cccs1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000127540728 158274261 /nfs/dbraw/zinc/27/42/61/158274261.db2.gz CJCDLKGXXGNUPZ-LBPRGKRZSA-N 1 2 323.418 0.457 10 0 DCAELO O=C(CNC(=O)c1cccs1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000127540728 158274264 /nfs/dbraw/zinc/27/42/64/158274264.db2.gz CJCDLKGXXGNUPZ-LBPRGKRZSA-N 1 2 323.418 0.457 10 0 DCAELO CSCc1noc(CCC(=O)NC[C@H]2C[N@H+](C)CCO2)n1 ZINC000128418297 158280736 /nfs/dbraw/zinc/28/07/36/158280736.db2.gz OMWIJBPSAGAVQO-JTQLQIEISA-N 1 2 314.411 0.312 10 0 DCAELO CSCc1noc(CCC(=O)NC[C@H]2C[N@@H+](C)CCO2)n1 ZINC000128418297 158280738 /nfs/dbraw/zinc/28/07/38/158280738.db2.gz OMWIJBPSAGAVQO-JTQLQIEISA-N 1 2 314.411 0.312 10 0 DCAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1cccc2ncccc21 ZINC000129013912 158284933 /nfs/dbraw/zinc/28/49/33/158284933.db2.gz JVZAIGXEGRCQTR-ZDUSSCGKSA-N 1 2 315.373 0.658 10 0 DCAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1ccc2ccccc2n1 ZINC000129105666 158285827 /nfs/dbraw/zinc/28/58/27/158285827.db2.gz XCPDUQOTNFAIRK-CQSZACIVSA-N 1 2 315.373 0.658 10 0 DCAELO NC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CCc3ccc(F)cc3C2)C1 ZINC000133903331 158323506 /nfs/dbraw/zinc/32/35/06/158323506.db2.gz IAZNVHDQDQDUCX-ZDUSSCGKSA-N 1 2 319.380 0.908 10 0 DCAELO NC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CCc3ccc(F)cc3C2)C1 ZINC000133903331 158323509 /nfs/dbraw/zinc/32/35/09/158323509.db2.gz IAZNVHDQDQDUCX-ZDUSSCGKSA-N 1 2 319.380 0.908 10 0 DCAELO C[C@H](NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)C1CCOCC1 ZINC000134933260 158332593 /nfs/dbraw/zinc/33/25/93/158332593.db2.gz FFBGQCMDTSTJSB-DZGCQCFKSA-N 1 2 311.426 0.918 10 0 DCAELO CCC(=O)N1CC[C@@H](NC(=O)NCc2ccc[nH+]c2N(C)C)C1 ZINC000135078680 158334278 /nfs/dbraw/zinc/33/42/78/158334278.db2.gz AZRDVRQANXYICX-CYBMUJFWSA-N 1 2 319.409 0.958 10 0 DCAELO CCc1ncsc1C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000161549826 158357393 /nfs/dbraw/zinc/35/73/93/158357393.db2.gz VSLAHDNIAMZSIH-AWEZNQCLSA-N 1 2 313.423 0.519 10 0 DCAELO CC(C)(C)NC(=O)CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000163057397 158361392 /nfs/dbraw/zinc/36/13/92/158361392.db2.gz CFUVMDJYSIOARE-LBPRGKRZSA-N 1 2 319.409 0.874 10 0 DCAELO O=C(C[NH+]1CCN(C(=O)N[C@@H]2CCCOC2)CC1)N1CCCC1 ZINC000171617951 158384686 /nfs/dbraw/zinc/38/46/86/158384686.db2.gz ABBXFZMMJVCBSG-CQSZACIVSA-N 1 2 324.425 0.115 10 0 DCAELO CC1(C)C[N@H+](CCNC(=O)N[C@H]2CCc3ncnn3C2)CCO1 ZINC000171870196 158387379 /nfs/dbraw/zinc/38/73/79/158387379.db2.gz ZHKJGDBXXACNAU-LBPRGKRZSA-N 1 2 322.413 0.003 10 0 DCAELO CC1(C)C[N@@H+](CCNC(=O)N[C@H]2CCc3ncnn3C2)CCO1 ZINC000171870196 158387380 /nfs/dbraw/zinc/38/73/80/158387380.db2.gz ZHKJGDBXXACNAU-LBPRGKRZSA-N 1 2 322.413 0.003 10 0 DCAELO CN(C)c1[nH+]cccc1CNC(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000172542082 158395864 /nfs/dbraw/zinc/39/58/64/158395864.db2.gz ZZISAPLVQLNCOL-AAEUAGOBSA-N 1 2 319.409 0.991 10 0 DCAELO NC(=O)c1cccc(NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000173786407 158409548 /nfs/dbraw/zinc/40/95/48/158409548.db2.gz DCHPSLZETFNFMD-CQSZACIVSA-N 1 2 318.377 0.724 10 0 DCAELO O=C(c1ccco1)N1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263000874 158852233 /nfs/dbraw/zinc/85/22/33/158852233.db2.gz OTTJDUHPTSATNT-JTQLQIEISA-N 1 2 313.304 0.561 10 0 DCAELO O=S1(=O)CCC(C[NH+]2CCN(Cc3ccon3)CC2)CC1 ZINC000328617101 159015766 /nfs/dbraw/zinc/01/57/66/159015766.db2.gz TVQBYGIJAOBLBZ-UHFFFAOYSA-N 1 2 313.423 0.617 10 0 DCAELO CC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+][C@H](c3cccnc3)C2)C1 ZINC000328659132 159017419 /nfs/dbraw/zinc/01/74/19/159017419.db2.gz SEJCNHJDBNWOCO-CVEARBPZSA-N 1 2 316.405 0.813 10 0 DCAELO Cn1nnc2cc(C(=O)N3CC[NH2+][C@H](c4cccnc4)C3)cnc21 ZINC000328653765 159017703 /nfs/dbraw/zinc/01/77/03/159017703.db2.gz LIMCRFKQPSBXTA-AWEZNQCLSA-N 1 2 323.360 0.545 10 0 DCAELO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@H]2COCCN2C)C1 ZINC000328984673 159050032 /nfs/dbraw/zinc/05/00/32/159050032.db2.gz SWLXBTCYESXETR-UONOGXRCSA-N 1 2 306.410 0.532 10 0 DCAELO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000329033757 159053772 /nfs/dbraw/zinc/05/37/72/159053772.db2.gz MCTIFVSUPUTQTQ-HZSPNIEDSA-N 1 2 316.405 0.843 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)C[C@@H]21 ZINC000329167787 159069401 /nfs/dbraw/zinc/06/94/01/159069401.db2.gz ILPCHMWZONKTLV-WDEREUQCSA-N 1 2 324.381 0.089 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)C[C@@H]21 ZINC000329167787 159069403 /nfs/dbraw/zinc/06/94/03/159069403.db2.gz ILPCHMWZONKTLV-WDEREUQCSA-N 1 2 324.381 0.089 10 0 DCAELO c1[nH]nc([C@H]2CCOC2)c1-c1nc([C@H]2C[NH+]3CCN2CC3)no1 ZINC000329579493 159103572 /nfs/dbraw/zinc/10/35/72/159103572.db2.gz KTZHKOPGBRJAIA-CMPLNLGQSA-N 1 2 316.365 0.636 10 0 DCAELO C[C@H]1CCCCN1S(=O)(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000329725124 159114970 /nfs/dbraw/zinc/11/49/70/159114970.db2.gz DKEKTLRUCYPOPM-JSGCOSHPSA-N 1 2 317.455 0.558 10 0 DCAELO C[C@H]1CCCCN1S(=O)(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000329725124 159114973 /nfs/dbraw/zinc/11/49/73/159114973.db2.gz DKEKTLRUCYPOPM-JSGCOSHPSA-N 1 2 317.455 0.558 10 0 DCAELO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CC(=O)N(C)[C@H](C)C1)CCC2 ZINC000332735861 159211468 /nfs/dbraw/zinc/21/14/68/159211468.db2.gz WEVRBFZKEHTHJD-CHWSQXEVSA-N 1 2 319.409 0.941 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCCCN3CCCC3=O)C[C@@H]21 ZINC000408015859 160011776 /nfs/dbraw/zinc/01/17/76/160011776.db2.gz FVIDIMFNTIMEGM-UONOGXRCSA-N 1 2 324.425 0.113 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCCCN3CCCC3=O)C[C@@H]21 ZINC000408015859 160011777 /nfs/dbraw/zinc/01/17/77/160011777.db2.gz FVIDIMFNTIMEGM-UONOGXRCSA-N 1 2 324.425 0.113 10 0 DCAELO COCCCCS(=O)(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000408015778 160012083 /nfs/dbraw/zinc/01/20/83/160012083.db2.gz FKNRNMDBTHLCTB-OLZOCXBDSA-N 1 2 306.428 0.148 10 0 DCAELO COCCCCS(=O)(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000408015778 160012084 /nfs/dbraw/zinc/01/20/84/160012084.db2.gz FKNRNMDBTHLCTB-OLZOCXBDSA-N 1 2 306.428 0.148 10 0 DCAELO CC(C)NC(=O)CCNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000408016663 160012390 /nfs/dbraw/zinc/01/23/90/160012390.db2.gz MGFXTPMQSKKTGR-OLZOCXBDSA-N 1 2 312.414 0.016 10 0 DCAELO CC(C)NC(=O)CCNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000408016663 160012392 /nfs/dbraw/zinc/01/23/92/160012392.db2.gz MGFXTPMQSKKTGR-OLZOCXBDSA-N 1 2 312.414 0.016 10 0 DCAELO CCCCN(C)S(=O)(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000408017386 160012578 /nfs/dbraw/zinc/01/25/78/160012578.db2.gz RQYMVRPQQDYBHD-STQMWFEESA-N 1 2 305.444 0.368 10 0 DCAELO CCCCN(C)S(=O)(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000408017386 160012581 /nfs/dbraw/zinc/01/25/81/160012581.db2.gz RQYMVRPQQDYBHD-STQMWFEESA-N 1 2 305.444 0.368 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)Nc3cccc(C(N)=O)n3)C[C@H]21 ZINC000408044155 160021432 /nfs/dbraw/zinc/02/14/32/160021432.db2.gz TVCXVJGUPLZHAI-NEPJUHHUSA-N 1 2 319.365 0.117 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3cccc(C(N)=O)n3)C[C@H]21 ZINC000408044155 160021433 /nfs/dbraw/zinc/02/14/33/160021433.db2.gz TVCXVJGUPLZHAI-NEPJUHHUSA-N 1 2 319.365 0.117 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)[C@@H]2CCO[C@H](C)C2)[C@H](C)C1 ZINC000408192720 160056756 /nfs/dbraw/zinc/05/67/56/160056756.db2.gz OKPJRRZKHFUNKT-XJFOESAGSA-N 1 2 320.455 0.271 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)[C@@H]2CCO[C@H](C)C2)[C@H](C)C1 ZINC000408192720 160056758 /nfs/dbraw/zinc/05/67/58/160056758.db2.gz OKPJRRZKHFUNKT-XJFOESAGSA-N 1 2 320.455 0.271 10 0 DCAELO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)NC2CCCC2)C[C@H]1C ZINC000408208348 160061148 /nfs/dbraw/zinc/06/11/48/160061148.db2.gz VZUVMXLWYAQMPB-VXGBXAGGSA-N 1 2 305.444 0.150 10 0 DCAELO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)NC2CCCC2)C[C@H]1C ZINC000408208348 160061150 /nfs/dbraw/zinc/06/11/50/160061150.db2.gz VZUVMXLWYAQMPB-VXGBXAGGSA-N 1 2 305.444 0.150 10 0 DCAELO Cc1cnc(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)c(O)c1 ZINC000408223369 160063130 /nfs/dbraw/zinc/06/31/30/160063130.db2.gz ISTJBYURFWWRTA-QWHCGFSZSA-N 1 2 305.378 0.888 10 0 DCAELO C[C@@H]1C[N@@H+]([C@@H]2CCCN(CC(C)(C)C)C2=O)C[C@H](C(N)=O)O1 ZINC000408233539 160065356 /nfs/dbraw/zinc/06/53/56/160065356.db2.gz VUBYIGPCFDSHSL-JHJVBQTASA-N 1 2 311.426 0.598 10 0 DCAELO C[C@@H]1C[N@H+]([C@@H]2CCCN(CC(C)(C)C)C2=O)C[C@H](C(N)=O)O1 ZINC000408233539 160065358 /nfs/dbraw/zinc/06/53/58/160065358.db2.gz VUBYIGPCFDSHSL-JHJVBQTASA-N 1 2 311.426 0.598 10 0 DCAELO CCC1(C(=O)N2CC[NH+]([C@@H](C)C(=O)N3CCOCC3)CC2)CC1 ZINC000408360502 160092118 /nfs/dbraw/zinc/09/21/18/160092118.db2.gz VDRXYYMSMQKLCS-AWEZNQCLSA-N 1 2 323.437 0.568 10 0 DCAELO Cc1c[nH]cc(C(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)c1=O ZINC000408392663 160099095 /nfs/dbraw/zinc/09/90/95/160099095.db2.gz IVMOELBICWOLNZ-ZDUSSCGKSA-N 1 2 315.377 0.546 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)N2CCCC[C@H]2C)C[C@@H]1C ZINC000408433118 160106923 /nfs/dbraw/zinc/10/69/23/160106923.db2.gz KKRYYVQNUWLJKP-RDBSUJKOSA-N 1 2 319.471 0.493 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)N2CCCC[C@H]2C)C[C@@H]1C ZINC000408433118 160106925 /nfs/dbraw/zinc/10/69/25/160106925.db2.gz KKRYYVQNUWLJKP-RDBSUJKOSA-N 1 2 319.471 0.493 10 0 DCAELO Cc1ccncc1S(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000408460713 160113712 /nfs/dbraw/zinc/11/37/12/160113712.db2.gz QOMPORMKAMTZHF-QWHCGFSZSA-N 1 2 313.423 0.466 10 0 DCAELO Cc1ccncc1S(=O)(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000408460713 160113715 /nfs/dbraw/zinc/11/37/15/160113715.db2.gz QOMPORMKAMTZHF-QWHCGFSZSA-N 1 2 313.423 0.466 10 0 DCAELO O=C([C@H]1CSCCS1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000177347423 287054320 /nfs/dbraw/zinc/05/43/20/287054320.db2.gz WSEMXJZDCBIHFW-VXGBXAGGSA-N 1 2 302.465 0.768 10 0 DCAELO CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000245443211 287069231 /nfs/dbraw/zinc/06/92/31/287069231.db2.gz WYJCVPDYTGFVQO-KWQFWETISA-N 1 2 311.304 0.608 10 0 DCAELO CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000245443211 287069232 /nfs/dbraw/zinc/06/92/32/287069232.db2.gz WYJCVPDYTGFVQO-KWQFWETISA-N 1 2 311.304 0.608 10 0 DCAELO C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247220961 287092013 /nfs/dbraw/zinc/09/20/13/287092013.db2.gz VLXMTKDZDPZSJK-NWDGAFQWSA-N 1 2 303.428 0.011 10 0 DCAELO C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247220961 287092017 /nfs/dbraw/zinc/09/20/17/287092017.db2.gz VLXMTKDZDPZSJK-NWDGAFQWSA-N 1 2 303.428 0.011 10 0 DCAELO COCC[N@@H+]1CCN(C(=O)N[C@H](C)C[S@](C)=O)C[C@H]1C ZINC000248506715 287098050 /nfs/dbraw/zinc/09/80/50/287098050.db2.gz WYDPHBQCDLECJI-HTGLOVNISA-N 1 2 305.444 0.116 10 0 DCAELO COCC[N@H+]1CCN(C(=O)N[C@H](C)C[S@](C)=O)C[C@H]1C ZINC000248506715 287098051 /nfs/dbraw/zinc/09/80/51/287098051.db2.gz WYDPHBQCDLECJI-HTGLOVNISA-N 1 2 305.444 0.116 10 0 DCAELO Cc1cn2cc(NC(=O)N3CCN4C(=O)NC[C@H]4C3)ccc2[nH+]1 ZINC000268222793 415180226 /nfs/dbraw/zinc/18/02/26/415180226.db2.gz MHJQAAALGJGNMY-LBPRGKRZSA-N 1 2 314.349 0.884 10 0 DCAELO Cc1cc(C(=O)N(CC2CC2)C[C@H]2C[N@H+](C)CCO2)cnn1 ZINC000276139338 415438509 /nfs/dbraw/zinc/43/85/09/415438509.db2.gz ANEQOQBZFUUEKH-OAHLLOKOSA-N 1 2 304.394 0.968 10 0 DCAELO Cc1cc(C(=O)N(CC2CC2)C[C@H]2C[N@@H+](C)CCO2)cnn1 ZINC000276139338 415438519 /nfs/dbraw/zinc/43/85/19/415438519.db2.gz ANEQOQBZFUUEKH-OAHLLOKOSA-N 1 2 304.394 0.968 10 0 DCAELO Cc1ccccc1C(=O)NCC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000076281332 415457925 /nfs/dbraw/zinc/45/79/25/415457925.db2.gz FBQNLGQKSUYDGS-AWEZNQCLSA-N 1 2 319.405 0.562 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@H]3CCCc4n[nH]cc43)C[C@@H]21 ZINC000284698565 415604216 /nfs/dbraw/zinc/60/42/16/415604216.db2.gz OIDOUVOADNYFHQ-TUKIKUTGSA-N 1 2 304.394 0.761 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@H]3CCCc4n[nH]cc43)C[C@@H]21 ZINC000284698565 415604221 /nfs/dbraw/zinc/60/42/21/415604221.db2.gz OIDOUVOADNYFHQ-TUKIKUTGSA-N 1 2 304.394 0.761 10 0 DCAELO CC(C)CCO[C@@H](C)C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000128082792 415895522 /nfs/dbraw/zinc/89/55/22/415895522.db2.gz REDKORLKLHQIIQ-UONOGXRCSA-N 1 2 302.415 0.247 10 0 DCAELO Cc1cc(F)cc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCOCC2)c1 ZINC000153131352 415975946 /nfs/dbraw/zinc/97/59/46/415975946.db2.gz UVCVUSASCZOAMN-LBPRGKRZSA-N 1 2 323.368 0.910 10 0 DCAELO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@H]1CCCS1(=O)=O ZINC000153556734 415983020 /nfs/dbraw/zinc/98/30/20/415983020.db2.gz WCYKQCGHTPCOBN-HUUCEWRRSA-N 1 2 324.446 0.853 10 0 DCAELO CCC(=O)N1CSC[C@@H]1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000153577692 415984511 /nfs/dbraw/zinc/98/45/11/415984511.db2.gz QKYMVOWLUYSRFK-VXGBXAGGSA-N 1 2 310.423 0.947 10 0 DCAELO Cc1c(F)cccc1NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000173176528 416053944 /nfs/dbraw/zinc/05/39/44/416053944.db2.gz QEYRCSPURUXTMJ-LLVKDONJSA-N 1 2 309.341 0.519 10 0 DCAELO Cc1c(F)cccc1NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000173176528 416053946 /nfs/dbraw/zinc/05/39/46/416053946.db2.gz QEYRCSPURUXTMJ-LLVKDONJSA-N 1 2 309.341 0.519 10 0 DCAELO COC(=O)[C@H]1CCCC[N@@H+]1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000338229967 416061506 /nfs/dbraw/zinc/06/15/06/416061506.db2.gz FERAPGLFJWTIHR-VXGBXAGGSA-N 1 2 304.412 0.295 10 0 DCAELO COC(=O)[C@H]1CCCC[N@H+]1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000338229967 416061509 /nfs/dbraw/zinc/06/15/09/416061509.db2.gz FERAPGLFJWTIHR-VXGBXAGGSA-N 1 2 304.412 0.295 10 0 DCAELO O=C(NCCc1ccccn1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173781459 416065055 /nfs/dbraw/zinc/06/50/55/416065055.db2.gz PPTLDMSLZQIRSD-HNNXBMFYSA-N 1 2 304.394 0.740 10 0 DCAELO COC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000168875891 416025809 /nfs/dbraw/zinc/02/58/09/416025809.db2.gz YFMSHWIICSESQE-STQMWFEESA-N 1 2 318.439 0.686 10 0 DCAELO COC(=O)[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000168875891 416025811 /nfs/dbraw/zinc/02/58/11/416025811.db2.gz YFMSHWIICSESQE-STQMWFEESA-N 1 2 318.439 0.686 10 0 DCAELO Cc1cc(C)n(-c2cncc(NC[C@@H]3C[NH+]4CCN3CC4)n2)n1 ZINC000301782180 416091933 /nfs/dbraw/zinc/09/19/33/416091933.db2.gz NZDBKZLUWKNVDF-CQSZACIVSA-N 1 2 313.409 0.691 10 0 DCAELO Cc1cc(C)n(-c2cncc(NC[C@@H]3CN4CC[NH+]3CC4)n2)n1 ZINC000301782180 416091938 /nfs/dbraw/zinc/09/19/38/416091938.db2.gz NZDBKZLUWKNVDF-CQSZACIVSA-N 1 2 313.409 0.691 10 0 DCAELO COC[C@@H](NC(=O)NC[C@H](C)[NH+]1CCOCC1)c1ccco1 ZINC000175273907 416101493 /nfs/dbraw/zinc/10/14/93/416101493.db2.gz PSVVPQNFOSOKIK-QWHCGFSZSA-N 1 2 311.382 0.987 10 0 DCAELO O=S(=O)(CCCF)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000175596453 416111395 /nfs/dbraw/zinc/11/13/95/416111395.db2.gz NRXNWXHXRPNAFB-ZDUSSCGKSA-N 1 2 308.419 0.863 10 0 DCAELO O=C1c2ccc(F)cc2C(=O)N1C[C@@H](O)C[NH+]1CCOCC1 ZINC000176381480 416126219 /nfs/dbraw/zinc/12/62/19/416126219.db2.gz SCJFEWSQUPCHSN-NSHDSACASA-N 1 2 308.309 0.115 10 0 DCAELO CC(C)C(=O)NCCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177357080 416143552 /nfs/dbraw/zinc/14/35/52/416143552.db2.gz RXOLZVNVAZTLOA-CYBMUJFWSA-N 1 2 307.398 0.829 10 0 DCAELO CNC(=O)[C@@H](NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C(C)C ZINC000178809966 416173887 /nfs/dbraw/zinc/17/38/87/416173887.db2.gz TZHRLTZCNRJIST-JSGCOSHPSA-N 1 2 319.409 0.730 10 0 DCAELO O=C(NC[C@@H]1C[NH+]2CCN1CC2)C(=O)Nc1ccccc1Cl ZINC000178966970 416179527 /nfs/dbraw/zinc/17/95/27/416179527.db2.gz IXBHPSFYVDSYFB-LLVKDONJSA-N 1 2 322.796 0.395 10 0 DCAELO COc1cc(C[N@@H+]2CCCN(S(C)(=O)=O)CC2)ccc1O ZINC000180060490 416193976 /nfs/dbraw/zinc/19/39/76/416193976.db2.gz NNAYUHUZADCLBB-UHFFFAOYSA-N 1 2 314.407 0.868 10 0 DCAELO COc1cc(C[N@H+]2CCCN(S(C)(=O)=O)CC2)ccc1O ZINC000180060490 416193978 /nfs/dbraw/zinc/19/39/78/416193978.db2.gz NNAYUHUZADCLBB-UHFFFAOYSA-N 1 2 314.407 0.868 10 0 DCAELO Cc1noc([C@@H](C)N2CC[NH+](C[C@H](O)C(F)(F)F)CC2)n1 ZINC000181690041 416211291 /nfs/dbraw/zinc/21/12/91/416211291.db2.gz WUMCVOGTAFSHKM-SCZZXKLOSA-N 1 2 308.304 0.980 10 0 DCAELO COC(=O)C1CCC(C(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000341525677 416211549 /nfs/dbraw/zinc/21/15/49/416211549.db2.gz MFIURNYDIYJZCX-CLRIEMFWSA-N 1 2 310.394 0.507 10 0 DCAELO COC(=O)C1CCC(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000341525677 416211554 /nfs/dbraw/zinc/21/15/54/416211554.db2.gz MFIURNYDIYJZCX-CLRIEMFWSA-N 1 2 310.394 0.507 10 0 DCAELO CC(=O)N1CCN(C(=O)C[N@@H+](C)Cc2cnccc2C)CC1 ZINC000331104578 416265012 /nfs/dbraw/zinc/26/50/12/416265012.db2.gz FGDFGZQYLZCRNM-UHFFFAOYSA-N 1 2 304.394 0.513 10 0 DCAELO CC(=O)N1CCN(C(=O)C[N@H+](C)Cc2cnccc2C)CC1 ZINC000331104578 416265015 /nfs/dbraw/zinc/26/50/15/416265015.db2.gz FGDFGZQYLZCRNM-UHFFFAOYSA-N 1 2 304.394 0.513 10 0 DCAELO CCN1C[C@@H](C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)CC1=O ZINC000194653944 416324257 /nfs/dbraw/zinc/32/42/57/416324257.db2.gz XGKRREDCXBKPKX-ZDUSSCGKSA-N 1 2 313.361 0.752 10 0 DCAELO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000361205120 416425412 /nfs/dbraw/zinc/42/54/12/416425412.db2.gz PVCAXPSYWFCUJV-QNWHQSFQSA-N 1 2 313.398 0.489 10 0 DCAELO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000361205120 416425413 /nfs/dbraw/zinc/42/54/13/416425413.db2.gz PVCAXPSYWFCUJV-QNWHQSFQSA-N 1 2 313.398 0.489 10 0 DCAELO OC[C@@H]1CCCN(c2cc(NC[C@@H](O)C(F)F)[nH+]cn2)C1 ZINC000435590917 416525596 /nfs/dbraw/zinc/52/55/96/416525596.db2.gz ANFFNKFLHCJHTH-NXEZZACHSA-N 1 2 302.325 0.723 10 0 DCAELO OC[C@@H]1CCCN(c2cc(NC[C@@H](O)C(F)F)nc[nH+]2)C1 ZINC000435590917 416525600 /nfs/dbraw/zinc/52/56/00/416525600.db2.gz ANFFNKFLHCJHTH-NXEZZACHSA-N 1 2 302.325 0.723 10 0 DCAELO COc1cc2nc(NC[C@H](O)C(F)F)[nH+]c(N)c2cc1OC ZINC000435598834 416526480 /nfs/dbraw/zinc/52/64/80/416526480.db2.gz TUKAVRCSJGUFSZ-QMMMGPOBSA-N 1 2 314.292 0.689 10 0 DCAELO CC(C)c1nn(C)cc1NC(=O)C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000361934891 416526517 /nfs/dbraw/zinc/52/65/17/416526517.db2.gz FNUMQUJZFQQECR-LLVKDONJSA-N 1 2 307.398 0.645 10 0 DCAELO CC(C)c1nn(C)cc1NC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000361934891 416526522 /nfs/dbraw/zinc/52/65/22/416526522.db2.gz FNUMQUJZFQQECR-LLVKDONJSA-N 1 2 307.398 0.645 10 0 DCAELO CO[C@@H]1CN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C[C@@H]1OC ZINC000584207973 416507464 /nfs/dbraw/zinc/50/74/64/416507464.db2.gz LPTWQRVSUPSCLY-TXEJJXNPSA-N 1 2 318.333 0.145 10 0 DCAELO C[C@H]1COCC[N@@H+]1CCNC(=O)Nc1ncn(C(C)(C)C)n1 ZINC000543364622 416638523 /nfs/dbraw/zinc/63/85/23/416638523.db2.gz JKFHEDCTGYFORL-NSHDSACASA-N 1 2 310.402 0.875 10 0 DCAELO C[C@H]1COCC[N@H+]1CCNC(=O)Nc1ncn(C(C)(C)C)n1 ZINC000543364622 416638527 /nfs/dbraw/zinc/63/85/27/416638527.db2.gz JKFHEDCTGYFORL-NSHDSACASA-N 1 2 310.402 0.875 10 0 DCAELO CCCCN(C(=O)C[N@H+](C)CCCO)[C@H]1CCS(=O)(=O)C1 ZINC000440956247 416655941 /nfs/dbraw/zinc/65/59/41/416655941.db2.gz UIWBNWLRSYQXGW-ZDUSSCGKSA-N 1 2 320.455 0.116 10 0 DCAELO CCCCN(C(=O)C[N@@H+](C)CCCO)[C@H]1CCS(=O)(=O)C1 ZINC000440956247 416655945 /nfs/dbraw/zinc/65/59/45/416655945.db2.gz UIWBNWLRSYQXGW-ZDUSSCGKSA-N 1 2 320.455 0.116 10 0 DCAELO O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N[C@@H](CO)CC1CCC1 ZINC000557339061 416731183 /nfs/dbraw/zinc/73/11/83/416731183.db2.gz DFMLHHBZWNIYER-CYBMUJFWSA-N 1 2 316.361 0.940 10 0 DCAELO O=C(NCc1cc[nH]n1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000559286982 416809808 /nfs/dbraw/zinc/80/98/08/416809808.db2.gz FGTIYWLWDMNYSY-UHFFFAOYSA-N 1 2 302.338 0.155 10 0 DCAELO CCO[C@@H]1C[C@@]([NH2+]CCN2CCOCC2)(C(=O)OC)C1(C)C ZINC000444749487 416865594 /nfs/dbraw/zinc/86/55/94/416865594.db2.gz WGYCDPQUQPLGHP-CZUORRHYSA-N 1 2 314.426 0.655 10 0 DCAELO COc1c(N)[nH+]cnc1NCc1nn(C)cc1Br ZINC000393624154 417103202 /nfs/dbraw/zinc/10/32/02/417103202.db2.gz PUJAZZRTDKETIC-UHFFFAOYSA-N 1 2 313.159 1.176 10 0 DCAELO COc1c(N)nc[nH+]c1NCc1nn(C)cc1Br ZINC000393624154 417103209 /nfs/dbraw/zinc/10/32/09/417103209.db2.gz PUJAZZRTDKETIC-UHFFFAOYSA-N 1 2 313.159 1.176 10 0 DCAELO CCOC(=O)c1ccccc1[C@@H]1C[NH2+]CCN1S(N)(=O)=O ZINC000616602820 417085048 /nfs/dbraw/zinc/08/50/48/417085048.db2.gz VOMDTDGBQCRARB-LBPRGKRZSA-N 1 2 313.379 0.013 10 0 DCAELO CC(C)(C)OC(=O)NCC[N@@H+]1CCOC[C@@H](c2nn[nH]n2)C1 ZINC000616664818 417089060 /nfs/dbraw/zinc/08/90/60/417089060.db2.gz ZYISLAILIMYSRZ-JTQLQIEISA-N 1 2 312.374 0.140 10 0 DCAELO CC(C)(C)OC(=O)NCC[N@H+]1CCOC[C@@H](c2nn[nH]n2)C1 ZINC000616664818 417089068 /nfs/dbraw/zinc/08/90/68/417089068.db2.gz ZYISLAILIMYSRZ-JTQLQIEISA-N 1 2 312.374 0.140 10 0 DCAELO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+]2CCC[C@@H]2CS(N)(=O)=O)C1 ZINC000408167086 417147077 /nfs/dbraw/zinc/14/70/77/417147077.db2.gz BVXUAJNFAZJWST-JHJVBQTASA-N 1 2 317.455 0.244 10 0 DCAELO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+]2CCC[C@@H]2CS(N)(=O)=O)C1 ZINC000408167086 417147084 /nfs/dbraw/zinc/14/70/84/417147084.db2.gz BVXUAJNFAZJWST-JHJVBQTASA-N 1 2 317.455 0.244 10 0 DCAELO c1c(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)nnn1CC1CC1 ZINC000450444825 417227040 /nfs/dbraw/zinc/22/70/40/417227040.db2.gz ZSDQAVWKQTZAIS-MRXNPFEDSA-N 1 2 305.426 0.985 10 0 DCAELO c1c(C[N@H+]2CCC[C@@H]2CN2CCOCC2)nnn1CC1CC1 ZINC000450444825 417227046 /nfs/dbraw/zinc/22/70/46/417227046.db2.gz ZSDQAVWKQTZAIS-MRXNPFEDSA-N 1 2 305.426 0.985 10 0 DCAELO C[C@H](COCc1ccccc1)NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638022080 417284946 /nfs/dbraw/zinc/28/49/46/417284946.db2.gz QJUHZOHJOSPJIU-KGLIPLIRSA-N 1 2 319.405 0.528 10 0 DCAELO CCOC(=O)[C@@H]1CN(c2nc[nH+]c(N)c2Cl)CC12COC2 ZINC000450558963 417241144 /nfs/dbraw/zinc/24/11/44/417241144.db2.gz CWGLZCYCKVLYIS-QMMMGPOBSA-N 1 2 312.757 0.728 10 0 DCAELO CCN1CCCN(C(=O)[C@@H]2OCC[C@@H]2Cn2cc[nH+]c2)CC1=O ZINC000621968727 417355518 /nfs/dbraw/zinc/35/55/18/417355518.db2.gz SPXGCHSAWHIBBB-UKRRQHHQSA-N 1 2 320.393 0.369 10 0 DCAELO CCOC(=O)[C@@H]1C[N@H+](Cc2nnc3n2CCCC3)CC12COC2 ZINC000451139587 417305280 /nfs/dbraw/zinc/30/52/80/417305280.db2.gz SDZIDNGKOPSUPC-LBPRGKRZSA-N 1 2 320.393 0.626 10 0 DCAELO CCOC(=O)[C@@H]1C[N@@H+](Cc2nnc3n2CCCC3)CC12COC2 ZINC000451139587 417305285 /nfs/dbraw/zinc/30/52/85/417305285.db2.gz SDZIDNGKOPSUPC-LBPRGKRZSA-N 1 2 320.393 0.626 10 0 DCAELO C[C@@](O)(C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O)C(F)(F)F ZINC000528781278 417390124 /nfs/dbraw/zinc/39/01/24/417390124.db2.gz LRHWLDLREQURLS-KXUCPTDWSA-N 1 2 301.330 0.951 10 0 DCAELO C[C@@](O)(C[N@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O)C(F)(F)F ZINC000528781278 417390131 /nfs/dbraw/zinc/39/01/31/417390131.db2.gz LRHWLDLREQURLS-KXUCPTDWSA-N 1 2 301.330 0.951 10 0 DCAELO O=C(CN1CCCC[C@H](O)C1=O)NCc1cn2c([nH+]1)CCCC2 ZINC000644345515 417542270 /nfs/dbraw/zinc/54/22/70/417542270.db2.gz UXJBYSWJBUKBJC-ZDUSSCGKSA-N 1 2 320.393 0.209 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCCCOCC3CC3)C[C@H]21 ZINC000580474181 417705163 /nfs/dbraw/zinc/70/51/63/417705163.db2.gz SCIDISFZIKSNOG-HUUCEWRRSA-N 1 2 311.426 0.918 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCCCOCC3CC3)C[C@H]21 ZINC000580474181 417705167 /nfs/dbraw/zinc/70/51/67/417705167.db2.gz SCIDISFZIKSNOG-HUUCEWRRSA-N 1 2 311.426 0.918 10 0 DCAELO Cc1nc(C[NH+]2CCC([C@H](O)C(N)=O)CC2)nc2ccccc12 ZINC000299753560 229399541 /nfs/dbraw/zinc/39/95/41/229399541.db2.gz YPULVMUJZDPZMJ-INIZCTEOSA-N 1 2 314.389 0.996 10 0 DCAELO Cc1ccc([C@H](C)[NH2+]CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)o1 ZINC000193637370 261143275 /nfs/dbraw/zinc/14/32/75/261143275.db2.gz LHWKFPQCZYACJM-VIFPVBQESA-N 1 2 320.349 0.101 10 0 DCAELO CC[N@H+](CCC(=O)NCC(=O)c1ccccc1)CC(=O)OC ZINC000358048053 261620737 /nfs/dbraw/zinc/62/07/37/261620737.db2.gz SBAFTUNDAPXKAT-UHFFFAOYSA-N 1 2 306.362 0.871 10 0 DCAELO CC[N@@H+](CCC(=O)NCC(=O)c1ccccc1)CC(=O)OC ZINC000358048053 261620739 /nfs/dbraw/zinc/62/07/39/261620739.db2.gz SBAFTUNDAPXKAT-UHFFFAOYSA-N 1 2 306.362 0.871 10 0 DCAELO Cn1ccc(N2CC[C@@H]([N@H+](CCO)Cc3cccnc3)C2=O)n1 ZINC000362804229 262074683 /nfs/dbraw/zinc/07/46/83/262074683.db2.gz CMOQRHFDQVCFDY-CQSZACIVSA-N 1 2 315.377 0.415 10 0 DCAELO Cn1ccc(N2CC[C@@H]([N@@H+](CCO)Cc3cccnc3)C2=O)n1 ZINC000362804229 262074684 /nfs/dbraw/zinc/07/46/84/262074684.db2.gz CMOQRHFDQVCFDY-CQSZACIVSA-N 1 2 315.377 0.415 10 0 DCAELO Cc1nc(C)c(C(=O)N2CC[NH+]([C@H]3CCCCNC3=O)CC2)o1 ZINC000363040514 262096028 /nfs/dbraw/zinc/09/60/28/262096028.db2.gz WLQOPANLJWDOSU-ZDUSSCGKSA-N 1 2 320.393 0.718 10 0 DCAELO OC[C@@H]1CCCCN1c1cc(NC[C@@H](O)C(F)F)[nH+]cn1 ZINC000435605360 271569353 /nfs/dbraw/zinc/56/93/53/271569353.db2.gz SLRMEFNYJYIPDQ-VHSXEESVSA-N 1 2 302.325 0.866 10 0 DCAELO OC[C@@H]1CCCCN1c1cc(NC[C@@H](O)C(F)F)nc[nH+]1 ZINC000435605360 271569354 /nfs/dbraw/zinc/56/93/54/271569354.db2.gz SLRMEFNYJYIPDQ-VHSXEESVSA-N 1 2 302.325 0.866 10 0 DCAELO CC1=CC[N@H+](CCNC(=O)N2CCCS(=O)(=O)CC2)CC1 ZINC000546590144 288019144 /nfs/dbraw/zinc/01/91/44/288019144.db2.gz SCIQVFVIOPJBFS-UHFFFAOYSA-N 1 2 315.439 0.469 10 0 DCAELO CC1=CC[N@@H+](CCNC(=O)N2CCCS(=O)(=O)CC2)CC1 ZINC000546590144 288019146 /nfs/dbraw/zinc/01/91/46/288019146.db2.gz SCIQVFVIOPJBFS-UHFFFAOYSA-N 1 2 315.439 0.469 10 0 DCAELO CC(C)N1CC[C@@H](NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1=O ZINC000173893321 279519952 /nfs/dbraw/zinc/51/99/52/279519952.db2.gz HXQKHKOATCZUMG-UONOGXRCSA-N 1 2 324.425 0.112 10 0 DCAELO Nc1[nH+]cnc(N2CCN([C@@H]3CCCCNC3=O)CC2)c1Cl ZINC000365495797 279711275 /nfs/dbraw/zinc/71/12/75/279711275.db2.gz DXBLCMLXCCLNEI-SNVBAGLBSA-N 1 2 324.816 0.503 10 0 DCAELO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N(C)Cc1nnnn1C ZINC000328893557 288268484 /nfs/dbraw/zinc/26/84/84/288268484.db2.gz AIWKZPLYRWGKMS-VXGBXAGGSA-N 1 2 315.381 0.336 10 0 DCAELO C[C@@H](Cn1cccn1)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000552703340 288279199 /nfs/dbraw/zinc/27/91/99/288279199.db2.gz UAQFLSHUWNZLDR-NSHDSACASA-N 1 2 312.333 0.674 10 0 DCAELO O=C(NCC1(O)CCCC1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000553071433 288285788 /nfs/dbraw/zinc/28/57/88/288285788.db2.gz QESMZXUWMUTCRN-UHFFFAOYSA-N 1 2 302.334 0.694 10 0 DCAELO CN(Cc1cnn(C)c1)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000560981627 288522754 /nfs/dbraw/zinc/52/27/54/288522754.db2.gz FPFJAFKLNHJSIO-UHFFFAOYSA-N 1 2 312.333 0.665 10 0 DCAELO CN(CC1CC1)C(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000562032319 288556554 /nfs/dbraw/zinc/55/65/54/288556554.db2.gz ARQRWUXGUHEABA-LSDHHAIUSA-N 1 2 323.437 0.614 10 0 DCAELO C[N@@H+]1CCO[C@H](C(=O)N2CCCC[C@@H]2CN2CCOCC2)C1 ZINC000081043300 290100223 /nfs/dbraw/zinc/10/02/23/290100223.db2.gz QFOSOWPAOBGUEV-CABCVRRESA-N 1 2 311.426 0.030 10 0 DCAELO C[N@H+]1CCO[C@H](C(=O)N2CCCC[C@@H]2CN2CCOCC2)C1 ZINC000081043300 290100225 /nfs/dbraw/zinc/10/02/25/290100225.db2.gz QFOSOWPAOBGUEV-CABCVRRESA-N 1 2 311.426 0.030 10 0 DCAELO COC[C@H](C)S(=O)(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000246571985 293057287 /nfs/dbraw/zinc/05/72/87/293057287.db2.gz SPHIDWJBGQSTFM-RWMBFGLXSA-N 1 2 306.428 0.004 10 0 DCAELO CO[C@H](C)CS(=O)(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000195316573 294284560 /nfs/dbraw/zinc/28/45/60/294284560.db2.gz FJVMENNLHMFYEB-ZIAGYGMSSA-N 1 2 320.455 0.538 10 0 DCAELO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000329681551 297090764 /nfs/dbraw/zinc/09/07/64/297090764.db2.gz YJMJKFUBJUVCNZ-UPJWGTAASA-N 1 2 300.424 0.506 10 0 DCAELO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000329681551 297090765 /nfs/dbraw/zinc/09/07/65/297090765.db2.gz YJMJKFUBJUVCNZ-UPJWGTAASA-N 1 2 300.424 0.506 10 0 DCAELO Cc1ccn(CC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)c(=O)c1 ZINC000328867512 302256570 /nfs/dbraw/zinc/25/65/70/302256570.db2.gz GYTZSAYEZYXXBM-UONOGXRCSA-N 1 2 305.378 0.088 10 0 DCAELO Cc1ccn(CC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)c(=O)c1 ZINC000328867512 302256574 /nfs/dbraw/zinc/25/65/74/302256574.db2.gz GYTZSAYEZYXXBM-UONOGXRCSA-N 1 2 305.378 0.088 10 0 DCAELO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)C[C@@H](C)O1 ZINC000177280984 534304424 /nfs/dbraw/zinc/30/44/24/534304424.db2.gz UBXRNPGIIFTLJP-CKYFFXLPSA-N 1 2 310.316 0.621 10 0 DCAELO C[C@@H]1CN(C(=O)C[N@H+]2CC[C@](O)(C(F)(F)F)C2)C[C@@H](C)O1 ZINC000177280984 534304426 /nfs/dbraw/zinc/30/44/26/534304426.db2.gz UBXRNPGIIFTLJP-CKYFFXLPSA-N 1 2 310.316 0.621 10 0 DCAELO CCC[C@@H](NC(N)=O)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000127422677 520766017 /nfs/dbraw/zinc/76/60/17/520766017.db2.gz RVHFPOOQNSRXTB-GFCCVEGCSA-N 1 2 316.365 0.721 10 0 DCAELO COC(=O)[C@H](C)N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC000105915234 523880082 /nfs/dbraw/zinc/88/00/82/523880082.db2.gz VASPOCIDCYQLPX-GJZGRUSLSA-N 1 2 313.442 0.275 10 0 DCAELO C[NH+]1CCN(C(=O)c2ccc(-n3cnnn3)cc2Cl)CC1 ZINC000104195925 523881722 /nfs/dbraw/zinc/88/17/22/523881722.db2.gz PEWHVNTVZCGTEW-UHFFFAOYSA-N 1 2 306.757 0.703 10 0 DCAELO CN1CC[NH+](C[C@@H]2CN(C(=O)/C=C/c3ccc[nH]3)CCO2)CC1 ZINC000364850287 523904898 /nfs/dbraw/zinc/90/48/98/523904898.db2.gz UQRSZQBJMLUUKJ-DWTRPJMMSA-N 1 2 318.421 0.503 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2F)C1 ZINC000118115918 523937323 /nfs/dbraw/zinc/93/73/23/523937323.db2.gz NEBOJOAWCRVDGT-JTQLQIEISA-N 1 2 313.304 0.350 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2F)C1 ZINC000118115918 523937330 /nfs/dbraw/zinc/93/73/30/523937330.db2.gz NEBOJOAWCRVDGT-JTQLQIEISA-N 1 2 313.304 0.350 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)Nc2cccc(-n3ccnn3)c2)C1 ZINC000130226775 523949137 /nfs/dbraw/zinc/94/91/37/523949137.db2.gz KKSLOLZLILYAKJ-CQSZACIVSA-N 1 2 316.365 0.719 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)Nc2cccc(-n3ccnn3)c2)C1 ZINC000130226775 523949143 /nfs/dbraw/zinc/94/91/43/523949143.db2.gz KKSLOLZLILYAKJ-CQSZACIVSA-N 1 2 316.365 0.719 10 0 DCAELO Cc1cc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)nc(C(F)(F)F)n1 ZINC000188815804 524091175 /nfs/dbraw/zinc/09/11/75/524091175.db2.gz ANTKXCFOGICDDQ-SECBINFHSA-N 1 2 318.299 0.864 10 0 DCAELO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)nc(C(F)(F)F)n1 ZINC000188815804 524091178 /nfs/dbraw/zinc/09/11/78/524091178.db2.gz ANTKXCFOGICDDQ-SECBINFHSA-N 1 2 318.299 0.864 10 0 DCAELO CSC[C@H](CCO)Nc1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000156845767 525700574 /nfs/dbraw/zinc/70/05/74/525700574.db2.gz CMNRZUMIOJFSMY-NWDGAFQWSA-N 1 2 312.439 0.964 10 0 DCAELO CSC[C@H](CCO)Nc1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000156845767 525700586 /nfs/dbraw/zinc/70/05/86/525700586.db2.gz CMNRZUMIOJFSMY-NWDGAFQWSA-N 1 2 312.439 0.964 10 0 DCAELO Cc1nc(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c(=O)[nH]c1C ZINC000156535888 526644717 /nfs/dbraw/zinc/64/47/17/526644717.db2.gz NTCVXCYSWNJKRO-MFKMUULPSA-N 1 2 320.393 0.179 10 0 DCAELO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3nc(N)nc(N)n3)C2)n1 ZINC000105884930 526760058 /nfs/dbraw/zinc/76/00/58/526760058.db2.gz LRFAVRQJCLMQGC-LLVKDONJSA-N 1 2 317.401 0.157 10 0 DCAELO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](Cc3nc(N)nc(N)n3)C2)n1 ZINC000105884930 526760062 /nfs/dbraw/zinc/76/00/62/526760062.db2.gz LRFAVRQJCLMQGC-LLVKDONJSA-N 1 2 317.401 0.157 10 0 DCAELO O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)N1CC(CO)C1 ZINC000190600203 526856739 /nfs/dbraw/zinc/85/67/39/526856739.db2.gz QWZYCRXHOWIXTC-INIZCTEOSA-N 1 2 319.405 0.694 10 0 DCAELO CC(C)OCCN1CC[NH+](C[C@@H](O)CN2CCCC2=O)CC1 ZINC000175291329 527964105 /nfs/dbraw/zinc/96/41/05/527964105.db2.gz QXURHUWSBHZABP-OAHLLOKOSA-N 1 2 313.442 0.012 10 0 DCAELO CCc1cc(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)n(C)n1 ZINC000284593628 536151788 /nfs/dbraw/zinc/15/17/88/536151788.db2.gz MMFIWSBRRHLGPH-CHWSQXEVSA-N 1 2 307.398 0.919 10 0 DCAELO CCc1cc(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)n(C)n1 ZINC000284593628 536151792 /nfs/dbraw/zinc/15/17/92/536151792.db2.gz MMFIWSBRRHLGPH-CHWSQXEVSA-N 1 2 307.398 0.919 10 0 DCAELO CNC(=O)NC1CN(C(=O)NCc2cn3c([nH+]2)CCCC3)C1 ZINC000283689995 536330518 /nfs/dbraw/zinc/33/05/18/536330518.db2.gz OWPYRMSVDCUNQS-UHFFFAOYSA-N 1 2 306.370 0.042 10 0 DCAELO C[C@@H]1CC[C@@H](CCC(=O)NC[C@H](O)C[NH+]2CCOCC2)O1 ZINC000133132009 545797579 /nfs/dbraw/zinc/79/75/79/545797579.db2.gz QEGAMNILBPMPBQ-RDBSUJKOSA-N 1 2 300.399 0.143 10 0 DCAELO C[C@H](CNC(=O)c1[nH]nnc1-c1ccccc1)[NH+]1CCOCC1 ZINC000189054307 545919351 /nfs/dbraw/zinc/91/93/51/545919351.db2.gz NRNYUHVLKLPCHI-GFCCVEGCSA-N 1 2 315.377 0.922 10 0 DCAELO COc1cccc(CNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)n1 ZINC000332774297 546059935 /nfs/dbraw/zinc/05/99/35/546059935.db2.gz QHFFIJBDZMSKSO-ZIAGYGMSSA-N 1 2 320.393 0.705 10 0 DCAELO COc1cccc(CNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)n1 ZINC000332774297 546059939 /nfs/dbraw/zinc/05/99/39/546059939.db2.gz QHFFIJBDZMSKSO-ZIAGYGMSSA-N 1 2 320.393 0.705 10 0 DCAELO CC(C)C[C@@H]1NC(=O)N(CN2CC[C@@H]([NH+]3CCOCC3)C2)C1=O ZINC000246868967 657649595 /nfs/dbraw/zinc/64/95/95/657649595.db2.gz GABZZYNUFKXXNF-KGLIPLIRSA-N 1 2 324.425 0.317 10 0 DCAELO CC(C)C[C@@H]1NC(=O)N(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)C1=O ZINC000246868967 657649602 /nfs/dbraw/zinc/64/96/02/657649602.db2.gz GABZZYNUFKXXNF-KGLIPLIRSA-N 1 2 324.425 0.317 10 0 DCAELO CC(C)C[C@@H]1NC(=O)N(C[N@H+]2CC[C@@H](N3CCOCC3)C2)C1=O ZINC000246868967 657649606 /nfs/dbraw/zinc/64/96/06/657649606.db2.gz GABZZYNUFKXXNF-KGLIPLIRSA-N 1 2 324.425 0.317 10 0 DCAELO COC(=O)[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@H]2c2cnn(C)c2)C1 ZINC000181369226 665560701 /nfs/dbraw/zinc/56/07/01/665560701.db2.gz YAEOWTFONRBBOV-YPMHNXCESA-N 1 2 306.366 0.536 10 0 DCAELO COC(=O)[C@@H]1CC(=O)N(C[N@H+]2CCC[C@H]2c2cnn(C)c2)C1 ZINC000181369226 665560702 /nfs/dbraw/zinc/56/07/02/665560702.db2.gz YAEOWTFONRBBOV-YPMHNXCESA-N 1 2 306.366 0.536 10 0 DCAELO COC(=O)[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)C1 ZINC000181383335 665567930 /nfs/dbraw/zinc/56/79/30/665567930.db2.gz GWSIHNABTMDCLU-KGLIPLIRSA-N 1 2 320.393 0.635 10 0 DCAELO COC(=O)[C@@H]1CC(=O)N(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)C1 ZINC000181383335 665567932 /nfs/dbraw/zinc/56/79/32/665567932.db2.gz GWSIHNABTMDCLU-KGLIPLIRSA-N 1 2 320.393 0.635 10 0 DCAELO COC(=O)[C@@H]1CC(=O)N(C[N@H+]2CCC[C@H]2Cn2ccnc2C)C1 ZINC000181383335 665567936 /nfs/dbraw/zinc/56/79/36/665567936.db2.gz GWSIHNABTMDCLU-KGLIPLIRSA-N 1 2 320.393 0.635 10 0 DCAELO C[C@@H](CNC(=O)N[C@@H](C)c1nnnn1C1CC1)[NH+]1CCOCC1 ZINC000190979240 659378923 /nfs/dbraw/zinc/37/89/23/659378923.db2.gz ATDYIYYGLQAQQT-QWRGUYRKSA-N 1 2 323.401 0.089 10 0 DCAELO CC(C)c1[nH+]c2c(n1C)CCN(CN1CC(=O)N(C)C1=O)C2 ZINC000182283164 665769837 /nfs/dbraw/zinc/76/98/37/665769837.db2.gz WHQZZMQVYDKBKU-UHFFFAOYSA-N 1 2 305.382 0.753 10 0 DCAELO CCS(=O)(=O)CC[NH2+][C@H]1CCS(=O)(=O)c2ccccc21 ZINC000229553207 664605393 /nfs/dbraw/zinc/60/53/93/664605393.db2.gz OOHZRDBFEGSLKN-LBPRGKRZSA-N 1 2 317.432 0.929 10 0 DCAELO C[C@@H](O)CN1CC[N@@H+](CCCNC(=O)C(F)(F)F)C[C@H]1C ZINC000154810388 665183205 /nfs/dbraw/zinc/18/32/05/665183205.db2.gz ATMFMPHCVPRDEA-GHMZBOCLSA-N 1 2 311.348 0.442 10 0 DCAELO C[C@@H](O)CN1CC[N@H+](CCCNC(=O)C(F)(F)F)C[C@H]1C ZINC000154810388 665183204 /nfs/dbraw/zinc/18/32/04/665183204.db2.gz ATMFMPHCVPRDEA-GHMZBOCLSA-N 1 2 311.348 0.442 10 0 DCAELO Cc1nn(C)cc1S(=O)(=O)NC[C@@H]1CCn2cc[nH+]c2C1 ZINC000585082797 666170608 /nfs/dbraw/zinc/17/06/08/666170608.db2.gz JZPPOIDEQRVWGU-LLVKDONJSA-N 1 2 309.395 0.466 10 0 DCAELO C[C@H](O)[C@@H](O)C[NH2+]Cc1c(Cl)cccc1S(C)(=O)=O ZINC000717319364 667556468 /nfs/dbraw/zinc/55/64/68/667556468.db2.gz CMYQZBCIVSBEDL-KWQFWETISA-N 1 2 307.799 0.575 10 0 DCAELO CCOCCCNC(=S)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000135030590 667563679 /nfs/dbraw/zinc/56/36/79/667563679.db2.gz XRVKRRROPJNKSQ-ZDUSSCGKSA-N 1 2 301.456 0.694 10 0 DCAELO CCn1cccc1C[NH+]1CCN([C@]2(C(N)=O)CCOC2)CC1 ZINC000886026697 667725412 /nfs/dbraw/zinc/72/54/12/667725412.db2.gz KEZHARCSLDXCMP-MRXNPFEDSA-N 1 2 306.410 0.270 10 0 DCAELO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCc1nccc(N)n1 ZINC000886035902 667726711 /nfs/dbraw/zinc/72/67/11/667726711.db2.gz PFMZHKXBGUVSIK-VXGBXAGGSA-N 1 2 312.377 0.843 10 0 DCAELO CCS(=O)(=O)CC[NH2+]Cc1cn(C)nc1Br ZINC000712447402 670148835 /nfs/dbraw/zinc/14/88/35/670148835.db2.gz KVGFJUPXLIUMSQ-UHFFFAOYSA-N 1 2 310.217 0.707 10 0 DCAELO CC(C)[C@@]1(C)CC(=O)N(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)C1=O ZINC000246791201 685167069 /nfs/dbraw/zinc/16/70/69/685167069.db2.gz ALSJXUNKLLCNPD-RHSMWYFYSA-N 1 2 323.437 0.772 10 0 DCAELO CC(C)[C@@]1(C)CC(=O)N(C[N@H+]2CC[C@@H](N3CCOCC3)C2)C1=O ZINC000246791201 685167078 /nfs/dbraw/zinc/16/70/78/685167078.db2.gz ALSJXUNKLLCNPD-RHSMWYFYSA-N 1 2 323.437 0.772 10 0 DCAELO CC(C)[C@@]1(C)CC(=O)N(CN2CC[C@@H]([NH+]3CCOCC3)C2)C1=O ZINC000246791201 685167085 /nfs/dbraw/zinc/16/70/85/685167085.db2.gz ALSJXUNKLLCNPD-RHSMWYFYSA-N 1 2 323.437 0.772 10 0 DCAELO CNC(=O)CC(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000186861469 529844847 /nfs/dbraw/zinc/84/48/47/529844847.db2.gz CLTZAXKYZCJCLW-UHFFFAOYSA-N 1 2 305.378 0.902 10 0 DCAELO C[N@@H+](CC(N)=O)C[C@@H]1CN(C/C=C/c2ccc(F)cc2)CCO1 ZINC000275820257 529851726 /nfs/dbraw/zinc/85/17/26/529851726.db2.gz UQRAXKPAWVGHKG-WOMSROEHSA-N 1 2 321.396 0.957 10 0 DCAELO C[N@H+](CC(N)=O)C[C@@H]1CN(C/C=C/c2ccc(F)cc2)CCO1 ZINC000275820257 529851727 /nfs/dbraw/zinc/85/17/27/529851727.db2.gz UQRAXKPAWVGHKG-WOMSROEHSA-N 1 2 321.396 0.957 10 0 DCAELO CN(CC(N)=O)C[C@@H]1C[N@H+](C/C=C/c2ccc(F)cc2)CCO1 ZINC000275820257 529851729 /nfs/dbraw/zinc/85/17/29/529851729.db2.gz UQRAXKPAWVGHKG-WOMSROEHSA-N 1 2 321.396 0.957 10 0 DCAELO CN(CC(N)=O)C[C@@H]1C[N@@H+](C/C=C/c2ccc(F)cc2)CCO1 ZINC000275820257 529851731 /nfs/dbraw/zinc/85/17/31/529851731.db2.gz UQRAXKPAWVGHKG-WOMSROEHSA-N 1 2 321.396 0.957 10 0 DCAELO CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)CNC(=O)c1ccccc1 ZINC000074884949 545673590 /nfs/dbraw/zinc/67/35/90/545673590.db2.gz QKBXTTGJTMKDPJ-AWEZNQCLSA-N 1 2 305.378 0.205 10 0 DCAELO CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)CNC(=O)c1ccccc1 ZINC000074884949 545673595 /nfs/dbraw/zinc/67/35/95/545673595.db2.gz QKBXTTGJTMKDPJ-AWEZNQCLSA-N 1 2 305.378 0.205 10 0 DCAELO Cc1cc(C(=O)NC[C@H]2C[N@H+](C)CCO2)ccc1-n1cncn1 ZINC000173338261 186178517 /nfs/dbraw/zinc/17/85/17/186178517.db2.gz BWTSIBDKLDCNDD-AWEZNQCLSA-N 1 2 315.377 0.636 10 0 DCAELO Cc1cc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)ccc1-n1cncn1 ZINC000173338261 186178519 /nfs/dbraw/zinc/17/85/19/186178519.db2.gz BWTSIBDKLDCNDD-AWEZNQCLSA-N 1 2 315.377 0.636 10 0 DCAELO CNC(=O)CN1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000072857050 191239207 /nfs/dbraw/zinc/23/92/07/191239207.db2.gz KKJUVQKKKPOPKN-UHFFFAOYSA-N 1 2 313.405 0.736 10 0 DCAELO CNC(=O)C[NH+]1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000072857050 191239210 /nfs/dbraw/zinc/23/92/10/191239210.db2.gz KKJUVQKKKPOPKN-UHFFFAOYSA-N 1 2 313.405 0.736 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)Cn2cccn2)nc[nH+]1 ZINC000173439520 198214894 /nfs/dbraw/zinc/21/48/94/198214894.db2.gz JWSKHKQJNLUFBW-GFCCVEGCSA-N 1 2 315.381 0.500 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)Cn2cccn2)[nH+]cn1 ZINC000173439520 198214895 /nfs/dbraw/zinc/21/48/95/198214895.db2.gz JWSKHKQJNLUFBW-GFCCVEGCSA-N 1 2 315.381 0.500 10 0 DCAELO C[C@@H]1CN(C(=O)c2ccc(N(C)C)nc2)C[C@@H]1[NH+]1CCOCC1 ZINC000173855011 198260802 /nfs/dbraw/zinc/26/08/02/198260802.db2.gz WCHKOZKFHGPVKA-HIFRSBDPSA-N 1 2 318.421 0.940 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc3[nH]ccc3c2)C1 ZINC000174905919 198399298 /nfs/dbraw/zinc/39/92/98/198399298.db2.gz ZXDCFBIOJBMBBV-ZDUSSCGKSA-N 1 2 316.361 0.553 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc3[nH]ccc3c2)C1 ZINC000174905919 198399300 /nfs/dbraw/zinc/39/93/00/198399300.db2.gz ZXDCFBIOJBMBBV-ZDUSSCGKSA-N 1 2 316.361 0.553 10 0 DCAELO CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(c2cc(OC)ncn2)CC1 ZINC000184064076 199668041 /nfs/dbraw/zinc/66/80/41/199668041.db2.gz GJFUGIUWZJPQMD-QWHCGFSZSA-N 1 2 321.425 0.910 10 0 DCAELO CN1C[C@H](C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CC1=O ZINC000110953127 283226338 /nfs/dbraw/zinc/22/63/38/283226338.db2.gz TTZIUSKVKVREGM-ZIAGYGMSSA-N 1 2 309.410 0.178 10 0 DCAELO CC[C@@H](CO)[NH+]1CCN(C(=O)[C@@H]2CCCc3[nH]ncc32)CC1 ZINC000179414080 199031075 /nfs/dbraw/zinc/03/10/75/199031075.db2.gz JWLOSCDUTWMSPF-QWHCGFSZSA-N 1 2 306.410 0.745 10 0 DCAELO Cc1cc(C(C)C)nc(N2CC[NH+]([C@H]3CCNC3=O)CC2)n1 ZINC000186879563 237330284 /nfs/dbraw/zinc/33/02/84/237330284.db2.gz NDGFJIVILIJZJS-AWEZNQCLSA-N 1 2 303.410 0.919 10 0 DCAELO COc1ccc(S(=O)(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1 ZINC000188724925 200294216 /nfs/dbraw/zinc/29/42/16/200294216.db2.gz LMXFGCNDMIJBFS-LBPRGKRZSA-N 1 2 314.407 0.382 10 0 DCAELO COc1ccc(S(=O)(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1 ZINC000188724925 200294217 /nfs/dbraw/zinc/29/42/17/200294217.db2.gz LMXFGCNDMIJBFS-LBPRGKRZSA-N 1 2 314.407 0.382 10 0 DCAELO CC[C@@H]1C[N@H+](CC(=O)NCCC(=O)OC)CCN1CC(F)F ZINC000153708869 291208221 /nfs/dbraw/zinc/20/82/21/291208221.db2.gz OYWBCOFUAIJGQS-LLVKDONJSA-N 1 2 321.368 0.327 10 0 DCAELO CC[C@@H]1C[N@@H+](CC(=O)NCCC(=O)OC)CCN1CC(F)F ZINC000153708869 291208222 /nfs/dbraw/zinc/20/82/22/291208222.db2.gz OYWBCOFUAIJGQS-LLVKDONJSA-N 1 2 321.368 0.327 10 0 DCAELO O=C1CNC(=O)N1CC[N@@H+]1CCC[C@@H]1c1nc2c([nH]1)CCCC2 ZINC000275933284 238314868 /nfs/dbraw/zinc/31/48/68/238314868.db2.gz KTCRHBGOGMTLBB-CYBMUJFWSA-N 1 2 317.393 0.977 10 0 DCAELO O=C1CNC(=O)N1CC[N@H+]1CCC[C@@H]1c1nc2c([nH]1)CCCC2 ZINC000275933284 238314876 /nfs/dbraw/zinc/31/48/76/238314876.db2.gz KTCRHBGOGMTLBB-CYBMUJFWSA-N 1 2 317.393 0.977 10 0 DCAELO O=C1CNC(=O)N1CCN1CCC[C@@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000275933284 238314883 /nfs/dbraw/zinc/31/48/83/238314883.db2.gz KTCRHBGOGMTLBB-CYBMUJFWSA-N 1 2 317.393 0.977 10 0 DCAELO Cn1ccnc1[C@H]1CN(C(=O)NCCn2cc[nH+]c2)CCN1C ZINC000276219113 238318640 /nfs/dbraw/zinc/31/86/40/238318640.db2.gz JEUIFGUXZBZDQC-CYBMUJFWSA-N 1 2 317.397 0.315 10 0 DCAELO Cn1nccc1NC(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000328630348 291259525 /nfs/dbraw/zinc/25/95/25/291259525.db2.gz JHFWVQSTNMBSQT-CYBMUJFWSA-N 1 2 307.398 0.995 10 0 DCAELO Cn1nccc1NC(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000328630348 291259527 /nfs/dbraw/zinc/25/95/27/291259527.db2.gz JHFWVQSTNMBSQT-CYBMUJFWSA-N 1 2 307.398 0.995 10 0 DCAELO Cn1cc(C(=O)NC[C@H](O)C[NH+]2CCOCC2)c(C(C)(C)C)n1 ZINC000092237392 193177941 /nfs/dbraw/zinc/17/79/41/193177941.db2.gz FJLHHVAZVWEUGD-LBPRGKRZSA-N 1 2 324.425 0.141 10 0 DCAELO COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000377155957 291439991 /nfs/dbraw/zinc/43/99/91/291439991.db2.gz WAKPNKZMLGAPGZ-QLFBSQMISA-N 1 2 324.421 0.899 10 0 DCAELO Cc1cc([C@H]2CCCN(C(=O)NC[C@H]3C[N@H+](C)CCO3)C2)[nH]n1 ZINC000282554055 217085735 /nfs/dbraw/zinc/08/57/35/217085735.db2.gz XLBHSTQUQXSICQ-KBPBESRZSA-N 1 2 321.425 0.938 10 0 DCAELO Cc1cc([C@H]2CCCN(C(=O)NC[C@H]3C[N@@H+](C)CCO3)C2)[nH]n1 ZINC000282554055 217085737 /nfs/dbraw/zinc/08/57/37/217085737.db2.gz XLBHSTQUQXSICQ-KBPBESRZSA-N 1 2 321.425 0.938 10 0 DCAELO Cc1cc([C@H]2CCCN(C(=O)NC[C@H]3C[N@H+](C)CCO3)C2)n[nH]1 ZINC000282554055 217085741 /nfs/dbraw/zinc/08/57/41/217085741.db2.gz XLBHSTQUQXSICQ-KBPBESRZSA-N 1 2 321.425 0.938 10 0 DCAELO Cc1cc([C@H]2CCCN(C(=O)NC[C@H]3C[N@@H+](C)CCO3)C2)n[nH]1 ZINC000282554055 217085742 /nfs/dbraw/zinc/08/57/42/217085742.db2.gz XLBHSTQUQXSICQ-KBPBESRZSA-N 1 2 321.425 0.938 10 0 DCAELO CCOC(=O)C1(O)CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000265772679 204861913 /nfs/dbraw/zinc/86/19/13/204861913.db2.gz JKIAPHYQBGDEDF-UHFFFAOYSA-N 1 2 305.338 0.258 10 0 DCAELO C[C@@H]1C(=O)NCCC[N@H+]1CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000249023565 296260043 /nfs/dbraw/zinc/26/00/43/296260043.db2.gz KNUMPGKJLQMPJW-MCIONIFRSA-N 1 2 309.410 0.367 10 0 DCAELO C[C@@H]1C(=O)NCCC[N@@H+]1CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000249023565 296260044 /nfs/dbraw/zinc/26/00/44/296260044.db2.gz KNUMPGKJLQMPJW-MCIONIFRSA-N 1 2 309.410 0.367 10 0 DCAELO C[C@@H]1C(=O)NCCC[N@H+]1CC(=O)NC(=O)NC1CCCCC1 ZINC000189337661 296260073 /nfs/dbraw/zinc/26/00/73/296260073.db2.gz YXGYSIICLZHRRP-LLVKDONJSA-N 1 2 310.398 0.355 10 0 DCAELO C[C@@H]1C(=O)NCCC[N@@H+]1CC(=O)NC(=O)NC1CCCCC1 ZINC000189337661 296260077 /nfs/dbraw/zinc/26/00/77/296260077.db2.gz YXGYSIICLZHRRP-LLVKDONJSA-N 1 2 310.398 0.355 10 0 DCAELO CCN1CCN(C(=O)[C@@]2(O)CCSC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000328614603 285304652 /nfs/dbraw/zinc/30/46/52/285304652.db2.gz ALZCHUCWIJUZEH-SMDDNHRTSA-N 1 2 310.423 0.483 10 0 DCAELO CNC(=O)[C@@H]1C[C@H]2CC[N@H+](Cc3cccnc3OC)C[C@@H]2O1 ZINC000247915579 257115176 /nfs/dbraw/zinc/11/51/76/257115176.db2.gz ZEQXASBYTWJBFC-XBFCOCLRSA-N 1 2 305.378 0.816 10 0 DCAELO CNC(=O)[C@@H]1C[C@H]2CC[N@@H+](Cc3cccnc3OC)C[C@@H]2O1 ZINC000247915579 257115178 /nfs/dbraw/zinc/11/51/78/257115178.db2.gz ZEQXASBYTWJBFC-XBFCOCLRSA-N 1 2 305.378 0.816 10 0 DCAELO COCCNC(=O)[C@@H]1C[C@H]2CC[N@H+](Cc3cc(C)on3)C[C@H]2O1 ZINC000247907828 257115424 /nfs/dbraw/zinc/11/54/24/257115424.db2.gz KMDCUXSKSQYMNB-VHDGCEQUSA-N 1 2 323.393 0.725 10 0 DCAELO COCCNC(=O)[C@@H]1C[C@H]2CC[N@@H+](Cc3cc(C)on3)C[C@H]2O1 ZINC000247907828 257115425 /nfs/dbraw/zinc/11/54/25/257115425.db2.gz KMDCUXSKSQYMNB-VHDGCEQUSA-N 1 2 323.393 0.725 10 0 DCAELO O=C([C@@H]1CN(c2ncccn2)Cc2c[nH+]cn21)N1CCCO1 ZINC000247841052 257116053 /nfs/dbraw/zinc/11/60/53/257116053.db2.gz FMLYQIDPGHYKTG-LBPRGKRZSA-N 1 2 300.322 0.398 10 0 DCAELO Cn1cc[nH+]c1[C@H]1CN(C(=O)NCCn2cccc2)CCN1C ZINC000275339783 130306111 /nfs/dbraw/zinc/30/61/11/130306111.db2.gz ATKCUNNIWGFRSD-CQSZACIVSA-N 1 2 316.409 0.920 10 0 DCAELO C[C@@H]1OCC[C@H]1NC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000275569593 130337913 /nfs/dbraw/zinc/33/79/13/130337913.db2.gz ISUPUWWTSILEOR-XQQFMLRXSA-N 1 2 307.398 0.596 10 0 DCAELO CN(C)C(=O)COC[C@@H]1CN(Cc2[nH]cc[nH+]2)CC(C)(C)O1 ZINC000284477237 131084714 /nfs/dbraw/zinc/08/47/14/131084714.db2.gz GGRKOEDHPPQEDF-LBPRGKRZSA-N 1 2 310.398 0.494 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3nccn4ccnc34)C[C@H]21 ZINC000284528821 131089605 /nfs/dbraw/zinc/08/96/05/131089605.db2.gz CIIBXGQHPYMAHN-VXGBXAGGSA-N 1 2 301.350 0.274 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3nccn4ccnc34)C[C@H]21 ZINC000284528821 131089607 /nfs/dbraw/zinc/08/96/07/131089607.db2.gz CIIBXGQHPYMAHN-VXGBXAGGSA-N 1 2 301.350 0.274 10 0 DCAELO Cc1c(Cl)cccc1S(=O)(=O)N1CC[NH+](CCO)CC1 ZINC000035234346 395719712 /nfs/dbraw/zinc/71/97/12/395719712.db2.gz AKQZCLAAFJYMDH-UHFFFAOYSA-N 1 2 318.826 0.947 10 0 DCAELO CCOc1ccc(OCC(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000194638977 395803643 /nfs/dbraw/zinc/80/36/43/395803643.db2.gz HFNSXDXVTHASMX-OAHLLOKOSA-N 1 2 308.378 0.911 10 0 DCAELO CCOc1ccc(OCC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000194638977 395803647 /nfs/dbraw/zinc/80/36/47/395803647.db2.gz HFNSXDXVTHASMX-OAHLLOKOSA-N 1 2 308.378 0.911 10 0 DCAELO CCOC1CC(CNC(=O)[C@H](C)COC)([NH+]2CCOCC2)C1 ZINC000195200086 395821005 /nfs/dbraw/zinc/82/10/05/395821005.db2.gz HXLGXTJFGBGTBR-VQCLRJIVSA-N 1 2 314.426 0.655 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2cccc(Cl)c2)C1 ZINC000118115553 395859691 /nfs/dbraw/zinc/85/96/91/395859691.db2.gz PCELVQWZPABZOW-GFCCVEGCSA-N 1 2 311.769 0.725 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2cccc(Cl)c2)C1 ZINC000118115553 395859694 /nfs/dbraw/zinc/85/96/94/395859694.db2.gz PCELVQWZPABZOW-GFCCVEGCSA-N 1 2 311.769 0.725 10 0 DCAELO Cc1cc(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCO2)ccc1F ZINC000118115293 395860427 /nfs/dbraw/zinc/86/04/27/395860427.db2.gz QAIRJIKTXZLXPH-LBPRGKRZSA-N 1 2 309.341 0.519 10 0 DCAELO Cc1cc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCO2)ccc1F ZINC000118115293 395860428 /nfs/dbraw/zinc/86/04/28/395860428.db2.gz QAIRJIKTXZLXPH-LBPRGKRZSA-N 1 2 309.341 0.519 10 0 DCAELO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)cc1 ZINC000116892399 395848922 /nfs/dbraw/zinc/84/89/22/395848922.db2.gz GHNHDNNOEZTQNF-CYBMUJFWSA-N 1 2 311.407 0.557 10 0 DCAELO Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)cc1 ZINC000116892399 395848924 /nfs/dbraw/zinc/84/89/24/395848924.db2.gz GHNHDNNOEZTQNF-CYBMUJFWSA-N 1 2 311.407 0.557 10 0 DCAELO Cc1nn(C)c(Cl)c1C[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000116890437 395849033 /nfs/dbraw/zinc/84/90/33/395849033.db2.gz QICJDPWDSMHECM-SECBINFHSA-N 1 2 306.819 0.505 10 0 DCAELO Cc1nn(C)c(Cl)c1C[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000116890437 395849034 /nfs/dbraw/zinc/84/90/34/395849034.db2.gz QICJDPWDSMHECM-SECBINFHSA-N 1 2 306.819 0.505 10 0 DCAELO CC(C)n1nccc1NC(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000125828072 395906341 /nfs/dbraw/zinc/90/63/41/395906341.db2.gz GOMQYEYDAUNFSL-GFCCVEGCSA-N 1 2 311.386 0.279 10 0 DCAELO Cc1cnc(CCN(C)C(=O)NC[C@@H]2C[N@H+](C)CCO2)s1 ZINC000119166128 395868247 /nfs/dbraw/zinc/86/82/47/395868247.db2.gz ORXPILCBTXPGDI-GFCCVEGCSA-N 1 2 312.439 0.966 10 0 DCAELO Cc1cnc(CCN(C)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)s1 ZINC000119166128 395868249 /nfs/dbraw/zinc/86/82/49/395868249.db2.gz ORXPILCBTXPGDI-GFCCVEGCSA-N 1 2 312.439 0.966 10 0 DCAELO C[C@@H](CNC(=O)c1cccc(-n2cccn2)n1)[NH+]1CCOCC1 ZINC000135373012 395939509 /nfs/dbraw/zinc/93/95/09/395939509.db2.gz HDJUERQYJBNLBS-ZDUSSCGKSA-N 1 2 315.377 0.718 10 0 DCAELO COc1cccc([C@@H]2C[C@@H]2C(=O)NC[C@H]2C[NH+]3CCN2CC3)c1 ZINC000246103148 395941541 /nfs/dbraw/zinc/94/15/41/395941541.db2.gz LOUSCTJATXUTTA-XIRDDKMYSA-N 1 2 315.417 0.915 10 0 DCAELO C[C@H]1CN(S(=O)(=O)c2cccnc2)C[C@H]1[NH+]1CCOCC1 ZINC000246405965 395948767 /nfs/dbraw/zinc/94/87/67/395948767.db2.gz DRKKBNTUCUSAGX-GXTWGEPZSA-N 1 2 311.407 0.423 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@@H](O)c2ccccc2F)C1 ZINC000246514118 395951901 /nfs/dbraw/zinc/95/19/01/395951901.db2.gz UXOWAJXHZDZKSX-SMDDNHRTSA-N 1 2 311.357 0.489 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)NC[C@@H](O)c2ccccc2F)C1 ZINC000246514118 395951903 /nfs/dbraw/zinc/95/19/03/395951903.db2.gz UXOWAJXHZDZKSX-SMDDNHRTSA-N 1 2 311.357 0.489 10 0 DCAELO Cc1cc(NC(=O)CN2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n(C)n1 ZINC000246619976 395954102 /nfs/dbraw/zinc/95/41/02/395954102.db2.gz YRQUDJGDJUTNIE-JSGCOSHPSA-N 1 2 321.425 0.320 10 0 DCAELO CCOCC[N@@H+]1CCN(S(=O)(=O)C[C@H]2CCOC2)C[C@@H]1C ZINC000246911009 395960976 /nfs/dbraw/zinc/96/09/76/395960976.db2.gz AVIYMDYBMCAQON-KBPBESRZSA-N 1 2 320.455 0.395 10 0 DCAELO CCOCC[N@H+]1CCN(S(=O)(=O)C[C@H]2CCOC2)C[C@@H]1C ZINC000246911009 395960978 /nfs/dbraw/zinc/96/09/78/395960978.db2.gz AVIYMDYBMCAQON-KBPBESRZSA-N 1 2 320.455 0.395 10 0 DCAELO C[C@H](CS(C)(=O)=O)NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000247224418 395969769 /nfs/dbraw/zinc/96/97/69/395969769.db2.gz MLCDBQLEVQKBGI-NEPJUHHUSA-N 1 2 303.428 0.299 10 0 DCAELO C[C@H](CS(C)(=O)=O)NC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000247224418 395969772 /nfs/dbraw/zinc/96/97/72/395969772.db2.gz MLCDBQLEVQKBGI-NEPJUHHUSA-N 1 2 303.428 0.299 10 0 DCAELO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCS1(=O)=O ZINC000247236797 395970011 /nfs/dbraw/zinc/97/00/11/395970011.db2.gz XHGUCYAIFWRYQR-OLZOCXBDSA-N 1 2 302.440 0.943 10 0 DCAELO CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCS1(=O)=O ZINC000247236797 395970013 /nfs/dbraw/zinc/97/00/13/395970013.db2.gz XHGUCYAIFWRYQR-OLZOCXBDSA-N 1 2 302.440 0.943 10 0 DCAELO Cc1ccc(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1C(N)=O ZINC000150837042 395973171 /nfs/dbraw/zinc/97/31/71/395973171.db2.gz KVZZYTBJKGXGKQ-GFCCVEGCSA-N 1 2 306.366 0.546 10 0 DCAELO Cc1ccc(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1C(N)=O ZINC000150837042 395973175 /nfs/dbraw/zinc/97/31/75/395973175.db2.gz KVZZYTBJKGXGKQ-GFCCVEGCSA-N 1 2 306.366 0.546 10 0 DCAELO CCS(=O)(=O)NCC[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000150915267 395975644 /nfs/dbraw/zinc/97/56/44/395975644.db2.gz JPFLSXWHWCORHO-GFCCVEGCSA-N 1 2 323.422 0.857 10 0 DCAELO COc1ccnc(N2CC[NH+](CC(=O)N(C)CC3CC3)CC2)n1 ZINC000064248483 395985169 /nfs/dbraw/zinc/98/51/69/395985169.db2.gz DJRCHDOOPOBQQM-UHFFFAOYSA-N 1 2 319.409 0.476 10 0 DCAELO CCS(=O)(=O)CCCCCN1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000249073994 396001717 /nfs/dbraw/zinc/00/17/17/396001717.db2.gz LMAUSOPPAZKZBE-LSDHHAIUSA-N 1 2 320.499 0.978 10 0 DCAELO CCS(=O)(=O)CCCCCN1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000249073994 396001721 /nfs/dbraw/zinc/00/17/21/396001721.db2.gz LMAUSOPPAZKZBE-LSDHHAIUSA-N 1 2 320.499 0.978 10 0 DCAELO CCS(=O)(=O)CCCCC[N@@H+]1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000249073994 396001724 /nfs/dbraw/zinc/00/17/24/396001724.db2.gz LMAUSOPPAZKZBE-LSDHHAIUSA-N 1 2 320.499 0.978 10 0 DCAELO CCS(=O)(=O)CCCCC[N@H+]1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000249073994 396001726 /nfs/dbraw/zinc/00/17/26/396001726.db2.gz LMAUSOPPAZKZBE-LSDHHAIUSA-N 1 2 320.499 0.978 10 0 DCAELO CCOCC[N@@H+]1CCN(S(=O)(=O)N2CCC[C@H]2C)C[C@H]1C ZINC000248675740 395993728 /nfs/dbraw/zinc/99/37/28/395993728.db2.gz CVNSPMRGZZRTKT-ZIAGYGMSSA-N 1 2 319.471 0.758 10 0 DCAELO CCOCC[N@H+]1CCN(S(=O)(=O)N2CCC[C@H]2C)C[C@H]1C ZINC000248675740 395993730 /nfs/dbraw/zinc/99/37/30/395993730.db2.gz CVNSPMRGZZRTKT-ZIAGYGMSSA-N 1 2 319.471 0.758 10 0 DCAELO Cc1cc(=O)[nH]c([C@@H](C)[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)n1 ZINC000248790290 395997170 /nfs/dbraw/zinc/99/71/70/395997170.db2.gz XLLIXMNOSXNHQO-NXEZZACHSA-N 1 2 300.384 0.175 10 0 DCAELO Cc1cc(=O)[nH]c([C@@H](C)[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)n1 ZINC000248790290 395997171 /nfs/dbraw/zinc/99/71/71/395997171.db2.gz XLLIXMNOSXNHQO-NXEZZACHSA-N 1 2 300.384 0.175 10 0 DCAELO NC(=O)[C@@]1(O)CC[N@H+](Cc2csc(Br)c2)C1 ZINC000276444581 395997782 /nfs/dbraw/zinc/99/77/82/395997782.db2.gz LXXPMGUKHAZFSE-SNVBAGLBSA-N 1 2 305.197 0.933 10 0 DCAELO NC(=O)[C@@]1(O)CC[N@@H+](Cc2csc(Br)c2)C1 ZINC000276444581 395997786 /nfs/dbraw/zinc/99/77/86/395997786.db2.gz LXXPMGUKHAZFSE-SNVBAGLBSA-N 1 2 305.197 0.933 10 0 DCAELO COc1cccc(CC(=O)NC[C@H](O)C[NH+]2CCOCC2)c1 ZINC000154118881 396031376 /nfs/dbraw/zinc/03/13/76/396031376.db2.gz ANOMXPOUZQFDMD-AWEZNQCLSA-N 1 2 308.378 0.047 10 0 DCAELO COc1ccccc1CC(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000154139421 396032183 /nfs/dbraw/zinc/03/21/83/396032183.db2.gz XLCWQCVLPUEPFV-AWEZNQCLSA-N 1 2 308.378 0.047 10 0 DCAELO COc1ccccc1[C@@H]1C[NH2+]CCN1S(=O)(=O)c1c[nH]cn1 ZINC000261743347 396061585 /nfs/dbraw/zinc/06/15/85/396061585.db2.gz PKABDFCBYLPGFQ-LBPRGKRZSA-N 1 2 322.390 0.754 10 0 DCAELO C[C@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000249354845 396006362 /nfs/dbraw/zinc/00/63/62/396006362.db2.gz QVUVTYBVCYCGON-BBBLOLIVSA-N 1 2 300.305 0.719 10 0 DCAELO C[C@H](C(=O)Nc1c(F)cccc1F)[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000249354845 396006367 /nfs/dbraw/zinc/00/63/67/396006367.db2.gz QVUVTYBVCYCGON-BBBLOLIVSA-N 1 2 300.305 0.719 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(-c3ccco3)[nH]c2=O)C1 ZINC000171286969 396113030 /nfs/dbraw/zinc/11/30/30/396113030.db2.gz HXSXFMHXHVOCTN-NSHDSACASA-N 1 2 317.345 0.695 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(-c3ccco3)[nH]c2=O)C1 ZINC000171286969 396113033 /nfs/dbraw/zinc/11/30/33/396113033.db2.gz HXSXFMHXHVOCTN-NSHDSACASA-N 1 2 317.345 0.695 10 0 DCAELO CCOC[C@@H](O)CN1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000171611097 396120566 /nfs/dbraw/zinc/12/05/66/396120566.db2.gz DNYNAMWJOHNYEP-INIZCTEOSA-N 1 2 321.421 0.301 10 0 DCAELO CC(C)CCC(=O)NCC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172764702 396133152 /nfs/dbraw/zinc/13/31/52/396133152.db2.gz KGKNPHFWHKBQHN-AWEZNQCLSA-N 1 2 311.426 0.472 10 0 DCAELO CN(C)C(=O)COc1ccc(NC(=O)[C@@H]2COCC[NH2+]2)cc1 ZINC000262604424 396160390 /nfs/dbraw/zinc/16/03/90/396160390.db2.gz FJGHPUZKEUHSDJ-ZDUSSCGKSA-N 1 2 307.350 0.081 10 0 DCAELO CCCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000262728974 396176628 /nfs/dbraw/zinc/17/66/28/396176628.db2.gz BGPXWEUFQVKBDE-QWRGUYRKSA-N 1 2 303.353 0.748 10 0 DCAELO O=C(NCCNC(=O)[C@H]1CC(F)(F)C[NH2+]1)c1ccccc1F ZINC000262733996 396177192 /nfs/dbraw/zinc/17/71/92/396177192.db2.gz BXDHGNQJTATIHJ-LLVKDONJSA-N 1 2 315.295 0.669 10 0 DCAELO COC(=O)C[C@H]1CSCCN1C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000262809156 396183865 /nfs/dbraw/zinc/18/38/65/396183865.db2.gz SYQVWFJVJABVSU-VIFPVBQESA-N 1 2 324.406 0.176 10 0 DCAELO CCCNC(=O)C1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263082936 396200436 /nfs/dbraw/zinc/20/04/36/396200436.db2.gz XSFXUGUVZBCJJV-NSHDSACASA-N 1 2 303.353 0.748 10 0 DCAELO COC(=O)[C@@H](C)CS(=O)(=O)NCc1[nH+]ccn1CC(C)C ZINC000182415859 396250721 /nfs/dbraw/zinc/25/07/21/396250721.db2.gz RRRODJGIFWLAJT-NSHDSACASA-N 1 2 317.411 0.768 10 0 DCAELO C[C@@H]1CN(C(=O)NCc2cn3c([nH+]2)CCCC3)CC(=O)N1C ZINC000282083894 396261899 /nfs/dbraw/zinc/26/18/99/396261899.db2.gz IAHYGFWYHZWIGZ-LLVKDONJSA-N 1 2 305.382 0.592 10 0 DCAELO Cn1ncc2c1CCC[C@H]2NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000264299964 396268909 /nfs/dbraw/zinc/26/89/09/396268909.db2.gz IYXHJSMIGYUMOO-DGCLKSJQSA-N 1 2 307.398 0.427 10 0 DCAELO Cn1ncc2c1CCC[C@H]2NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000264299964 396268913 /nfs/dbraw/zinc/26/89/13/396268913.db2.gz IYXHJSMIGYUMOO-DGCLKSJQSA-N 1 2 307.398 0.427 10 0 DCAELO Cn1cc(-c2cc(C[N@H+](C)[C@@H]3CCS(=O)(=O)C3)on2)cn1 ZINC000184975961 396312351 /nfs/dbraw/zinc/31/23/51/396312351.db2.gz CSZPEUXYDPDEBB-LLVKDONJSA-N 1 2 310.379 0.694 10 0 DCAELO Cn1cc(-c2cc(C[N@@H+](C)[C@@H]3CCS(=O)(=O)C3)on2)cn1 ZINC000184975961 396312354 /nfs/dbraw/zinc/31/23/54/396312354.db2.gz CSZPEUXYDPDEBB-LLVKDONJSA-N 1 2 310.379 0.694 10 0 DCAELO C[C@H]([NH2+]CC(=O)NC(N)=O)c1nc(-c2cccc(F)c2)no1 ZINC000185086046 396316865 /nfs/dbraw/zinc/31/68/65/396316865.db2.gz STFBDQIFNOMHPB-ZETCQYMHSA-N 1 2 307.285 0.721 10 0 DCAELO COCC(=O)NC1C[NH+](C[C@@H](O)COc2ccc(C)cc2C)C1 ZINC000185091270 396317857 /nfs/dbraw/zinc/31/78/57/396317857.db2.gz VAKIYBDRBRVCKZ-OAHLLOKOSA-N 1 2 322.405 0.490 10 0 DCAELO C[C@@H](C(=O)N1CC(CO)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000184227685 396288617 /nfs/dbraw/zinc/28/86/17/396288617.db2.gz OYNLPTFWIOINQF-ZDUSSCGKSA-N 1 2 321.396 0.787 10 0 DCAELO Cc1cc(F)ccc1[C@H]1C(=O)NCC[N@H+]1CCC(=O)NC(N)=O ZINC000184740636 396305136 /nfs/dbraw/zinc/30/51/36/396305136.db2.gz OBMMJOSCGMAVKY-ZDUSSCGKSA-N 1 2 322.340 0.192 10 0 DCAELO Cc1cc(F)ccc1[C@H]1C(=O)NCC[N@@H+]1CCC(=O)NC(N)=O ZINC000184740636 396305138 /nfs/dbraw/zinc/30/51/38/396305138.db2.gz OBMMJOSCGMAVKY-ZDUSSCGKSA-N 1 2 322.340 0.192 10 0 DCAELO CNC(=O)NC(=O)C[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000185452602 396328005 /nfs/dbraw/zinc/32/80/05/396328005.db2.gz QSVWLUHMUUOVJM-SNVBAGLBSA-N 1 2 302.338 0.374 10 0 DCAELO Cn1cc(N2CCC[C@H]([N@@H+]3CCO[C@]4(CCOC4)C3)C2=O)cn1 ZINC000185205127 396321664 /nfs/dbraw/zinc/32/16/64/396321664.db2.gz AMPVYVSVUPLMOP-GOEBONIOSA-N 1 2 320.393 0.407 10 0 DCAELO Cn1cc(N2CCC[C@H]([N@H+]3CCO[C@]4(CCOC4)C3)C2=O)cn1 ZINC000185205127 396321665 /nfs/dbraw/zinc/32/16/65/396321665.db2.gz AMPVYVSVUPLMOP-GOEBONIOSA-N 1 2 320.393 0.407 10 0 DCAELO CCC[N@@H+](CC(=O)OC(C)(C)C)C[C@@H](O)CN1CCOCC1 ZINC000186310616 396347416 /nfs/dbraw/zinc/34/74/16/396347416.db2.gz PUXFKLHFJGRTAG-AWEZNQCLSA-N 1 2 316.442 0.733 10 0 DCAELO CCC[N@H+](CC(=O)OC(C)(C)C)C[C@@H](O)CN1CCOCC1 ZINC000186310616 396347418 /nfs/dbraw/zinc/34/74/18/396347418.db2.gz PUXFKLHFJGRTAG-AWEZNQCLSA-N 1 2 316.442 0.733 10 0 DCAELO CCCN(CC(=O)OC(C)(C)C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000186310616 396347419 /nfs/dbraw/zinc/34/74/19/396347419.db2.gz PUXFKLHFJGRTAG-AWEZNQCLSA-N 1 2 316.442 0.733 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC(Cn3cncn3)CC2)C1 ZINC000186566359 396352874 /nfs/dbraw/zinc/35/28/74/396352874.db2.gz OUIRQIJBQCHZAB-AWEZNQCLSA-N 1 2 322.413 0.030 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)N2CCC(Cn3cncn3)CC2)C1 ZINC000186566359 396352877 /nfs/dbraw/zinc/35/28/77/396352877.db2.gz OUIRQIJBQCHZAB-AWEZNQCLSA-N 1 2 322.413 0.030 10 0 DCAELO C[C@H]1CN(C(=O)CSCc2cscn2)CC[N@@H+]1CCO ZINC000188743292 396384841 /nfs/dbraw/zinc/38/48/41/396384841.db2.gz NZAVODCVZLTALH-NSHDSACASA-N 1 2 315.464 0.901 10 0 DCAELO C[C@H]1CN(C(=O)CSCc2cscn2)CC[N@H+]1CCO ZINC000188743292 396384842 /nfs/dbraw/zinc/38/48/42/396384842.db2.gz NZAVODCVZLTALH-NSHDSACASA-N 1 2 315.464 0.901 10 0 DCAELO CCc1nnc(C2CC[NH+](CC(=O)NC[C@H]3CCCO3)CC2)[nH]1 ZINC000190670305 396409782 /nfs/dbraw/zinc/40/97/82/396409782.db2.gz OZCKLZOWCFQTCM-CYBMUJFWSA-N 1 2 321.425 0.842 10 0 DCAELO CCc1n[nH]c(C2CC[NH+](CC(=O)NC[C@H]3CCCO3)CC2)n1 ZINC000190670305 396409786 /nfs/dbraw/zinc/40/97/86/396409786.db2.gz OZCKLZOWCFQTCM-CYBMUJFWSA-N 1 2 321.425 0.842 10 0 DCAELO CCc1nc(C2CC[NH+](CC(=O)NC[C@H]3CCCO3)CC2)n[nH]1 ZINC000190670305 396409790 /nfs/dbraw/zinc/40/97/90/396409790.db2.gz OZCKLZOWCFQTCM-CYBMUJFWSA-N 1 2 321.425 0.842 10 0 DCAELO O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@@H]1CCCc2c(O)cccc21 ZINC000190800019 396411839 /nfs/dbraw/zinc/41/18/39/396411839.db2.gz VZWOAYPPFFDCMB-XJKSGUPXSA-N 1 2 315.417 0.928 10 0 DCAELO CN1CCC[N@H+](CC(=O)NCCOc2ccccc2)CC1=O ZINC000191159668 396416640 /nfs/dbraw/zinc/41/66/40/396416640.db2.gz BFHNJAJQEWVDES-UHFFFAOYSA-N 1 2 305.378 0.346 10 0 DCAELO CN1CCC[N@@H+](CC(=O)NCCOc2ccccc2)CC1=O ZINC000191159668 396416642 /nfs/dbraw/zinc/41/66/42/396416642.db2.gz BFHNJAJQEWVDES-UHFFFAOYSA-N 1 2 305.378 0.346 10 0 DCAELO Cc1cc(C)nc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCOCC2)c1 ZINC000192919757 396440513 /nfs/dbraw/zinc/44/05/13/396440513.db2.gz PRSAXEOFHKALQQ-CYBMUJFWSA-N 1 2 320.393 0.474 10 0 DCAELO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N1CCO[C@@H](CO)C1 ZINC000270113527 396461570 /nfs/dbraw/zinc/46/15/70/396461570.db2.gz ZZWCLQWMVARCNP-QWHCGFSZSA-N 1 2 306.366 0.063 10 0 DCAELO C[C@]1(CNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)CCCS1 ZINC000580114819 396488963 /nfs/dbraw/zinc/48/89/63/396488963.db2.gz JLQJEDVZMJTDDC-OAHLLOKOSA-N 1 2 311.451 0.695 10 0 DCAELO CC(C)N1CC[N@H+](C[C@H](O)COC[C@@H]2CCCO2)CC1=O ZINC000561530793 396643498 /nfs/dbraw/zinc/64/34/98/396643498.db2.gz QOVLWKJHIRGSFG-KBPBESRZSA-N 1 2 300.399 0.096 10 0 DCAELO CC(C)N1CC[N@@H+](C[C@H](O)COC[C@@H]2CCCO2)CC1=O ZINC000561530793 396643500 /nfs/dbraw/zinc/64/35/00/396643500.db2.gz QOVLWKJHIRGSFG-KBPBESRZSA-N 1 2 300.399 0.096 10 0 DCAELO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](O)C[C@@H]2c2cccc(F)c2)C1 ZINC000374218476 396647948 /nfs/dbraw/zinc/64/79/48/396647948.db2.gz SEJVFQCVOZREIH-ZNMIVQPWSA-N 1 2 308.353 0.791 10 0 DCAELO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](O)C[C@@H]2c2cccc(F)c2)C1 ZINC000374218476 396647951 /nfs/dbraw/zinc/64/79/51/396647951.db2.gz SEJVFQCVOZREIH-ZNMIVQPWSA-N 1 2 308.353 0.791 10 0 DCAELO COc1ccccc1[C@@H]1CN(C(=O)C2CN(C(C)=O)C2)CC[NH2+]1 ZINC000374329911 396656295 /nfs/dbraw/zinc/65/62/95/396656295.db2.gz WCMBVFOKQOKMFT-HNNXBMFYSA-N 1 2 317.389 0.646 10 0 DCAELO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](CC)O[C@]2(CCOC2)C1 ZINC000373807811 396615204 /nfs/dbraw/zinc/61/52/04/396615204.db2.gz WNXPNVDACYUETB-YWPYICTPSA-N 1 2 313.398 0.491 10 0 DCAELO CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](CC)O[C@]2(CCOC2)C1 ZINC000373807811 396615206 /nfs/dbraw/zinc/61/52/06/396615206.db2.gz WNXPNVDACYUETB-YWPYICTPSA-N 1 2 313.398 0.491 10 0 DCAELO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](CC)O[C@@]2(CCOC2)C1 ZINC000373807812 396615261 /nfs/dbraw/zinc/61/52/61/396615261.db2.gz WNXPNVDACYUETB-ZOWXZIJZSA-N 1 2 313.398 0.491 10 0 DCAELO CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](CC)O[C@@]2(CCOC2)C1 ZINC000373807812 396615264 /nfs/dbraw/zinc/61/52/64/396615264.db2.gz WNXPNVDACYUETB-ZOWXZIJZSA-N 1 2 313.398 0.491 10 0 DCAELO COC[C@@H]1CN(c2cc(N3CCC[C@@H]3CO)nc[nH+]2)C[C@H](C)O1 ZINC000302546570 396720535 /nfs/dbraw/zinc/72/05/35/396720535.db2.gz IZDVOGFYRILCQA-MJBXVCDLSA-N 1 2 322.409 0.678 10 0 DCAELO COC[C@@H]1CN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)C[C@H](C)O1 ZINC000302546570 396720538 /nfs/dbraw/zinc/72/05/38/396720538.db2.gz IZDVOGFYRILCQA-MJBXVCDLSA-N 1 2 322.409 0.678 10 0 DCAELO CN1CCN(C(=O)[C@@H](O)c2ccccc2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000328639236 396828194 /nfs/dbraw/zinc/82/81/94/396828194.db2.gz WTSCRVMRJMIRHX-KGLIPLIRSA-N 1 2 300.362 0.958 10 0 DCAELO C[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC000328644085 396828942 /nfs/dbraw/zinc/82/89/42/396828942.db2.gz RQKWOMTUODWBCJ-IHRRRGAJSA-N 1 2 304.394 0.934 10 0 DCAELO C[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000328644085 396828949 /nfs/dbraw/zinc/82/89/49/396828949.db2.gz RQKWOMTUODWBCJ-IHRRRGAJSA-N 1 2 304.394 0.934 10 0 DCAELO C/C=C/C[C@@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)C(=O)OCC ZINC000617856375 396842793 /nfs/dbraw/zinc/84/27/93/396842793.db2.gz BKAOCKRKKPVHBH-DIECRNLCSA-N 1 2 318.439 0.898 10 0 DCAELO COc1ncc(C[N@@H+]2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)c(C)n1 ZINC000377587786 397108315 /nfs/dbraw/zinc/10/83/15/397108315.db2.gz ZLNXSOUZOZCCAT-SNVBAGLBSA-N 1 2 304.354 0.997 10 0 DCAELO COc1ncc(C[N@H+]2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)c(C)n1 ZINC000377587786 397108320 /nfs/dbraw/zinc/10/83/20/397108320.db2.gz ZLNXSOUZOZCCAT-SNVBAGLBSA-N 1 2 304.354 0.997 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCNC(=O)[C@@H]1C)C2 ZINC000364550603 397219730 /nfs/dbraw/zinc/21/97/30/397219730.db2.gz HSOFHDGEWYBBJY-QWRGUYRKSA-N 1 2 304.394 0.985 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCNC(=O)[C@@H]1C)CC2 ZINC000364550603 397219735 /nfs/dbraw/zinc/21/97/35/397219735.db2.gz HSOFHDGEWYBBJY-QWRGUYRKSA-N 1 2 304.394 0.985 10 0 DCAELO CO[C@@H]1C[N@H+](Cc2nnc3n2CCCCC3)C[C@H]1c1c[nH]nn1 ZINC000621317372 397373873 /nfs/dbraw/zinc/37/38/73/397373873.db2.gz YVEMEUZDUKQRQX-WCQYABFASA-N 1 2 317.397 0.737 10 0 DCAELO CO[C@@H]1C[N@@H+](Cc2nnc3n2CCCCC3)C[C@H]1c1c[nH]nn1 ZINC000621317372 397373875 /nfs/dbraw/zinc/37/38/75/397373875.db2.gz YVEMEUZDUKQRQX-WCQYABFASA-N 1 2 317.397 0.737 10 0 DCAELO CCS(=O)(=O)NCC[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000369557356 397442694 /nfs/dbraw/zinc/44/26/94/397442694.db2.gz VANQHDSJVUZESD-CYBMUJFWSA-N 1 2 306.428 0.196 10 0 DCAELO CCS(=O)(=O)NCC[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000369557356 397442701 /nfs/dbraw/zinc/44/27/01/397442701.db2.gz VANQHDSJVUZESD-CYBMUJFWSA-N 1 2 306.428 0.196 10 0 DCAELO O=C(c1nnc2ccccc2n1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000366698404 397391857 /nfs/dbraw/zinc/39/18/57/397391857.db2.gz IUWFAZBSYROQSY-LBPRGKRZSA-N 1 2 313.361 0.572 10 0 DCAELO COCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1nnc2n1CCCC2 ZINC000173626840 292360031 /nfs/dbraw/zinc/36/00/31/292360031.db2.gz VXVIOLQZFXRRNB-VXGBXAGGSA-N 1 2 309.414 0.806 10 0 DCAELO COCCCS(=O)(=O)NCC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000175102224 292373095 /nfs/dbraw/zinc/37/30/95/292373095.db2.gz UEWSLZMAROLWKA-UONOGXRCSA-N 1 2 320.455 0.586 10 0 DCAELO COCCCS(=O)(=O)NCC[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000175102224 292373096 /nfs/dbraw/zinc/37/30/96/292373096.db2.gz UEWSLZMAROLWKA-UONOGXRCSA-N 1 2 320.455 0.586 10 0 DCAELO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CCNC(=O)CC1 ZINC000054258129 158019643 /nfs/dbraw/zinc/01/96/43/158019643.db2.gz HUTLQVWTDAZWRN-NEPJUHHUSA-N 1 2 310.398 0.213 10 0 DCAELO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CCNC(=O)CC1 ZINC000054258129 158019644 /nfs/dbraw/zinc/01/96/44/158019644.db2.gz HUTLQVWTDAZWRN-NEPJUHHUSA-N 1 2 310.398 0.213 10 0 DCAELO Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CCNC(=O)CC2)cc1C ZINC000054259151 158019757 /nfs/dbraw/zinc/01/97/57/158019757.db2.gz KXWHSDOLOMXETL-UHFFFAOYSA-N 1 2 318.377 0.773 10 0 DCAELO Cc1ccc(NC(=O)NC(=O)C[N@H+]2CCNC(=O)CC2)cc1C ZINC000054259151 158019760 /nfs/dbraw/zinc/01/97/60/158019760.db2.gz KXWHSDOLOMXETL-UHFFFAOYSA-N 1 2 318.377 0.773 10 0 DCAELO Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CCNC(=O)CC2)c1C ZINC000054259149 158020468 /nfs/dbraw/zinc/02/04/68/158020468.db2.gz GXZCAHUVJVMOGQ-UHFFFAOYSA-N 1 2 318.377 0.773 10 0 DCAELO Cc1cccc(NC(=O)NC(=O)C[N@H+]2CCNC(=O)CC2)c1C ZINC000054259149 158020473 /nfs/dbraw/zinc/02/04/73/158020473.db2.gz GXZCAHUVJVMOGQ-UHFFFAOYSA-N 1 2 318.377 0.773 10 0 DCAELO CCCC(=O)NCC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000054710395 158021946 /nfs/dbraw/zinc/02/19/46/158021946.db2.gz XZITUBSQDIFBSL-UHFFFAOYSA-N 1 2 301.350 0.800 10 0 DCAELO CCS(=O)(=O)C[C@H](C)NC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000072684348 158052041 /nfs/dbraw/zinc/05/20/41/158052041.db2.gz FAPWHCXYMIVNSY-LBPRGKRZSA-N 1 2 317.455 0.689 10 0 DCAELO CCS(=O)(=O)C[C@H](C)NC(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000072684348 158052043 /nfs/dbraw/zinc/05/20/43/158052043.db2.gz FAPWHCXYMIVNSY-LBPRGKRZSA-N 1 2 317.455 0.689 10 0 DCAELO O=C(NCC[NH+]1CCOCC1)[C@@H]1CCCN1c1nccs1 ZINC000075484922 158062340 /nfs/dbraw/zinc/06/23/40/158062340.db2.gz JRPOOMBMFALKFL-LBPRGKRZSA-N 1 2 310.423 0.560 10 0 DCAELO C[C@H](CNC(=O)[C@H]1CCCN1c1nccs1)[NH+]1CCOCC1 ZINC000075573904 158062386 /nfs/dbraw/zinc/06/23/86/158062386.db2.gz ZSUUNXHUGAVRFU-CHWSQXEVSA-N 1 2 324.450 0.949 10 0 DCAELO O=C(CCNC(=O)c1ccco1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000114854355 158157675 /nfs/dbraw/zinc/15/76/75/158157675.db2.gz OSNPUDORYJNOPE-CYBMUJFWSA-N 1 2 321.377 0.379 10 0 DCAELO O=C(CCNC(=O)c1ccco1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000114854355 158157676 /nfs/dbraw/zinc/15/76/76/158157676.db2.gz OSNPUDORYJNOPE-CYBMUJFWSA-N 1 2 321.377 0.379 10 0 DCAELO CC(C)NC(=O)CCCC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000114856853 158158132 /nfs/dbraw/zinc/15/81/32/158158132.db2.gz VJTPEQOGLYBVBB-CQSZACIVSA-N 1 2 311.426 0.661 10 0 DCAELO CC(C)NC(=O)CCCC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000114856853 158158133 /nfs/dbraw/zinc/15/81/33/158158133.db2.gz VJTPEQOGLYBVBB-CQSZACIVSA-N 1 2 311.426 0.661 10 0 DCAELO CN(C)c1[nH+]cccc1CNC(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000123060800 158226045 /nfs/dbraw/zinc/22/60/45/158226045.db2.gz VVZYWDZGLTWWBB-LBPRGKRZSA-N 1 2 305.382 0.568 10 0 DCAELO Cc1noc(C)c1S(=O)(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000123616253 158231344 /nfs/dbraw/zinc/23/13/44/158231344.db2.gz VYQMNSCIKOVCTH-GFCCVEGCSA-N 1 2 315.395 0.433 10 0 DCAELO Cc1noc(C)c1S(=O)(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000123616253 158231347 /nfs/dbraw/zinc/23/13/47/158231347.db2.gz VYQMNSCIKOVCTH-GFCCVEGCSA-N 1 2 315.395 0.433 10 0 DCAELO C[C@H]1CN(c2ccc(CNC(=O)N(C)CCO)c[nH+]2)C[C@H](C)O1 ZINC000129575154 158290033 /nfs/dbraw/zinc/29/00/33/158290033.db2.gz WQZSSDAUKGYPBP-STQMWFEESA-N 1 2 322.409 0.829 10 0 DCAELO CCC(=O)N1CC[C@@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000135143731 158333992 /nfs/dbraw/zinc/33/39/92/158333992.db2.gz SONCQCKNMCMIQG-ZIAGYGMSSA-N 1 2 324.425 0.113 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)C(=O)c2ccc3c(c2)CCC3)C1 ZINC000171287036 158382484 /nfs/dbraw/zinc/38/24/84/158382484.db2.gz OIFZQDLWDBEJRO-OAHLLOKOSA-N 1 2 302.374 0.805 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)C(=O)c2ccc3c(c2)CCC3)C1 ZINC000171287036 158382485 /nfs/dbraw/zinc/38/24/85/158382485.db2.gz OIFZQDLWDBEJRO-OAHLLOKOSA-N 1 2 302.374 0.805 10 0 DCAELO Nc1cc(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cc(Cl)n1 ZINC000172360951 158393755 /nfs/dbraw/zinc/39/37/55/158393755.db2.gz BXGXUBQDUOSQMY-NSHDSACASA-N 1 2 310.785 0.910 10 0 DCAELO Nc1cc(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cc(Cl)n1 ZINC000172360951 158393757 /nfs/dbraw/zinc/39/37/57/158393757.db2.gz BXGXUBQDUOSQMY-NSHDSACASA-N 1 2 310.785 0.910 10 0 DCAELO O=S(=O)(C[C@@H]1CCCCO1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000172389426 158394162 /nfs/dbraw/zinc/39/41/62/158394162.db2.gz IDGRPYOQKMUQSU-UONOGXRCSA-N 1 2 318.439 0.338 10 0 DCAELO O=S(=O)(C[C@@H]1CCCCO1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000172389426 158394163 /nfs/dbraw/zinc/39/41/63/158394163.db2.gz IDGRPYOQKMUQSU-UONOGXRCSA-N 1 2 318.439 0.338 10 0 DCAELO CC(C)NC(=O)CCCC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172752443 158398802 /nfs/dbraw/zinc/39/88/02/158398802.db2.gz DLSJCBLAEOTGBM-AWEZNQCLSA-N 1 2 311.426 0.614 10 0 DCAELO CNC(=O)CC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000185929939 158526135 /nfs/dbraw/zinc/52/61/35/158526135.db2.gz YCDVLXKCZPHDAG-HNNXBMFYSA-N 1 2 319.405 0.182 10 0 DCAELO CC(C)c1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000250427273 158711104 /nfs/dbraw/zinc/71/11/04/158711104.db2.gz GKHQWPSMKZHZLF-XJKSGUPXSA-N 1 2 322.405 0.736 10 0 DCAELO CC(C)c1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000250427273 158711106 /nfs/dbraw/zinc/71/11/06/158711106.db2.gz GKHQWPSMKZHZLF-XJKSGUPXSA-N 1 2 322.405 0.736 10 0 DCAELO CN(CC(=O)NCc1cccs1)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263258735 158865610 /nfs/dbraw/zinc/86/56/10/158865610.db2.gz QQZXMVOGICUNEI-SNVBAGLBSA-N 1 2 317.361 0.820 10 0 DCAELO Cc1noc([C@H](C)N2CC[NH+]([C@@H]3CCN(C4CC4)C3=O)CC2)n1 ZINC000328669556 159019471 /nfs/dbraw/zinc/01/94/71/159019471.db2.gz MBUUGFJJMLDBMN-SMDDNHRTSA-N 1 2 319.409 0.820 10 0 DCAELO Cc1cc(C)n(C[C@H]2C[N@@H+]([C@@H]3CCN(C4CC4)C3=O)CCO2)n1 ZINC000328673299 159019765 /nfs/dbraw/zinc/01/97/65/159019765.db2.gz OZWGHDIQWQALNF-HZPDHXFCSA-N 1 2 318.421 0.964 10 0 DCAELO Cc1cc(C)n(C[C@H]2C[N@H+]([C@@H]3CCN(C4CC4)C3=O)CCO2)n1 ZINC000328673299 159019768 /nfs/dbraw/zinc/01/97/68/159019768.db2.gz OZWGHDIQWQALNF-HZPDHXFCSA-N 1 2 318.421 0.964 10 0 DCAELO CCn1cncc1S(=O)(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000328787314 159029584 /nfs/dbraw/zinc/02/95/84/159029584.db2.gz OXEPHMFRFYNULV-LLVKDONJSA-N 1 2 309.395 0.815 10 0 DCAELO Cc1nc(C[C@@H]2CCCN(C(=O)[C@@H](C)[NH+]3CCOCC3)C2)no1 ZINC000328958148 159046631 /nfs/dbraw/zinc/04/66/31/159046631.db2.gz OJQLNORTTJRQIU-OCCSQVGLSA-N 1 2 322.409 0.880 10 0 DCAELO CC(C)n1nnnc1C[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C ZINC000329130772 159065435 /nfs/dbraw/zinc/06/54/35/159065435.db2.gz OOUBJYHGCMVXTC-QMTHXVAHSA-N 1 2 318.385 0.049 10 0 DCAELO CCc1nnc([C@H](C)[NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)o1 ZINC000329138486 159066425 /nfs/dbraw/zinc/06/64/25/159066425.db2.gz RXOCBDPCKMDIHE-IMSIIYSGSA-N 1 2 318.381 0.988 10 0 DCAELO C[C@H](CNC(=O)c1ccc2nccnc2n1)[NH+]1CCOCC1 ZINC000329267763 159077212 /nfs/dbraw/zinc/07/72/12/159077212.db2.gz GKUNCAXABAWBAD-LLVKDONJSA-N 1 2 301.350 0.475 10 0 DCAELO CO[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C[C@H]1OC ZINC000329473645 159096317 /nfs/dbraw/zinc/09/63/17/159096317.db2.gz APNUQRPQXYHZHQ-RRFJBIMHSA-N 1 2 312.410 0.502 10 0 DCAELO CO[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C[C@H]1OC ZINC000329473645 159096318 /nfs/dbraw/zinc/09/63/18/159096318.db2.gz APNUQRPQXYHZHQ-RRFJBIMHSA-N 1 2 312.410 0.502 10 0 DCAELO O=S(=O)(N1CC[C@H](Oc2cc[nH+]cc2)C1)N1CCOCC1 ZINC000329889467 159126864 /nfs/dbraw/zinc/12/68/64/159126864.db2.gz DPECBHHZVVRVPV-ZDUSSCGKSA-N 1 2 313.379 0.112 10 0 DCAELO NC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CCO[C@@]3(CCOC3)C2)C1 ZINC000329905870 159127274 /nfs/dbraw/zinc/12/72/74/159127274.db2.gz RSUGKRZUDWYAFV-DOMZBBRYSA-N 1 2 311.382 0.252 10 0 DCAELO NC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CCO[C@@]3(CCOC3)C2)C1 ZINC000329905870 159127278 /nfs/dbraw/zinc/12/72/78/159127278.db2.gz RSUGKRZUDWYAFV-DOMZBBRYSA-N 1 2 311.382 0.252 10 0 DCAELO CC[C@@H]1CN(C(=O)[C@]2(OC)CCOC2)C[C@H]1[NH+]1CCOCC1 ZINC000329943983 159130000 /nfs/dbraw/zinc/13/00/00/159130000.db2.gz WNPACCLBUCXBBY-FMKPAKJESA-N 1 2 312.410 0.361 10 0 DCAELO C[C@@H]1CN(C(=O)c2cnn3ccncc23)C[C@H]1[NH+]1CCOCC1 ZINC000330092104 159141049 /nfs/dbraw/zinc/14/10/49/159141049.db2.gz QMZRORHYWXINRG-IUODEOHRSA-N 1 2 315.377 0.522 10 0 DCAELO CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCO[C@H](C3CC3)C2)CC1 ZINC000330129713 159144184 /nfs/dbraw/zinc/14/41/84/159144184.db2.gz KDVMUPCVBLRMEV-DOMZBBRYSA-N 1 2 309.410 0.176 10 0 DCAELO CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCO[C@H](C3CC3)C2)CC1 ZINC000330129713 159144185 /nfs/dbraw/zinc/14/41/85/159144185.db2.gz KDVMUPCVBLRMEV-DOMZBBRYSA-N 1 2 309.410 0.176 10 0 DCAELO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CC(=O)N(C)[C@@H](C)C1)CCC2 ZINC000332735870 159211426 /nfs/dbraw/zinc/21/14/26/159211426.db2.gz WEVRBFZKEHTHJD-QWHCGFSZSA-N 1 2 319.409 0.941 10 0 DCAELO CC(=O)N1CCC[C@H]1C(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000367083944 159310914 /nfs/dbraw/zinc/31/09/14/159310914.db2.gz JZVXBEWDZHFGMI-CABCVRRESA-N 1 2 302.378 0.565 10 0 DCAELO CC(=O)N1CSC[C@@H]1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000407994048 160005967 /nfs/dbraw/zinc/00/59/67/160005967.db2.gz YVPKSZBTXZUHIW-GFCCVEGCSA-N 1 2 308.407 0.757 10 0 DCAELO C[C@H](C(=O)N1CCC(C(=O)N2CCCC2)CC1)[NH+]1CCOCC1 ZINC000408003464 160008104 /nfs/dbraw/zinc/00/81/04/160008104.db2.gz XMQWZIQOKCTTJK-CQSZACIVSA-N 1 2 323.437 0.568 10 0 DCAELO O=C(c1nccn2ccnc12)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000408015341 160010952 /nfs/dbraw/zinc/01/09/52/160010952.db2.gz BGYJLECJWLZMJF-LBPRGKRZSA-N 1 2 301.350 0.276 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)NCC(=O)NC(C)(C)C)C[C@H]21 ZINC000408016049 160011743 /nfs/dbraw/zinc/01/17/43/160011743.db2.gz HIHBBNGYAIKJIO-NEPJUHHUSA-N 1 2 312.414 0.016 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)NCC(=O)NC(C)(C)C)C[C@H]21 ZINC000408016049 160011745 /nfs/dbraw/zinc/01/17/45/160011745.db2.gz HIHBBNGYAIKJIO-NEPJUHHUSA-N 1 2 312.414 0.016 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)NCC(=O)NC(C)(C)C)C[C@@H]21 ZINC000408016051 160012350 /nfs/dbraw/zinc/01/23/50/160012350.db2.gz HIHBBNGYAIKJIO-RYUDHWBXSA-N 1 2 312.414 0.016 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)NCC(=O)NC(C)(C)C)C[C@@H]21 ZINC000408016051 160012353 /nfs/dbraw/zinc/01/23/53/160012353.db2.gz HIHBBNGYAIKJIO-RYUDHWBXSA-N 1 2 312.414 0.016 10 0 DCAELO COC(=O)[C@]1(C)CCN(C(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000408079848 160031164 /nfs/dbraw/zinc/03/11/64/160031164.db2.gz KVIUKJNMYUMTFP-OAHLLOKOSA-N 1 2 310.394 0.653 10 0 DCAELO CNC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000408256104 160070572 /nfs/dbraw/zinc/07/05/72/160070572.db2.gz KGRSMRLQOZEQNE-RKDXNWHRSA-N 1 2 308.304 0.153 10 0 DCAELO CNC(=O)N[C@@H]1CC[N@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000408256104 160070573 /nfs/dbraw/zinc/07/05/73/160070573.db2.gz KGRSMRLQOZEQNE-RKDXNWHRSA-N 1 2 308.304 0.153 10 0 DCAELO CC(=O)N[C@@H](C)C1CCN(C(=O)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000408313956 160083060 /nfs/dbraw/zinc/08/30/60/160083060.db2.gz ORPAPESHGQULLQ-QWHCGFSZSA-N 1 2 311.426 0.470 10 0 DCAELO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)CC(F)(F)F)C[C@@H]1C ZINC000408318479 160083891 /nfs/dbraw/zinc/08/38/91/160083891.db2.gz ZMHIEUUTYPWWHZ-DTWKUNHWSA-N 1 2 304.334 0.265 10 0 DCAELO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)CC(F)(F)F)C[C@@H]1C ZINC000408318479 160083892 /nfs/dbraw/zinc/08/38/92/160083892.db2.gz ZMHIEUUTYPWWHZ-DTWKUNHWSA-N 1 2 304.334 0.265 10 0 DCAELO Cc1nnc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2NS(C)(=O)=O)o1 ZINC000408381786 160096223 /nfs/dbraw/zinc/09/62/23/160096223.db2.gz ODHPRKMIYZNJLE-LSJOCFKGSA-N 1 2 302.400 0.889 10 0 DCAELO CC(C)(C)[C@@H]1C[N@H+](CC(=O)N2CCC[C@H](C(N)=O)C2)CCO1 ZINC000408453369 160111696 /nfs/dbraw/zinc/11/16/96/160111696.db2.gz UCIIAZAPMMEKPD-STQMWFEESA-N 1 2 311.426 0.457 10 0 DCAELO CC(C)(C)[C@@H]1C[N@@H+](CC(=O)N2CCC[C@H](C(N)=O)C2)CCO1 ZINC000408453369 160111697 /nfs/dbraw/zinc/11/16/97/160111697.db2.gz UCIIAZAPMMEKPD-STQMWFEESA-N 1 2 311.426 0.457 10 0 DCAELO CCn1cc[nH+]c1Cn1nnnc1CNC(=O)OC(C)(C)C ZINC000125072699 286965235 /nfs/dbraw/zinc/96/52/35/286965235.db2.gz HSECDPPJFVAVLD-UHFFFAOYSA-N 1 2 307.358 0.963 10 0 DCAELO C[C@H](C(=O)N[C@@H](C)C(=O)N1CCCCC1)[NH+]1CCSCC1 ZINC000131977369 287002951 /nfs/dbraw/zinc/00/29/51/287002951.db2.gz VYQLGCUYXPRBQH-QWHCGFSZSA-N 1 2 313.467 0.941 10 0 DCAELO CCC[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000152510930 287041975 /nfs/dbraw/zinc/04/19/75/287041975.db2.gz QBWDNAIJDIDTLQ-QWHCGFSZSA-N 1 2 317.455 0.259 10 0 DCAELO CCC[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000152510930 287041980 /nfs/dbraw/zinc/04/19/80/287041980.db2.gz QBWDNAIJDIDTLQ-QWHCGFSZSA-N 1 2 317.455 0.259 10 0 DCAELO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)N2CCC[C@@H](C)C2)CC1 ZINC000245904837 287074181 /nfs/dbraw/zinc/07/41/81/287074181.db2.gz SWWZCOOIEQVFIF-KGLIPLIRSA-N 1 2 319.471 0.352 10 0 DCAELO CC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(CC(F)(F)F)C2=O)C1 ZINC000248831378 287102066 /nfs/dbraw/zinc/10/20/66/287102066.db2.gz HMWVLNAIFCKXOW-ZJUUUORDSA-N 1 2 321.299 0.277 10 0 DCAELO CC(=O)N[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(CC(F)(F)F)C2=O)C1 ZINC000248831378 287102068 /nfs/dbraw/zinc/10/20/68/287102068.db2.gz HMWVLNAIFCKXOW-ZJUUUORDSA-N 1 2 321.299 0.277 10 0 DCAELO Cc1nc2n(n1)C[C@@H](NC(=O)c1cc(-n3cc[nH+]c3)ccn1)CC2 ZINC000272434597 415287103 /nfs/dbraw/zinc/28/71/03/415287103.db2.gz OLUJAXMXXCLYGZ-LBPRGKRZSA-N 1 2 323.360 0.912 10 0 DCAELO COC(=O)CCN1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000069195211 415397908 /nfs/dbraw/zinc/39/79/08/415397908.db2.gz YEDQRRPBGGNOPU-ZDUSSCGKSA-N 1 2 311.426 0.614 10 0 DCAELO Cc1ccc(F)c(CN2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)c1 ZINC000275545951 415377763 /nfs/dbraw/zinc/37/77/63/415377763.db2.gz FTUPQCRBISWPJS-AWEZNQCLSA-N 1 2 309.385 0.752 10 0 DCAELO Cc1ccc(F)c(CN2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)c1 ZINC000275545951 415377770 /nfs/dbraw/zinc/37/77/70/415377770.db2.gz FTUPQCRBISWPJS-AWEZNQCLSA-N 1 2 309.385 0.752 10 0 DCAELO C[C@H](CNC(=O)CCOC1CCOCC1)[NH+]1CCOCC1 ZINC000084581542 415496007 /nfs/dbraw/zinc/49/60/07/415496007.db2.gz HMNBGXBEEBNIGL-CYBMUJFWSA-N 1 2 300.399 0.409 10 0 DCAELO COC(C)(C)C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000088212678 415512849 /nfs/dbraw/zinc/51/28/49/415512849.db2.gz JVDBWXYJFOBPTG-ZDUSSCGKSA-N 1 2 311.426 0.567 10 0 DCAELO C[C@@H]1CC[C@H](C(=O)N2CC[C@H]([N@H+](C)Cc3nccc(N)n3)C2)O1 ZINC000333028278 415534809 /nfs/dbraw/zinc/53/48/09/415534809.db2.gz LLFXITZDUAEQPR-FRRDWIJNSA-N 1 2 319.409 0.659 10 0 DCAELO C[C@@H]1CC[C@H](C(=O)N2CC[C@H]([N@@H+](C)Cc3nccc(N)n3)C2)O1 ZINC000333028278 415534817 /nfs/dbraw/zinc/53/48/17/415534817.db2.gz LLFXITZDUAEQPR-FRRDWIJNSA-N 1 2 319.409 0.659 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH]nc4C3)C[C@H]21 ZINC000284838814 415603771 /nfs/dbraw/zinc/60/37/71/415603771.db2.gz ZDOXBXZORXBCMJ-NILFDRSVSA-N 1 2 304.394 0.446 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH]nc4C3)C[C@H]21 ZINC000284838814 415603776 /nfs/dbraw/zinc/60/37/76/415603776.db2.gz ZDOXBXZORXBCMJ-NILFDRSVSA-N 1 2 304.394 0.446 10 0 DCAELO C[C@@H](CNC(=O)N1CCC(n2cc[nH+]c2)CC1)N1CCOCC1 ZINC000103305036 415617203 /nfs/dbraw/zinc/61/72/03/415617203.db2.gz RPDVGTFYFZUPLT-AWEZNQCLSA-N 1 2 321.425 0.950 10 0 DCAELO COc1ccc(O)c(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000105569962 415632446 /nfs/dbraw/zinc/63/24/46/415632446.db2.gz BAKSPQPWTAHPQZ-LBPRGKRZSA-N 1 2 306.362 0.948 10 0 DCAELO Cc1cc(=O)cc(C)n1CCCC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000353759802 415647848 /nfs/dbraw/zinc/64/78/48/415647848.db2.gz GFEAODJRGXKXPV-INIZCTEOSA-N 1 2 321.421 0.692 10 0 DCAELO Cc1cc(=O)cc(C)n1CCCC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000353759802 415647857 /nfs/dbraw/zinc/64/78/57/415647857.db2.gz GFEAODJRGXKXPV-INIZCTEOSA-N 1 2 321.421 0.692 10 0 DCAELO CC(C)(C)CC(=O)NCC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000115164745 415723387 /nfs/dbraw/zinc/72/33/87/415723387.db2.gz KWRIMIROQNGXAI-ZDUSSCGKSA-N 1 2 311.426 0.518 10 0 DCAELO CC(C)(C)CC(=O)NCC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000115164745 415723394 /nfs/dbraw/zinc/72/33/94/415723394.db2.gz KWRIMIROQNGXAI-ZDUSSCGKSA-N 1 2 311.426 0.518 10 0 DCAELO C[C@@H](C(=O)NC1CCCC1)N1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000116277385 415727422 /nfs/dbraw/zinc/72/74/22/415727422.db2.gz XDWBBYBVXMCOJG-ZFWWWQNUSA-N 1 2 322.453 0.282 10 0 DCAELO Cc1nnc2ccc(NCC(C)(C)[NH+]3CCS(=O)CC3)nn12 ZINC000333775264 415738443 /nfs/dbraw/zinc/73/84/43/415738443.db2.gz YZLCUJYYYWGPMJ-UHFFFAOYSA-N 1 2 322.438 0.688 10 0 DCAELO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2cccs2)C[C@@H]1C ZINC000122398321 415831781 /nfs/dbraw/zinc/83/17/81/415831781.db2.gz MEDBJLVUWSWRLY-WDEREUQCSA-N 1 2 304.437 0.824 10 0 DCAELO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2cccs2)C[C@@H]1C ZINC000122398321 415831783 /nfs/dbraw/zinc/83/17/83/415831783.db2.gz MEDBJLVUWSWRLY-WDEREUQCSA-N 1 2 304.437 0.824 10 0 DCAELO COc1cnc(NC(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)nc1 ZINC000297105821 415951069 /nfs/dbraw/zinc/95/10/69/415951069.db2.gz MLYVUCNUDPNWKK-WCQYABFASA-N 1 2 321.381 0.670 10 0 DCAELO Cc1cc(N2CC[C@H]([N@H+](C)CC(=O)NC3CC3)C2=O)n(C)n1 ZINC000152875833 415971557 /nfs/dbraw/zinc/97/15/57/415971557.db2.gz HLTJEUXIUNWNBL-LBPRGKRZSA-N 1 2 305.382 0.044 10 0 DCAELO Cc1cc(N2CC[C@H]([N@@H+](C)CC(=O)NC3CC3)C2=O)n(C)n1 ZINC000152875833 415971560 /nfs/dbraw/zinc/97/15/60/415971560.db2.gz HLTJEUXIUNWNBL-LBPRGKRZSA-N 1 2 305.382 0.044 10 0 DCAELO C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC1CC1)c1nnc2n1CCCC2 ZINC000173630290 416062014 /nfs/dbraw/zinc/06/20/14/416062014.db2.gz DBKVIQLYUDJZBC-ZJUUUORDSA-N 1 2 320.397 0.642 10 0 DCAELO CC[C@H](C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)N1CCCC1=O ZINC000173591332 416062019 /nfs/dbraw/zinc/06/20/19/416062019.db2.gz CMILBYORGOVMGS-ZIAGYGMSSA-N 1 2 309.410 0.367 10 0 DCAELO CC[C@H](C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)N1CCCC1=O ZINC000173591332 416062022 /nfs/dbraw/zinc/06/20/22/416062022.db2.gz CMILBYORGOVMGS-ZIAGYGMSSA-N 1 2 309.410 0.367 10 0 DCAELO CC(=O)N1CCC[C@H]1C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000173869241 416068488 /nfs/dbraw/zinc/06/84/88/416068488.db2.gz GHANPIMNTYKAFI-AEGPPILISA-N 1 2 309.410 0.176 10 0 DCAELO COCc1csc(NC(=O)NCC[NH+]2CCOCC2)n1 ZINC000174407367 416078020 /nfs/dbraw/zinc/07/80/20/416078020.db2.gz FTCSWQJCJUSQIO-UHFFFAOYSA-N 1 2 300.384 0.743 10 0 DCAELO [NH3+]CC(F)(F)CNS(=O)(=O)c1ccc(F)c(F)c1F ZINC000162627513 416014613 /nfs/dbraw/zinc/01/46/13/416014613.db2.gz IQWPAWSKRKGTKS-UHFFFAOYSA-N 1 2 304.240 0.976 10 0 DCAELO CCCCOCCNC(=O)C[NH+]1CCN(c2cccnn2)CC1 ZINC000170648871 416027738 /nfs/dbraw/zinc/02/77/38/416027738.db2.gz JWBUTVXMQUGVNT-UHFFFAOYSA-N 1 2 321.425 0.532 10 0 DCAELO O=C(C[NH+]1CCC(N2CCNC2=O)CC1)Nc1ccncc1 ZINC000171053719 416035516 /nfs/dbraw/zinc/03/55/16/416035516.db2.gz FMGRVWQXJAAJFY-UHFFFAOYSA-N 1 2 303.366 0.510 10 0 DCAELO Cc1noc(CCNC(=O)NCc2ccc[nH+]c2N(C)C)n1 ZINC000171184974 416038467 /nfs/dbraw/zinc/03/84/67/416038467.db2.gz PNGSHJMIONVCES-UHFFFAOYSA-N 1 2 304.354 0.881 10 0 DCAELO C[C@H](O)CC(C)(C)CNC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000175004130 416094772 /nfs/dbraw/zinc/09/47/72/416094772.db2.gz WHJREHLKZWCQFW-STQMWFEESA-N 1 2 301.431 0.803 10 0 DCAELO Cn1cc(C[N@@H+]2CCCN(S(=O)(=O)CCCF)CC2)cn1 ZINC000175575368 416110857 /nfs/dbraw/zinc/11/08/57/416110857.db2.gz ZWLJWHDLWZWVQI-UHFFFAOYSA-N 1 2 318.418 0.617 10 0 DCAELO Cn1cc(C[N@H+]2CCCN(S(=O)(=O)CCCF)CC2)cn1 ZINC000175575368 416110860 /nfs/dbraw/zinc/11/08/60/416110860.db2.gz ZWLJWHDLWZWVQI-UHFFFAOYSA-N 1 2 318.418 0.617 10 0 DCAELO CC(C)Cn1ccnc1CNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000176431832 416125349 /nfs/dbraw/zinc/12/53/49/416125349.db2.gz LCYHVLFEEUPBEX-CYBMUJFWSA-N 1 2 309.414 0.669 10 0 DCAELO CC(C)Cn1ccnc1CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000176431832 416125353 /nfs/dbraw/zinc/12/53/53/416125353.db2.gz LCYHVLFEEUPBEX-CYBMUJFWSA-N 1 2 309.414 0.669 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)NCc2ccc3cc[nH]c3n2)C1 ZINC000357768364 416130106 /nfs/dbraw/zinc/13/01/06/416130106.db2.gz XKLZPVDTZIRKRQ-ZDUSSCGKSA-N 1 2 303.366 0.693 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)NCc2ccc3cc[nH]c3n2)C1 ZINC000357768364 416130109 /nfs/dbraw/zinc/13/01/09/416130109.db2.gz XKLZPVDTZIRKRQ-ZDUSSCGKSA-N 1 2 303.366 0.693 10 0 DCAELO COCCc1noc(CN2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1 ZINC000177233648 416142238 /nfs/dbraw/zinc/14/22/38/416142238.db2.gz SFFVGHRHDYPCPP-OLZOCXBDSA-N 1 2 310.398 0.411 10 0 DCAELO COCCc1noc(C[N@@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)n1 ZINC000177233648 416142243 /nfs/dbraw/zinc/14/22/43/416142243.db2.gz SFFVGHRHDYPCPP-OLZOCXBDSA-N 1 2 310.398 0.411 10 0 DCAELO COCCc1noc(C[N@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)n1 ZINC000177233648 416142245 /nfs/dbraw/zinc/14/22/45/416142245.db2.gz SFFVGHRHDYPCPP-OLZOCXBDSA-N 1 2 310.398 0.411 10 0 DCAELO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)[C@@H]1CSCCS1 ZINC000177289038 416144958 /nfs/dbraw/zinc/14/49/58/416144958.db2.gz VORLECSLBXAIBF-NEPJUHHUSA-N 1 2 302.465 0.814 10 0 DCAELO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)[C@@H]1CSCCS1 ZINC000177289038 416144961 /nfs/dbraw/zinc/14/49/61/416144961.db2.gz VORLECSLBXAIBF-NEPJUHHUSA-N 1 2 302.465 0.814 10 0 DCAELO Cc1cc(C)n(C[C@@H]2CN([C@@H](C)C[NH+]3CCOCC3)CCO2)n1 ZINC000180478717 416197826 /nfs/dbraw/zinc/19/78/26/416197826.db2.gz HDZBVVHMWVMATN-IRXDYDNUSA-N 1 2 322.453 0.921 10 0 DCAELO COCCCOCC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000181126222 416204691 /nfs/dbraw/zinc/20/46/91/416204691.db2.gz LPFBNXULGJLKOU-KGLIPLIRSA-N 1 2 300.399 0.219 10 0 DCAELO CC(C)Cn1cc[nH+]c1CNC(=O)NCC(=O)NCC1CC1 ZINC000181217894 416204904 /nfs/dbraw/zinc/20/49/04/416204904.db2.gz BUZIJHGQMKPWNN-UHFFFAOYSA-N 1 2 307.398 0.865 10 0 DCAELO COC(=O)[C@H](O)C1CC[NH+](Cc2nnc(C3CCC3)n2C)CC1 ZINC000181512027 416207721 /nfs/dbraw/zinc/20/77/21/416207721.db2.gz KEMALULSSMYYRB-CQSZACIVSA-N 1 2 322.409 0.829 10 0 DCAELO COCc1noc(CN2CC[NH+]([C@H]3CCCCNC3=O)CC2)n1 ZINC000182448323 416222374 /nfs/dbraw/zinc/22/23/74/416222374.db2.gz MURCUXZZESTFPS-LBPRGKRZSA-N 1 2 323.397 0.002 10 0 DCAELO Cc1ccc(CN(CCO)C(=O)NC[C@H]2C[N@H+](C)CCO2)cc1 ZINC000182620369 416228646 /nfs/dbraw/zinc/22/86/46/416228646.db2.gz KJKISNCWFIDUFL-INIZCTEOSA-N 1 2 321.421 0.830 10 0 DCAELO Cc1ccc(CN(CCO)C(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000182620369 416228650 /nfs/dbraw/zinc/22/86/50/416228650.db2.gz KJKISNCWFIDUFL-INIZCTEOSA-N 1 2 321.421 0.830 10 0 DCAELO CC(C)COC[C@H](O)CNc1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000178367042 416163400 /nfs/dbraw/zinc/16/34/00/416163400.db2.gz HJPXCSDDPUOQLI-ZIAGYGMSSA-N 1 2 324.425 0.883 10 0 DCAELO CC(C)COC[C@H](O)CNc1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000178367042 416163406 /nfs/dbraw/zinc/16/34/06/416163406.db2.gz HJPXCSDDPUOQLI-ZIAGYGMSSA-N 1 2 324.425 0.883 10 0 DCAELO NS(=O)(=O)CCC[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000178405529 416163420 /nfs/dbraw/zinc/16/34/20/416163420.db2.gz GNQZSJOEOJMPBN-RYUDHWBXSA-N 1 2 318.395 0.083 10 0 DCAELO NS(=O)(=O)CCC[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000178405529 416163423 /nfs/dbraw/zinc/16/34/23/416163423.db2.gz GNQZSJOEOJMPBN-RYUDHWBXSA-N 1 2 318.395 0.083 10 0 DCAELO Cc1cc(N2CC[NH+](CC(=O)NC(=O)NC(C)(C)C)CC2)n[nH]1 ZINC000187192466 416261029 /nfs/dbraw/zinc/26/10/29/416261029.db2.gz RSIJKDXILMHOOR-UHFFFAOYSA-N 1 2 322.413 0.464 10 0 DCAELO O=C(NCCCNc1cccc[nH+]1)c1cc2c(cn1)nc[nH]c2=O ZINC000189688880 416267503 /nfs/dbraw/zinc/26/75/03/416267503.db2.gz FZZAWZMHNWVQOV-UHFFFAOYSA-N 1 2 324.344 0.945 10 0 DCAELO COC(=O)[C@@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)C1CC1 ZINC000358809154 416277278 /nfs/dbraw/zinc/27/72/78/416277278.db2.gz JEEXSYOVWNECBB-ZFWWWQNUSA-N 1 2 314.451 0.736 10 0 DCAELO O=C1CCCN1CCCNc1cc(N2CCOCC2)nc[nH+]1 ZINC000192262914 416304269 /nfs/dbraw/zinc/30/42/69/416304269.db2.gz GQTGGEBFACWLMQ-UHFFFAOYSA-N 1 2 305.382 0.738 10 0 DCAELO O=C1CCCN1CCCNc1cc(N2CCOCC2)[nH+]cn1 ZINC000192262914 416304274 /nfs/dbraw/zinc/30/42/74/416304274.db2.gz GQTGGEBFACWLMQ-UHFFFAOYSA-N 1 2 305.382 0.738 10 0 DCAELO c1ccc(Cn2nnnc2C[N@@H+]2CCN3CCOC[C@@H]3C2)cc1 ZINC000543554500 416640310 /nfs/dbraw/zinc/64/03/10/416640310.db2.gz ALFXLFZHWBEFET-HNNXBMFYSA-N 1 2 314.393 0.238 10 0 DCAELO c1ccc(Cn2nnnc2C[N@H+]2CCN3CCOC[C@@H]3C2)cc1 ZINC000543554500 416640317 /nfs/dbraw/zinc/64/03/17/416640317.db2.gz ALFXLFZHWBEFET-HNNXBMFYSA-N 1 2 314.393 0.238 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCO[C@H]2c2cccnc2)C1 ZINC000623096862 416743401 /nfs/dbraw/zinc/74/34/01/416743401.db2.gz HTQRFALAFMORHE-KFWWJZLASA-N 1 2 320.393 0.541 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCO[C@H]2c2cccnc2)C1 ZINC000623096862 416743412 /nfs/dbraw/zinc/74/34/12/416743412.db2.gz HTQRFALAFMORHE-KFWWJZLASA-N 1 2 320.393 0.541 10 0 DCAELO C[C@H](CNC(=O)N1CCC[C@H](c2nnc[nH]2)C1)[NH+]1CCOCC1 ZINC000370118014 416883416 /nfs/dbraw/zinc/88/34/16/416883416.db2.gz ZJLCESLEHQOOGG-OLZOCXBDSA-N 1 2 322.413 0.414 10 0 DCAELO CCOC(=O)c1ccccc1[C@H]1C[NH2+]CCN1S(C)(=O)=O ZINC000616605098 417085424 /nfs/dbraw/zinc/08/54/24/417085424.db2.gz RZDBSURBXYMECP-CYBMUJFWSA-N 1 2 312.391 0.769 10 0 DCAELO CCOC(=O)c1ccc([C@@H]2CN(S(C)(=O)=O)CC[NH2+]2)cc1 ZINC000616635317 417086405 /nfs/dbraw/zinc/08/64/05/417086405.db2.gz PRBOPIGIZWNCBL-ZDUSSCGKSA-N 1 2 312.391 0.769 10 0 DCAELO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N2CC[C@H](O)CC23CCC3)C1 ZINC000632476134 417114991 /nfs/dbraw/zinc/11/49/91/417114991.db2.gz TWRYJJJVTYVDLH-QWHCGFSZSA-N 1 2 318.439 0.026 10 0 DCAELO C[N@H+]1CCO[C@@H](CS(=O)(=O)N2CC[C@H](O)CC23CCC3)C1 ZINC000632476134 417114997 /nfs/dbraw/zinc/11/49/97/417114997.db2.gz TWRYJJJVTYVDLH-QWHCGFSZSA-N 1 2 318.439 0.026 10 0 DCAELO CC(C)CN(C)S(=O)(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000408017174 417133319 /nfs/dbraw/zinc/13/33/19/417133319.db2.gz PUNWJRSXFFSGPR-QWHCGFSZSA-N 1 2 305.444 0.224 10 0 DCAELO CC(C)CN(C)S(=O)(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000408017174 417133326 /nfs/dbraw/zinc/13/33/26/417133326.db2.gz PUNWJRSXFFSGPR-QWHCGFSZSA-N 1 2 305.444 0.224 10 0 DCAELO NC(=O)C[C@@]1(O)CCC[N@H+](Cc2ncn(-c3ccccc3)n2)C1 ZINC000643806734 417378852 /nfs/dbraw/zinc/37/88/52/417378852.db2.gz IEBYPEYSECMSNS-INIZCTEOSA-N 1 2 315.377 0.470 10 0 DCAELO NC(=O)C[C@@]1(O)CCC[N@@H+](Cc2ncn(-c3ccccc3)n2)C1 ZINC000643806734 417378858 /nfs/dbraw/zinc/37/88/58/417378858.db2.gz IEBYPEYSECMSNS-INIZCTEOSA-N 1 2 315.377 0.470 10 0 DCAELO O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N[C@@H]1CCC[C@@H]1CCO ZINC000571235116 417437496 /nfs/dbraw/zinc/43/74/96/417437496.db2.gz KNJAGAIGNPKUPZ-DGCLKSJQSA-N 1 2 316.361 0.940 10 0 DCAELO O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N[C@@H]1CCC[C@H]1CCO ZINC000571235117 417439398 /nfs/dbraw/zinc/43/93/98/417439398.db2.gz KNJAGAIGNPKUPZ-WCQYABFASA-N 1 2 316.361 0.940 10 0 DCAELO C[C@]1(O)CCCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000575147423 417518197 /nfs/dbraw/zinc/51/81/97/417518197.db2.gz XTUYLFXDPCWXLN-HNNXBMFYSA-N 1 2 302.334 0.646 10 0 DCAELO CO[C@@H]1CC[C@H](NC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000530358859 417571618 /nfs/dbraw/zinc/57/16/18/417571618.db2.gz QZWJMMVYYIZMPP-QWHCGFSZSA-N 1 2 307.398 0.804 10 0 DCAELO CC(=O)c1ccc(C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)o1 ZINC000446185884 287437281 /nfs/dbraw/zinc/43/72/81/287437281.db2.gz YUPYVJNUTZFYQI-UHFFFAOYSA-N 1 2 321.377 0.718 10 0 DCAELO C[C@H]1CN(C(=O)c2c(O)cc(F)cc2F)CC[N@@H+]1CCO ZINC000187268573 545915390 /nfs/dbraw/zinc/91/53/90/545915390.db2.gz RZZGAMFJRXAFIJ-VIFPVBQESA-N 1 2 300.305 0.809 10 0 DCAELO C[C@H]1CN(C(=O)c2c(O)cc(F)cc2F)CC[N@H+]1CCO ZINC000187268573 545915395 /nfs/dbraw/zinc/91/53/95/545915395.db2.gz RZZGAMFJRXAFIJ-VIFPVBQESA-N 1 2 300.305 0.809 10 0 DCAELO CN(C)c1nc(N)nc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)n1 ZINC000106174198 261107947 /nfs/dbraw/zinc/10/79/47/261107947.db2.gz HQETURCUXRSSDM-LLVKDONJSA-N 1 2 317.401 0.024 10 0 DCAELO CN(C)c1nc(N)nc(C[N@H+]2CCC[C@@H](Cn3cncn3)C2)n1 ZINC000106174198 261107948 /nfs/dbraw/zinc/10/79/48/261107948.db2.gz HQETURCUXRSSDM-LLVKDONJSA-N 1 2 317.401 0.024 10 0 DCAELO CCC1(CC)CN(CC(=O)N2CC[NH+](C)CC2)CC[S@]1=O ZINC000185230650 261119606 /nfs/dbraw/zinc/11/96/06/261119606.db2.gz TZXQRSAMIQSNRR-OAQYLSRUSA-N 1 2 315.483 0.384 10 0 DCAELO CC(=O)N1CC[NH+](CCNC(=O)C[C@H](O)CC(C)(C)C)CC1 ZINC000362566956 262047550 /nfs/dbraw/zinc/04/75/50/262047550.db2.gz GXGVIMMUOJDKNA-AWEZNQCLSA-N 1 2 313.442 0.454 10 0 DCAELO O=C(Cn1ncc2ccccc21)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000363917630 262136730 /nfs/dbraw/zinc/13/67/30/262136730.db2.gz FNZFXOUYLDRATR-HNNXBMFYSA-N 1 2 314.389 0.969 10 0 DCAELO COC(=O)C(C)(C)N1CC[NH+]([C@H]2CCN(C3CC3)C2=O)CC1 ZINC000494385103 272220605 /nfs/dbraw/zinc/22/06/05/272220605.db2.gz JLAQZUYCZHTYNL-ZDUSSCGKSA-N 1 2 309.410 0.319 10 0 DCAELO CC(=O)N1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000173869225 278024450 /nfs/dbraw/zinc/02/44/50/278024450.db2.gz GHANPIMNTYKAFI-VHDGCEQUSA-N 1 2 309.410 0.176 10 0 DCAELO CC(=O)N[C@H](C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1)C(C)C ZINC000546109288 288015175 /nfs/dbraw/zinc/01/51/75/288015175.db2.gz JHGPCCNDPMGCLI-HNNXBMFYSA-N 1 2 319.409 0.594 10 0 DCAELO C[C@H](C(=O)Nc1nccs1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173989954 278158520 /nfs/dbraw/zinc/15/85/20/278158520.db2.gz XTWSXKWBWFVXCG-NEPJUHHUSA-N 1 2 310.423 0.877 10 0 DCAELO C[C@H](C(=O)Nc1nccs1)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173989954 278158521 /nfs/dbraw/zinc/15/85/21/278158521.db2.gz XTWSXKWBWFVXCG-NEPJUHHUSA-N 1 2 310.423 0.877 10 0 DCAELO C[C@H](C(=O)Nc1nccs1)[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173989954 278158524 /nfs/dbraw/zinc/15/85/24/278158524.db2.gz XTWSXKWBWFVXCG-NEPJUHHUSA-N 1 2 310.423 0.877 10 0 DCAELO Cn1cc(OCC(=O)N2CC[NH+](Cc3ccncc3)CC2)cn1 ZINC000548843364 288181575 /nfs/dbraw/zinc/18/15/75/288181575.db2.gz YPNIOELMRKHXGG-UHFFFAOYSA-N 1 2 315.377 0.538 10 0 DCAELO COCC1(C)CN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000555840215 288363516 /nfs/dbraw/zinc/36/35/16/288363516.db2.gz IYKAEXJVDUQJOF-UHFFFAOYSA-N 1 2 302.334 0.768 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)[C@H](C)C1 ZINC000333161818 290115753 /nfs/dbraw/zinc/11/57/53/290115753.db2.gz MAHBZSKTLCJBRX-QKGCVVFFSA-N 1 2 316.467 0.892 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)[C@H](C)C1 ZINC000333161818 290115754 /nfs/dbraw/zinc/11/57/54/290115754.db2.gz MAHBZSKTLCJBRX-QKGCVVFFSA-N 1 2 316.467 0.892 10 0 DCAELO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000246521345 298187274 /nfs/dbraw/zinc/18/72/74/298187274.db2.gz PHJPSCLDYZONFV-POQQGIQPSA-N 1 2 311.426 0.644 10 0 DCAELO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000246521345 298187277 /nfs/dbraw/zinc/18/72/77/298187277.db2.gz PHJPSCLDYZONFV-POQQGIQPSA-N 1 2 311.426 0.644 10 0 DCAELO C[C@H](CS(C)(=O)=O)NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000174901203 298860416 /nfs/dbraw/zinc/86/04/16/298860416.db2.gz PMEQGSVICZUFJH-VXGBXAGGSA-N 1 2 301.412 0.075 10 0 DCAELO Cc1c[nH]cc(C(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)c1=O ZINC000408392660 301026926 /nfs/dbraw/zinc/02/69/26/301026926.db2.gz IVMOELBICWOLNZ-CYBMUJFWSA-N 1 2 315.377 0.546 10 0 DCAELO Cc1cc(C)n([C@H](C)C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC000328888409 301252512 /nfs/dbraw/zinc/25/25/12/301252512.db2.gz QBVLQRDTMQWCTN-QLFBSQMISA-N 1 2 306.410 0.992 10 0 DCAELO Cc1cc(C)n([C@H](C)C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000328888409 301252516 /nfs/dbraw/zinc/25/25/16/301252516.db2.gz QBVLQRDTMQWCTN-QLFBSQMISA-N 1 2 306.410 0.992 10 0 DCAELO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)CN1CCCC1=O ZINC000156924186 518849224 /nfs/dbraw/zinc/84/92/24/518849224.db2.gz LACHVROGFVRQTF-STQMWFEESA-N 1 2 312.410 0.776 10 0 DCAELO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1C[C@H](O)CN1CCCC1=O ZINC000156924186 518849232 /nfs/dbraw/zinc/84/92/32/518849232.db2.gz LACHVROGFVRQTF-STQMWFEESA-N 1 2 312.410 0.776 10 0 DCAELO COC(=O)[C@@H]1CCN(C(=O)NC[C@H]2C[N@H+](C)CCO2)C[C@@H]1C ZINC000365041525 523707800 /nfs/dbraw/zinc/70/78/00/523707800.db2.gz RNUHUOMAMAIEGZ-RWMBFGLXSA-N 1 2 313.398 0.158 10 0 DCAELO COC(=O)[C@@H]1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)C[C@@H]1C ZINC000365041525 523707811 /nfs/dbraw/zinc/70/78/11/523707811.db2.gz RNUHUOMAMAIEGZ-RWMBFGLXSA-N 1 2 313.398 0.158 10 0 DCAELO COC(=O)[C@@H]1CCN(C(=O)NC[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC000365041515 523709347 /nfs/dbraw/zinc/70/93/47/523709347.db2.gz RNUHUOMAMAIEGZ-FRRDWIJNSA-N 1 2 313.398 0.158 10 0 DCAELO COC(=O)[C@@H]1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC000365041515 523709351 /nfs/dbraw/zinc/70/93/51/523709351.db2.gz RNUHUOMAMAIEGZ-FRRDWIJNSA-N 1 2 313.398 0.158 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)Nc2ccc([S@@](C)=O)cc2)C1 ZINC000245471467 523938873 /nfs/dbraw/zinc/93/88/73/523938873.db2.gz OALJZWZGONYPKB-LAJNKCICSA-N 1 2 311.407 0.876 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)Nc2ccc([S@@](C)=O)cc2)C1 ZINC000245471467 523938877 /nfs/dbraw/zinc/93/88/77/523938877.db2.gz OALJZWZGONYPKB-LAJNKCICSA-N 1 2 311.407 0.876 10 0 DCAELO Cc1cccc(OC[C@H](O)C[NH+]2CC(NC(=O)C3CC3)C2)c1 ZINC000187979166 524760794 /nfs/dbraw/zinc/76/07/94/524760794.db2.gz UXYMVLGYGUAKPZ-OAHLLOKOSA-N 1 2 304.390 0.945 10 0 DCAELO C[C@H](NC(=O)NC[C@@H]1CCCC[C@@H]1O)[C@H](C)[NH+]1CCOCC1 ZINC000154769195 525070057 /nfs/dbraw/zinc/07/00/57/525070057.db2.gz ISSFUSZTOMYULB-AJNGGQMLSA-N 1 2 313.442 0.946 10 0 DCAELO Cc1conc1NC(=O)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000190753300 526297001 /nfs/dbraw/zinc/29/70/01/526297001.db2.gz BYYYHOWHYXWVBO-LLVKDONJSA-N 1 2 303.322 0.809 10 0 DCAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1nccc2ccccc21 ZINC000128055052 526573242 /nfs/dbraw/zinc/57/32/42/526573242.db2.gz ZAHCFIMWONMYPH-AWEZNQCLSA-N 1 2 315.373 0.658 10 0 DCAELO CCN(C)S(=O)(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000173506766 527850418 /nfs/dbraw/zinc/85/04/18/527850418.db2.gz KABHJNVZDOXXMC-UHFFFAOYSA-N 1 2 318.468 0.766 10 0 DCAELO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)N2CCC[C@H](C)C2)CC1 ZINC000182408173 529229383 /nfs/dbraw/zinc/22/93/83/529229383.db2.gz SWWZCOOIEQVFIF-UONOGXRCSA-N 1 2 319.471 0.352 10 0 DCAELO CC[C@@H](SC)C(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000328639453 529251088 /nfs/dbraw/zinc/25/10/88/529251088.db2.gz PNEPMKHDHBTKEO-GHMZBOCLSA-N 1 2 303.428 0.822 10 0 DCAELO CC[C@@H](SC)C(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000328639453 529251089 /nfs/dbraw/zinc/25/10/89/529251089.db2.gz PNEPMKHDHBTKEO-GHMZBOCLSA-N 1 2 303.428 0.822 10 0 DCAELO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)C2CC=CC2)CC1 ZINC000076997050 545678963 /nfs/dbraw/zinc/67/89/63/545678963.db2.gz OWSHJLNESYWNIS-AWEZNQCLSA-N 1 2 321.421 0.344 10 0 DCAELO CCC(=O)N1CSC[C@H]1C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000332754626 546059126 /nfs/dbraw/zinc/05/91/26/546059126.db2.gz FSSPRRAAXFIHKK-NEPJUHHUSA-N 1 2 315.439 0.135 10 0 DCAELO C[C@@H](NC(=O)C1CCCC1)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000332902415 546065340 /nfs/dbraw/zinc/06/53/40/546065340.db2.gz PSLZDGXCPUWKPA-HIFRSBDPSA-N 1 2 323.437 0.614 10 0 DCAELO Cc1nc(N2CC[C@@](O)(Cn3ccnn3)C2)c2c([nH+]1)CCCC2 ZINC000671466641 547219012 /nfs/dbraw/zinc/21/90/12/547219012.db2.gz OHAXIOYEYMZYMN-INIZCTEOSA-N 1 2 314.393 0.897 10 0 DCAELO CCCC[C@@H]1NC(=O)N(C[NH+]2CCC(C(=O)N(C)C)CC2)C1=O ZINC000068239927 665407664 /nfs/dbraw/zinc/40/76/64/665407664.db2.gz IRRRVVGMMFXSBS-ZDUSSCGKSA-N 1 2 324.425 0.855 10 0 DCAELO NC(=O)C1(O)CC[NH+](Cc2ncccc2Br)CC1 ZINC000311095069 663885715 /nfs/dbraw/zinc/88/57/15/663885715.db2.gz QRQZWJCJWGPQBP-UHFFFAOYSA-N 1 2 314.183 0.656 10 0 DCAELO COC(=O)[C@H]1CCC[N@H+](CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C1 ZINC000151655450 664710653 /nfs/dbraw/zinc/71/06/53/664710653.db2.gz DSTYLSCSFDVULH-RWMBFGLXSA-N 1 2 306.362 0.780 10 0 DCAELO COC(=O)[C@H]1CCC[N@@H+](CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C1 ZINC000151655450 664710654 /nfs/dbraw/zinc/71/06/54/664710654.db2.gz DSTYLSCSFDVULH-RWMBFGLXSA-N 1 2 306.362 0.780 10 0 DCAELO CSCCCC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000134895154 667556498 /nfs/dbraw/zinc/55/64/98/667556498.db2.gz ICBQFIAJMQZQMR-UHFFFAOYSA-N 1 2 322.496 0.755 10 0 DCAELO Cc1cnccc1C[NH+]1CCN([C@@]2(C(N)=O)CCOC2)CC1 ZINC000886026648 667725349 /nfs/dbraw/zinc/72/53/49/667725349.db2.gz APQFWFRVBWNHCT-INIZCTEOSA-N 1 2 304.394 0.152 10 0 DCAELO CN(C)c1ccc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)cc1 ZINC000129602223 669511731 /nfs/dbraw/zinc/51/17/31/669511731.db2.gz PYUIIXVPADOFCV-UHFFFAOYSA-N 1 2 316.405 0.998 10 0 DCAELO CCOC(=O)c1cnn(C[NH+]2CCC(C(=O)N(C)C)CC2)c1 ZINC000132370099 669718203 /nfs/dbraw/zinc/71/82/03/669718203.db2.gz ZORYQMVKADKEER-UHFFFAOYSA-N 1 2 308.382 0.818 10 0 DCAELO C[C@@H]1CN(C(=O)c2cnn(-c3ccccc3)n2)CC[N@@H+]1CCO ZINC000188701569 670038326 /nfs/dbraw/zinc/03/83/26/670038326.db2.gz HRWFXPXOZYTHDJ-CYBMUJFWSA-N 1 2 315.377 0.406 10 0 DCAELO C[C@@H]1CN(C(=O)c2cnn(-c3ccccc3)n2)CC[N@H+]1CCO ZINC000188701569 670038329 /nfs/dbraw/zinc/03/83/29/670038329.db2.gz HRWFXPXOZYTHDJ-CYBMUJFWSA-N 1 2 315.377 0.406 10 0 DCAELO CC(C)(O)C[NH+]1CCN(S(=O)(=O)CCCC2CC2)CC1 ZINC000715002323 670202111 /nfs/dbraw/zinc/20/21/11/670202111.db2.gz OHXJRCDLEHKDME-UHFFFAOYSA-N 1 2 304.456 0.895 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)c2cnn(-c3ccccc3)n2)C1 ZINC000194613941 670444312 /nfs/dbraw/zinc/44/43/12/670444312.db2.gz SXUKHEJAVOEHOL-CYBMUJFWSA-N 1 2 301.350 0.328 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)c2cnn(-c3ccccc3)n2)C1 ZINC000194613941 670444314 /nfs/dbraw/zinc/44/43/14/670444314.db2.gz SXUKHEJAVOEHOL-CYBMUJFWSA-N 1 2 301.350 0.328 10 0 DCAELO CC(C)N1CCO[C@@H](C[NH+]2CCN([C@H]3CCOC3=O)CC2)C1 ZINC000247021657 685168944 /nfs/dbraw/zinc/16/89/44/685168944.db2.gz CRKVRMCUNRERAG-GJZGRUSLSA-N 1 2 311.426 0.029 10 0 DCAELO CNC(=O)NCC(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000275646277 529884446 /nfs/dbraw/zinc/88/44/46/529884446.db2.gz NXMKDODAMNOPSW-LLVKDONJSA-N 1 2 321.381 0.056 10 0 DCAELO CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000179273483 529902657 /nfs/dbraw/zinc/90/26/57/529902657.db2.gz XPYPZTXFGFDDDD-AVGNSLFASA-N 1 2 312.414 0.016 10 0 DCAELO O=C(N[C@@H]1CCc2n[nH]cc2C1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000153911971 295789946 /nfs/dbraw/zinc/78/99/46/295789946.db2.gz HNXKKZUGVZTJOX-KGLIPLIRSA-N 1 2 319.409 0.383 10 0 DCAELO CNC(=O)[C@@H]1CCCN(C(=O)NCc2cn3c([nH+]2)CCCC3)C1 ZINC000265143441 186339130 /nfs/dbraw/zinc/33/91/30/186339130.db2.gz NVTPQECRXFWBSY-GFCCVEGCSA-N 1 2 319.409 0.887 10 0 DCAELO C[C@@H](CS(C)(=O)=O)NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000172054327 198031966 /nfs/dbraw/zinc/03/19/66/198031966.db2.gz ACLICSMGQYIJGH-GXTWGEPZSA-N 1 2 312.435 0.709 10 0 DCAELO Cc1[nH+]c2ccccc2n1CC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000172372626 198086731 /nfs/dbraw/zinc/08/67/31/198086731.db2.gz LULDSFCQYZVYQN-NSHDSACASA-N 1 2 321.402 0.990 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC(Cn3cccn3)CC2)C1 ZINC000172376134 198088151 /nfs/dbraw/zinc/08/81/51/198088151.db2.gz KYHZYSKGJNTWQO-HNNXBMFYSA-N 1 2 321.425 0.635 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)N2CCC(Cn3cccn3)CC2)C1 ZINC000172376134 198088152 /nfs/dbraw/zinc/08/81/52/198088152.db2.gz KYHZYSKGJNTWQO-HNNXBMFYSA-N 1 2 321.425 0.635 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cnn(C)c2)nc[nH+]1 ZINC000173444569 198215436 /nfs/dbraw/zinc/21/54/36/198215436.db2.gz YTJOMEQULKEVFK-GFCCVEGCSA-N 1 2 315.381 0.651 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cnn(C)c2)[nH+]cn1 ZINC000173444569 198215437 /nfs/dbraw/zinc/21/54/37/198215437.db2.gz YTJOMEQULKEVFK-GFCCVEGCSA-N 1 2 315.381 0.651 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNS(=O)(=O)C2CC2)nc[nH+]1 ZINC000173901340 198266293 /nfs/dbraw/zinc/26/62/93/198266293.db2.gz YOVBBRFIEXURRX-JTQLQIEISA-N 1 2 311.411 0.569 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNS(=O)(=O)C2CC2)[nH+]cn1 ZINC000173901340 198266295 /nfs/dbraw/zinc/26/62/95/198266295.db2.gz YOVBBRFIEXURRX-JTQLQIEISA-N 1 2 311.411 0.569 10 0 DCAELO CCCC(=O)N[C@@H]1CCCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)C1 ZINC000188480443 200253415 /nfs/dbraw/zinc/25/34/15/200253415.db2.gz IRMZQJKOJGAIQN-LLVKDONJSA-N 1 2 319.409 0.576 10 0 DCAELO CSCCC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000154949244 291217107 /nfs/dbraw/zinc/21/71/07/291217107.db2.gz PLJLVKQNGNOJFI-ZDUSSCGKSA-N 1 2 313.467 0.895 10 0 DCAELO Cn1cc(CC(=O)N(CC2CC2)C[C@H]2C[N@H+](C)CCO2)cn1 ZINC000276553017 238325133 /nfs/dbraw/zinc/32/51/33/238325133.db2.gz SEHYVVWHCAGTLK-OAHLLOKOSA-N 1 2 306.410 0.532 10 0 DCAELO Cn1cc(CC(=O)N(CC2CC2)C[C@H]2C[N@@H+](C)CCO2)cn1 ZINC000276553017 238325138 /nfs/dbraw/zinc/32/51/38/238325138.db2.gz SEHYVVWHCAGTLK-OAHLLOKOSA-N 1 2 306.410 0.532 10 0 DCAELO C[C@H](C(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1)c1ccccc1 ZINC000276658161 238325169 /nfs/dbraw/zinc/32/51/69/238325169.db2.gz YPLQLHQJMFQQNC-DZGCQCFKSA-N 1 2 319.405 0.435 10 0 DCAELO C[C@H](C(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1)c1ccccc1 ZINC000276658161 238325177 /nfs/dbraw/zinc/32/51/77/238325177.db2.gz YPLQLHQJMFQQNC-DZGCQCFKSA-N 1 2 319.405 0.435 10 0 DCAELO Cc1nn(C)c(CNC[C@H]2C[N@H+](C)CCO2)c1Br ZINC000091670961 193089269 /nfs/dbraw/zinc/08/92/69/193089269.db2.gz CBZGAKQALJUNDA-JTQLQIEISA-N 1 2 317.231 0.911 10 0 DCAELO Cc1nn(C)c(CNC[C@H]2C[N@@H+](C)CCO2)c1Br ZINC000091670961 193089272 /nfs/dbraw/zinc/08/92/72/193089272.db2.gz CBZGAKQALJUNDA-JTQLQIEISA-N 1 2 317.231 0.911 10 0 DCAELO O=S(=O)(CC1CC1)NCc1ccc[nH+]c1N1CCOCC1 ZINC000265029395 204351370 /nfs/dbraw/zinc/35/13/70/204351370.db2.gz FPBIBQRENBRHAA-UHFFFAOYSA-N 1 2 311.407 0.748 10 0 DCAELO C[C@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)CCN1CC(F)(F)F ZINC000128475133 545780726 /nfs/dbraw/zinc/78/07/26/545780726.db2.gz DDPPXTPXDGNEOC-RYUDHWBXSA-N 1 2 323.359 0.538 10 0 DCAELO C[C@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)CCN1CC(F)(F)F ZINC000128475133 545780720 /nfs/dbraw/zinc/78/07/20/545780720.db2.gz DDPPXTPXDGNEOC-RYUDHWBXSA-N 1 2 323.359 0.538 10 0 DCAELO O=C(c1cn2c(n1)CCCC2)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000328696118 284737687 /nfs/dbraw/zinc/73/76/87/284737687.db2.gz GPQFHWZEKNNILD-CYBMUJFWSA-N 1 2 304.394 0.766 10 0 DCAELO CNC(=O)c1cccc(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000105283151 194092857 /nfs/dbraw/zinc/09/28/57/194092857.db2.gz QUTKSQRZKHPEKY-CYBMUJFWSA-N 1 2 306.366 0.498 10 0 DCAELO CNC(=O)c1cccc(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000105283151 194092860 /nfs/dbraw/zinc/09/28/60/194092860.db2.gz QUTKSQRZKHPEKY-CYBMUJFWSA-N 1 2 306.366 0.498 10 0 DCAELO CCc1nn(C)c(Cl)c1CN1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC000105870326 194152275 /nfs/dbraw/zinc/15/22/75/194152275.db2.gz GGJLCHGPHVYHLL-JTQLQIEISA-N 1 2 313.833 0.627 10 0 DCAELO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000106381515 194204924 /nfs/dbraw/zinc/20/49/24/194204924.db2.gz PEAVFETWPKDHQK-GFCCVEGCSA-N 1 2 316.398 0.903 10 0 DCAELO COc1cncnc1NC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000297343547 533155656 /nfs/dbraw/zinc/15/56/56/533155656.db2.gz FKPPWHNIHDQDPU-NEPJUHHUSA-N 1 2 321.381 0.670 10 0 DCAELO COC[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)CC(C)(C)O1 ZINC000408027710 285299852 /nfs/dbraw/zinc/29/98/52/285299852.db2.gz AYNUJYQCCHAFCR-LBPRGKRZSA-N 1 2 306.428 0.148 10 0 DCAELO COC[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)CC(C)(C)O1 ZINC000408027710 285299853 /nfs/dbraw/zinc/29/98/53/285299853.db2.gz AYNUJYQCCHAFCR-LBPRGKRZSA-N 1 2 306.428 0.148 10 0 DCAELO O=C([C@@H]1CCCO1)N1Cc2[nH+]ccn2C[C@@H](Cn2cccn2)C1 ZINC000247752890 257118531 /nfs/dbraw/zinc/11/85/31/257118531.db2.gz BUXVIFALSHGFPX-KGLIPLIRSA-N 1 2 315.377 0.917 10 0 DCAELO Cn1cc(CCNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)cn1 ZINC000284082907 131046792 /nfs/dbraw/zinc/04/67/92/131046792.db2.gz RFPNYBCJHCKZKM-ZIAGYGMSSA-N 1 2 307.398 0.077 10 0 DCAELO Cn1cc(CCNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)cn1 ZINC000284082907 131046795 /nfs/dbraw/zinc/04/67/95/131046795.db2.gz RFPNYBCJHCKZKM-ZIAGYGMSSA-N 1 2 307.398 0.077 10 0 DCAELO CC(=O)Nc1nc(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)cs1 ZINC000284434325 131081100 /nfs/dbraw/zinc/08/11/00/131081100.db2.gz JKRCJEAWPGNTQV-VXGBXAGGSA-N 1 2 324.406 0.647 10 0 DCAELO CC(=O)Nc1nc(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)cs1 ZINC000284434325 131081101 /nfs/dbraw/zinc/08/11/01/131081101.db2.gz JKRCJEAWPGNTQV-VXGBXAGGSA-N 1 2 324.406 0.647 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3ccc(C(N)=O)cc3)C[C@@H]21 ZINC000284854346 131116489 /nfs/dbraw/zinc/11/64/89/131116489.db2.gz HUHCYMJFJYDNGT-UONOGXRCSA-N 1 2 318.377 0.722 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3ccc(C(N)=O)cc3)C[C@@H]21 ZINC000284854346 131116491 /nfs/dbraw/zinc/11/64/91/131116491.db2.gz HUHCYMJFJYDNGT-UONOGXRCSA-N 1 2 318.377 0.722 10 0 DCAELO Cc1cc(S(=O)(=O)NC[C@H]2C[N@H+](C)CCO2)c(C)s1 ZINC000194733595 395806065 /nfs/dbraw/zinc/80/60/65/395806065.db2.gz XNFDZHLXFXHHPS-NSHDSACASA-N 1 2 304.437 0.974 10 0 DCAELO Cc1cc(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCO2)c(C)s1 ZINC000194733595 395806068 /nfs/dbraw/zinc/80/60/68/395806068.db2.gz XNFDZHLXFXHHPS-NSHDSACASA-N 1 2 304.437 0.974 10 0 DCAELO CCn1cc[nH+]c1CS(=O)(=O)CC(=O)N[C@H](C)C(C)C ZINC000195519664 395831662 /nfs/dbraw/zinc/83/16/62/395831662.db2.gz RZQJVDXGTVLFQG-LLVKDONJSA-N 1 2 301.412 0.979 10 0 DCAELO CCn1cc[nH+]c1CS(=O)(=O)CC(=O)N[C@@H](C)C(C)C ZINC000195519663 395831688 /nfs/dbraw/zinc/83/16/88/395831688.db2.gz RZQJVDXGTVLFQG-NSHDSACASA-N 1 2 301.412 0.979 10 0 DCAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)C2=COCCO2)CC1 ZINC000115387736 395839568 /nfs/dbraw/zinc/83/95/68/395839568.db2.gz FWVIIVPFFPSLTP-UHFFFAOYSA-N 1 2 320.393 0.569 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2cc(F)ccc2F)C1 ZINC000118115923 395860568 /nfs/dbraw/zinc/86/05/68/395860568.db2.gz WJNYKYNIIWJPDZ-JTQLQIEISA-N 1 2 313.304 0.350 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2cc(F)ccc2F)C1 ZINC000118115923 395860570 /nfs/dbraw/zinc/86/05/70/395860570.db2.gz WJNYKYNIIWJPDZ-JTQLQIEISA-N 1 2 313.304 0.350 10 0 DCAELO C[C@H]1C[NH+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C[C@H](C)O1 ZINC000051118344 395845396 /nfs/dbraw/zinc/84/53/96/395845396.db2.gz XPIGNVCZCMMNLV-STQMWFEESA-N 1 2 309.410 0.176 10 0 DCAELO COCC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(F)cc2)C[C@@H]1C ZINC000117522786 395853239 /nfs/dbraw/zinc/85/32/39/395853239.db2.gz ZMHVPKLKQVFNHT-LBPRGKRZSA-N 1 2 323.368 0.943 10 0 DCAELO COCC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(F)cc2)C[C@@H]1C ZINC000117522786 395853242 /nfs/dbraw/zinc/85/32/42/395853242.db2.gz ZMHVPKLKQVFNHT-LBPRGKRZSA-N 1 2 323.368 0.943 10 0 DCAELO C[C@H](CNC(=O)N[C@H](CO)Cc1ccccc1)[NH+]1CCOCC1 ZINC000123155742 395892283 /nfs/dbraw/zinc/89/22/83/395892283.db2.gz AWGYCJMVHJXXLP-ZBFHGGJFSA-N 1 2 321.421 0.610 10 0 DCAELO CNC(=O)[C@H]1CCCN1C(=O)C[N@@H+]1CCc2sccc2C1 ZINC000052432872 395863214 /nfs/dbraw/zinc/86/32/14/395863214.db2.gz CNHKAMGQWBIHSV-GFCCVEGCSA-N 1 2 307.419 0.843 10 0 DCAELO CNC(=O)[C@H]1CCCN1C(=O)C[N@H+]1CCc2sccc2C1 ZINC000052432872 395863216 /nfs/dbraw/zinc/86/32/16/395863216.db2.gz CNHKAMGQWBIHSV-GFCCVEGCSA-N 1 2 307.419 0.843 10 0 DCAELO CCc1nn(C)c(Cl)c1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000119854231 395877304 /nfs/dbraw/zinc/87/73/04/395877304.db2.gz KTTXCUXSUVESHD-VIFPVBQESA-N 1 2 300.790 0.696 10 0 DCAELO CCc1nn(C)c(Cl)c1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000119854231 395877306 /nfs/dbraw/zinc/87/73/06/395877306.db2.gz KTTXCUXSUVESHD-VIFPVBQESA-N 1 2 300.790 0.696 10 0 DCAELO O=C(CNC(=O)NCc1cn2c([nH+]1)CCCC2)NCC1CC1 ZINC000272264106 395880328 /nfs/dbraw/zinc/88/03/28/395880328.db2.gz BOEKLWKRXSHGTI-UHFFFAOYSA-N 1 2 305.382 0.545 10 0 DCAELO CCOCC[N@@H+]1CCN(S(=O)(=O)C[C@H]2CCCO2)C[C@@H]1C ZINC000247117886 395966571 /nfs/dbraw/zinc/96/65/71/395966571.db2.gz NUQYHIQWYRYLOQ-UONOGXRCSA-N 1 2 320.455 0.538 10 0 DCAELO CCOCC[N@H+]1CCN(S(=O)(=O)C[C@H]2CCCO2)C[C@@H]1C ZINC000247117886 395966573 /nfs/dbraw/zinc/96/65/73/395966573.db2.gz NUQYHIQWYRYLOQ-UONOGXRCSA-N 1 2 320.455 0.538 10 0 DCAELO CN1CC[C@H](Nc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)C1=O ZINC000150925832 395975666 /nfs/dbraw/zinc/97/56/66/395975666.db2.gz DGTIERDOWDDCEO-RYUDHWBXSA-N 1 2 305.382 0.328 10 0 DCAELO CN1CC[C@H](Nc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)C1=O ZINC000150925832 395975667 /nfs/dbraw/zinc/97/56/67/395975667.db2.gz DGTIERDOWDDCEO-RYUDHWBXSA-N 1 2 305.382 0.328 10 0 DCAELO Cc1cc(NC(=O)C[NH+]2CCC(C(=O)N(C)C)CC2)n(C)n1 ZINC000248014728 395981231 /nfs/dbraw/zinc/98/12/31/395981231.db2.gz QBVWRCTUEXIDDP-UHFFFAOYSA-N 1 2 307.398 0.467 10 0 DCAELO C[C@@H]1OCC[C@H]1NC(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC000275523443 395985288 /nfs/dbraw/zinc/98/52/88/395985288.db2.gz CIKGBYSBEQSYRR-MELADBBJSA-N 1 2 319.409 0.870 10 0 DCAELO C[C@@H]1OCC[C@H]1NC(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000275523443 395985290 /nfs/dbraw/zinc/98/52/90/395985290.db2.gz CIKGBYSBEQSYRR-MELADBBJSA-N 1 2 319.409 0.870 10 0 DCAELO CC(C)CCn1cc(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)nn1 ZINC000151988961 395997520 /nfs/dbraw/zinc/99/75/20/395997520.db2.gz BEPLDTKVUDYRGE-AWEZNQCLSA-N 1 2 321.425 0.917 10 0 DCAELO CC(C)CCn1cc(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)nn1 ZINC000151988961 395997527 /nfs/dbraw/zinc/99/75/27/395997527.db2.gz BEPLDTKVUDYRGE-AWEZNQCLSA-N 1 2 321.425 0.917 10 0 DCAELO COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000253579771 396031370 /nfs/dbraw/zinc/03/13/70/396031370.db2.gz AFARDZKXYYYARV-XQQFMLRXSA-N 1 2 308.378 0.758 10 0 DCAELO COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000253579771 396031373 /nfs/dbraw/zinc/03/13/73/396031373.db2.gz AFARDZKXYYYARV-XQQFMLRXSA-N 1 2 308.378 0.758 10 0 DCAELO CCOc1ccnc(N2CC[NH+](CC(=O)N[C@@H](C)CC)CC2)n1 ZINC000171594706 396119800 /nfs/dbraw/zinc/11/98/00/396119800.db2.gz PMFQKWQVEVXWMR-ZDUSSCGKSA-N 1 2 321.425 0.912 10 0 DCAELO CCOCC[N@@H+]1CCN(S(=O)(=O)C[C@@H]2CCOC2)C[C@@H]1C ZINC000172261936 396129804 /nfs/dbraw/zinc/12/98/04/396129804.db2.gz AVIYMDYBMCAQON-UONOGXRCSA-N 1 2 320.455 0.395 10 0 DCAELO CCOCC[N@H+]1CCN(S(=O)(=O)C[C@@H]2CCOC2)C[C@@H]1C ZINC000172261936 396129805 /nfs/dbraw/zinc/12/98/05/396129805.db2.gz AVIYMDYBMCAQON-UONOGXRCSA-N 1 2 320.455 0.395 10 0 DCAELO O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCN(Cc2ccon2)CC1 ZINC000263237882 396208374 /nfs/dbraw/zinc/20/83/74/396208374.db2.gz OGWFWABFVONWLP-NSHDSACASA-N 1 2 300.309 0.316 10 0 DCAELO O=C(NCc1ccc(-n2cncn2)cc1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262958650 396194908 /nfs/dbraw/zinc/19/49/08/396194908.db2.gz KKZSLYCLNFIEMA-LBPRGKRZSA-N 1 2 307.304 0.881 10 0 DCAELO CC(=O)N1CC[NH+](CCNC(=O)CCc2ccccc2O)CC1 ZINC000076171468 396197397 /nfs/dbraw/zinc/19/73/97/396197397.db2.gz FLMXRSKIDCIVBA-UHFFFAOYSA-N 1 2 319.405 0.605 10 0 DCAELO O=C(CNC(=O)[C@H]1CC(F)(F)C[NH2+]1)Nc1cccc(F)c1 ZINC000263106967 396201331 /nfs/dbraw/zinc/20/13/31/396201331.db2.gz ZZHKBGVTEKNVMG-SNVBAGLBSA-N 1 2 301.268 0.878 10 0 DCAELO CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)[C@H]1CC(F)(F)C[NH2+]1)CC2 ZINC000263146714 396203041 /nfs/dbraw/zinc/20/30/41/396203041.db2.gz CVBXUCKEQOUHNX-IJLUTSLNSA-N 1 2 318.364 0.762 10 0 DCAELO CNC(=O)[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(C)cc2)CCO1 ZINC000184057639 396282933 /nfs/dbraw/zinc/28/29/33/396282933.db2.gz JHFSMWQCFVKIJO-HIFRSBDPSA-N 1 2 308.378 0.182 10 0 DCAELO CNC(=O)[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(C)cc2)CCO1 ZINC000184057639 396282940 /nfs/dbraw/zinc/28/29/40/396282940.db2.gz JHFSMWQCFVKIJO-HIFRSBDPSA-N 1 2 308.378 0.182 10 0 DCAELO COC(=O)c1coc(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000183659253 396272493 /nfs/dbraw/zinc/27/24/93/396272493.db2.gz LLQFOQVXQNNIRS-GFCCVEGCSA-N 1 2 308.334 0.659 10 0 DCAELO COC(=O)c1coc(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000183659253 396272498 /nfs/dbraw/zinc/27/24/98/396272498.db2.gz LLQFOQVXQNNIRS-GFCCVEGCSA-N 1 2 308.334 0.659 10 0 DCAELO COc1ccc(-c2noc(C[N@@H+]3C[C@@H](O)C[C@@H]3CO)n2)cc1 ZINC000179171875 396222866 /nfs/dbraw/zinc/22/28/66/396222866.db2.gz SLKMKSRGMDQKLC-NEPJUHHUSA-N 1 2 305.334 0.673 10 0 DCAELO COc1ccc(-c2noc(C[N@H+]3C[C@@H](O)C[C@@H]3CO)n2)cc1 ZINC000179171875 396222869 /nfs/dbraw/zinc/22/28/69/396222869.db2.gz SLKMKSRGMDQKLC-NEPJUHHUSA-N 1 2 305.334 0.673 10 0 DCAELO O=C(C[N@H+]1C[C@H](O)C[C@@H]1CO)Nc1ccc(F)c(Cl)c1 ZINC000179184995 396223883 /nfs/dbraw/zinc/22/38/83/396223883.db2.gz GKWANHCXOAJQNP-NXEZZACHSA-N 1 2 302.733 0.845 10 0 DCAELO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1CO)Nc1ccc(F)c(Cl)c1 ZINC000179184995 396223886 /nfs/dbraw/zinc/22/38/86/396223886.db2.gz GKWANHCXOAJQNP-NXEZZACHSA-N 1 2 302.733 0.845 10 0 DCAELO C[C@H](CO)[C@H](C)NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000077771938 396232548 /nfs/dbraw/zinc/23/25/48/396232548.db2.gz PJBKZKPYBGGPBY-OLZOCXBDSA-N 1 2 322.409 0.734 10 0 DCAELO C[C@@H]1CCCN1S(=O)(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000185001171 396313100 /nfs/dbraw/zinc/31/31/00/396313100.db2.gz RWMDTJNCUXVRGQ-DGCLKSJQSA-N 1 2 303.428 0.168 10 0 DCAELO C[C@@H]1CCCN1S(=O)(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000185001171 396313103 /nfs/dbraw/zinc/31/31/03/396313103.db2.gz RWMDTJNCUXVRGQ-DGCLKSJQSA-N 1 2 303.428 0.168 10 0 DCAELO COCC[N@H+](Cc1cc(-c2cnn(C)c2)no1)[C@@H](C)C(N)=O ZINC000185000463 396313495 /nfs/dbraw/zinc/31/34/95/396313495.db2.gz UKIPUQTXKKIDID-JTQLQIEISA-N 1 2 307.354 0.397 10 0 DCAELO COCC[N@@H+](Cc1cc(-c2cnn(C)c2)no1)[C@@H](C)C(N)=O ZINC000185000463 396313499 /nfs/dbraw/zinc/31/34/99/396313499.db2.gz UKIPUQTXKKIDID-JTQLQIEISA-N 1 2 307.354 0.397 10 0 DCAELO Cc1cnc([C@@H](C)[NH2+]CC(=O)N2CCC[C@@H](C(N)=O)C2)s1 ZINC000185008484 396314111 /nfs/dbraw/zinc/31/41/11/396314111.db2.gz KXXILQQOECENCN-GHMZBOCLSA-N 1 2 310.423 0.826 10 0 DCAELO CCCNC(=O)[C@@H](C)[NH+]1CCN(c2cc(OC)ncn2)CC1 ZINC000184071877 396283840 /nfs/dbraw/zinc/28/38/40/396283840.db2.gz BDUCBRRBYNMKHQ-GFCCVEGCSA-N 1 2 307.398 0.522 10 0 DCAELO COCCCCS(=O)(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000184480357 396297199 /nfs/dbraw/zinc/29/71/99/396297199.db2.gz OSUHBACWNVSLBS-STQMWFEESA-N 1 2 308.444 0.442 10 0 DCAELO CCc1nnc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)[nH]1 ZINC000185163009 396320158 /nfs/dbraw/zinc/32/01/58/396320158.db2.gz VSAQPZWPMVSXKJ-LBPRGKRZSA-N 1 2 307.398 0.438 10 0 DCAELO CCc1nnc(C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)[nH]1 ZINC000185163009 396320160 /nfs/dbraw/zinc/32/01/60/396320160.db2.gz VSAQPZWPMVSXKJ-LBPRGKRZSA-N 1 2 307.398 0.438 10 0 DCAELO O[C@H](COc1cccc(-n2ccnn2)c1)C[NH+]1CCOCC1 ZINC000184755018 396304678 /nfs/dbraw/zinc/30/46/78/396304678.db2.gz ADAHCERJNIZNFK-AWEZNQCLSA-N 1 2 304.350 0.339 10 0 DCAELO C[C@@H]1CN(C(=O)CCCCc2c[nH]nn2)C[C@@H]1[NH+]1CCOCC1 ZINC000184829582 396307739 /nfs/dbraw/zinc/30/77/39/396307739.db2.gz DXMLXQZKDGHKAI-HIFRSBDPSA-N 1 2 321.425 0.697 10 0 DCAELO C[C@@H]1CN(C(=O)CCCCc2cn[nH]n2)C[C@@H]1[NH+]1CCOCC1 ZINC000184829582 396307743 /nfs/dbraw/zinc/30/77/43/396307743.db2.gz DXMLXQZKDGHKAI-HIFRSBDPSA-N 1 2 321.425 0.697 10 0 DCAELO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc(N)cc2)CC1 ZINC000186099107 396341417 /nfs/dbraw/zinc/34/14/17/396341417.db2.gz FTVFMZKLJLZPBE-CYBMUJFWSA-N 1 2 313.423 0.346 10 0 DCAELO Cc1cc(N2CC[NH+](CC(=O)NC3CCOCC3)CC2)n[nH]1 ZINC000187261412 396365646 /nfs/dbraw/zinc/36/56/46/396365646.db2.gz JHORRUUCLGZNRK-UHFFFAOYSA-N 1 2 307.398 0.135 10 0 DCAELO C[C@H](NC(=O)N1CCCN(c2cccc[nH+]2)CC1)C(=O)N(C)C ZINC000186362851 396348864 /nfs/dbraw/zinc/34/88/64/396348864.db2.gz DHLBSKQDOQHBNY-ZDUSSCGKSA-N 1 2 319.409 0.780 10 0 DCAELO C[C@@H](C(=O)N1CCCN(c2cccc[nH+]2)CC1)S(C)(=O)=O ZINC000186394881 396349149 /nfs/dbraw/zinc/34/91/49/396349149.db2.gz KVBDDCFRDAPYCI-LBPRGKRZSA-N 1 2 311.407 0.553 10 0 DCAELO C[C@@H]1CN(C(=O)c2cc3c(s2)CCOC3)CC[N@@H+]1CCO ZINC000188784606 396386698 /nfs/dbraw/zinc/38/66/98/396386698.db2.gz YKBKLDODBRYBRZ-LLVKDONJSA-N 1 2 310.419 0.959 10 0 DCAELO C[C@@H]1CN(C(=O)c2cc3c(s2)CCOC3)CC[N@H+]1CCO ZINC000188784606 396386699 /nfs/dbraw/zinc/38/66/99/396386699.db2.gz YKBKLDODBRYBRZ-LLVKDONJSA-N 1 2 310.419 0.959 10 0 DCAELO NC(=O)NCCC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000188893531 396388520 /nfs/dbraw/zinc/38/85/20/396388520.db2.gz TZVWGMWZBCQWPB-UHFFFAOYSA-N 1 2 324.812 0.873 10 0 DCAELO NC(=O)NCCC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000188893531 396388524 /nfs/dbraw/zinc/38/85/24/396388524.db2.gz TZVWGMWZBCQWPB-UHFFFAOYSA-N 1 2 324.812 0.873 10 0 DCAELO COCCN1CCC[N@H+](CC(=O)N2CCC[C@H](C)C2)CC1=O ZINC000190763508 396411218 /nfs/dbraw/zinc/41/12/18/396411218.db2.gz APMKPIUJTGFYDA-AWEZNQCLSA-N 1 2 311.426 0.426 10 0 DCAELO COCCN1CCC[N@@H+](CC(=O)N2CCC[C@H](C)C2)CC1=O ZINC000190763508 396411221 /nfs/dbraw/zinc/41/12/21/396411221.db2.gz APMKPIUJTGFYDA-AWEZNQCLSA-N 1 2 311.426 0.426 10 0 DCAELO CC1(C)C[N@H+](CC(=O)N2CCNC(=O)C2)CC2(CCCC2)O1 ZINC000190957890 396413011 /nfs/dbraw/zinc/41/30/11/396413011.db2.gz SKXSQDXOAPPMAW-UHFFFAOYSA-N 1 2 309.410 0.368 10 0 DCAELO CC1(C)C[N@@H+](CC(=O)N2CCNC(=O)C2)CC2(CCCC2)O1 ZINC000190957890 396413013 /nfs/dbraw/zinc/41/30/13/396413013.db2.gz SKXSQDXOAPPMAW-UHFFFAOYSA-N 1 2 309.410 0.368 10 0 DCAELO COc1ccc(CNC(=O)C[N@@H+]2CCCN(C)C(=O)C2)cc1 ZINC000191083277 396415232 /nfs/dbraw/zinc/41/52/32/396415232.db2.gz KEPZYXNBWSLYHN-UHFFFAOYSA-N 1 2 305.378 0.476 10 0 DCAELO COc1ccc(CNC(=O)C[N@H+]2CCCN(C)C(=O)C2)cc1 ZINC000191083277 396415234 /nfs/dbraw/zinc/41/52/34/396415234.db2.gz KEPZYXNBWSLYHN-UHFFFAOYSA-N 1 2 305.378 0.476 10 0 DCAELO NC(=O)NC(=O)C[NH+]1CCC(O)(c2ccccc2Cl)CC1 ZINC000193160791 396445126 /nfs/dbraw/zinc/44/51/26/396445126.db2.gz XDYPVTKJNAFTGD-UHFFFAOYSA-N 1 2 311.769 0.818 10 0 DCAELO NC(=O)c1ccccc1CC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000192050839 396429061 /nfs/dbraw/zinc/42/90/61/396429061.db2.gz GZEIIFGILBRKFJ-AWEZNQCLSA-N 1 2 317.389 0.261 10 0 DCAELO Cn1c2ccc(C[N@@H+]3CCO[C@@H](C(N)=O)C3)cc2sc1=O ZINC000192621722 396432918 /nfs/dbraw/zinc/43/29/18/396432918.db2.gz XWBBXYBKHZRHKD-LLVKDONJSA-N 1 2 307.375 0.286 10 0 DCAELO Cn1c2ccc(C[N@H+]3CCO[C@@H](C(N)=O)C3)cc2sc1=O ZINC000192621722 396432921 /nfs/dbraw/zinc/43/29/21/396432921.db2.gz XWBBXYBKHZRHKD-LLVKDONJSA-N 1 2 307.375 0.286 10 0 DCAELO Cn1c2ccc(C[N@@H+]3CCO[C@H](C(N)=O)C3)cc2sc1=O ZINC000192621699 396433303 /nfs/dbraw/zinc/43/33/03/396433303.db2.gz XWBBXYBKHZRHKD-NSHDSACASA-N 1 2 307.375 0.286 10 0 DCAELO Cn1c2ccc(C[N@H+]3CCO[C@H](C(N)=O)C3)cc2sc1=O ZINC000192621699 396433305 /nfs/dbraw/zinc/43/33/05/396433305.db2.gz XWBBXYBKHZRHKD-NSHDSACASA-N 1 2 307.375 0.286 10 0 DCAELO C[C@@H]1CN(C(=O)c2cnc(Cl)cn2)C[C@H]1[NH+]1CCOCC1 ZINC000192804490 396438281 /nfs/dbraw/zinc/43/82/81/396438281.db2.gz GJKRTUJTDGJNSX-ZYHUDNBSSA-N 1 2 310.785 0.923 10 0 DCAELO CC1(C)COCC[N@@H+]1C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000193495544 396452514 /nfs/dbraw/zinc/45/25/14/396452514.db2.gz ZTVQCPLLVMJKSC-LBPRGKRZSA-N 1 2 318.373 0.754 10 0 DCAELO CC1(C)COCC[N@H+]1C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000193495544 396452517 /nfs/dbraw/zinc/45/25/17/396452517.db2.gz ZTVQCPLLVMJKSC-LBPRGKRZSA-N 1 2 318.373 0.754 10 0 DCAELO CCOC(=O)C[C@@H](C)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000581579448 396565986 /nfs/dbraw/zinc/56/59/86/396565986.db2.gz YIUCTKHFQFNUPF-SNVBAGLBSA-N 1 2 318.333 0.731 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2ncsc2Br)C1 ZINC000581567404 396566173 /nfs/dbraw/zinc/56/61/73/396566173.db2.gz ADLAOOBUOGLCSQ-ZETCQYMHSA-N 1 2 320.212 0.966 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)c2ncsc2Br)C1 ZINC000581567404 396566176 /nfs/dbraw/zinc/56/61/76/396566176.db2.gz ADLAOOBUOGLCSQ-ZETCQYMHSA-N 1 2 320.212 0.966 10 0 DCAELO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)COc1cnn(C)c1 ZINC000560740458 396624003 /nfs/dbraw/zinc/62/40/03/396624003.db2.gz ZFHKMBPMGWVXAG-QWHCGFSZSA-N 1 2 308.382 0.121 10 0 DCAELO CC[C@H](C)[C@@H](NC(=O)C[N@@H+]1CCOCC[C@H]1C)C(=O)OC ZINC000374990185 396702852 /nfs/dbraw/zinc/70/28/52/396702852.db2.gz RZWPMWBXQUNNPG-OUCADQQQSA-N 1 2 300.399 0.801 10 0 DCAELO CC[C@H](C)[C@@H](NC(=O)C[N@H+]1CCOCC[C@H]1C)C(=O)OC ZINC000374990185 396702854 /nfs/dbraw/zinc/70/28/54/396702854.db2.gz RZWPMWBXQUNNPG-OUCADQQQSA-N 1 2 300.399 0.801 10 0 DCAELO CCOC(=O)CC1(S(=O)(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000589125546 396704586 /nfs/dbraw/zinc/70/45/86/396704586.db2.gz NUBGHVWEGCURGX-UHFFFAOYSA-N 1 2 316.423 0.582 10 0 DCAELO O=C(NCc1nnnn1CC1CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000564659573 396854649 /nfs/dbraw/zinc/85/46/49/396854649.db2.gz YQXCGSXSEUXZLQ-LLVKDONJSA-N 1 2 301.354 0.158 10 0 DCAELO CC1(C)COCC[N@@H+]1CCNC(=O)N1CC[C@H](CC(N)=O)C1 ZINC000376745061 396971714 /nfs/dbraw/zinc/97/17/14/396971714.db2.gz CPXXQCLSJHCCAA-GFCCVEGCSA-N 1 2 312.414 0.004 10 0 DCAELO CC1(C)COCC[N@H+]1CCNC(=O)N1CC[C@H](CC(N)=O)C1 ZINC000376745061 396971717 /nfs/dbraw/zinc/97/17/17/396971717.db2.gz CPXXQCLSJHCCAA-GFCCVEGCSA-N 1 2 312.414 0.004 10 0 DCAELO COc1ncc(C[N@@H+]2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)c(C)n1 ZINC000377587784 397107975 /nfs/dbraw/zinc/10/79/75/397107975.db2.gz ZLNXSOUZOZCCAT-JTQLQIEISA-N 1 2 304.354 0.997 10 0 DCAELO COc1ncc(C[N@H+]2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)c(C)n1 ZINC000377587784 397107979 /nfs/dbraw/zinc/10/79/79/397107979.db2.gz ZLNXSOUZOZCCAT-JTQLQIEISA-N 1 2 304.354 0.997 10 0 DCAELO CC(=O)[C@@](C)(O)C[N@H+](C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000626142286 397088297 /nfs/dbraw/zinc/08/82/97/397088297.db2.gz BMKPMDNHTVFARP-INIZCTEOSA-N 1 2 322.361 0.668 10 0 DCAELO CC(=O)[C@@](C)(O)C[N@@H+](C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000626142286 397088299 /nfs/dbraw/zinc/08/82/99/397088299.db2.gz BMKPMDNHTVFARP-INIZCTEOSA-N 1 2 322.361 0.668 10 0 DCAELO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000366134412 397340666 /nfs/dbraw/zinc/34/06/66/397340666.db2.gz GDBVRKYDEQLUGQ-XJFOESAGSA-N 1 2 311.426 0.741 10 0 DCAELO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000366134412 397340669 /nfs/dbraw/zinc/34/06/69/397340669.db2.gz GDBVRKYDEQLUGQ-XJFOESAGSA-N 1 2 311.426 0.741 10 0 DCAELO C[C@@H](C(=O)N1CCC(C)CC1)[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000408218631 397350343 /nfs/dbraw/zinc/35/03/43/397350343.db2.gz JCVGOKPHVMALFQ-UONOGXRCSA-N 1 2 316.467 1.000 10 0 DCAELO C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000408218631 397350346 /nfs/dbraw/zinc/35/03/46/397350346.db2.gz JCVGOKPHVMALFQ-UONOGXRCSA-N 1 2 316.467 1.000 10 0 DCAELO Cn1nccc1CNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000603589158 397617235 /nfs/dbraw/zinc/61/72/35/397617235.db2.gz ZGDQVQCUCKRTBD-UHFFFAOYSA-N 1 2 303.370 0.171 10 0 DCAELO CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCN(Cc2nnc(C)[nH]2)CC1 ZINC000605422721 397664598 /nfs/dbraw/zinc/66/45/98/397664598.db2.gz QOCUCHKHNWQMNY-LBPRGKRZSA-N 1 2 322.457 0.924 10 0 DCAELO C[C@H]1C[C@H]1CNC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000605847202 397672275 /nfs/dbraw/zinc/67/22/75/397672275.db2.gz IZDPRLMKTOFDGJ-ZFWWWQNUSA-N 1 2 322.453 0.886 10 0 DCAELO Cn1cc(S(N)(=O)=O)cc1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606533150 397683333 /nfs/dbraw/zinc/68/33/33/397683333.db2.gz IEYCHRMZBZCQFZ-UHFFFAOYSA-N 1 2 319.346 0.573 10 0 DCAELO CCOCCNC(=O)C[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000369554358 286095121 /nfs/dbraw/zinc/09/51/21/286095121.db2.gz XXOLTOVHWKGQEB-OAHLLOKOSA-N 1 2 300.399 0.409 10 0 DCAELO CCOCCNC(=O)C[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000369554358 286095122 /nfs/dbraw/zinc/09/51/22/286095122.db2.gz XXOLTOVHWKGQEB-OAHLLOKOSA-N 1 2 300.399 0.409 10 0 DCAELO CN1N=C(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CCC1=O ZINC000046619248 158002010 /nfs/dbraw/zinc/00/20/10/158002010.db2.gz BCHAVMUDFTXDPW-UHFFFAOYSA-N 1 2 315.377 0.775 10 0 DCAELO CCNc1nnc(SC[C@@H](O)C[NH+]2CCOCC2)s1 ZINC000048430380 158005663 /nfs/dbraw/zinc/00/56/63/158005663.db2.gz VQXNZLHRIOKAQU-VIFPVBQESA-N 1 2 304.441 0.755 10 0 DCAELO CCCNC(=O)CNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000048067025 158005940 /nfs/dbraw/zinc/00/59/40/158005940.db2.gz KRMWSCZCRJWFIK-UHFFFAOYSA-N 1 2 319.409 0.876 10 0 DCAELO CC(C)Cn1ccnc1CNC(=O)NCC[NH+]1CCOCC1 ZINC000080564200 158081163 /nfs/dbraw/zinc/08/11/63/158081163.db2.gz LARLSSPRUIYOPK-UHFFFAOYSA-N 1 2 309.414 0.671 10 0 DCAELO Cc1cc(C)n2c(C[N@@H+]3CCN4C(=O)NC[C@H]4C3)cnc2n1 ZINC000091864699 158110740 /nfs/dbraw/zinc/11/07/40/158110740.db2.gz NQXVOCMSIJIUPL-LBPRGKRZSA-N 1 2 300.366 0.556 10 0 DCAELO Cc1cc(C)n2c(C[N@H+]3CCN4C(=O)NC[C@H]4C3)cnc2n1 ZINC000091864699 158110741 /nfs/dbraw/zinc/11/07/41/158110741.db2.gz NQXVOCMSIJIUPL-LBPRGKRZSA-N 1 2 300.366 0.556 10 0 DCAELO CCCS(=O)(=O)CC[NH+]1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000097153447 158125461 /nfs/dbraw/zinc/12/54/61/158125461.db2.gz ZRTFQFBGPIQPNI-AWEZNQCLSA-N 1 2 318.483 0.996 10 0 DCAELO CCCS(=O)(=O)CCN1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000097153447 158125464 /nfs/dbraw/zinc/12/54/64/158125464.db2.gz ZRTFQFBGPIQPNI-AWEZNQCLSA-N 1 2 318.483 0.996 10 0 DCAELO CCCS(=O)(=O)CCN1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000097153447 158125467 /nfs/dbraw/zinc/12/54/67/158125467.db2.gz ZRTFQFBGPIQPNI-AWEZNQCLSA-N 1 2 318.483 0.996 10 0 DCAELO O=C(CN1CCCC[C@H]1C[NH+]1CCOCC1)NCC(F)(F)F ZINC000109819981 158138312 /nfs/dbraw/zinc/13/83/12/158138312.db2.gz OFTCBVSSMLHASE-LBPRGKRZSA-N 1 2 323.359 0.852 10 0 DCAELO O=C(C[N@@H+]1CCCC[C@H]1CN1CCOCC1)NCC(F)(F)F ZINC000109819981 158138315 /nfs/dbraw/zinc/13/83/15/158138315.db2.gz OFTCBVSSMLHASE-LBPRGKRZSA-N 1 2 323.359 0.852 10 0 DCAELO O=C(C[N@H+]1CCCC[C@H]1CN1CCOCC1)NCC(F)(F)F ZINC000109819981 158138317 /nfs/dbraw/zinc/13/83/17/158138317.db2.gz OFTCBVSSMLHASE-LBPRGKRZSA-N 1 2 323.359 0.852 10 0 DCAELO CCS(=O)(=O)C[C@@H](C)NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000113633109 158149317 /nfs/dbraw/zinc/14/93/17/158149317.db2.gz HTZQMZVDWRRREB-CHWSQXEVSA-N 1 2 317.455 0.689 10 0 DCAELO CCS(=O)(=O)C[C@@H](C)NC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000113633109 158149318 /nfs/dbraw/zinc/14/93/18/158149318.db2.gz HTZQMZVDWRRREB-CHWSQXEVSA-N 1 2 317.455 0.689 10 0 DCAELO CC1CCC(NC(=O)C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)CC1 ZINC000116890032 158168779 /nfs/dbraw/zinc/16/87/79/158168779.db2.gz RQDMAFCDVMPZKV-WXRRBKDZSA-N 1 2 317.455 0.305 10 0 DCAELO CC1CCC(NC(=O)C[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)CC1 ZINC000116890032 158168780 /nfs/dbraw/zinc/16/87/80/158168780.db2.gz RQDMAFCDVMPZKV-WXRRBKDZSA-N 1 2 317.455 0.305 10 0 DCAELO O=C(COC[C@H]1CCOC1)NCc1cccnc1-n1cc[nH+]c1 ZINC000117752004 158173013 /nfs/dbraw/zinc/17/30/13/158173013.db2.gz FPALWXXMWWOWIP-ZDUSSCGKSA-N 1 2 316.361 0.937 10 0 DCAELO CCCCS[C@H](C)C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000119574987 158189400 /nfs/dbraw/zinc/18/94/00/158189400.db2.gz USOJIMXEGYULAD-CHWSQXEVSA-N 1 2 304.456 0.718 10 0 DCAELO COc1ccc(O)c(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000127205515 158271887 /nfs/dbraw/zinc/27/18/87/158271887.db2.gz RJIMNSCKTNHTEK-CYBMUJFWSA-N 1 2 306.362 0.994 10 0 DCAELO C[C@H](Oc1cccnc1)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000127422856 158273267 /nfs/dbraw/zinc/27/32/67/158273267.db2.gz DPJNGNSVPZWQNG-SWLSCSKDSA-N 1 2 305.378 0.828 10 0 DCAELO C[C@H](Oc1cccnc1)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000127422856 158273271 /nfs/dbraw/zinc/27/32/71/158273271.db2.gz DPJNGNSVPZWQNG-SWLSCSKDSA-N 1 2 305.378 0.828 10 0 DCAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1cccc2ncccc21 ZINC000129014156 158285341 /nfs/dbraw/zinc/28/53/41/158285341.db2.gz JVZAIGXEGRCQTR-CYBMUJFWSA-N 1 2 315.373 0.658 10 0 DCAELO C[C@@H]1CN(c2ccc(CNC(=O)N(C)CCO)c[nH+]2)C[C@H](C)O1 ZINC000129574946 158289594 /nfs/dbraw/zinc/28/95/94/158289594.db2.gz WQZSSDAUKGYPBP-BETUJISGSA-N 1 2 322.409 0.829 10 0 DCAELO Cc1nc(CCNC(=O)NC[C@H]2C[N@H+](C)CCO2)sc1C ZINC000132421747 158310561 /nfs/dbraw/zinc/31/05/61/158310561.db2.gz XPRNAGKEUAEDLY-LBPRGKRZSA-N 1 2 312.439 0.932 10 0 DCAELO Cc1nc(CCNC(=O)NC[C@H]2C[N@@H+](C)CCO2)sc1C ZINC000132421747 158310564 /nfs/dbraw/zinc/31/05/64/158310564.db2.gz XPRNAGKEUAEDLY-LBPRGKRZSA-N 1 2 312.439 0.932 10 0 DCAELO CCC(=O)N1CC[C@H](NC(=O)NCc2ccc[nH+]c2N(C)C)C1 ZINC000135078665 158333741 /nfs/dbraw/zinc/33/37/41/158333741.db2.gz AZRDVRQANXYICX-ZDUSSCGKSA-N 1 2 319.409 0.958 10 0 DCAELO Cc1nc(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)c(=O)[nH]c1C ZINC000137287837 158345656 /nfs/dbraw/zinc/34/56/56/158345656.db2.gz VYEADTFNBKTTLL-UHFFFAOYSA-N 1 2 324.344 0.897 10 0 DCAELO Cc1noc(C2CCN(C(=O)NC[C@@H]3C[N@H+](C)CCO3)CC2)n1 ZINC000170924427 158378173 /nfs/dbraw/zinc/37/81/73/158378173.db2.gz QHMORBVCJBJZSM-CYBMUJFWSA-N 1 2 323.397 0.598 10 0 DCAELO Cc1noc(C2CCN(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)CC2)n1 ZINC000170924427 158378175 /nfs/dbraw/zinc/37/81/75/158378175.db2.gz QHMORBVCJBJZSM-CYBMUJFWSA-N 1 2 323.397 0.598 10 0 DCAELO C[C@H](CNC(=O)N[C@H]1Cc2ccccc2[C@@H]1O)[NH+]1CCOCC1 ZINC000171751853 158386858 /nfs/dbraw/zinc/38/68/58/158386858.db2.gz WSWKQEJTBZVLBY-KCXAZCMYSA-N 1 2 319.405 0.665 10 0 DCAELO COc1c(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c(C)nn1C ZINC000172743003 158398781 /nfs/dbraw/zinc/39/87/81/158398781.db2.gz CNHBBBZMTVSEQX-GFCCVEGCSA-N 1 2 308.382 0.284 10 0 DCAELO Cc1nn(C)c(C)c1CC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172757173 158399973 /nfs/dbraw/zinc/39/99/73/158399973.db2.gz OALBGSNRACZZIE-CQSZACIVSA-N 1 2 306.410 0.513 10 0 DCAELO CCc1nn(C)cc1C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000180324992 158477894 /nfs/dbraw/zinc/47/78/94/158477894.db2.gz UFVNBKNGAHSIQN-SWLSCSKDSA-N 1 2 306.410 0.775 10 0 DCAELO Cc1nc(C)n(C[C@@H]2C[N@@H+]([C@@H]3CCN(C4CC4)C3=O)CCO2)n1 ZINC000328611243 159014482 /nfs/dbraw/zinc/01/44/82/159014482.db2.gz OIBIVCZDEJFYEZ-LSDHHAIUSA-N 1 2 319.409 0.359 10 0 DCAELO Cc1nc(C)n(C[C@@H]2C[N@H+]([C@@H]3CCN(C4CC4)C3=O)CCO2)n1 ZINC000328611243 159014485 /nfs/dbraw/zinc/01/44/85/159014485.db2.gz OIBIVCZDEJFYEZ-LSDHHAIUSA-N 1 2 319.409 0.359 10 0 DCAELO CN(CC(=O)N1CCOCC1)c1cc(NCC2CC2)[nH+]cn1 ZINC000328694559 159022585 /nfs/dbraw/zinc/02/25/85/159022585.db2.gz KAZFLRRBUDBWSQ-UHFFFAOYSA-N 1 2 305.382 0.594 10 0 DCAELO CN(CC(=O)N1CCOCC1)c1cc(NCC2CC2)nc[nH+]1 ZINC000328694559 159022587 /nfs/dbraw/zinc/02/25/87/159022587.db2.gz KAZFLRRBUDBWSQ-UHFFFAOYSA-N 1 2 305.382 0.594 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(S(=O)(=O)CC[C@H]3CCOC3)C[C@@H]21 ZINC000328838851 159033471 /nfs/dbraw/zinc/03/34/71/159033471.db2.gz NPEHLJYNCSPWAQ-HZSPNIEDSA-N 1 2 318.439 0.148 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(S(=O)(=O)CC[C@H]3CCOC3)C[C@@H]21 ZINC000328838851 159033472 /nfs/dbraw/zinc/03/34/72/159033472.db2.gz NPEHLJYNCSPWAQ-HZSPNIEDSA-N 1 2 318.439 0.148 10 0 DCAELO CCN(CC1CC1)S(=O)(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000328891283 159037731 /nfs/dbraw/zinc/03/77/31/159037731.db2.gz SFXFCUFORNGGPJ-KBPBESRZSA-N 1 2 317.455 0.368 10 0 DCAELO CCN(CC1CC1)S(=O)(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000328891283 159037733 /nfs/dbraw/zinc/03/77/33/159037733.db2.gz SFXFCUFORNGGPJ-KBPBESRZSA-N 1 2 317.455 0.368 10 0 DCAELO Cc1nn(C)c(C)c1CCC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000328902331 159038990 /nfs/dbraw/zinc/03/89/90/159038990.db2.gz GMIFDRURNZNTRI-JKSUJKDBSA-N 1 2 320.437 0.901 10 0 DCAELO Cc1nn(C)c(C)c1CCC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000328902331 159038991 /nfs/dbraw/zinc/03/89/91/159038991.db2.gz GMIFDRURNZNTRI-JKSUJKDBSA-N 1 2 320.437 0.901 10 0 DCAELO Cc1noc([C@@H]2C[N@H+]([C@@H]3CCN(C4CC4)C3=O)CCN2C)n1 ZINC000328961786 159046947 /nfs/dbraw/zinc/04/69/47/159046947.db2.gz QTADBGIKQGRMDZ-OLZOCXBDSA-N 1 2 305.382 0.430 10 0 DCAELO Cc1noc([C@@H]2C[N@@H+]([C@@H]3CCN(C4CC4)C3=O)CCN2C)n1 ZINC000328961786 159046949 /nfs/dbraw/zinc/04/69/49/159046949.db2.gz QTADBGIKQGRMDZ-OLZOCXBDSA-N 1 2 305.382 0.430 10 0 DCAELO CN1CC[C@H]([N@H+](C)CC(=O)N2CCO[C@H]3CCCC[C@@H]32)C1=O ZINC000329054362 159055841 /nfs/dbraw/zinc/05/58/41/159055841.db2.gz HUFPWCSCEUEJSK-IHRRRGAJSA-N 1 2 309.410 0.319 10 0 DCAELO CN1CC[C@H]([N@@H+](C)CC(=O)N2CCO[C@H]3CCCC[C@@H]32)C1=O ZINC000329054362 159055844 /nfs/dbraw/zinc/05/58/44/159055844.db2.gz HUFPWCSCEUEJSK-IHRRRGAJSA-N 1 2 309.410 0.319 10 0 DCAELO NS(=O)(=O)[C@@H]1CCC[N@H+](Cc2nc3cccnc3s2)C1 ZINC000329573605 159104133 /nfs/dbraw/zinc/10/41/33/159104133.db2.gz JKKUEXVWIPUYFR-SECBINFHSA-N 1 2 312.420 0.944 10 0 DCAELO NS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2nc3cccnc3s2)C1 ZINC000329573605 159104135 /nfs/dbraw/zinc/10/41/35/159104135.db2.gz JKKUEXVWIPUYFR-SECBINFHSA-N 1 2 312.420 0.944 10 0 DCAELO Cn1cc(C(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c([C@@H]2CCOC2)n1 ZINC000329885162 159125978 /nfs/dbraw/zinc/12/59/78/159125978.db2.gz UFBAXVSAZYKDPQ-MRVWCRGKSA-N 1 2 320.393 0.079 10 0 DCAELO Cn1cc(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c([C@@H]2CCOC2)n1 ZINC000329885162 159125979 /nfs/dbraw/zinc/12/59/79/159125979.db2.gz UFBAXVSAZYKDPQ-MRVWCRGKSA-N 1 2 320.393 0.079 10 0 DCAELO Cn1cc[nH+]c1[C@@H]1CN(Cc2nnc(C3CC3)n2C)CCN1C ZINC000329895163 159126397 /nfs/dbraw/zinc/12/63/97/159126397.db2.gz BRXVRXCIXRBLHC-ZDUSSCGKSA-N 1 2 315.425 0.915 10 0 DCAELO C[C@H](C(=O)N1CC[C@@H](Oc2ccccn2)C1)[NH+]1CCOCC1 ZINC000330067509 159139744 /nfs/dbraw/zinc/13/97/44/159139744.db2.gz UMOOKPLERUFRPL-ZIAGYGMSSA-N 1 2 305.378 0.782 10 0 DCAELO Cn1cc[nH+]c1[C@H]1CN(C(=O)NC[C@@H]2CCCO2)CCN1C ZINC000370174636 159502236 /nfs/dbraw/zinc/50/22/36/159502236.db2.gz QEOQLMGHOJAPGH-QWHCGFSZSA-N 1 2 307.398 0.597 10 0 DCAELO COCC[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@@H](C)C2)C[C@H]1C ZINC000407988075 160003285 /nfs/dbraw/zinc/00/32/85/160003285.db2.gz GBEZCVHFLMEELH-ZIAGYGMSSA-N 1 2 311.426 0.424 10 0 DCAELO COCC[N@H+]1CCN(C(=O)C(=O)N2CCC[C@@H](C)C2)C[C@H]1C ZINC000407988075 160003288 /nfs/dbraw/zinc/00/32/88/160003288.db2.gz GBEZCVHFLMEELH-ZIAGYGMSSA-N 1 2 311.426 0.424 10 0 DCAELO Cc1occc1C(=O)NCC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000408022179 160014019 /nfs/dbraw/zinc/01/40/19/160014019.db2.gz KPJALNHZOVRLAF-ZIAGYGMSSA-N 1 2 321.377 0.249 10 0 DCAELO Cc1occc1C(=O)NCC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000408022179 160014022 /nfs/dbraw/zinc/01/40/22/160014022.db2.gz KPJALNHZOVRLAF-ZIAGYGMSSA-N 1 2 321.377 0.249 10 0 DCAELO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)[C@H]2CCO[C@H](C)C2)CC1 ZINC000408191593 160056992 /nfs/dbraw/zinc/05/69/92/160056992.db2.gz HAKSGZDLCSJTCV-RDBSUJKOSA-N 1 2 320.455 0.272 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)[C@@H]2CCO[C@H](C)C2)[C@@H](C)C1 ZINC000408192717 160056997 /nfs/dbraw/zinc/05/69/97/160056997.db2.gz OKPJRRZKHFUNKT-IGQOVBAYSA-N 1 2 320.455 0.271 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)[C@@H]2CCO[C@H](C)C2)[C@@H](C)C1 ZINC000408192717 160056998 /nfs/dbraw/zinc/05/69/98/160056998.db2.gz OKPJRRZKHFUNKT-IGQOVBAYSA-N 1 2 320.455 0.271 10 0 DCAELO C[C@@H]1C[N@H+](CCCN2C(=O)NC(C)(C)C2=O)CC[S@@]1=O ZINC000408211074 160060803 /nfs/dbraw/zinc/06/08/03/160060803.db2.gz MOYDSRMRPYOIDP-SBKAZYGRSA-N 1 2 301.412 0.160 10 0 DCAELO C[C@@H]1C[N@@H+](CCCN2C(=O)NC(C)(C)C2=O)CC[S@@]1=O ZINC000408211074 160060805 /nfs/dbraw/zinc/06/08/05/160060805.db2.gz MOYDSRMRPYOIDP-SBKAZYGRSA-N 1 2 301.412 0.160 10 0 DCAELO Cc1cc[nH+]cc1N1CCN(S(=O)(=O)c2cn(C)cn2)CC1 ZINC000408230670 160065018 /nfs/dbraw/zinc/06/50/18/160065018.db2.gz CLEDLNBBRMTOMT-UHFFFAOYSA-N 1 2 321.406 0.634 10 0 DCAELO Cn1cc[nH+]c1[C@@H]1CN(C(=O)NC[C@@]2(C)CCCO2)CCN1C ZINC000408278914 160075159 /nfs/dbraw/zinc/07/51/59/160075159.db2.gz ZWKCHRBLDWUEHB-XJKSGUPXSA-N 1 2 321.425 0.987 10 0 DCAELO CN(C)C(=O)c1ccc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)cc1 ZINC000408290077 160077356 /nfs/dbraw/zinc/07/73/56/160077356.db2.gz MENJYIFUDWRGFD-CABCVRRESA-N 1 2 317.389 0.543 10 0 DCAELO CN(C)C(=O)c1ccc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)cc1 ZINC000408290077 160077357 /nfs/dbraw/zinc/07/73/57/160077357.db2.gz MENJYIFUDWRGFD-CABCVRRESA-N 1 2 317.389 0.543 10 0 DCAELO O=C(NC1CCN(c2cccc[nH+]2)CC1)C1(O)CCOCC1 ZINC000408313555 160083436 /nfs/dbraw/zinc/08/34/36/160083436.db2.gz KEVISMDZHQQCMS-UHFFFAOYSA-N 1 2 305.378 0.708 10 0 DCAELO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)NC2CCCC2)CC1 ZINC000408379054 160095335 /nfs/dbraw/zinc/09/53/35/160095335.db2.gz IOHLKPGETQUQFK-CYBMUJFWSA-N 1 2 305.444 0.152 10 0 DCAELO CCN(CC)S(=O)(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000408385052 160096878 /nfs/dbraw/zinc/09/68/78/160096878.db2.gz IFMLWMVROPPQOH-GFCCVEGCSA-N 1 2 315.443 0.295 10 0 DCAELO CC(C)N(C)C(=O)C[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000408401090 160101326 /nfs/dbraw/zinc/10/13/26/160101326.db2.gz AYYJLSIMGUYDAG-ZDUSSCGKSA-N 1 2 317.455 0.353 10 0 DCAELO CC(C)N(C)C(=O)C[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000408401090 160101329 /nfs/dbraw/zinc/10/13/29/160101329.db2.gz AYYJLSIMGUYDAG-ZDUSSCGKSA-N 1 2 317.455 0.353 10 0 DCAELO CCC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)CCO1 ZINC000131932725 287002865 /nfs/dbraw/zinc/00/28/65/287002865.db2.gz MNPMYVTZODKGTJ-GXTWGEPZSA-N 1 2 311.426 0.613 10 0 DCAELO CCC[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)CCO1 ZINC000131932725 287002867 /nfs/dbraw/zinc/00/28/67/287002867.db2.gz MNPMYVTZODKGTJ-GXTWGEPZSA-N 1 2 311.426 0.613 10 0 DCAELO O=C(CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)N1CCCC1 ZINC000177377913 287054961 /nfs/dbraw/zinc/05/49/61/287054961.db2.gz HQJXQDFKBGCRPN-CYBMUJFWSA-N 1 2 305.382 0.680 10 0 DCAELO Cc1nc(SCC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)n[nH]1 ZINC000245443048 287069202 /nfs/dbraw/zinc/06/92/02/287069202.db2.gz WVVZXLXXYKDVCL-UWVGGRQHSA-N 1 2 313.427 0.119 10 0 DCAELO Cc1nc(SCC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)n[nH]1 ZINC000245443048 287069207 /nfs/dbraw/zinc/06/92/07/287069207.db2.gz WVVZXLXXYKDVCL-UWVGGRQHSA-N 1 2 313.427 0.119 10 0 DCAELO Cc1nnc(SCC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)[nH]1 ZINC000245443048 287069210 /nfs/dbraw/zinc/06/92/10/287069210.db2.gz WVVZXLXXYKDVCL-UWVGGRQHSA-N 1 2 313.427 0.119 10 0 DCAELO Cc1nnc(SCC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)[nH]1 ZINC000245443048 287069212 /nfs/dbraw/zinc/06/92/12/287069212.db2.gz WVVZXLXXYKDVCL-UWVGGRQHSA-N 1 2 313.427 0.119 10 0 DCAELO CCCNC(=O)NC(=O)C[N@@H+]1CCN(CC(F)F)[C@@H](CC)C1 ZINC000245775117 287072873 /nfs/dbraw/zinc/07/28/73/287072873.db2.gz TVIHGCWKEJGLRZ-NSHDSACASA-N 1 2 320.384 0.884 10 0 DCAELO CCCNC(=O)NC(=O)C[N@H+]1CCN(CC(F)F)[C@@H](CC)C1 ZINC000245775117 287072875 /nfs/dbraw/zinc/07/28/75/287072875.db2.gz TVIHGCWKEJGLRZ-NSHDSACASA-N 1 2 320.384 0.884 10 0 DCAELO CC(C)COC[C@H](O)CNc1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000247292836 287092713 /nfs/dbraw/zinc/09/27/13/287092713.db2.gz HJPXCSDDPUOQLI-UONOGXRCSA-N 1 2 324.425 0.883 10 0 DCAELO CC(C)COC[C@H](O)CNc1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000247292836 287092715 /nfs/dbraw/zinc/09/27/15/287092715.db2.gz HJPXCSDDPUOQLI-UONOGXRCSA-N 1 2 324.425 0.883 10 0 DCAELO COCC[N@@H+]1CCN(S(=O)(=O)N2CCC[C@@H](C)C2)C[C@@H]1C ZINC000247274192 287092399 /nfs/dbraw/zinc/09/23/99/287092399.db2.gz ZQOYUKGENOTKGW-KGLIPLIRSA-N 1 2 319.471 0.616 10 0 DCAELO COCC[N@H+]1CCN(S(=O)(=O)N2CCC[C@@H](C)C2)C[C@@H]1C ZINC000247274192 287092400 /nfs/dbraw/zinc/09/24/00/287092400.db2.gz ZQOYUKGENOTKGW-KGLIPLIRSA-N 1 2 319.471 0.616 10 0 DCAELO CCn1c(N)c(C(=O)C[N@@H+]2CC[C@@H](C)[C@@H](OC)C2)c(=O)[nH]c1=O ZINC000253586653 287121405 /nfs/dbraw/zinc/12/14/05/287121405.db2.gz OUBJNIPKRMHLHH-KOLCDFICSA-N 1 2 324.381 0.091 10 0 DCAELO CCn1c(N)c(C(=O)C[N@H+]2CC[C@@H](C)[C@@H](OC)C2)c(=O)[nH]c1=O ZINC000253586653 287121407 /nfs/dbraw/zinc/12/14/07/287121407.db2.gz OUBJNIPKRMHLHH-KOLCDFICSA-N 1 2 324.381 0.091 10 0 DCAELO COC(=O)c1cc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)no1 ZINC000408061000 287233126 /nfs/dbraw/zinc/23/31/26/287233126.db2.gz VFRVVPRYRPWIHD-MNOVXSKESA-N 1 2 309.322 0.006 10 0 DCAELO COC(=O)c1cc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)no1 ZINC000408061000 287233128 /nfs/dbraw/zinc/23/31/28/287233128.db2.gz VFRVVPRYRPWIHD-MNOVXSKESA-N 1 2 309.322 0.006 10 0 DCAELO NC(=O)[C@@]1(O)CC[N@H+](Cc2ncccc2Br)C1 ZINC000383427680 685242819 /nfs/dbraw/zinc/24/28/19/685242819.db2.gz BKFIFOCFZYILLJ-LLVKDONJSA-N 1 2 300.156 0.266 10 0 DCAELO NC(=O)[C@@]1(O)CC[N@@H+](Cc2ncccc2Br)C1 ZINC000383427680 685242823 /nfs/dbraw/zinc/24/28/23/685242823.db2.gz BKFIFOCFZYILLJ-LLVKDONJSA-N 1 2 300.156 0.266 10 0 DCAELO C[NH+](C)CCn1ccnc1NS(=O)(=O)c1ccc(N)cc1 ZINC000033866252 415186958 /nfs/dbraw/zinc/18/69/58/415186958.db2.gz POYHLULQLFYWOX-UHFFFAOYSA-N 1 2 309.395 0.828 10 0 DCAELO C[C@@H](C(=O)NCc1[nH+]ccn1C)N1C(=O)c2ccccc2C1=O ZINC000041539224 415202902 /nfs/dbraw/zinc/20/29/02/415202902.db2.gz RNCIAEFIFOFVNJ-JTQLQIEISA-N 1 2 312.329 0.721 10 0 DCAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)C2(C)COC2)CC1 ZINC000273120497 415319863 /nfs/dbraw/zinc/31/98/63/415319863.db2.gz XXWNAHXUTTVGPB-UHFFFAOYSA-N 1 2 306.410 0.718 10 0 DCAELO CNC(=O)NC(=O)CN1CCC[C@@H]1c1[nH+]c2c(n1C)CCCC2 ZINC000275988520 415406410 /nfs/dbraw/zinc/40/64/10/415406410.db2.gz ORPJEGSDJPYMCT-CYBMUJFWSA-N 1 2 319.409 0.891 10 0 DCAELO C[C@H]1CC[C@H](NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000332674930 415435491 /nfs/dbraw/zinc/43/54/91/415435491.db2.gz BLDRYSWEVVYICQ-KBPBESRZSA-N 1 2 321.425 1.525 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(S(=O)(=O)CCOCC3CC3)C[C@@H]21 ZINC000333470239 415659081 /nfs/dbraw/zinc/65/90/81/415659081.db2.gz NLAPPWYTPITIOQ-UONOGXRCSA-N 1 2 318.439 0.148 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(S(=O)(=O)CCOCC3CC3)C[C@@H]21 ZINC000333470239 415659090 /nfs/dbraw/zinc/65/90/90/415659090.db2.gz NLAPPWYTPITIOQ-UONOGXRCSA-N 1 2 318.439 0.148 10 0 DCAELO C[C@@H]1C[C@H](S(=O)(=O)NCC[N@@H+]2CCOCC2(C)C)CCO1 ZINC000333492953 415666761 /nfs/dbraw/zinc/66/67/61/415666761.db2.gz ZRSNIHJSCCYPHX-CHWSQXEVSA-N 1 2 320.455 0.584 10 0 DCAELO C[C@@H]1C[C@H](S(=O)(=O)NCC[N@H+]2CCOCC2(C)C)CCO1 ZINC000333492953 415666766 /nfs/dbraw/zinc/66/67/66/415666766.db2.gz ZRSNIHJSCCYPHX-CHWSQXEVSA-N 1 2 320.455 0.584 10 0 DCAELO CC(C)(CNc1cncc(C(N)=O)n1)[NH+]1CCS(=O)CC1 ZINC000333718333 415721706 /nfs/dbraw/zinc/72/17/06/415721706.db2.gz NMAQPRFBQBGIBM-UHFFFAOYSA-N 1 2 311.411 0.615 10 0 DCAELO CN(C)S(=O)(=O)C[C@H](NCc1[nH+]ccn1C)C(F)(F)F ZINC000336834313 415826966 /nfs/dbraw/zinc/82/69/66/415826966.db2.gz HUCMUVCADKDGHK-QMMMGPOBSA-N 1 2 314.333 0.332 10 0 DCAELO CCN(CC)C(=O)CCC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000154926527 415990853 /nfs/dbraw/zinc/99/08/53/415990853.db2.gz PGQZMAIUKIHICV-CQSZACIVSA-N 1 2 311.426 0.614 10 0 DCAELO CCN(CC)C(=O)CCC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000154926527 415990855 /nfs/dbraw/zinc/99/08/55/415990855.db2.gz PGQZMAIUKIHICV-CQSZACIVSA-N 1 2 311.426 0.614 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)NCCCO)nc[nH+]1 ZINC000173422196 416059210 /nfs/dbraw/zinc/05/92/10/416059210.db2.gz RZLSTYOJZNFQQI-LLVKDONJSA-N 1 2 308.386 0.169 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)NCCCO)[nH+]cn1 ZINC000173422196 416059213 /nfs/dbraw/zinc/05/92/13/416059213.db2.gz RZLSTYOJZNFQQI-LLVKDONJSA-N 1 2 308.386 0.169 10 0 DCAELO CNC(=O)c1cccc(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000173763035 416063382 /nfs/dbraw/zinc/06/33/82/416063382.db2.gz RIUMKLSMWLUHFZ-HNNXBMFYSA-N 1 2 317.389 0.639 10 0 DCAELO CNC(=O)c1cccc(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000173763035 416063387 /nfs/dbraw/zinc/06/33/87/416063387.db2.gz RIUMKLSMWLUHFZ-HNNXBMFYSA-N 1 2 317.389 0.639 10 0 DCAELO COc1cc(CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)ccn1 ZINC000173773077 416065552 /nfs/dbraw/zinc/06/55/52/416065552.db2.gz MIFMJGVCADRVNM-CQSZACIVSA-N 1 2 320.393 0.706 10 0 DCAELO O=S(=O)(CC[N@@H+]1CC[C@@H](N2CCOCC2)C1)c1ccccc1 ZINC000173934402 416070445 /nfs/dbraw/zinc/07/04/45/416070445.db2.gz MATIIGDKXPEDFW-OAHLLOKOSA-N 1 2 324.446 0.867 10 0 DCAELO O=S(=O)(CC[N@H+]1CC[C@@H](N2CCOCC2)C1)c1ccccc1 ZINC000173934402 416070448 /nfs/dbraw/zinc/07/04/48/416070448.db2.gz MATIIGDKXPEDFW-OAHLLOKOSA-N 1 2 324.446 0.867 10 0 DCAELO Cn1c(CN2CC[NH+](CC(N)=O)CC2)nnc1-c1ccccc1 ZINC000171633723 416040559 /nfs/dbraw/zinc/04/05/59/416040559.db2.gz ZKBUYJDHZMTVFE-UHFFFAOYSA-N 1 2 314.393 0.085 10 0 DCAELO CCS(=O)(=O)C[C@H](C)NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000174907534 416089839 /nfs/dbraw/zinc/08/98/39/416089839.db2.gz LUKAXOUMXHEXCQ-QWHCGFSZSA-N 1 2 315.439 0.465 10 0 DCAELO O=C(CCc1nnc[nH]1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000175877927 416115781 /nfs/dbraw/zinc/11/57/81/416115781.db2.gz KBBXYKAYCKIVFR-CYBMUJFWSA-N 1 2 307.398 0.451 10 0 DCAELO O=C(CCc1nc[nH]n1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000175877927 416115785 /nfs/dbraw/zinc/11/57/85/416115785.db2.gz KBBXYKAYCKIVFR-CYBMUJFWSA-N 1 2 307.398 0.451 10 0 DCAELO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)C[C@H](O)CN1CCCC1=O ZINC000177046483 416139711 /nfs/dbraw/zinc/13/97/11/416139711.db2.gz OLDQBWBLKUUDQD-RYUDHWBXSA-N 1 2 300.399 0.632 10 0 DCAELO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)C[C@H](O)CN1CCCC1=O ZINC000177046483 416139713 /nfs/dbraw/zinc/13/97/13/416139713.db2.gz OLDQBWBLKUUDQD-RYUDHWBXSA-N 1 2 300.399 0.632 10 0 DCAELO CNC(=O)Cc1nc(C[NH+](CCOC)CCOC)cs1 ZINC000177548586 416147848 /nfs/dbraw/zinc/14/78/48/416147848.db2.gz MGDVQIAAYDGSNP-UHFFFAOYSA-N 1 2 301.412 0.526 10 0 DCAELO CCOC(=O)NCC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000178634242 416167511 /nfs/dbraw/zinc/16/75/11/416167511.db2.gz GJYUJRIIBIDVOG-GFCCVEGCSA-N 1 2 308.382 0.947 10 0 DCAELO Cc1ccc(NC(=O)C(=O)NC[C@H]2C[NH+]3CCN2CC3)c(C)c1 ZINC000178956952 416178893 /nfs/dbraw/zinc/17/88/93/416178893.db2.gz ZAGKSUHWZUAFNR-AWEZNQCLSA-N 1 2 316.405 0.358 10 0 DCAELO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000329681550 416184053 /nfs/dbraw/zinc/18/40/53/416184053.db2.gz YJMJKFUBJUVCNZ-JHJVBQTASA-N 1 2 300.424 0.506 10 0 DCAELO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000329681550 416184056 /nfs/dbraw/zinc/18/40/56/416184056.db2.gz YJMJKFUBJUVCNZ-JHJVBQTASA-N 1 2 300.424 0.506 10 0 DCAELO CC(C)[C@@H]([NH2+]C[C@@H](O)CN1CCCC1=O)C(=O)OC(C)(C)C ZINC000180044345 416193501 /nfs/dbraw/zinc/19/35/01/416193501.db2.gz BUBFWWDWGJBLEE-TZMCWYRMSA-N 1 2 314.426 0.926 10 0 DCAELO CCc1nn(C)cc1C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000180325011 416196268 /nfs/dbraw/zinc/19/62/68/416196268.db2.gz UFVNBKNGAHSIQN-IUODEOHRSA-N 1 2 306.410 0.775 10 0 DCAELO CC1=CC[N@H+](CCNC(=O)N[C@@H](C)CS(C)(=O)=O)CC1 ZINC000358188688 416206795 /nfs/dbraw/zinc/20/67/95/416206795.db2.gz LLLBJRAZQNTVQZ-LBPRGKRZSA-N 1 2 303.428 0.371 10 0 DCAELO CC1=CC[N@@H+](CCNC(=O)N[C@@H](C)CS(C)(=O)=O)CC1 ZINC000358188688 416206801 /nfs/dbraw/zinc/20/68/01/416206801.db2.gz LLLBJRAZQNTVQZ-LBPRGKRZSA-N 1 2 303.428 0.371 10 0 DCAELO COc1ccccc1C(=O)C(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000183952613 416250865 /nfs/dbraw/zinc/25/08/65/416250865.db2.gz QEQJACFEESHQMB-QWHCGFSZSA-N 1 2 320.389 0.791 10 0 DCAELO COc1ccccc1C(=O)C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000183952613 416250870 /nfs/dbraw/zinc/25/08/70/416250870.db2.gz QEQJACFEESHQMB-QWHCGFSZSA-N 1 2 320.389 0.791 10 0 DCAELO O=C(Nc1nc(-c2ccccn2)n[nH]1)c1n[nH]c2c1C[NH2+]CC2 ZINC000188858456 416264776 /nfs/dbraw/zinc/26/47/76/416264776.db2.gz APMIZXNNTDLINK-UHFFFAOYSA-N 1 2 310.321 0.488 10 0 DCAELO C[C@H](CO)N(C[C@H](C)O)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000190278025 416278431 /nfs/dbraw/zinc/27/84/31/416278431.db2.gz JKUXDAFXJXYLSO-NEPJUHHUSA-N 1 2 310.398 0.421 10 0 DCAELO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(F)c2)CC[N@@H+]1CCO ZINC000190043187 416273057 /nfs/dbraw/zinc/27/30/57/416273057.db2.gz SAWCKEPXWMQNDZ-LLVKDONJSA-N 1 2 309.341 0.289 10 0 DCAELO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(F)c2)CC[N@H+]1CCO ZINC000190043187 416273060 /nfs/dbraw/zinc/27/30/60/416273060.db2.gz SAWCKEPXWMQNDZ-LLVKDONJSA-N 1 2 309.341 0.289 10 0 DCAELO Cc1cccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1F ZINC000190027342 416274405 /nfs/dbraw/zinc/27/44/05/416274405.db2.gz LUPYXVITXPYCLX-GFCCVEGCSA-N 1 2 323.368 0.598 10 0 DCAELO Cc1cccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1F ZINC000190027342 416274408 /nfs/dbraw/zinc/27/44/08/416274408.db2.gz LUPYXVITXPYCLX-GFCCVEGCSA-N 1 2 323.368 0.598 10 0 DCAELO CCc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1 ZINC000190027950 416274684 /nfs/dbraw/zinc/27/46/84/416274684.db2.gz MJAIGRXEFBDOID-CYBMUJFWSA-N 1 2 319.405 0.713 10 0 DCAELO CCc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1 ZINC000190027950 416274688 /nfs/dbraw/zinc/27/46/88/416274688.db2.gz MJAIGRXEFBDOID-CYBMUJFWSA-N 1 2 319.405 0.713 10 0 DCAELO C[C@H](O)C[NH+]1CCN(C(=O)c2snnc2C(C)(C)C)CC1 ZINC000191971520 416293734 /nfs/dbraw/zinc/29/37/34/416293734.db2.gz LCIIKAVTEMFVQF-JTQLQIEISA-N 1 2 312.439 0.974 10 0 DCAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H](C)C(=O)NC(C)(C)C ZINC000248653259 416333599 /nfs/dbraw/zinc/33/35/99/416333599.db2.gz YQOHVBHCVZVWPK-CHWSQXEVSA-N 1 2 313.442 0.907 10 0 DCAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@H](C)C(=O)NC(C)(C)C ZINC000248653259 416333600 /nfs/dbraw/zinc/33/36/00/416333600.db2.gz YQOHVBHCVZVWPK-CHWSQXEVSA-N 1 2 313.442 0.907 10 0 DCAELO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCC12CCC2 ZINC000359688140 416353062 /nfs/dbraw/zinc/35/30/62/416353062.db2.gz NYKNHUPUYIPJIJ-ZDUSSCGKSA-N 1 2 314.389 0.932 10 0 DCAELO CC(C)(C)n1ncnc1C[N@@H+]1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000583617994 416477131 /nfs/dbraw/zinc/47/71/31/416477131.db2.gz QXBIFXLVVFXRMR-CQSZACIVSA-N 1 2 305.386 0.635 10 0 DCAELO CC(C)(C)n1ncnc1C[N@H+]1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000583617994 416477136 /nfs/dbraw/zinc/47/71/36/416477136.db2.gz QXBIFXLVVFXRMR-CQSZACIVSA-N 1 2 305.386 0.635 10 0 DCAELO C[C@H]1CN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC(=O)N1C ZINC000368521611 416664112 /nfs/dbraw/zinc/66/41/12/416664112.db2.gz HEKLVUJKSYMAPA-STQMWFEESA-N 1 2 317.393 0.532 10 0 DCAELO CSC[C@@H](CCO)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000557383850 416733316 /nfs/dbraw/zinc/73/33/16/416733316.db2.gz XIRJRPLKBCHZJJ-LLVKDONJSA-N 1 2 322.390 0.503 10 0 DCAELO CC(C)(C)n1cnc(NC(=O)c2ccc(-n3cc[nH+]c3)nn2)n1 ZINC000558282919 416763036 /nfs/dbraw/zinc/76/30/36/416763036.db2.gz IKYTZTHHHZHSJM-UHFFFAOYSA-N 1 2 312.337 1.261 10 0 DCAELO CCO[C@H]1C[C@]([NH2+]CCN2CCOCC2)(C(=O)OC)C1(C)C ZINC000444749485 416863618 /nfs/dbraw/zinc/86/36/18/416863618.db2.gz WGYCDPQUQPLGHP-BBRMVZONSA-N 1 2 314.426 0.655 10 0 DCAELO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CCN1CCCS1(=O)=O ZINC000615628560 416875131 /nfs/dbraw/zinc/87/51/31/416875131.db2.gz BEJVRYLBDJFIDY-AGIUHOORSA-N 1 2 316.423 0.295 10 0 DCAELO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CCN1CCCS1(=O)=O ZINC000615628560 416875136 /nfs/dbraw/zinc/87/51/36/416875136.db2.gz BEJVRYLBDJFIDY-AGIUHOORSA-N 1 2 316.423 0.295 10 0 DCAELO Cc1cc(C(=O)N2CC[NH+]([C@H]3CCCCNC3=O)CC2)n(C)n1 ZINC000370068368 416879968 /nfs/dbraw/zinc/87/99/68/416879968.db2.gz XKXBWLZTJMNTMW-ZDUSSCGKSA-N 1 2 319.409 0.155 10 0 DCAELO C[C@@H]1CCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)[C@@H]1CO ZINC000565401154 416973936 /nfs/dbraw/zinc/97/39/36/416973936.db2.gz JIFOZPIXBHUMDA-ZYHUDNBSSA-N 1 2 302.334 0.502 10 0 DCAELO CCOC(=O)c1cccc([C@@H]2CN(S(N)(=O)=O)CC[NH2+]2)c1 ZINC000616635806 417086292 /nfs/dbraw/zinc/08/62/92/417086292.db2.gz SLFRBQQMHONJOP-LBPRGKRZSA-N 1 2 313.379 0.013 10 0 DCAELO COC(=O)[C@@H]1CC[N@H+](CCNC(=O)OC(C)(C)C)CCO1 ZINC000616665440 417090737 /nfs/dbraw/zinc/09/07/37/417090737.db2.gz IUTSGUWUXXIVBA-NSHDSACASA-N 1 2 302.371 0.775 10 0 DCAELO COC(=O)[C@@H]1CC[N@@H+](CCNC(=O)OC(C)(C)C)CCO1 ZINC000616665440 417090744 /nfs/dbraw/zinc/09/07/44/417090744.db2.gz IUTSGUWUXXIVBA-NSHDSACASA-N 1 2 302.371 0.775 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2nscc2Br)C1 ZINC000404846929 417120297 /nfs/dbraw/zinc/12/02/97/417120297.db2.gz DXTMEWOIVMFPEK-ZETCQYMHSA-N 1 2 320.212 0.966 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)c2nscc2Br)C1 ZINC000404846929 417120303 /nfs/dbraw/zinc/12/03/03/417120303.db2.gz DXTMEWOIVMFPEK-ZETCQYMHSA-N 1 2 320.212 0.966 10 0 DCAELO Cc1c([C@H]2[C@H]([NH2+]Cc3csnn3)CC(=O)N2C)cnn1C ZINC000433592803 417280249 /nfs/dbraw/zinc/28/02/49/417280249.db2.gz IAEUVVBAVMMBSI-YPMHNXCESA-N 1 2 306.395 0.642 10 0 DCAELO C[C@@H](O)CC[N@@H+]1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000450581304 417238187 /nfs/dbraw/zinc/23/81/87/417238187.db2.gz DXBCICWFFKFBNP-CHWSQXEVSA-N 1 2 318.373 0.754 10 0 DCAELO C[C@@H](O)CC[N@H+]1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000450581304 417238192 /nfs/dbraw/zinc/23/81/92/417238192.db2.gz DXBCICWFFKFBNP-CHWSQXEVSA-N 1 2 318.373 0.754 10 0 DCAELO C[C@H](NC(=O)C[N@@H+]1CCOCC[C@@H]1C)C(=O)N1CCCCC1 ZINC000367662225 299053605 /nfs/dbraw/zinc/05/36/05/299053605.db2.gz NRYAWTVPHWJARA-KBPBESRZSA-N 1 2 311.426 0.614 10 0 DCAELO C[C@H](NC(=O)C[N@H+]1CCOCC[C@@H]1C)C(=O)N1CCCCC1 ZINC000367662225 299053612 /nfs/dbraw/zinc/05/36/12/299053612.db2.gz NRYAWTVPHWJARA-KBPBESRZSA-N 1 2 311.426 0.614 10 0 DCAELO CCOC(=O)[C@H]1CN(C(=O)Nc2cc[nH+]c(C)c2)CC12COC2 ZINC000455042191 417591856 /nfs/dbraw/zinc/59/18/56/417591856.db2.gz OIEZDFKDEGFMOL-CYBMUJFWSA-N 1 2 319.361 0.855 10 0 DCAELO COC(=O)c1cnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)nc1 ZINC000576950047 417650472 /nfs/dbraw/zinc/65/04/72/417650472.db2.gz BONCSUZRBUDHLE-AAEUAGOBSA-N 1 2 306.366 0.420 10 0 DCAELO C[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(Br)cn1 ZINC000628922937 417728248 /nfs/dbraw/zinc/72/82/48/417728248.db2.gz QMGDAVHADBWCTP-SNVBAGLBSA-N 1 2 314.183 0.905 10 0 DCAELO C[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(Br)cn1 ZINC000628922937 417728251 /nfs/dbraw/zinc/72/82/51/417728251.db2.gz QMGDAVHADBWCTP-SNVBAGLBSA-N 1 2 314.183 0.905 10 0 DCAELO Cn1ncc(Br)c1C[NH2+]Cc1ccc(C(N)=O)nc1 ZINC000487308729 287534224 /nfs/dbraw/zinc/53/42/24/287534224.db2.gz MKSZXRBNTQZSAC-UHFFFAOYSA-N 1 2 324.182 0.966 10 0 DCAELO COCCN1C(=O)N[C@@H]2C[N@@H+](Cc3nc(C)c(C)o3)CC[C@@H]21 ZINC000299744212 229383446 /nfs/dbraw/zinc/38/34/46/229383446.db2.gz NXRSBYNOJKBIOT-OLZOCXBDSA-N 1 2 308.382 0.906 10 0 DCAELO COCCN1C(=O)N[C@@H]2C[N@H+](Cc3nc(C)c(C)o3)CC[C@@H]21 ZINC000299744212 229383450 /nfs/dbraw/zinc/38/34/50/229383450.db2.gz NXRSBYNOJKBIOT-OLZOCXBDSA-N 1 2 308.382 0.906 10 0 DCAELO Cn1cc[nH+]c1-c1cccc(NC(=O)CN2CC(=O)NC2=O)c1 ZINC000111572510 261108781 /nfs/dbraw/zinc/10/87/81/261108781.db2.gz JLHBIHJLKIJWLB-UHFFFAOYSA-N 1 2 313.317 0.577 10 0 DCAELO CC(C)(C)c1nnsc1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000191459888 261137045 /nfs/dbraw/zinc/13/70/45/261137045.db2.gz LFBVJJHAKXEXKM-JTQLQIEISA-N 1 2 309.439 0.565 10 0 DCAELO NC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CCO[C@H]3CCCC[C@H]32)C1 ZINC000363018102 262094432 /nfs/dbraw/zinc/09/44/32/262094432.db2.gz XOHLNKOSXGYAAE-MCIONIFRSA-N 1 2 309.410 0.354 10 0 DCAELO NC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CCO[C@H]3CCCC[C@H]32)C1 ZINC000363018102 262094433 /nfs/dbraw/zinc/09/44/33/262094433.db2.gz XOHLNKOSXGYAAE-MCIONIFRSA-N 1 2 309.410 0.354 10 0 DCAELO COc1ccc(CC(=O)N2CCN(C)[C@H](c3[nH]cc[nH+]3)C2)nc1 ZINC000363750057 262129280 /nfs/dbraw/zinc/12/92/80/262129280.db2.gz JHSFTSHDMHVSLW-AWEZNQCLSA-N 1 2 315.377 0.871 10 0 DCAELO COC(=O)[C@@H](C1CC1)[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000359610276 271132125 /nfs/dbraw/zinc/13/21/25/271132125.db2.gz MMKOWSLYAARYDB-CMPLNLGQSA-N 1 2 304.412 0.199 10 0 DCAELO COC(=O)[C@@H](C1CC1)[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000359610276 271132128 /nfs/dbraw/zinc/13/21/28/271132128.db2.gz MMKOWSLYAARYDB-CMPLNLGQSA-N 1 2 304.412 0.199 10 0 DCAELO CCOC(=O)[C@@H]1C[N@H+](Cc2cc(COC)on2)CC12COC2 ZINC000459562244 272001177 /nfs/dbraw/zinc/00/11/77/272001177.db2.gz FQFNJPPGMFZSMZ-ZDUSSCGKSA-N 1 2 310.350 0.833 10 0 DCAELO CCOC(=O)[C@@H]1C[N@@H+](Cc2cc(COC)on2)CC12COC2 ZINC000459562244 272001180 /nfs/dbraw/zinc/00/11/80/272001180.db2.gz FQFNJPPGMFZSMZ-ZDUSSCGKSA-N 1 2 310.350 0.833 10 0 DCAELO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)C1 ZINC000364744751 277044003 /nfs/dbraw/zinc/04/40/03/277044003.db2.gz KTBBSDYTZDDPFL-OWCLPIDISA-N 1 2 323.437 0.757 10 0 DCAELO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)C1 ZINC000364744751 277044005 /nfs/dbraw/zinc/04/40/05/277044005.db2.gz KTBBSDYTZDDPFL-OWCLPIDISA-N 1 2 323.437 0.757 10 0 DCAELO CC(=O)N[C@H](C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)C1CCCC1 ZINC000172766484 278156994 /nfs/dbraw/zinc/15/69/94/278156994.db2.gz XLFXZTXVESMUIK-HOTGVXAUSA-N 1 2 323.437 0.614 10 0 DCAELO Cn1cc[nH+]c1[C@H](NC(=O)N1CC(=O)N(C)C1)c1ccccc1 ZINC000546616556 288022069 /nfs/dbraw/zinc/02/20/69/288022069.db2.gz ZPTMKYSQELYJJW-CQSZACIVSA-N 1 2 313.361 0.951 10 0 DCAELO CCO[C@@H]1C[C@@](NC(=O)Cc2c[nH+]cn2C)(C(=O)OC)C1(C)C ZINC000547728974 288073316 /nfs/dbraw/zinc/07/33/16/288073316.db2.gz MICVPVXPTLALSS-MLGOLLRUSA-N 1 2 323.393 0.826 10 0 DCAELO CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c[nH]cc(C)c3=O)C2)CC1 ZINC000408168426 279368866 /nfs/dbraw/zinc/36/88/66/279368866.db2.gz IYZWYMHLZFVGHJ-CQSZACIVSA-N 1 2 318.421 0.535 10 0 DCAELO O=C(c1ccc2c(c1)NC(=O)C2)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000187697127 280196285 /nfs/dbraw/zinc/19/62/85/280196285.db2.gz PADOKYVAXIJAJD-AWEZNQCLSA-N 1 2 315.373 0.728 10 0 DCAELO CC1(C)C[S@](=O)CC[N@@H+]1C[C@@H](O)COC[C@@H]1CCCO1 ZINC000551985876 288255207 /nfs/dbraw/zinc/25/52/07/288255207.db2.gz ORFHMHVGPFXSRR-MTJIALIYSA-N 1 2 305.440 0.386 10 0 DCAELO CC1(C)C[S@](=O)CC[N@H+]1C[C@@H](O)COC[C@@H]1CCCO1 ZINC000551985876 288255208 /nfs/dbraw/zinc/25/52/08/288255208.db2.gz ORFHMHVGPFXSRR-MTJIALIYSA-N 1 2 305.440 0.386 10 0 DCAELO COCC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000552723486 288279655 /nfs/dbraw/zinc/27/96/55/288279655.db2.gz LUZCVCAGRNKAQV-OAHLLOKOSA-N 1 2 320.349 0.177 10 0 DCAELO CN1CCC[C@H](NC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1=O ZINC000552741969 288279999 /nfs/dbraw/zinc/27/99/99/288279999.db2.gz KFPQIXREAHLGTB-NSHDSACASA-N 1 2 315.333 0.010 10 0 DCAELO C[C@@H](O)C[C@@H](C)CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000553082625 288286210 /nfs/dbraw/zinc/28/62/10/288286210.db2.gz JOLAPDUUCPENMZ-GHMZBOCLSA-N 1 2 304.350 0.796 10 0 DCAELO C[C@@H]1C[NH+]=C(N2CCN(C(=O)[C@@H]3CCCCC(=O)N3)CC2)S1 ZINC000194200584 288315185 /nfs/dbraw/zinc/31/51/85/288315185.db2.gz COQBVFJWNJUGKB-NEPJUHHUSA-N 1 2 324.450 0.681 10 0 DCAELO Cn1nnnc1C[N@H+](C)CCC(=O)N1CCOc2ccccc21 ZINC000556763099 288391878 /nfs/dbraw/zinc/39/18/78/288391878.db2.gz RIAJMCXTFTXREL-UHFFFAOYSA-N 1 2 316.365 0.458 10 0 DCAELO Cn1nnnc1C[N@@H+](C)CCC(=O)N1CCOc2ccccc21 ZINC000556763099 288391879 /nfs/dbraw/zinc/39/18/79/288391879.db2.gz RIAJMCXTFTXREL-UHFFFAOYSA-N 1 2 316.365 0.458 10 0 DCAELO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1CCc2nncn2C1 ZINC000329101086 289047107 /nfs/dbraw/zinc/04/71/07/289047107.db2.gz DWTQTIARIAKPEC-MGPQQGTHSA-N 1 2 319.409 0.162 10 0 DCAELO C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173941956 298147907 /nfs/dbraw/zinc/14/79/07/298147907.db2.gz UZTAUMJQGHALPV-MNOVXSKESA-N 1 2 309.332 0.460 10 0 DCAELO C[C@H](C(=O)NCC(F)(F)F)[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173941956 298147908 /nfs/dbraw/zinc/14/79/08/298147908.db2.gz UZTAUMJQGHALPV-MNOVXSKESA-N 1 2 309.332 0.460 10 0 DCAELO C[C@H](C(=O)NCC(F)(F)F)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173941956 298147912 /nfs/dbraw/zinc/14/79/12/298147912.db2.gz UZTAUMJQGHALPV-MNOVXSKESA-N 1 2 309.332 0.460 10 0 DCAELO Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@H]2CNC(=O)C2)CC1 ZINC000299446178 534355353 /nfs/dbraw/zinc/35/53/53/534355353.db2.gz RCBROBODIYVNNN-GFCCVEGCSA-N 1 2 306.366 0.072 10 0 DCAELO COCCCNC(=O)C[N@@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000158135664 523326231 /nfs/dbraw/zinc/32/62/31/523326231.db2.gz KAHRBKNXBBODGT-HZSPNIEDSA-N 1 2 300.399 0.407 10 0 DCAELO COCCCNC(=O)C[N@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000158135664 523326234 /nfs/dbraw/zinc/32/62/34/523326234.db2.gz KAHRBKNXBBODGT-HZSPNIEDSA-N 1 2 300.399 0.407 10 0 DCAELO CN(Cc1cccs1)C(=O)C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000371813660 523442245 /nfs/dbraw/zinc/44/22/45/523442245.db2.gz AYPCXNPADQDBTG-ZDUSSCGKSA-N 1 2 309.435 0.723 10 0 DCAELO CN(Cc1cccs1)C(=O)C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000371813660 523442252 /nfs/dbraw/zinc/44/22/52/523442252.db2.gz AYPCXNPADQDBTG-ZDUSSCGKSA-N 1 2 309.435 0.723 10 0 DCAELO CCn1cc([C@@H]2C[N@H+](CCC(=O)NC(=O)NC)CCO2)cn1 ZINC000190738967 523467443 /nfs/dbraw/zinc/46/74/43/523467443.db2.gz SUUSBDCXDDUKNY-LBPRGKRZSA-N 1 2 309.370 0.122 10 0 DCAELO CCn1cc([C@@H]2C[N@@H+](CCC(=O)NC(=O)NC)CCO2)cn1 ZINC000190738967 523467455 /nfs/dbraw/zinc/46/74/55/523467455.db2.gz SUUSBDCXDDUKNY-LBPRGKRZSA-N 1 2 309.370 0.122 10 0 DCAELO CCc1cc(=O)n2nc(N[C@H](C)[C@@H]3C[N@H+](C)CCO3)sc2n1 ZINC000154811234 523742481 /nfs/dbraw/zinc/74/24/81/523742481.db2.gz LVVKNCJVMOZLBX-KOLCDFICSA-N 1 2 323.422 0.844 10 0 DCAELO CCc1cc(=O)n2nc(N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)sc2n1 ZINC000154811234 523742483 /nfs/dbraw/zinc/74/24/83/523742483.db2.gz LVVKNCJVMOZLBX-KOLCDFICSA-N 1 2 323.422 0.844 10 0 DCAELO C[C@@H](CS(=O)(=O)N1CC[NH+](CCO)CC1)c1ccccc1 ZINC000149455743 524827937 /nfs/dbraw/zinc/82/79/37/524827937.db2.gz JUMZPEQZCHBTMO-AWEZNQCLSA-N 1 2 312.435 0.730 10 0 DCAELO Cc1cnn(Cc2cc(C(=O)NC[C@H]3C[N@H+](C)CCO3)no2)c1 ZINC000124867430 526265232 /nfs/dbraw/zinc/26/52/32/526265232.db2.gz NSQMZBPKMDYJMD-ZDUSSCGKSA-N 1 2 319.365 0.288 10 0 DCAELO Cc1cnn(Cc2cc(C(=O)NC[C@H]3C[N@@H+](C)CCO3)no2)c1 ZINC000124867430 526265234 /nfs/dbraw/zinc/26/52/34/526265234.db2.gz NSQMZBPKMDYJMD-ZDUSSCGKSA-N 1 2 319.365 0.288 10 0 DCAELO Cc1ncc(C[NH+]2CCN(CC(=O)N3CCNC3=O)CC2)s1 ZINC000105813780 527258990 /nfs/dbraw/zinc/25/89/90/527258990.db2.gz BRZHQIMMWZOKDM-UHFFFAOYSA-N 1 2 323.422 0.121 10 0 DCAELO COCCC1(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)CCCC1 ZINC000132787116 545794886 /nfs/dbraw/zinc/79/48/86/545794886.db2.gz XUHGJUYTGDJTOG-CQSZACIVSA-N 1 2 314.426 0.393 10 0 DCAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1ccc2ncccc2c1 ZINC000178632232 545895977 /nfs/dbraw/zinc/89/59/77/545895977.db2.gz MQQWDIIDLIFHOO-HNNXBMFYSA-N 1 2 315.373 0.658 10 0 DCAELO CCC(=O)N1CSC[C@H]1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000332759496 546059072 /nfs/dbraw/zinc/05/90/72/546059072.db2.gz WVVAGTFWBUSKOA-NEPJUHHUSA-N 1 2 315.439 0.135 10 0 DCAELO C[C@@H]1OCC[C@H]1NC(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000333137271 546072716 /nfs/dbraw/zinc/07/27/16/546072716.db2.gz JPKXHWBQHFXNEM-NWANDNLSSA-N 1 2 311.426 0.916 10 0 DCAELO C[C@@H]1OCC[C@H]1NC(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000333137271 546072718 /nfs/dbraw/zinc/07/27/18/546072718.db2.gz JPKXHWBQHFXNEM-NWANDNLSSA-N 1 2 311.426 0.916 10 0 DCAELO O=S(=O)(c1ccc(Cl)s1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405279144 546228198 /nfs/dbraw/zinc/22/81/98/546228198.db2.gz UOEGCLZJGBEMIB-DTWKUNHWSA-N 1 2 322.839 0.841 10 0 DCAELO O=S(=O)(c1ccc(Cl)s1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000405279144 546228201 /nfs/dbraw/zinc/22/82/01/546228201.db2.gz UOEGCLZJGBEMIB-DTWKUNHWSA-N 1 2 322.839 0.841 10 0 DCAELO O=S1(=O)C[C@@H](O)[C@H]([NH2+]Cc2ccc(Br)o2)C1 ZINC000309579069 659417109 /nfs/dbraw/zinc/41/71/09/659417109.db2.gz PTBBIYSBYCOVHD-HTQZYQBOSA-N 1 2 310.169 0.290 10 0 DCAELO C[C@@H]1C[N@H+](CCNC(=O)Nc2ccc(N(C)C)nc2)CCO1 ZINC000726258861 661654865 /nfs/dbraw/zinc/65/48/65/661654865.db2.gz LDOVWXIADUETFZ-GFCCVEGCSA-N 1 2 307.398 0.990 10 0 DCAELO C[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc(N(C)C)nc2)CCO1 ZINC000726258861 661654866 /nfs/dbraw/zinc/65/48/66/661654866.db2.gz LDOVWXIADUETFZ-GFCCVEGCSA-N 1 2 307.398 0.990 10 0 DCAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)C(F)(F)c1ccccc1 ZINC000192455389 662876735 /nfs/dbraw/zinc/87/67/35/662876735.db2.gz UPJJFSJHHMCGKG-CYBMUJFWSA-N 1 2 314.332 0.588 10 0 DCAELO Cc1cn(C(C)(C)C(=O)N2CC[C@](O)(c3nc(C)no3)C2)c[nH+]1 ZINC000897572745 662905470 /nfs/dbraw/zinc/90/54/70/662905470.db2.gz GTVXHUMBZQMEBU-OAHLLOKOSA-N 1 2 319.365 0.738 10 0 DCAELO CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC000702830304 667001157 /nfs/dbraw/zinc/00/11/57/667001157.db2.gz JYQPVFVTQLXLMB-NEPJUHHUSA-N 1 2 324.381 0.227 10 0 DCAELO O=C(C[N@@H+]1CCCC2(C1)OCCO2)N1CCO[C@H]2CCCC[C@@H]21 ZINC000136148713 667697052 /nfs/dbraw/zinc/69/70/52/667697052.db2.gz GTPAMBFNVPVAPG-GJZGRUSLSA-N 1 2 324.421 0.995 10 0 DCAELO O=C(C[N@H+]1CCCC2(C1)OCCO2)N1CCO[C@H]2CCCC[C@@H]21 ZINC000136148713 667697055 /nfs/dbraw/zinc/69/70/55/667697055.db2.gz GTPAMBFNVPVAPG-GJZGRUSLSA-N 1 2 324.421 0.995 10 0 DCAELO CCn1[nH]c(C)nc1=NC(=O)N(C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000888536817 667763583 /nfs/dbraw/zinc/76/35/83/667763583.db2.gz JXGFJPGLGHSTBP-LBPRGKRZSA-N 1 2 317.397 0.951 10 0 DCAELO C[C@@H](CNC(=O)NC[C@@H](O)c1ccccc1)[NH+]1CCOCC1 ZINC000078432501 670029990 /nfs/dbraw/zinc/02/99/90/670029990.db2.gz AZCZUCOELNUGIT-DZGCQCFKSA-N 1 2 307.394 0.740 10 0 DCAELO O=C([C@@H]1CNC(=O)C1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105817583 672235519 /nfs/dbraw/zinc/23/55/19/672235519.db2.gz FXLPPQMCNWKQMS-GJZGRUSLSA-N 1 2 317.389 0.000 10 0 DCAELO CS(=O)(=O)NCC[NH2+]Cc1ncc(Br)s1 ZINC000380294563 1190699158 /nfs/dbraw/zinc/69/91/58/1190699158.db2.gz CJDJIQKALBSARE-UHFFFAOYSA-N 1 2 314.230 0.544 10 0 DCAELO CC[S@@](=O)c1ccccc1C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000188736234 529450147 /nfs/dbraw/zinc/45/01/47/529450147.db2.gz JJTXGDPCLXHXEQ-MCMMXHMISA-N 1 2 324.446 0.953 10 0 DCAELO CC[S@@](=O)c1ccccc1C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000188736234 529450149 /nfs/dbraw/zinc/45/01/49/529450149.db2.gz JJTXGDPCLXHXEQ-MCMMXHMISA-N 1 2 324.446 0.953 10 0 DCAELO Cc1nc(N2CC[C@H](NS(C)(=O)=O)C2)c2c([nH+]1)CCCC2 ZINC000272817531 210217698 /nfs/dbraw/zinc/21/76/98/210217698.db2.gz DNLKXCVOGKOMTC-NSHDSACASA-N 1 2 310.423 0.792 10 0 DCAELO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)Cc2ccccc2F)CCO1 ZINC000276427646 529852003 /nfs/dbraw/zinc/85/20/03/529852003.db2.gz LSHGCGWWYKIOQT-CYBMUJFWSA-N 1 2 323.368 0.013 10 0 DCAELO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)Cc2ccccc2F)CCO1 ZINC000276427646 529852005 /nfs/dbraw/zinc/85/20/05/529852005.db2.gz LSHGCGWWYKIOQT-CYBMUJFWSA-N 1 2 323.368 0.013 10 0 DCAELO CO[C@@H](C)C[NH+]1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000182001253 199372615 /nfs/dbraw/zinc/37/26/15/199372615.db2.gz BFJWQHSJEPSLMY-JTQLQIEISA-N 1 2 317.411 0.633 10 0 DCAELO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1nccn(C)c1=O ZINC000183850209 186224393 /nfs/dbraw/zinc/22/43/93/186224393.db2.gz GRMCYJXCKTXOIG-NWDGAFQWSA-N 1 2 305.382 0.871 10 0 DCAELO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1nccn(C)c1=O ZINC000183850209 186224395 /nfs/dbraw/zinc/22/43/95/186224395.db2.gz GRMCYJXCKTXOIG-NWDGAFQWSA-N 1 2 305.382 0.871 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)Nc2nc3c(s2)COCC3)C1 ZINC000172421503 198094793 /nfs/dbraw/zinc/09/47/93/198094793.db2.gz UUGPUGOCEOMODX-VIFPVBQESA-N 1 2 312.395 0.668 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)Nc2nc3c(s2)COCC3)C1 ZINC000172421503 198094795 /nfs/dbraw/zinc/09/47/95/198094795.db2.gz UUGPUGOCEOMODX-VIFPVBQESA-N 1 2 312.395 0.668 10 0 DCAELO CCc1cc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc(=O)[nH]1 ZINC000182045545 199379227 /nfs/dbraw/zinc/37/92/27/199379227.db2.gz ZTSLQOIHFQRZHL-AWEZNQCLSA-N 1 2 305.378 0.484 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cnn(C)c2)nc[nH+]1 ZINC000173444583 198215092 /nfs/dbraw/zinc/21/50/92/198215092.db2.gz YTJOMEQULKEVFK-LBPRGKRZSA-N 1 2 315.381 0.651 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cnn(C)c2)[nH+]cn1 ZINC000173444583 198215094 /nfs/dbraw/zinc/21/50/94/198215094.db2.gz YTJOMEQULKEVFK-LBPRGKRZSA-N 1 2 315.381 0.651 10 0 DCAELO CS(=O)(=O)N[C@H]1CC[N@H+](C[C@H](O)c2cccc(Cl)c2)C1 ZINC000173763090 198248928 /nfs/dbraw/zinc/24/89/28/198248928.db2.gz RXBNGMKWTIUNOF-STQMWFEESA-N 1 2 318.826 0.997 10 0 DCAELO CS(=O)(=O)N[C@H]1CC[N@@H+](C[C@H](O)c2cccc(Cl)c2)C1 ZINC000173763090 198248930 /nfs/dbraw/zinc/24/89/30/198248930.db2.gz RXBNGMKWTIUNOF-STQMWFEESA-N 1 2 318.826 0.997 10 0 DCAELO C[C@@H]1CN(C(=O)c2ccc(N(C)C)nc2)C[C@H]1[NH+]1CCOCC1 ZINC000173855037 198261494 /nfs/dbraw/zinc/26/14/94/198261494.db2.gz WCHKOZKFHGPVKA-UKRRQHHQSA-N 1 2 318.421 0.940 10 0 DCAELO CCc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+](C)CCO2)s1 ZINC000074773649 191358405 /nfs/dbraw/zinc/35/84/05/191358405.db2.gz QUQTYTXHSUOQCY-SNVBAGLBSA-N 1 2 304.437 0.919 10 0 DCAELO CCc1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+](C)CCO2)s1 ZINC000074773649 191358407 /nfs/dbraw/zinc/35/84/07/191358407.db2.gz QUQTYTXHSUOQCY-SNVBAGLBSA-N 1 2 304.437 0.919 10 0 DCAELO COC(=O)C[C@@H](C)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000132369977 291101913 /nfs/dbraw/zinc/10/19/13/291101913.db2.gz ICMMWNWXZOFKLK-ZIAGYGMSSA-N 1 2 312.410 0.899 10 0 DCAELO COc1cc(F)cc(CNC(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000179454056 199037982 /nfs/dbraw/zinc/03/79/82/199037982.db2.gz CLSKXUWWPRUUBR-AWEZNQCLSA-N 1 2 311.357 0.964 10 0 DCAELO COc1cc(F)cc(CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000179454056 199037984 /nfs/dbraw/zinc/03/79/84/199037984.db2.gz CLSKXUWWPRUUBR-AWEZNQCLSA-N 1 2 311.357 0.964 10 0 DCAELO CCc1[nH+]c2ccccc2n1CC(=O)N1CCOC[C@@H]1C(N)=O ZINC000180212489 199131612 /nfs/dbraw/zinc/13/16/12/199131612.db2.gz REYNZIYPMMHDCN-CYBMUJFWSA-N 1 2 316.361 0.311 10 0 DCAELO C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(=O)N1CCCCC1 ZINC000178773518 237238718 /nfs/dbraw/zinc/23/87/18/237238718.db2.gz PDEXPUJQVZYCHT-CHWSQXEVSA-N 1 2 304.394 0.963 10 0 DCAELO NC(=O)c1cc(Cl)ccc1OC[C@H](O)C[NH+]1CCOCC1 ZINC000153537239 291207376 /nfs/dbraw/zinc/20/73/76/291207376.db2.gz RPWVDZKTSNUJIK-LLVKDONJSA-N 1 2 314.769 0.511 10 0 DCAELO CC(C)n1cnc(S(=O)(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1 ZINC000188724572 200294247 /nfs/dbraw/zinc/29/42/47/200294247.db2.gz MWZXITCPQAUEBZ-GFCCVEGCSA-N 1 2 316.427 0.151 10 0 DCAELO CC(C)n1cnc(S(=O)(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1 ZINC000188724572 200294249 /nfs/dbraw/zinc/29/42/49/200294249.db2.gz MWZXITCPQAUEBZ-GFCCVEGCSA-N 1 2 316.427 0.151 10 0 DCAELO C[C@H]1CN(S(=O)(=O)c2ccccc2F)CC[N@@H+]1CCO ZINC000188726321 200294477 /nfs/dbraw/zinc/29/44/77/200294477.db2.gz RNPRAHGRSUUHSI-NSHDSACASA-N 1 2 302.371 0.513 10 0 DCAELO C[C@H]1CN(S(=O)(=O)c2ccccc2F)CC[N@H+]1CCO ZINC000188726321 200294478 /nfs/dbraw/zinc/29/44/78/200294478.db2.gz RNPRAHGRSUUHSI-NSHDSACASA-N 1 2 302.371 0.513 10 0 DCAELO C[C@H]1CN(S(=O)(=O)Cc2ccc(F)cc2)CC[N@@H+]1CCO ZINC000188726852 200295280 /nfs/dbraw/zinc/29/52/80/200295280.db2.gz KFZJIDJBLGWTSL-LBPRGKRZSA-N 1 2 316.398 0.654 10 0 DCAELO C[C@H]1CN(S(=O)(=O)Cc2ccc(F)cc2)CC[N@H+]1CCO ZINC000188726852 200295282 /nfs/dbraw/zinc/29/52/82/200295282.db2.gz KFZJIDJBLGWTSL-LBPRGKRZSA-N 1 2 316.398 0.654 10 0 DCAELO CSCCC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000154949338 291216958 /nfs/dbraw/zinc/21/69/58/291216958.db2.gz PLJLVKQNGNOJFI-CYBMUJFWSA-N 1 2 313.467 0.895 10 0 DCAELO Cn1cc[nH+]c1[C@@H]1CN(C(=O)NC[C@H]2CCCCO2)CCN1C ZINC000275356032 212289146 /nfs/dbraw/zinc/28/91/46/212289146.db2.gz ISJJYFKAWNQCCD-KGLIPLIRSA-N 1 2 321.425 0.987 10 0 DCAELO O=C([C@@H]1OC[C@@H]2COCC[C@@H]12)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000330178646 296084225 /nfs/dbraw/zinc/08/42/25/296084225.db2.gz DVXDZFWVAAWYFH-XUWVNRHRSA-N 1 2 317.389 0.606 10 0 DCAELO CC[NH+]1CCN(S(=O)(=O)[C@@H]2CCC[C@@H]2C(=O)OC)CC1 ZINC000233489424 261153936 /nfs/dbraw/zinc/15/39/36/261153936.db2.gz DXTMGYUYVBKKMA-NWDGAFQWSA-N 1 2 304.412 0.295 10 0 DCAELO Cn1cc[nH+]c1[C@H]1CN(C(=O)[C@@]2(C)CCC(=O)NC2)CCN1C ZINC000282532628 217067856 /nfs/dbraw/zinc/06/78/56/217067856.db2.gz YYPPYUUCEPWIDE-WBMJQRKESA-N 1 2 319.409 0.152 10 0 DCAELO C[C@@H]1C(=O)NCCC[N@H+]1CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000249023567 296260085 /nfs/dbraw/zinc/26/00/85/296260085.db2.gz KNUMPGKJLQMPJW-MGPQQGTHSA-N 1 2 309.410 0.367 10 0 DCAELO C[C@@H]1C(=O)NCCC[N@@H+]1CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000249023567 296260088 /nfs/dbraw/zinc/26/00/88/296260088.db2.gz KNUMPGKJLQMPJW-MGPQQGTHSA-N 1 2 309.410 0.367 10 0 DCAELO C[C@H]([C@H](C)NS(=O)(=O)N1CCC[C@@H](C)C1)[NH+]1CCOCC1 ZINC000104758679 194034963 /nfs/dbraw/zinc/03/49/63/194034963.db2.gz ZFZIRIKLYTUCHD-HZSPNIEDSA-N 1 2 319.471 0.662 10 0 DCAELO Cc1ccc([C@@H](O)CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000104797572 194042024 /nfs/dbraw/zinc/04/20/24/194042024.db2.gz NJHQWKBIRDKFEP-CABCVRRESA-N 1 2 307.394 0.658 10 0 DCAELO Cc1ccc([C@@H](O)CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000104797572 194042026 /nfs/dbraw/zinc/04/20/26/194042026.db2.gz NJHQWKBIRDKFEP-CABCVRRESA-N 1 2 307.394 0.658 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)C1 ZINC000105282211 194093017 /nfs/dbraw/zinc/09/30/17/194093017.db2.gz FBWYYQIRYHYRGN-VHDGCEQUSA-N 1 2 305.378 0.275 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)C1 ZINC000105282211 194093019 /nfs/dbraw/zinc/09/30/19/194093019.db2.gz FBWYYQIRYHYRGN-VHDGCEQUSA-N 1 2 305.378 0.275 10 0 DCAELO Cc1cc(C)n(C[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)CCO2)n1 ZINC000105893708 194160751 /nfs/dbraw/zinc/16/07/51/194160751.db2.gz YJCITZHUJOFNPW-AWEZNQCLSA-N 1 2 320.393 0.350 10 0 DCAELO Cc1cc(C)n(C[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)CCO2)n1 ZINC000105893708 194160753 /nfs/dbraw/zinc/16/07/53/194160753.db2.gz YJCITZHUJOFNPW-AWEZNQCLSA-N 1 2 320.393 0.350 10 0 DCAELO C[C@@H]1CCCCN1S(=O)(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000329618930 296317225 /nfs/dbraw/zinc/31/72/25/296317225.db2.gz GISFULMQCUYNBF-ZIAGYGMSSA-N 1 2 317.455 0.512 10 0 DCAELO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000162998887 285193504 /nfs/dbraw/zinc/19/35/04/285193504.db2.gz FNRGKXZCELLYPB-GFCCVEGCSA-N 1 2 302.440 0.896 10 0 DCAELO CC[N@H+]1CCCC[C@@H]1C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000162998887 285193508 /nfs/dbraw/zinc/19/35/08/285193508.db2.gz FNRGKXZCELLYPB-GFCCVEGCSA-N 1 2 302.440 0.896 10 0 DCAELO COc1ncccc1C[N@@H+]1CC[C@@H]2[C@@H]1CCN2S(C)(=O)=O ZINC000247882941 257114753 /nfs/dbraw/zinc/11/47/53/257114753.db2.gz QPLSFDUFYAZBDL-QWHCGFSZSA-N 1 2 311.407 0.698 10 0 DCAELO COc1ncccc1C[N@H+]1CC[C@@H]2[C@@H]1CCN2S(C)(=O)=O ZINC000247882941 257114754 /nfs/dbraw/zinc/11/47/54/257114754.db2.gz QPLSFDUFYAZBDL-QWHCGFSZSA-N 1 2 311.407 0.698 10 0 DCAELO Cn1cc[nH+]c1[C@@H]1CN(C(=O)NCCn2cccc2)CCN1C ZINC000275339781 130306084 /nfs/dbraw/zinc/30/60/84/130306084.db2.gz ATKCUNNIWGFRSD-AWEZNQCLSA-N 1 2 316.409 0.920 10 0 DCAELO COc1ncccc1CNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000284005509 131040261 /nfs/dbraw/zinc/04/02/61/131040261.db2.gz MSRADTGWEOLJMG-KBPBESRZSA-N 1 2 320.393 0.705 10 0 DCAELO COc1ncccc1CNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000284005509 131040262 /nfs/dbraw/zinc/04/02/62/131040262.db2.gz MSRADTGWEOLJMG-KBPBESRZSA-N 1 2 320.393 0.705 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnn4cccnc34)C[C@H]21 ZINC000284367742 131074509 /nfs/dbraw/zinc/07/45/09/131074509.db2.gz FDVCDIRURQSULQ-OLZOCXBDSA-N 1 2 301.350 0.274 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)c3cnn4cccnc34)C[C@H]21 ZINC000284367742 131074511 /nfs/dbraw/zinc/07/45/11/131074511.db2.gz FDVCDIRURQSULQ-OLZOCXBDSA-N 1 2 301.350 0.274 10 0 DCAELO COC[C@H]1CN(c2cc(N3CCOCC3)[nH+]cn2)CC(C)(C)O1 ZINC000285228745 131149642 /nfs/dbraw/zinc/14/96/42/131149642.db2.gz YBHUESHNJAJWMQ-CYBMUJFWSA-N 1 2 322.409 0.943 10 0 DCAELO COC[C@H]1CN(c2cc(N3CCOCC3)nc[nH+]2)CC(C)(C)O1 ZINC000285228745 131149643 /nfs/dbraw/zinc/14/96/43/131149643.db2.gz YBHUESHNJAJWMQ-CYBMUJFWSA-N 1 2 322.409 0.943 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)Nc3nc4ccccn4n3)C[C@H]21 ZINC000285431649 131167522 /nfs/dbraw/zinc/16/75/22/131167522.db2.gz JFDJMMZPSCMJKR-NEPJUHHUSA-N 1 2 316.365 0.666 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3nc4ccccn4n3)C[C@H]21 ZINC000285431649 131167523 /nfs/dbraw/zinc/16/75/23/131167523.db2.gz JFDJMMZPSCMJKR-NEPJUHHUSA-N 1 2 316.365 0.666 10 0 DCAELO Cn1nc(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1=O ZINC000120781260 132151158 /nfs/dbraw/zinc/15/11/58/132151158.db2.gz OAMYEKUKAUPUCV-LBPRGKRZSA-N 1 2 300.318 0.469 10 0 DCAELO CCOC(=O)C(C)(C)C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000120022001 285634641 /nfs/dbraw/zinc/63/46/41/285634641.db2.gz ZEYCPMCEQNDSHJ-OLZOCXBDSA-N 1 2 312.410 0.755 10 0 DCAELO O=C(NCCNC(=O)c1ccccc1)NCCn1cc[nH+]c1 ZINC000043310580 395752667 /nfs/dbraw/zinc/75/26/67/395752667.db2.gz LBYBDWNTTKSJMT-UHFFFAOYSA-N 1 2 301.350 0.612 10 0 DCAELO C=Cn1cc(C[NH+]2CCN(c3ccc4nncn4n3)CC2)cn1 ZINC000193895891 395781171 /nfs/dbraw/zinc/78/11/71/395781171.db2.gz HCBASJNNGXJUPQ-UHFFFAOYSA-N 1 2 310.365 0.744 10 0 DCAELO CCO[C@@H](C(=O)NC[C@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC000193904611 395781729 /nfs/dbraw/zinc/78/17/29/395781729.db2.gz XGQPWNBNOLMUDV-JKSUJKDBSA-N 1 2 322.405 0.574 10 0 DCAELO C[C@@H](CNC(=O)NC[C@@H](O)Cc1ccccc1)[NH+]1CCOCC1 ZINC000103853784 395775427 /nfs/dbraw/zinc/77/54/27/395775427.db2.gz QUKBHRDNSFDYTA-HOCLYGCPSA-N 1 2 321.421 0.610 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)Cc2cnn(-c3ccccc3)c2)C1 ZINC000194618659 395802954 /nfs/dbraw/zinc/80/29/54/395802954.db2.gz NVHNNDFSQYJIQU-MRXNPFEDSA-N 1 2 314.389 0.862 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)Cc2cnn(-c3ccccc3)c2)C1 ZINC000194618659 395802957 /nfs/dbraw/zinc/80/29/57/395802957.db2.gz NVHNNDFSQYJIQU-MRXNPFEDSA-N 1 2 314.389 0.862 10 0 DCAELO O=C(CN1CSCC1=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000194660546 395803406 /nfs/dbraw/zinc/80/34/06/395803406.db2.gz ZQPKMBUIQYANDK-UHFFFAOYSA-N 1 2 317.374 0.416 10 0 DCAELO CS(=O)(=O)N1CCC[C@H](C[N@H+](CCO)CC(F)F)C1 ZINC000194855574 395810201 /nfs/dbraw/zinc/81/02/01/395810201.db2.gz UHDRUWOUSXPBMY-SNVBAGLBSA-N 1 2 300.371 0.217 10 0 DCAELO CS(=O)(=O)N1CCC[C@H](C[N@@H+](CCO)CC(F)F)C1 ZINC000194855574 395810204 /nfs/dbraw/zinc/81/02/04/395810204.db2.gz UHDRUWOUSXPBMY-SNVBAGLBSA-N 1 2 300.371 0.217 10 0 DCAELO Cc1cnn([C@H]2CCCN(C(=O)NCC[NH+]3CCOCC3)C2)c1 ZINC000111787978 395813564 /nfs/dbraw/zinc/81/35/64/395813564.db2.gz MSJWVXBARMQPJN-HNNXBMFYSA-N 1 2 321.425 0.870 10 0 DCAELO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCC2(C)COC2)CC1 ZINC000112724009 395823383 /nfs/dbraw/zinc/82/33/83/395823383.db2.gz DSXPJKUOEGIUCC-GFCCVEGCSA-N 1 2 324.425 0.017 10 0 DCAELO O=C(NCCCNc1cccc[nH+]1)N[C@@H]1CCc2ncnn2C1 ZINC000112743870 395824153 /nfs/dbraw/zinc/82/41/53/395824153.db2.gz UEZFZNTYDLZEEI-GFCCVEGCSA-N 1 2 315.381 0.789 10 0 DCAELO CCc1cccc(C)c1NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000118115910 395860020 /nfs/dbraw/zinc/86/00/20/395860020.db2.gz SGQPQLJKTADBJA-AWEZNQCLSA-N 1 2 319.405 0.943 10 0 DCAELO CCc1cccc(C)c1NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000118115910 395860024 /nfs/dbraw/zinc/86/00/24/395860024.db2.gz SGQPQLJKTADBJA-AWEZNQCLSA-N 1 2 319.405 0.943 10 0 DCAELO COc1ccc(OC)c(C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)c1 ZINC000116888442 395847944 /nfs/dbraw/zinc/84/79/44/395847944.db2.gz VTLMSHAUBKRHSW-GFCCVEGCSA-N 1 2 314.407 0.827 10 0 DCAELO COc1ccc(OC)c(C[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)c1 ZINC000116888442 395847947 /nfs/dbraw/zinc/84/79/47/395847947.db2.gz VTLMSHAUBKRHSW-GFCCVEGCSA-N 1 2 314.407 0.827 10 0 DCAELO CNS(=O)(=O)c1cccc(C(=O)N2CC[NH+](C3CC3)CC2)c1 ZINC000124927699 395901557 /nfs/dbraw/zinc/90/15/57/395901557.db2.gz OSUXRMATSSRULY-UHFFFAOYSA-N 1 2 323.418 0.515 10 0 DCAELO COCC[N@@H+]1CCN(C(=O)C(=O)Nc2ccsc2)C[C@@H]1C ZINC000125435232 395903047 /nfs/dbraw/zinc/90/30/47/395903047.db2.gz SMVKFBGVQGTOEX-NSHDSACASA-N 1 2 311.407 0.866 10 0 DCAELO COCC[N@H+]1CCN(C(=O)C(=O)Nc2ccsc2)C[C@@H]1C ZINC000125435232 395903050 /nfs/dbraw/zinc/90/30/50/395903050.db2.gz SMVKFBGVQGTOEX-NSHDSACASA-N 1 2 311.407 0.866 10 0 DCAELO CC(C)(C)c1cc(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)[nH]n1 ZINC000126466444 395913876 /nfs/dbraw/zinc/91/38/76/395913876.db2.gz PUDYNDPROWOCDL-LLVKDONJSA-N 1 2 310.398 0.130 10 0 DCAELO COC(=O)c1ccccc1NC(=O)N1CC[NH+](CCO)CC1 ZINC000244139726 395924327 /nfs/dbraw/zinc/92/43/27/395924327.db2.gz UOOJYZRJTDLQQY-UHFFFAOYSA-N 1 2 307.350 0.615 10 0 DCAELO CCS[C@H](C(=O)NC[C@@H](O)C[NH+]1CCOCC1)C(C)C ZINC000133076210 395928275 /nfs/dbraw/zinc/92/82/75/395928275.db2.gz WQDWYAQVZCKEBG-OLZOCXBDSA-N 1 2 304.456 0.573 10 0 DCAELO C[C@@H]1c2ccccc2O[C@H]1C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000245597905 395932472 /nfs/dbraw/zinc/93/24/72/395932472.db2.gz HYGJQDMLPUIJPZ-XJKCOSOUSA-N 1 2 320.389 0.360 10 0 DCAELO CC[C@@H](C)NC(=O)CCNC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000056863666 395934236 /nfs/dbraw/zinc/93/42/36/395934236.db2.gz BTJZYNVAAXEKKZ-CHWSQXEVSA-N 1 2 314.430 0.311 10 0 DCAELO CC[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2ccccc2F)C1 ZINC000134703133 395934266 /nfs/dbraw/zinc/93/42/66/395934266.db2.gz NIDSVRCORLPQLO-NSHDSACASA-N 1 2 302.371 0.825 10 0 DCAELO CC[N@H+]1CCO[C@@H](CNS(=O)(=O)c2ccccc2F)C1 ZINC000134703133 395934270 /nfs/dbraw/zinc/93/42/70/395934270.db2.gz NIDSVRCORLPQLO-NSHDSACASA-N 1 2 302.371 0.825 10 0 DCAELO Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000135574683 395941359 /nfs/dbraw/zinc/94/13/59/395941359.db2.gz DACYHCNQMOFLGI-SMDDNHRTSA-N 1 2 324.425 0.329 10 0 DCAELO O=C(NCc1cn2c([nH+]1)CCCC2)N1CCO[C@@]2(CCOC2)C1 ZINC000274362243 395942611 /nfs/dbraw/zinc/94/26/11/395942611.db2.gz DNTUDDVELXLRHZ-INIZCTEOSA-N 1 2 320.393 0.920 10 0 DCAELO CCOCCS(=O)(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000246639854 395955442 /nfs/dbraw/zinc/95/54/42/395955442.db2.gz ZIQAUERWJBOZTB-STQMWFEESA-N 1 2 306.428 0.005 10 0 DCAELO C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)N[C@@H]2CCCOC2)C1 ZINC000276469230 396000114 /nfs/dbraw/zinc/00/01/14/396000114.db2.gz NMLJFPQURKWTIG-ZIAGYGMSSA-N 1 2 319.409 0.871 10 0 DCAELO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)N[C@@H]2CCCOC2)C1 ZINC000276469230 396000117 /nfs/dbraw/zinc/00/01/17/396000117.db2.gz NMLJFPQURKWTIG-ZIAGYGMSSA-N 1 2 319.409 0.871 10 0 DCAELO COCCCNC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000247010847 395963883 /nfs/dbraw/zinc/96/38/83/395963883.db2.gz CDWSTCSKXZCUAJ-ZIAGYGMSSA-N 1 2 310.398 0.125 10 0 DCAELO COCCCNC(=O)[C@@H](C)[N@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000247010847 395963887 /nfs/dbraw/zinc/96/38/87/395963887.db2.gz CDWSTCSKXZCUAJ-ZIAGYGMSSA-N 1 2 310.398 0.125 10 0 DCAELO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[C@H]2OCCC[C@H]2C1 ZINC000247024646 395964334 /nfs/dbraw/zinc/96/43/34/395964334.db2.gz ZNZOYEUSRRWTNN-OWCLPIDISA-N 1 2 324.469 0.833 10 0 DCAELO CC(C)[C@@H]1C[C@@H]1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000248504481 395988831 /nfs/dbraw/zinc/98/88/31/395988831.db2.gz VPUKEPABRGNLIO-KKUMJFAQSA-N 1 2 323.437 0.328 10 0 DCAELO NC(=O)[C@]1(O)CC[N@H+](Cc2csc(Br)c2)C1 ZINC000276444580 395997760 /nfs/dbraw/zinc/99/77/60/395997760.db2.gz LXXPMGUKHAZFSE-JTQLQIEISA-N 1 2 305.197 0.933 10 0 DCAELO NC(=O)[C@]1(O)CC[N@@H+](Cc2csc(Br)c2)C1 ZINC000276444580 395997762 /nfs/dbraw/zinc/99/77/62/395997762.db2.gz LXXPMGUKHAZFSE-JTQLQIEISA-N 1 2 305.197 0.933 10 0 DCAELO CN(C)c1cccc(C(=O)NC[C@H](O)C[NH+]2CCOCC2)c1 ZINC000154113306 396031503 /nfs/dbraw/zinc/03/15/03/396031503.db2.gz RLQPRQXARNDJDA-HNNXBMFYSA-N 1 2 307.394 0.176 10 0 DCAELO O=C([C@H]1CSC(=O)N1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000154641876 396040035 /nfs/dbraw/zinc/04/00/35/396040035.db2.gz UWCSHCVZRPJFAX-GFCCVEGCSA-N 1 2 306.391 0.551 10 0 DCAELO O=S(=O)(c1cccnc1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261775606 396064923 /nfs/dbraw/zinc/06/49/23/396064923.db2.gz SSMODJZGTHRHQW-AWEZNQCLSA-N 1 2 304.375 0.812 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CC(c3cccnc3)=NO2)C1 ZINC000250356270 396014634 /nfs/dbraw/zinc/01/46/34/396014634.db2.gz LLIUZLWVDRYIOR-GXTWGEPZSA-N 1 2 304.350 0.021 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CC(c3cccnc3)=NO2)C1 ZINC000250356270 396014636 /nfs/dbraw/zinc/01/46/36/396014636.db2.gz LLIUZLWVDRYIOR-GXTWGEPZSA-N 1 2 304.350 0.021 10 0 DCAELO CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1[nH]nc2ccccc21 ZINC000261978821 396086508 /nfs/dbraw/zinc/08/65/08/396086508.db2.gz QYZQOBXIPSPHLR-UHFFFAOYSA-N 1 2 301.350 0.067 10 0 DCAELO CCc1noc2ncc(C(=O)NC[C@@H]3C[N@H+](C)CCO3)cc12 ZINC000171286255 396112650 /nfs/dbraw/zinc/11/26/50/396112650.db2.gz FNADDMYSQFMESR-LLVKDONJSA-N 1 2 304.350 0.846 10 0 DCAELO CCc1noc2ncc(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)cc12 ZINC000171286255 396112655 /nfs/dbraw/zinc/11/26/55/396112655.db2.gz FNADDMYSQFMESR-LLVKDONJSA-N 1 2 304.350 0.846 10 0 DCAELO CCCC(=O)N[C@H]1CCCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263222552 396206787 /nfs/dbraw/zinc/20/67/87/396206787.db2.gz MDQBUKHWRGESMY-WDEREUQCSA-N 1 2 303.353 0.891 10 0 DCAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)N1CCc2ccccc21 ZINC000176658457 396159328 /nfs/dbraw/zinc/15/93/28/396159328.db2.gz PTCFTPCDXQEETL-CQSZACIVSA-N 1 2 305.378 0.452 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2cnc(Cl)c(F)c2)C1 ZINC000279264036 396162000 /nfs/dbraw/zinc/16/20/00/396162000.db2.gz MQSJORAYICPDPI-QMMMGPOBSA-N 1 2 323.777 0.483 10 0 DCAELO C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2cnc(Cl)c(F)c2)C1 ZINC000279264036 396162003 /nfs/dbraw/zinc/16/20/03/396162003.db2.gz MQSJORAYICPDPI-QMMMGPOBSA-N 1 2 323.777 0.483 10 0 DCAELO COCCC(=O)N1CCC(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000262894963 396190955 /nfs/dbraw/zinc/19/09/55/396190955.db2.gz CYNUEZUJFZOAED-NSHDSACASA-N 1 2 319.352 0.127 10 0 DCAELO Cc1cccc(C(=O)NCCNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)c1 ZINC000263000873 396196815 /nfs/dbraw/zinc/19/68/15/396196815.db2.gz OTNXOASRUZAQLD-LBPRGKRZSA-N 1 2 311.332 0.838 10 0 DCAELO O=C(NCCn1c(=O)[nH]c2ccccc21)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263053787 396199742 /nfs/dbraw/zinc/19/97/42/396199742.db2.gz UTEFCXIWXDURKW-SNVBAGLBSA-N 1 2 310.304 0.443 10 0 DCAELO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C[C@H](O)C(F)(F)F)CC1 ZINC000181740867 396241372 /nfs/dbraw/zinc/24/13/72/396241372.db2.gz NBYXFFOJEJSDOK-RYUDHWBXSA-N 1 2 323.359 0.538 10 0 DCAELO C[C@H]([C@H](C)NC(=O)NCCCn1ccnn1)[NH+]1CCOCC1 ZINC000182726951 396253344 /nfs/dbraw/zinc/25/33/44/396253344.db2.gz RJWULWUDCDBDNG-QWHCGFSZSA-N 1 2 310.402 0.077 10 0 DCAELO Cn1ncc2c1CCC[C@H]2NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000264299965 396268584 /nfs/dbraw/zinc/26/85/84/396268584.db2.gz IYXHJSMIGYUMOO-WCQYABFASA-N 1 2 307.398 0.427 10 0 DCAELO Cn1ncc2c1CCC[C@H]2NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000264299965 396268586 /nfs/dbraw/zinc/26/85/86/396268586.db2.gz IYXHJSMIGYUMOO-WCQYABFASA-N 1 2 307.398 0.427 10 0 DCAELO COC(=O)c1coc(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000183659265 396272809 /nfs/dbraw/zinc/27/28/09/396272809.db2.gz LLQFOQVXQNNIRS-LBPRGKRZSA-N 1 2 308.334 0.659 10 0 DCAELO COC(=O)c1coc(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000183659265 396272811 /nfs/dbraw/zinc/27/28/11/396272811.db2.gz LLQFOQVXQNNIRS-LBPRGKRZSA-N 1 2 308.334 0.659 10 0 DCAELO CCCCn1cc(C(=O)NC[C@H](O)C[NH+]2CCOCC2)c(C)n1 ZINC000184350579 396292372 /nfs/dbraw/zinc/29/23/72/396292372.db2.gz PFHMVDFQWYRZGO-AWEZNQCLSA-N 1 2 324.425 0.415 10 0 DCAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCCCc1cnn(C)c1 ZINC000184363417 396292417 /nfs/dbraw/zinc/29/24/17/396292417.db2.gz BCSZWPXZXHXCNO-OAHLLOKOSA-N 1 2 308.426 0.970 10 0 DCAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)NCCCc1cnn(C)c1 ZINC000184363417 396292421 /nfs/dbraw/zinc/29/24/21/396292421.db2.gz BCSZWPXZXHXCNO-OAHLLOKOSA-N 1 2 308.426 0.970 10 0 DCAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@@H]2COCCO2)CC1 ZINC000265335570 396308752 /nfs/dbraw/zinc/30/87/52/396308752.db2.gz UEUKOJBTJAFNGC-HNNXBMFYSA-N 1 2 322.409 0.097 10 0 DCAELO CN1C[C@@H](NC(=O)NCc2cn3c([nH+]2)CCCC3)CCC1=O ZINC000265697086 396337862 /nfs/dbraw/zinc/33/78/62/396337862.db2.gz PFFFIRXURNHZCR-NSHDSACASA-N 1 2 305.382 0.639 10 0 DCAELO C[C@]1(C(N)=O)CCCC[N@@H+]1CC(=O)NC(=O)NCc1ccco1 ZINC000185930618 396338009 /nfs/dbraw/zinc/33/80/09/396338009.db2.gz IPPAKIIRPNVNCI-OAHLLOKOSA-N 1 2 322.365 0.335 10 0 DCAELO C[C@]1(C(N)=O)CCCC[N@H+]1CC(=O)NC(=O)NCc1ccco1 ZINC000185930618 396338011 /nfs/dbraw/zinc/33/80/11/396338011.db2.gz IPPAKIIRPNVNCI-OAHLLOKOSA-N 1 2 322.365 0.335 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)NCC[C@](C)(O)c2ccccc2)C1 ZINC000186565645 396352853 /nfs/dbraw/zinc/35/28/53/396352853.db2.gz GURXGARRYZUZIP-WBVHZDCISA-N 1 2 321.421 0.914 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)NCC[C@](C)(O)c2ccccc2)C1 ZINC000186565645 396352854 /nfs/dbraw/zinc/35/28/54/396352854.db2.gz GURXGARRYZUZIP-WBVHZDCISA-N 1 2 321.421 0.914 10 0 DCAELO O=S(=O)(c1cnn(CC(F)F)c1)N1CC[NH+](C2CC2)CC1 ZINC000186702103 396356151 /nfs/dbraw/zinc/35/61/51/396356151.db2.gz MZYBYSUAXFMGIH-UHFFFAOYSA-N 1 2 320.365 0.617 10 0 DCAELO COc1ccc(F)c(C(=O)NC[C@H]2C[N@H+](C)CCO2)c1OC ZINC000188341551 396381797 /nfs/dbraw/zinc/38/17/97/396381797.db2.gz VTSIRGXUFRGJHA-JTQLQIEISA-N 1 2 312.341 0.903 10 0 DCAELO COc1ccc(F)c(C(=O)NC[C@H]2C[N@@H+](C)CCO2)c1OC ZINC000188341551 396381799 /nfs/dbraw/zinc/38/17/99/396381799.db2.gz VTSIRGXUFRGJHA-JTQLQIEISA-N 1 2 312.341 0.903 10 0 DCAELO C[C@@H]1CN(C(=O)CSCc2cscn2)CC[N@@H+]1CCO ZINC000188743276 396384864 /nfs/dbraw/zinc/38/48/64/396384864.db2.gz NZAVODCVZLTALH-LLVKDONJSA-N 1 2 315.464 0.901 10 0 DCAELO C[C@@H]1CN(C(=O)CSCc2cscn2)CC[N@H+]1CCO ZINC000188743276 396384865 /nfs/dbraw/zinc/38/48/65/396384865.db2.gz NZAVODCVZLTALH-LLVKDONJSA-N 1 2 315.464 0.901 10 0 DCAELO C[C@@H]1CN(C(=O)c2cc(-c3ccncc3)on2)CC[N@@H+]1CCO ZINC000188787142 396386342 /nfs/dbraw/zinc/38/63/42/396386342.db2.gz ZSVVJMVVTNAMDE-GFCCVEGCSA-N 1 2 316.361 0.875 10 0 DCAELO C[C@@H]1CN(C(=O)c2cc(-c3ccncc3)on2)CC[N@H+]1CCO ZINC000188787142 396386346 /nfs/dbraw/zinc/38/63/46/396386346.db2.gz ZSVVJMVVTNAMDE-GFCCVEGCSA-N 1 2 316.361 0.875 10 0 DCAELO C[C@H]1CN(C(=O)c2cc3c(s2)CCOC3)CC[N@@H+]1CCO ZINC000188784629 396386673 /nfs/dbraw/zinc/38/66/73/396386673.db2.gz YKBKLDODBRYBRZ-NSHDSACASA-N 1 2 310.419 0.959 10 0 DCAELO C[C@H]1CN(C(=O)c2cc3c(s2)CCOC3)CC[N@H+]1CCO ZINC000188784629 396386675 /nfs/dbraw/zinc/38/66/75/396386675.db2.gz YKBKLDODBRYBRZ-NSHDSACASA-N 1 2 310.419 0.959 10 0 DCAELO CCOc1cccc(CNC(=O)C[N@@H+]2CCCNC(=O)[C@H]2C)c1 ZINC000189296247 396392944 /nfs/dbraw/zinc/39/29/44/396392944.db2.gz QJMWBCWXCVCYBY-CYBMUJFWSA-N 1 2 319.405 0.912 10 0 DCAELO CCOc1cccc(CNC(=O)C[N@H+]2CCCNC(=O)[C@H]2C)c1 ZINC000189296247 396392945 /nfs/dbraw/zinc/39/29/45/396392945.db2.gz QJMWBCWXCVCYBY-CYBMUJFWSA-N 1 2 319.405 0.912 10 0 DCAELO COc1ccc(CN(C)C(=O)C[N@@H+]2CCCNC(=O)[C@H]2C)cc1 ZINC000189340840 396394179 /nfs/dbraw/zinc/39/41/79/396394179.db2.gz QQLUDTVHVWMMHP-CYBMUJFWSA-N 1 2 319.405 0.864 10 0 DCAELO COc1ccc(CN(C)C(=O)C[N@H+]2CCCNC(=O)[C@H]2C)cc1 ZINC000189340840 396394180 /nfs/dbraw/zinc/39/41/80/396394180.db2.gz QQLUDTVHVWMMHP-CYBMUJFWSA-N 1 2 319.405 0.864 10 0 DCAELO CCc1nnc(C2CC[NH+](CCNS(=O)(=O)CC)CC2)[nH]1 ZINC000190704817 396410490 /nfs/dbraw/zinc/41/04/90/396410490.db2.gz QJVLSYDSOMFWSG-UHFFFAOYSA-N 1 2 315.443 0.486 10 0 DCAELO CCc1n[nH]c(C2CC[NH+](CCNS(=O)(=O)CC)CC2)n1 ZINC000190704817 396410492 /nfs/dbraw/zinc/41/04/92/396410492.db2.gz QJVLSYDSOMFWSG-UHFFFAOYSA-N 1 2 315.443 0.486 10 0 DCAELO CCc1nc(C2CC[NH+](CCNS(=O)(=O)CC)CC2)n[nH]1 ZINC000190704817 396410495 /nfs/dbraw/zinc/41/04/95/396410495.db2.gz QJVLSYDSOMFWSG-UHFFFAOYSA-N 1 2 315.443 0.486 10 0 DCAELO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1nnnn1CC(F)(F)F ZINC000190863082 396412519 /nfs/dbraw/zinc/41/25/19/396412519.db2.gz GLJPLXHIHGNOGC-HTQZYQBOSA-N 1 2 306.292 0.321 10 0 DCAELO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1nnnn1CC(F)(F)F ZINC000190863082 396412521 /nfs/dbraw/zinc/41/25/21/396412521.db2.gz GLJPLXHIHGNOGC-HTQZYQBOSA-N 1 2 306.292 0.321 10 0 DCAELO CN1CCC[N@H+](CC(=O)NC(=O)NCc2ccccc2)CC1=O ZINC000191145831 396416003 /nfs/dbraw/zinc/41/60/03/396416003.db2.gz LNSCJOWPXUMHBK-UHFFFAOYSA-N 1 2 318.377 0.177 10 0 DCAELO CN1CCC[N@@H+](CC(=O)NC(=O)NCc2ccccc2)CC1=O ZINC000191145831 396416006 /nfs/dbraw/zinc/41/60/06/396416006.db2.gz LNSCJOWPXUMHBK-UHFFFAOYSA-N 1 2 318.377 0.177 10 0 DCAELO Cc1ccc(C[C@@H](CO)NC(=O)NC[C@H]2C[N@H+](C)CCO2)cc1 ZINC000188045362 396378571 /nfs/dbraw/zinc/37/85/71/396378571.db2.gz QIVPRWVCXYCUTC-HOTGVXAUSA-N 1 2 321.421 0.528 10 0 DCAELO Cc1ccc(C[C@@H](CO)NC(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000188045362 396378577 /nfs/dbraw/zinc/37/85/77/396378577.db2.gz QIVPRWVCXYCUTC-HOTGVXAUSA-N 1 2 321.421 0.528 10 0 DCAELO Cc1cc(C)nc(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000193283765 396448371 /nfs/dbraw/zinc/44/83/71/396448371.db2.gz DNPCDHUKIYVUMD-LBPRGKRZSA-N 1 2 306.366 0.084 10 0 DCAELO Cc1cc(C)nc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000193283765 396448375 /nfs/dbraw/zinc/44/83/75/396448375.db2.gz DNPCDHUKIYVUMD-LBPRGKRZSA-N 1 2 306.366 0.084 10 0 DCAELO COc1cc(C[N@@H+]2CCN3CCOC[C@H]3C2)cc2c1OCO2 ZINC000371888073 396479372 /nfs/dbraw/zinc/47/93/72/396479372.db2.gz LZHGRGYFMWTMFE-CYBMUJFWSA-N 1 2 306.362 0.940 10 0 DCAELO COc1cc(C[N@H+]2CCN3CCOC[C@H]3C2)cc2c1OCO2 ZINC000371888073 396479374 /nfs/dbraw/zinc/47/93/74/396479374.db2.gz LZHGRGYFMWTMFE-CYBMUJFWSA-N 1 2 306.362 0.940 10 0 DCAELO O=C(c1ccc(-c2nc(=O)o[nH]2)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000329488379 396845279 /nfs/dbraw/zinc/84/52/79/396845279.db2.gz ULBGJFVSRBMODL-CYBMUJFWSA-N 1 2 314.345 0.950 10 0 DCAELO O=C(c1ccc(-c2nc(=O)o[nH]2)cc1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000329488379 396845283 /nfs/dbraw/zinc/84/52/83/396845283.db2.gz ULBGJFVSRBMODL-CYBMUJFWSA-N 1 2 314.345 0.950 10 0 DCAELO Cc1cnc(C)c(N2CCO[C@H](C[NH+]3CCN(C)CC3)C2)n1 ZINC000375987684 396857549 /nfs/dbraw/zinc/85/75/49/396857549.db2.gz VRVCUXLONSITFC-OAHLLOKOSA-N 1 2 305.426 0.546 10 0 DCAELO Cc1cnn(CCN2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)c1 ZINC000592418897 397171556 /nfs/dbraw/zinc/17/15/56/397171556.db2.gz FAKYOBWOFKMLJK-AWEZNQCLSA-N 1 2 305.426 0.476 10 0 DCAELO CCOC(=O)c1csc(C[N@@H+]2C[C@H](OC)C[C@H]2CO)n1 ZINC000381085129 397270712 /nfs/dbraw/zinc/27/07/12/397270712.db2.gz VTVQMWMIHDWJQM-VHSXEESVSA-N 1 2 300.380 0.901 10 0 DCAELO CCOC(=O)c1csc(C[N@H+]2C[C@H](OC)C[C@H]2CO)n1 ZINC000381085129 397270716 /nfs/dbraw/zinc/27/07/16/397270716.db2.gz VTVQMWMIHDWJQM-VHSXEESVSA-N 1 2 300.380 0.901 10 0 DCAELO C[C@@H]1CCN(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)C1 ZINC000407950551 397334156 /nfs/dbraw/zinc/33/41/56/397334156.db2.gz ALGXCTZTZMYTRP-CQSZACIVSA-N 1 2 322.453 0.982 10 0 DCAELO C[C@H](Oc1ccccn1)C(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000428189556 397408995 /nfs/dbraw/zinc/40/89/95/397408995.db2.gz BQINDGVBKDXDHG-BFHYXJOUSA-N 1 2 305.378 0.780 10 0 DCAELO C[C@H](Oc1ccccn1)C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000428189556 397409001 /nfs/dbraw/zinc/40/90/01/397409001.db2.gz BQINDGVBKDXDHG-BFHYXJOUSA-N 1 2 305.378 0.780 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3cccc(NC(N)=O)c3)C[C@@H]21 ZINC000370682310 397514597 /nfs/dbraw/zinc/51/45/97/397514597.db2.gz FFPSYZVQQGFQPI-QWHCGFSZSA-N 1 2 304.350 0.332 10 0 DCAELO C[N@H+]1CCO[C@@H]2CN(C(=O)c3cccc(NC(N)=O)c3)C[C@@H]21 ZINC000370682310 397514600 /nfs/dbraw/zinc/51/46/00/397514600.db2.gz FFPSYZVQQGFQPI-QWHCGFSZSA-N 1 2 304.350 0.332 10 0 DCAELO CC(C)[C@@H](NS(C)(=O)=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603883618 397624861 /nfs/dbraw/zinc/62/48/61/397624861.db2.gz GYAJEKQULRWOMJ-GFCCVEGCSA-N 1 2 310.379 0.847 10 0 DCAELO COCCN1C[C@@H](C(=O)Nc2ccc3[nH+]ccn3c2)CC1=O ZINC000603885050 397625640 /nfs/dbraw/zinc/62/56/40/397625640.db2.gz OJENGEOYTYAJBA-NSHDSACASA-N 1 2 302.334 0.768 10 0 DCAELO CCOC(=O)C1(C(=O)N2CCN(Cc3[nH+]ccn3C)CC2)CC1 ZINC000610426837 397820156 /nfs/dbraw/zinc/82/01/56/397820156.db2.gz ZHHCKTQVXABZFY-UHFFFAOYSA-N 1 2 320.393 0.408 10 0 DCAELO CCOCCS(=O)(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000173897141 286117375 /nfs/dbraw/zinc/11/73/75/286117375.db2.gz RRDMZRXQVXAZNZ-AWEZNQCLSA-N 1 2 320.455 0.539 10 0 DCAELO C[C@@H]1CCCN(S(=O)(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000066104073 158034460 /nfs/dbraw/zinc/03/44/60/158034460.db2.gz NTMWLRMJDYBFFR-CYBMUJFWSA-N 1 2 305.444 0.227 10 0 DCAELO C[C@@H]1COC[C@H](C)[N@H+]1CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000077365977 158067751 /nfs/dbraw/zinc/06/77/51/158067751.db2.gz YOTZNDKRHNYWHO-BETUJISGSA-N 1 2 309.410 0.176 10 0 DCAELO C[C@@H]1COC[C@H](C)[N@@H+]1CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000077365977 158067754 /nfs/dbraw/zinc/06/77/54/158067754.db2.gz YOTZNDKRHNYWHO-BETUJISGSA-N 1 2 309.410 0.176 10 0 DCAELO CC[C@H](C)C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000109896733 158138640 /nfs/dbraw/zinc/13/86/40/158138640.db2.gz USMYAAADAMERTK-KBPBESRZSA-N 1 2 311.426 0.424 10 0 DCAELO CCN1C[C@@H](C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CC1=O ZINC000110956113 158138871 /nfs/dbraw/zinc/13/88/71/158138871.db2.gz PBEZDXHWKDEONL-LSDHHAIUSA-N 1 2 323.437 0.568 10 0 DCAELO C[C@@H](C(=O)NC1CCCC1)[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116889256 158167710 /nfs/dbraw/zinc/16/77/10/158167710.db2.gz JHUJBAWSBUCSEY-JQWIXIFHSA-N 1 2 303.428 0.057 10 0 DCAELO C[C@@H](C(=O)NC1CCCC1)[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116889256 158167711 /nfs/dbraw/zinc/16/77/11/158167711.db2.gz JHUJBAWSBUCSEY-JQWIXIFHSA-N 1 2 303.428 0.057 10 0 DCAELO C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116994991 158169015 /nfs/dbraw/zinc/16/90/15/158169015.db2.gz VLXMTKDZDPZSJK-RYUDHWBXSA-N 1 2 303.428 0.011 10 0 DCAELO C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116994991 158169017 /nfs/dbraw/zinc/16/90/17/158169017.db2.gz VLXMTKDZDPZSJK-RYUDHWBXSA-N 1 2 303.428 0.011 10 0 DCAELO Cn1cc(C(N)=O)cc1C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000121027712 158207008 /nfs/dbraw/zinc/20/70/08/158207008.db2.gz HTRGNLLLSJFASW-ZDUSSCGKSA-N 1 2 320.393 0.061 10 0 DCAELO C[C@@H]1CN(C[C@H](O)C[NH+]2CCOCC2)c2ccccc2NC1=O ZINC000126608447 158266117 /nfs/dbraw/zinc/26/61/17/158266117.db2.gz UBKZTAFMTWTEOU-ZIAGYGMSSA-N 1 2 319.405 0.774 10 0 DCAELO COCCN1C[C@H](C(=O)NCc2[nH+]ccn2CC(C)C)CC1=O ZINC000131494163 158303092 /nfs/dbraw/zinc/30/30/92/158303092.db2.gz SZLNTZVAXLHDME-CYBMUJFWSA-N 1 2 322.409 0.650 10 0 DCAELO Cc1nc(CCNC(=O)NC[C@@H]2C[N@H+](C)CCO2)sc1C ZINC000132421552 158310206 /nfs/dbraw/zinc/31/02/06/158310206.db2.gz XPRNAGKEUAEDLY-GFCCVEGCSA-N 1 2 312.439 0.932 10 0 DCAELO Cc1nc(CCNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)sc1C ZINC000132421552 158310209 /nfs/dbraw/zinc/31/02/09/158310209.db2.gz XPRNAGKEUAEDLY-GFCCVEGCSA-N 1 2 312.439 0.932 10 0 DCAELO C[C@@H](CNC(=O)N1C[C@H]2CCC[C@@H](C1)C2O)[NH+]1CCOCC1 ZINC000172121248 158390993 /nfs/dbraw/zinc/39/09/93/158390993.db2.gz SYSOQKIMLZSTSP-RDGKXADDSA-N 1 2 311.426 0.510 10 0 DCAELO O=C(CNC(=O)c1ccccc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172751925 158398573 /nfs/dbraw/zinc/39/85/73/158398573.db2.gz UUPLKDPVVWODAB-HNNXBMFYSA-N 1 2 317.389 0.350 10 0 DCAELO Cc1nn(C)c(C)c1CCC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172750911 158398626 /nfs/dbraw/zinc/39/86/26/158398626.db2.gz DSTYVQMAWLOKOZ-OAHLLOKOSA-N 1 2 320.437 0.903 10 0 DCAELO CC(C)CC(=O)NCCC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172745779 158398933 /nfs/dbraw/zinc/39/89/33/158398933.db2.gz UYPXZEDTHSFZGE-CQSZACIVSA-N 1 2 311.426 0.472 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC(c3cccnc3)=NO2)C1 ZINC000190746268 158562801 /nfs/dbraw/zinc/56/28/01/158562801.db2.gz LLIUZLWVDRYIOR-OCCSQVGLSA-N 1 2 304.350 0.021 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC(c3cccnc3)=NO2)C1 ZINC000190746268 158562802 /nfs/dbraw/zinc/56/28/02/158562802.db2.gz LLIUZLWVDRYIOR-OCCSQVGLSA-N 1 2 304.350 0.021 10 0 DCAELO O=C(N[C@H]1CCCN(c2cccnn2)C1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263311356 158871359 /nfs/dbraw/zinc/87/13/59/158871359.db2.gz YSRVALJLSMPBJN-WDEREUQCSA-N 1 2 311.336 0.559 10 0 DCAELO Cc1nnc([C@H]2CCCCN2C[C@@H](O)C[NH+]2CCOCC2)[nH]1 ZINC000328636539 159016458 /nfs/dbraw/zinc/01/64/58/159016458.db2.gz CLWJPDYOMJERCT-UONOGXRCSA-N 1 2 309.414 0.333 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(S(=O)(=O)C[C@@H]3CCCCO3)C[C@@H]21 ZINC000328812871 159031705 /nfs/dbraw/zinc/03/17/05/159031705.db2.gz BOGZCUGRARYSBR-MELADBBJSA-N 1 2 318.439 0.290 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(S(=O)(=O)C[C@@H]3CCCCO3)C[C@@H]21 ZINC000328812871 159031707 /nfs/dbraw/zinc/03/17/07/159031707.db2.gz BOGZCUGRARYSBR-MELADBBJSA-N 1 2 318.439 0.290 10 0 DCAELO CO[C@H]1C[C@@H](C(=O)Nc2ccnn2C[C@H]2CCOC2)[N@H+](C)C1 ZINC000328968135 159047904 /nfs/dbraw/zinc/04/79/04/159047904.db2.gz UALVNDJAJISBJA-AGIUHOORSA-N 1 2 308.382 0.577 10 0 DCAELO CO[C@H]1C[C@@H](C(=O)Nc2ccnn2C[C@H]2CCOC2)[N@@H+](C)C1 ZINC000328968135 159047906 /nfs/dbraw/zinc/04/79/06/159047906.db2.gz UALVNDJAJISBJA-AGIUHOORSA-N 1 2 308.382 0.577 10 0 DCAELO C[C@@H]1C[C@H](S(=O)(=O)NCC(C)(C)[NH+]2CCOCC2)CCO1 ZINC000329596749 159105915 /nfs/dbraw/zinc/10/59/15/159105915.db2.gz PGRKITHQCZREIS-CHWSQXEVSA-N 1 2 320.455 0.584 10 0 DCAELO COc1cccc(CC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)n1 ZINC000330137824 159144813 /nfs/dbraw/zinc/14/48/13/159144813.db2.gz VDZISUKEXSDZSQ-AWEZNQCLSA-N 1 2 305.378 0.566 10 0 DCAELO O=C1N[C@@]2(CCOC2)C(=O)N1C1CCN(c2cccc[nH+]2)CC1 ZINC000330280064 159156223 /nfs/dbraw/zinc/15/62/23/159156223.db2.gz RYMPSTRYIWCWSL-MRXNPFEDSA-N 1 2 316.361 0.966 10 0 DCAELO C[C@H]([C@H](C)NC(=O)N1CCO[C@@H](C2CC2)C1)[NH+]1CCOCC1 ZINC000332968095 159218033 /nfs/dbraw/zinc/21/80/33/159218033.db2.gz RQYIDXSDYZIPPR-GZBFAFLISA-N 1 2 311.426 0.916 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCC(=O)NC(C)(C)C)C[C@@H]21 ZINC000408016050 160012257 /nfs/dbraw/zinc/01/22/57/160012257.db2.gz HIHBBNGYAIKJIO-NWDGAFQWSA-N 1 2 312.414 0.016 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCC(=O)NC(C)(C)C)C[C@@H]21 ZINC000408016050 160012260 /nfs/dbraw/zinc/01/22/60/160012260.db2.gz HIHBBNGYAIKJIO-NWDGAFQWSA-N 1 2 312.414 0.016 10 0 DCAELO C[C@H](CCNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1)[S@](C)=O ZINC000408023924 160014770 /nfs/dbraw/zinc/01/47/70/160014770.db2.gz WMGVBRUFXHSFFS-WBSWQSFASA-N 1 2 317.455 0.258 10 0 DCAELO C[C@H](CCNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1)[S@](C)=O ZINC000408023924 160014772 /nfs/dbraw/zinc/01/47/72/160014772.db2.gz WMGVBRUFXHSFFS-WBSWQSFASA-N 1 2 317.455 0.258 10 0 DCAELO COc1ccc(O)cc1C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000408028355 160015585 /nfs/dbraw/zinc/01/55/85/160015585.db2.gz DAGZTVOEZWLRLW-ZFWWWQNUSA-N 1 2 306.362 0.946 10 0 DCAELO COc1ccc(O)cc1C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000408028355 160015586 /nfs/dbraw/zinc/01/55/86/160015586.db2.gz DAGZTVOEZWLRLW-ZFWWWQNUSA-N 1 2 306.362 0.946 10 0 DCAELO O=C(C[N@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O)N1CCOCC1 ZINC000408043032 160020193 /nfs/dbraw/zinc/02/01/93/160020193.db2.gz IYRXTPOUTNFOPB-ZNMIVQPWSA-N 1 2 312.410 0.097 10 0 DCAELO O=C(C[N@@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O)N1CCOCC1 ZINC000408043032 160020194 /nfs/dbraw/zinc/02/01/94/160020194.db2.gz IYRXTPOUTNFOPB-ZNMIVQPWSA-N 1 2 312.410 0.097 10 0 DCAELO CCS(=O)(=O)NCC[N@@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000408046535 160022104 /nfs/dbraw/zinc/02/21/04/160022104.db2.gz XDXPLBZHKGEIGT-BFHYXJOUSA-N 1 2 320.455 0.178 10 0 DCAELO CCS(=O)(=O)NCC[N@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000408046535 160022108 /nfs/dbraw/zinc/02/21/08/160022108.db2.gz XDXPLBZHKGEIGT-BFHYXJOUSA-N 1 2 320.455 0.178 10 0 DCAELO C[C@@H]1CN(C(=O)c2cnc(N(C)C)cn2)C[C@@H]1[NH+]1CCOCC1 ZINC000408080586 160031465 /nfs/dbraw/zinc/03/14/65/160031465.db2.gz NXHMUUBPFVHLCF-OCCSQVGLSA-N 1 2 319.409 0.335 10 0 DCAELO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)o1 ZINC000408099972 160035502 /nfs/dbraw/zinc/03/55/02/160035502.db2.gz ZRRCKYRVSSQGEF-WDEREUQCSA-N 1 2 302.396 0.664 10 0 DCAELO Cc1ccc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)o1 ZINC000408099972 160035504 /nfs/dbraw/zinc/03/55/04/160035504.db2.gz ZRRCKYRVSSQGEF-WDEREUQCSA-N 1 2 302.396 0.664 10 0 DCAELO Cc1oc(S(N)(=O)=O)cc1C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000408116726 160039774 /nfs/dbraw/zinc/03/97/74/160039774.db2.gz ZKOSIOHFVOVXBL-QMMMGPOBSA-N 1 2 301.368 0.012 10 0 DCAELO Cc1oc(S(N)(=O)=O)cc1C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000408116726 160039775 /nfs/dbraw/zinc/03/97/75/160039775.db2.gz ZKOSIOHFVOVXBL-QMMMGPOBSA-N 1 2 301.368 0.012 10 0 DCAELO CC(C)CN(C)S(=O)(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000408139576 160045646 /nfs/dbraw/zinc/04/56/46/160045646.db2.gz OUZUBQOZQYJMNY-CYBMUJFWSA-N 1 2 305.444 0.272 10 0 DCAELO CC(C)CN(C)S(=O)(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000408139576 160045648 /nfs/dbraw/zinc/04/56/48/160045648.db2.gz OUZUBQOZQYJMNY-CYBMUJFWSA-N 1 2 305.444 0.272 10 0 DCAELO C[C@@H]1C[C@@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)CC(=O)N1 ZINC000408166962 160050988 /nfs/dbraw/zinc/05/09/88/160050988.db2.gz VLYFLZYBQMSLDW-CHWSQXEVSA-N 1 2 302.378 0.645 10 0 DCAELO C[C@@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000408184352 160055465 /nfs/dbraw/zinc/05/54/65/160055465.db2.gz BFOFVJKQGADOFE-NEPJUHHUSA-N 1 2 314.411 0.184 10 0 DCAELO CC[C@@H]1C[C@H](C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)CC(=O)N1 ZINC000408201367 160058054 /nfs/dbraw/zinc/05/80/54/160058054.db2.gz DWOHZQICGZBHTO-XQLPTFJDSA-N 1 2 323.437 0.470 10 0 DCAELO O=C(C[N@H+]1CCC[C@](O)(C(F)(F)F)C1)NC1CCOCC1 ZINC000408215869 160061451 /nfs/dbraw/zinc/06/14/51/160061451.db2.gz AVHDZZYZGDTEDV-GFCCVEGCSA-N 1 2 310.316 0.671 10 0 DCAELO O=C(C[N@@H+]1CCC[C@](O)(C(F)(F)F)C1)NC1CCOCC1 ZINC000408215869 160061452 /nfs/dbraw/zinc/06/14/52/160061452.db2.gz AVHDZZYZGDTEDV-GFCCVEGCSA-N 1 2 310.316 0.671 10 0 DCAELO CNC(=O)N[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)C1 ZINC000408258142 160070765 /nfs/dbraw/zinc/07/07/65/160070765.db2.gz VEJSPTJTZBLZGN-IGQOVBAYSA-N 1 2 310.442 0.931 10 0 DCAELO CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)C1 ZINC000408258142 160070766 /nfs/dbraw/zinc/07/07/66/160070766.db2.gz VEJSPTJTZBLZGN-IGQOVBAYSA-N 1 2 310.442 0.931 10 0 DCAELO Cc1noc([C@H]2C[C@@H](O)CN2C(=O)Nc2cc[nH+]c(C)c2)n1 ZINC000408391657 160098493 /nfs/dbraw/zinc/09/84/93/160098493.db2.gz CJBHKLJHQJGBAF-VXGBXAGGSA-N 1 2 303.322 0.843 10 0 DCAELO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H](C)Oc1cccc(CO)c1 ZINC000136033530 287025188 /nfs/dbraw/zinc/02/51/88/287025188.db2.gz FOSDADIHRUXDOE-KGLIPLIRSA-N 1 2 322.405 0.783 10 0 DCAELO CCCC[C@@H](NC(=O)NCC)C(=O)N1CC[NH+](CCO)CC1 ZINC000137560400 287028479 /nfs/dbraw/zinc/02/84/79/287028479.db2.gz XUOCVYJXNCBMOD-CYBMUJFWSA-N 1 2 314.430 0.001 10 0 DCAELO C[C@H]1C[N@@H+]([C@@H](C(=O)N(C)C)c2ccccc2)CCN1CCO ZINC000249589959 287115435 /nfs/dbraw/zinc/11/54/35/287115435.db2.gz VBQITSUSLPCIAM-GOEBONIOSA-N 1 2 305.422 0.814 10 0 DCAELO C[C@H]1C[N@H+]([C@@H](C(=O)N(C)C)c2ccccc2)CCN1CCO ZINC000249589959 287115438 /nfs/dbraw/zinc/11/54/38/287115438.db2.gz VBQITSUSLPCIAM-GOEBONIOSA-N 1 2 305.422 0.814 10 0 DCAELO CC[C@@H]1C[N@H+](C[C@@H](C)CS(C)(=O)=O)C[C@@]2(CCOC2)O1 ZINC000373804203 287196994 /nfs/dbraw/zinc/19/69/94/287196994.db2.gz GZZKANDILGSBPV-MGPQQGTHSA-N 1 2 305.440 0.937 10 0 DCAELO CC[C@@H]1C[N@@H+](C[C@@H](C)CS(C)(=O)=O)C[C@@]2(CCOC2)O1 ZINC000373804203 287196995 /nfs/dbraw/zinc/19/69/95/287196995.db2.gz GZZKANDILGSBPV-MGPQQGTHSA-N 1 2 305.440 0.937 10 0 DCAELO CC(C)N1CC[NH+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000085785183 415503898 /nfs/dbraw/zinc/50/38/98/415503898.db2.gz UKZVCDPMSROUJS-AWEZNQCLSA-N 1 2 303.472 0.684 10 0 DCAELO CC[C@H](CO)N1CC[NH+](C[C@@H](O)COCc2ccco2)CC1 ZINC000075963008 415451591 /nfs/dbraw/zinc/45/15/91/415451591.db2.gz FPRXCESYAHZHIT-HUUCEWRRSA-N 1 2 312.410 0.546 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)NCCc3cnccn3)C[C@H]21 ZINC000332751268 415461236 /nfs/dbraw/zinc/46/12/36/415461236.db2.gz BVDKJDOJRAYGHT-KGLIPLIRSA-N 1 2 305.382 0.134 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)NCCc3cnccn3)C[C@H]21 ZINC000332751268 415461248 /nfs/dbraw/zinc/46/12/48/415461248.db2.gz BVDKJDOJRAYGHT-KGLIPLIRSA-N 1 2 305.382 0.134 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)NCC3(C)CCOCC3)C[C@@H]21 ZINC000332758777 415464057 /nfs/dbraw/zinc/46/40/57/415464057.db2.gz OMGMSXBUIYUZJH-KBPBESRZSA-N 1 2 311.426 0.918 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)NCC3(C)CCOCC3)C[C@@H]21 ZINC000332758777 415464064 /nfs/dbraw/zinc/46/40/64/415464064.db2.gz OMGMSXBUIYUZJH-KBPBESRZSA-N 1 2 311.426 0.918 10 0 DCAELO CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(C(=O)OC)o2)C1 ZINC000107699811 415673560 /nfs/dbraw/zinc/67/35/60/415673560.db2.gz NQYVOAGTNHGVBT-JTQLQIEISA-N 1 2 316.379 0.829 10 0 DCAELO CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc(C(=O)OC)o2)C1 ZINC000107699811 415673564 /nfs/dbraw/zinc/67/35/64/415673564.db2.gz NQYVOAGTNHGVBT-JTQLQIEISA-N 1 2 316.379 0.829 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)NCC[S@@](=O)C(C)(C)C)C1 ZINC000116955835 415731251 /nfs/dbraw/zinc/73/12/51/415731251.db2.gz KTPSUSMUYMMZRS-YBTHPKLGSA-N 1 2 305.444 0.163 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)NCC[S@@](=O)C(C)(C)C)C1 ZINC000116955835 415731256 /nfs/dbraw/zinc/73/12/56/415731256.db2.gz KTPSUSMUYMMZRS-YBTHPKLGSA-N 1 2 305.444 0.163 10 0 DCAELO O=C(C[N@@H+]1C[C@H](O)C[C@H]1c1cccc(F)c1)N1CCNC1=O ZINC000343750735 415708048 /nfs/dbraw/zinc/70/80/48/415708048.db2.gz ABWGSZKCUFYYLX-OLZOCXBDSA-N 1 2 307.325 0.485 10 0 DCAELO O=C(C[N@H+]1C[C@H](O)C[C@H]1c1cccc(F)c1)N1CCNC1=O ZINC000343750735 415708056 /nfs/dbraw/zinc/70/80/56/415708056.db2.gz ABWGSZKCUFYYLX-OLZOCXBDSA-N 1 2 307.325 0.485 10 0 DCAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)CN1CSCC1=O)C2 ZINC000112668884 415713959 /nfs/dbraw/zinc/71/39/59/415713959.db2.gz VKQDLWBOOFFWPE-UHFFFAOYSA-N 1 2 322.434 0.961 10 0 DCAELO O=C(/C=C/c1ccc(O)cc1)NC[C@H](O)C[NH+]1CCOCC1 ZINC000122254541 415829877 /nfs/dbraw/zinc/82/98/77/415829877.db2.gz UANVCJAIPPXBGX-VFQAQYNWSA-N 1 2 306.362 0.215 10 0 DCAELO CC(=O)N1CC[C@@H](NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)C1 ZINC000120837669 415785135 /nfs/dbraw/zinc/78/51/35/415785135.db2.gz HQYCZRSXAFQYFT-ZIAGYGMSSA-N 1 2 305.382 0.678 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2ccnc(OCC(F)F)c2)C1 ZINC000121747400 415817145 /nfs/dbraw/zinc/81/71/45/415817145.db2.gz MZNUGMXKIZEHAY-NSHDSACASA-N 1 2 315.320 0.786 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)c2ccnc(OCC(F)F)c2)C1 ZINC000121747400 415817150 /nfs/dbraw/zinc/81/71/50/415817150.db2.gz MZNUGMXKIZEHAY-NSHDSACASA-N 1 2 315.320 0.786 10 0 DCAELO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000134297599 415956501 /nfs/dbraw/zinc/95/65/01/415956501.db2.gz XAPDEFWZAGNMMU-QWHCGFSZSA-N 1 2 305.426 0.582 10 0 DCAELO Cc1cc(F)cc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCOCC2)c1 ZINC000153131258 415975674 /nfs/dbraw/zinc/97/56/74/415975674.db2.gz UVCVUSASCZOAMN-GFCCVEGCSA-N 1 2 323.368 0.910 10 0 DCAELO CNC(=O)c1cccc(C(=O)NC[C@@H](C)[NH+]2CCOCC2)c1 ZINC000173067483 416052312 /nfs/dbraw/zinc/05/23/12/416052312.db2.gz AVYDCZUQXOEKLB-GFCCVEGCSA-N 1 2 305.378 0.497 10 0 DCAELO C[C@@H]1CN(C(=O)COC[C@@H]2CCOC2)C[C@H]1[NH+]1CCOCC1 ZINC000173821598 416066012 /nfs/dbraw/zinc/06/60/12/416066012.db2.gz IPFBGEVGOFPSER-RBSFLKMASA-N 1 2 312.410 0.219 10 0 DCAELO C[C@H](CN1CCCC1=O)NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173892098 416066812 /nfs/dbraw/zinc/06/68/12/416066812.db2.gz WRXYQZHKGWBWNR-KGLIPLIRSA-N 1 2 324.425 0.113 10 0 DCAELO C[C@H](CN1CCCC1=O)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173892185 416068519 /nfs/dbraw/zinc/06/85/19/416068519.db2.gz WRXYQZHKGWBWNR-ZIAGYGMSSA-N 1 2 324.425 0.113 10 0 DCAELO Cn1c(C[N@@H+]2CCC[C@H]2CN2CCOCC2)nnc1C1CC1 ZINC000174015905 416072202 /nfs/dbraw/zinc/07/22/02/416072202.db2.gz ZDZLKQSNYNJGKB-AWEZNQCLSA-N 1 2 305.426 0.989 10 0 DCAELO Cn1c(C[N@H+]2CCC[C@H]2CN2CCOCC2)nnc1C1CC1 ZINC000174015905 416072204 /nfs/dbraw/zinc/07/22/04/416072204.db2.gz ZDZLKQSNYNJGKB-AWEZNQCLSA-N 1 2 305.426 0.989 10 0 DCAELO CCc1nc(C2(NC[C@H](O)C[NH+]3CCOCC3)CCCC2)no1 ZINC000174236365 416075473 /nfs/dbraw/zinc/07/54/73/416075473.db2.gz XVRUTXFKMCGNHF-ZDUSSCGKSA-N 1 2 324.425 0.684 10 0 DCAELO CCc1nc(C2([NH2+]C[C@H](O)CN3CCOCC3)CCCC2)no1 ZINC000174236365 416075474 /nfs/dbraw/zinc/07/54/74/416075474.db2.gz XVRUTXFKMCGNHF-ZDUSSCGKSA-N 1 2 324.425 0.684 10 0 DCAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)CC(=O)N(C)C)CC1 ZINC000174875699 416089065 /nfs/dbraw/zinc/08/90/65/416089065.db2.gz CMOQQEFPHGFDLO-UHFFFAOYSA-N 1 2 321.425 0.159 10 0 DCAELO CC(C)Cn1cnc(S(=O)(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000174993035 416092191 /nfs/dbraw/zinc/09/21/91/416092191.db2.gz IDFSHRJENWOLTR-LBPRGKRZSA-N 1 2 316.427 0.148 10 0 DCAELO CC(C)Cn1cnc(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000174993035 416092195 /nfs/dbraw/zinc/09/21/95/416092195.db2.gz IDFSHRJENWOLTR-LBPRGKRZSA-N 1 2 316.427 0.148 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)Nc2ccc([S@](C)=O)cc2)C1 ZINC000175760217 416113270 /nfs/dbraw/zinc/11/32/70/416113270.db2.gz OALJZWZGONYPKB-QKVFXAPYSA-N 1 2 311.407 0.876 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)Nc2ccc([S@](C)=O)cc2)C1 ZINC000175760217 416113275 /nfs/dbraw/zinc/11/32/75/416113275.db2.gz OALJZWZGONYPKB-QKVFXAPYSA-N 1 2 311.407 0.876 10 0 DCAELO CS(=O)(=O)CC1(CC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000176671820 416131150 /nfs/dbraw/zinc/13/11/50/416131150.db2.gz LHMSBTNDJGZFJL-CYBMUJFWSA-N 1 2 314.451 0.898 10 0 DCAELO CS(=O)(=O)CC1(CC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC000176671820 416131151 /nfs/dbraw/zinc/13/11/51/416131151.db2.gz LHMSBTNDJGZFJL-CYBMUJFWSA-N 1 2 314.451 0.898 10 0 DCAELO CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000328868451 416136528 /nfs/dbraw/zinc/13/65/28/416136528.db2.gz HGPRVGDCJWEHRE-KFWWJZLASA-N 1 2 323.437 0.565 10 0 DCAELO CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000328868451 416136531 /nfs/dbraw/zinc/13/65/31/416136531.db2.gz HGPRVGDCJWEHRE-KFWWJZLASA-N 1 2 323.437 0.565 10 0 DCAELO CN1CC[C@@H](Nc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)C1=O ZINC000301339021 416081264 /nfs/dbraw/zinc/08/12/64/416081264.db2.gz DGTIERDOWDDCEO-VXGBXAGGSA-N 1 2 305.382 0.328 10 0 DCAELO CN1CC[C@@H](Nc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)C1=O ZINC000301339021 416081268 /nfs/dbraw/zinc/08/12/68/416081268.db2.gz DGTIERDOWDDCEO-VXGBXAGGSA-N 1 2 305.382 0.328 10 0 DCAELO Cc1nn(C)c(Cl)c1/C=C/C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178611768 416166179 /nfs/dbraw/zinc/16/61/79/416166179.db2.gz ROQFFRPSDSLTSG-AAOUONPWSA-N 1 2 323.828 0.511 10 0 DCAELO CCc1cccc(NC(=O)C(=O)NC[C@H]2C[NH+]3CCN2CC3)c1 ZINC000178963349 416179441 /nfs/dbraw/zinc/17/94/41/416179441.db2.gz VBPWYDXUYQNZHQ-HNNXBMFYSA-N 1 2 316.405 0.304 10 0 DCAELO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C[C@H]1CCS(=O)(=O)C1 ZINC000329659519 416184433 /nfs/dbraw/zinc/18/44/33/416184433.db2.gz OCHBWIMLLMEKLW-MGPQQGTHSA-N 1 2 314.451 0.896 10 0 DCAELO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C[C@H]1CCS(=O)(=O)C1 ZINC000329659519 416184435 /nfs/dbraw/zinc/18/44/35/416184435.db2.gz OCHBWIMLLMEKLW-MGPQQGTHSA-N 1 2 314.451 0.896 10 0 DCAELO CC1=CC[N@H+](CCNC(=O)N[C@H](C)CS(C)(=O)=O)CC1 ZINC000358188683 416207675 /nfs/dbraw/zinc/20/76/75/416207675.db2.gz LLLBJRAZQNTVQZ-GFCCVEGCSA-N 1 2 303.428 0.371 10 0 DCAELO CC1=CC[N@@H+](CCNC(=O)N[C@H](C)CS(C)(=O)=O)CC1 ZINC000358188683 416207676 /nfs/dbraw/zinc/20/76/76/416207676.db2.gz LLLBJRAZQNTVQZ-GFCCVEGCSA-N 1 2 303.428 0.371 10 0 DCAELO Cc1cc(N2CCC[C@@H]([NH2+]Cc3csnn3)C2=O)n(C)n1 ZINC000182483956 416223917 /nfs/dbraw/zinc/22/39/17/416223917.db2.gz CUEPKCNSLAEKDX-LLVKDONJSA-N 1 2 306.395 0.865 10 0 DCAELO CCOC(=O)c1cn(C)nc1NC(=O)NCCn1cc[nH+]c1 ZINC000182788234 416230797 /nfs/dbraw/zinc/23/07/97/416230797.db2.gz BBZBBEPQFRJOBX-UHFFFAOYSA-N 1 2 306.326 0.615 10 0 DCAELO CCN(CC(=O)NCc1ccc(F)cc1)C(=O)[C@H]1COCC[NH2+]1 ZINC000178413095 416163437 /nfs/dbraw/zinc/16/34/37/416163437.db2.gz FZEQHNFCFSVMMQ-CQSZACIVSA-N 1 2 323.368 0.279 10 0 DCAELO Cc1oc2nc[nH]c(=O)c2c1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000195131168 416325299 /nfs/dbraw/zinc/32/52/99/416325299.db2.gz JPOQJBABNVYVSK-UHFFFAOYSA-N 1 2 302.334 0.745 10 0 DCAELO C[N@@H+](Cc1n[nH]c(=O)[nH]1)C[C@@H]1C[C@H](F)CN1Cc1cncnc1 ZINC000583621896 416480629 /nfs/dbraw/zinc/48/06/29/416480629.db2.gz NCUHXDOXCGQDGO-RYUDHWBXSA-N 1 2 321.360 0.345 10 0 DCAELO C[N@H+](Cc1n[nH]c(=O)[nH]1)C[C@@H]1C[C@H](F)CN1Cc1cncnc1 ZINC000583621896 416480631 /nfs/dbraw/zinc/48/06/31/416480631.db2.gz NCUHXDOXCGQDGO-RYUDHWBXSA-N 1 2 321.360 0.345 10 0 DCAELO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2cn3cccnc3n2)C[C@H](C)O1 ZINC000584027905 416492699 /nfs/dbraw/zinc/49/26/99/416492699.db2.gz IKBSHXOKMSJQNW-BETUJISGSA-N 1 2 317.393 0.911 10 0 DCAELO C[C@@H]1C[N@H+](CCN(C)C(=O)c2cn3cccnc3n2)C[C@H](C)O1 ZINC000584027905 416492705 /nfs/dbraw/zinc/49/27/05/416492705.db2.gz IKBSHXOKMSJQNW-BETUJISGSA-N 1 2 317.393 0.911 10 0 DCAELO CCOC(=O)[C@H](C)NC(=O)[C@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000362669003 416569325 /nfs/dbraw/zinc/56/93/25/416569325.db2.gz SWQPAXVWEJOCPR-QWRGUYRKSA-N 1 2 320.393 1.531 10 0 DCAELO Nc1cccc([C@@H]2C[NH2+]CCN2S(=O)(=O)c2ccccc2)n1 ZINC000616604704 417084332 /nfs/dbraw/zinc/08/43/32/417084332.db2.gz MOBFEZUGARRVBG-AWEZNQCLSA-N 1 2 318.402 0.999 10 0 DCAELO Nc1cc([C@H]2C[NH2+]CCN2S(=O)(=O)c2ccccc2)ccn1 ZINC000616638009 417086073 /nfs/dbraw/zinc/08/60/73/417086073.db2.gz FGSORRBWYUTYCB-CQSZACIVSA-N 1 2 318.402 0.999 10 0 DCAELO CC(C)(C)OC(=O)NCC[N@@H+]1CCO[C@@H](c2nn[nH]n2)CC1 ZINC000616666130 417091166 /nfs/dbraw/zinc/09/11/66/417091166.db2.gz HVJRMACHCPUGCN-SNVBAGLBSA-N 1 2 312.374 0.488 10 0 DCAELO CC(C)(C)OC(=O)NCC[N@H+]1CCO[C@@H](c2nn[nH]n2)CC1 ZINC000616666130 417091174 /nfs/dbraw/zinc/09/11/74/417091174.db2.gz HVJRMACHCPUGCN-SNVBAGLBSA-N 1 2 312.374 0.488 10 0 DCAELO Cc1[nH+]c2ccc(C(=O)N3CC[C@H](NC(N)=O)C3)cc2n1C ZINC000527002784 417199413 /nfs/dbraw/zinc/19/94/13/417199413.db2.gz KAVGDGSQANLMTH-NSHDSACASA-N 1 2 301.350 0.765 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCO[C@@H](C(N)=O)C1)C2 ZINC000527240618 417226396 /nfs/dbraw/zinc/22/63/96/417226396.db2.gz QELWEMLRTLYGJP-GXFFZTMASA-N 1 2 320.393 0.351 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCO[C@@H](C(N)=O)C1)CC2 ZINC000527240618 417226404 /nfs/dbraw/zinc/22/64/04/417226404.db2.gz QELWEMLRTLYGJP-GXFFZTMASA-N 1 2 320.393 0.351 10 0 DCAELO CCOC(=O)[C@@H]1C[N@H+](CC(=O)Nc2cc(C)no2)CC12COC2 ZINC000451145858 417306260 /nfs/dbraw/zinc/30/62/60/417306260.db2.gz ZNQFHKIGBSTRQP-NSHDSACASA-N 1 2 323.349 0.433 10 0 DCAELO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)Nc2cc(C)no2)CC12COC2 ZINC000451145858 417306266 /nfs/dbraw/zinc/30/62/66/417306266.db2.gz ZNQFHKIGBSTRQP-NSHDSACASA-N 1 2 323.349 0.433 10 0 DCAELO CC(=O)N(C)c1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2C)cc1 ZINC000628921890 417728060 /nfs/dbraw/zinc/72/80/60/417728060.db2.gz MLYVFLZWMLJABK-OAHLLOKOSA-N 1 2 305.378 0.730 10 0 DCAELO CC(=O)N(C)c1ccc(C(=O)NC[C@@H]2COCC[N@H+]2C)cc1 ZINC000628921890 417728064 /nfs/dbraw/zinc/72/80/64/417728064.db2.gz MLYVFLZWMLJABK-OAHLLOKOSA-N 1 2 305.378 0.730 10 0 DCAELO COC(=O)[C@@H]([NH2+]CCNC(=O)c1cccc(OC)c1)C1CC1 ZINC000358845221 261706038 /nfs/dbraw/zinc/70/60/38/261706038.db2.gz FUUATVGIRICBKX-AWEZNQCLSA-N 1 2 306.362 0.966 10 0 DCAELO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+]([C@H]2CCN(C(C)C)C2=O)C1 ZINC000370865400 262154978 /nfs/dbraw/zinc/15/49/78/262154978.db2.gz RZKKABHJIILGIB-STQMWFEESA-N 1 2 317.455 0.398 10 0 DCAELO CC(C)NS(=O)(=O)[C@H]1CC[N@H+]([C@H]2CCN(C(C)C)C2=O)C1 ZINC000370865400 262154981 /nfs/dbraw/zinc/15/49/81/262154981.db2.gz RZKKABHJIILGIB-STQMWFEESA-N 1 2 317.455 0.398 10 0 DCAELO OC[C@H]1CCCN(c2cc(NC[C@H](O)C(F)F)[nH+]cn2)C1 ZINC000435590918 271566566 /nfs/dbraw/zinc/56/65/66/271566566.db2.gz ANFFNKFLHCJHTH-UWVGGRQHSA-N 1 2 302.325 0.723 10 0 DCAELO OC[C@H]1CCCN(c2cc(NC[C@H](O)C(F)F)nc[nH+]2)C1 ZINC000435590918 271566568 /nfs/dbraw/zinc/56/65/68/271566568.db2.gz ANFFNKFLHCJHTH-UWVGGRQHSA-N 1 2 302.325 0.723 10 0 DCAELO CC[C@H](C)NC(=O)C[NH+]1CCN(Cc2ccnc(C)n2)CC1 ZINC000507142046 272395017 /nfs/dbraw/zinc/39/50/17/272395017.db2.gz HLZLNRKNXWCARV-ZDUSSCGKSA-N 1 2 305.426 0.817 10 0 DCAELO CC[C@H](C)NC(=O)CN1CC[NH+](Cc2ccnc(C)n2)CC1 ZINC000507142046 272395018 /nfs/dbraw/zinc/39/50/18/272395018.db2.gz HLZLNRKNXWCARV-ZDUSSCGKSA-N 1 2 305.426 0.817 10 0 DCAELO COC(=O)C[C@@H]1CSCCN1C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000262809151 277066450 /nfs/dbraw/zinc/06/64/50/277066450.db2.gz SYQVWFJVJABVSU-SECBINFHSA-N 1 2 324.406 0.176 10 0 DCAELO Cc1cccn2cc(CC(=O)N3CCN4CCOC[C@H]4C3)[nH+]c12 ZINC000543604807 287960806 /nfs/dbraw/zinc/96/08/06/287960806.db2.gz DZCAZMVLAPZCOA-OAHLLOKOSA-N 1 2 314.389 0.728 10 0 DCAELO CC1=CC[N@H+](CCNC(=O)NC[C@@H](C)S(C)(=O)=O)CC1 ZINC000545859672 288002683 /nfs/dbraw/zinc/00/26/83/288002683.db2.gz ZFJKMRYNJODVGM-GFCCVEGCSA-N 1 2 303.428 0.371 10 0 DCAELO CC1=CC[N@@H+](CCNC(=O)NC[C@@H](C)S(C)(=O)=O)CC1 ZINC000545859672 288002684 /nfs/dbraw/zinc/00/26/84/288002684.db2.gz ZFJKMRYNJODVGM-GFCCVEGCSA-N 1 2 303.428 0.371 10 0 DCAELO CSC1=[NH+][C@@H]2[C@@H](NN1)N(c1ccccc1)C(=O)[C@H]2C(C)=O ZINC000006357030 278126631 /nfs/dbraw/zinc/12/66/31/278126631.db2.gz DQZQSFIODUGNKW-SRVKXCTJSA-N 1 2 304.375 0.760 10 0 DCAELO CC(C)n1nnnc1C[N@@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000408045936 278154908 /nfs/dbraw/zinc/15/49/08/278154908.db2.gz ABYMKAPIEUTVNN-HNNXBMFYSA-N 1 2 322.413 0.203 10 0 DCAELO CC(C)n1nnnc1C[N@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000408045936 278154911 /nfs/dbraw/zinc/15/49/11/278154911.db2.gz ABYMKAPIEUTVNN-HNNXBMFYSA-N 1 2 322.413 0.203 10 0 DCAELO C[C@@H](C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)n1cncn1 ZINC000113448292 278189720 /nfs/dbraw/zinc/18/97/20/278189720.db2.gz ONXWDTWKJLCLRT-UONOGXRCSA-N 1 2 307.398 0.552 10 0 DCAELO Cc1cn2c([nH+]1)CN(C(=O)[C@@H]1CC(=O)N(c3cn[nH]c3)C1)CC2 ZINC000371737424 279002636 /nfs/dbraw/zinc/00/26/36/279002636.db2.gz UHCTVCNVROQUMU-LLVKDONJSA-N 1 2 314.349 0.310 10 0 DCAELO CCOC(=O)[C@H](C)CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000553100945 288287140 /nfs/dbraw/zinc/28/71/40/288287140.db2.gz GSSUZCVVSBPGDA-SNVBAGLBSA-N 1 2 318.333 0.588 10 0 DCAELO O=S(=O)(NCc1ccc(Cn2cc[nH+]c2)cc1)N1CCC1 ZINC000560459252 288503904 /nfs/dbraw/zinc/50/39/04/288503904.db2.gz YECQJLFPWVQDOF-UHFFFAOYSA-N 1 2 306.391 0.972 10 0 DCAELO C[N@@H+]1CCO[C@H](C(=O)Nc2c[nH]cc(Br)c2=O)C1 ZINC000089990536 290106471 /nfs/dbraw/zinc/10/64/71/290106471.db2.gz BNTWLJYPIGVDPF-VIFPVBQESA-N 1 2 316.155 0.407 10 0 DCAELO C[N@H+]1CCO[C@H](C(=O)Nc2c[nH]cc(Br)c2=O)C1 ZINC000089990536 290106472 /nfs/dbraw/zinc/10/64/72/290106472.db2.gz BNTWLJYPIGVDPF-VIFPVBQESA-N 1 2 316.155 0.407 10 0 DCAELO Cn1cc(N2CC[C@@H]([N@@H+]3CCO[C@@]4(CCOC4)C3)C2=O)cn1 ZINC000248921761 294252164 /nfs/dbraw/zinc/25/21/64/294252164.db2.gz FGCFMWQPOJWDSO-HIFRSBDPSA-N 1 2 306.366 0.017 10 0 DCAELO Cn1cc(N2CC[C@@H]([N@H+]3CCO[C@@]4(CCOC4)C3)C2=O)cn1 ZINC000248921761 294252167 /nfs/dbraw/zinc/25/21/67/294252167.db2.gz FGCFMWQPOJWDSO-HIFRSBDPSA-N 1 2 306.366 0.017 10 0 DCAELO COc1ccc(O)cc1C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000408028348 295169118 /nfs/dbraw/zinc/16/91/18/295169118.db2.gz DAGZTVOEZWLRLW-DZGCQCFKSA-N 1 2 306.362 0.946 10 0 DCAELO COc1ccc(O)cc1C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000408028348 295169121 /nfs/dbraw/zinc/16/91/21/295169121.db2.gz DAGZTVOEZWLRLW-DZGCQCFKSA-N 1 2 306.362 0.946 10 0 DCAELO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000329681549 297089652 /nfs/dbraw/zinc/08/96/52/297089652.db2.gz YJMJKFUBJUVCNZ-FRRDWIJNSA-N 1 2 300.424 0.506 10 0 DCAELO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000329681549 297089654 /nfs/dbraw/zinc/08/96/54/297089654.db2.gz YJMJKFUBJUVCNZ-FRRDWIJNSA-N 1 2 300.424 0.506 10 0 DCAELO Cc1ccc(O)c(C[N@@H+]2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)n1 ZINC000299742137 534197052 /nfs/dbraw/zinc/19/70/52/534197052.db2.gz HCVIFRAFEFNWDT-OCCSQVGLSA-N 1 2 323.368 0.867 10 0 DCAELO Cc1ccc(O)c(C[N@H+]2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)n1 ZINC000299742137 534197056 /nfs/dbraw/zinc/19/70/56/534197056.db2.gz HCVIFRAFEFNWDT-OCCSQVGLSA-N 1 2 323.368 0.867 10 0 DCAELO CCCNC(=O)c1cccc(C(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000132260184 519901877 /nfs/dbraw/zinc/90/18/77/519901877.db2.gz UCJHAHNDILCMHE-HNNXBMFYSA-N 1 2 319.405 0.887 10 0 DCAELO CCCNC(=O)c1cccc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000132260184 519901879 /nfs/dbraw/zinc/90/18/79/519901879.db2.gz UCJHAHNDILCMHE-HNNXBMFYSA-N 1 2 319.405 0.887 10 0 DCAELO CN(Cc1ncc(Cl)n1C)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000181008681 523578952 /nfs/dbraw/zinc/57/89/52/523578952.db2.gz GPJGOIPPUPPXFH-JTQLQIEISA-N 1 2 315.805 0.546 10 0 DCAELO CN(Cc1ncc(Cl)n1C)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000181008681 523578959 /nfs/dbraw/zinc/57/89/59/523578959.db2.gz GPJGOIPPUPPXFH-JTQLQIEISA-N 1 2 315.805 0.546 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)Nc2ccc([S@@](C)=O)cc2)C1 ZINC000245471468 523948718 /nfs/dbraw/zinc/94/87/18/523948718.db2.gz OALJZWZGONYPKB-XUSGNXJCSA-N 1 2 311.407 0.876 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)Nc2ccc([S@@](C)=O)cc2)C1 ZINC000245471468 523948724 /nfs/dbraw/zinc/94/87/24/523948724.db2.gz OALJZWZGONYPKB-XUSGNXJCSA-N 1 2 311.407 0.876 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)c2cccnc2OCC(F)F)C1 ZINC000124854289 523950871 /nfs/dbraw/zinc/95/08/71/523950871.db2.gz FAAFRAANLWXKRP-SNVBAGLBSA-N 1 2 315.320 0.786 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)c2cccnc2OCC(F)F)C1 ZINC000124854289 523950875 /nfs/dbraw/zinc/95/08/75/523950875.db2.gz FAAFRAANLWXKRP-SNVBAGLBSA-N 1 2 315.320 0.786 10 0 DCAELO C[C@@H]1CCCN(S(=O)(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000246917266 524241384 /nfs/dbraw/zinc/24/13/84/524241384.db2.gz IQPMREJRBKJFDJ-ZIAGYGMSSA-N 1 2 317.455 0.370 10 0 DCAELO Cc1ccccc1OC[C@H](O)C[NH+]1CC(NC(=O)C2CC2)C1 ZINC000187981361 525313597 /nfs/dbraw/zinc/31/35/97/525313597.db2.gz VAALAJGCQMMSNT-OAHLLOKOSA-N 1 2 304.390 0.945 10 0 DCAELO Cc1nc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c(=O)[nH]c1C ZINC000156496111 526641138 /nfs/dbraw/zinc/64/11/38/526641138.db2.gz YSGSOCRVTLMTSE-ZDUSSCGKSA-N 1 2 320.393 0.324 10 0 DCAELO O=C(NCc1cn2c([nH+]1)CCCC2)NC[C@@]1(O)CCSC1 ZINC000267089062 526804536 /nfs/dbraw/zinc/80/45/36/526804536.db2.gz UJXNHQGPJKJYGU-AWEZNQCLSA-N 1 2 310.423 0.887 10 0 DCAELO OC[C@@H]1CCCN1c1cc(NCC2(CO)CCOCC2)[nH+]cn1 ZINC000164081235 527589860 /nfs/dbraw/zinc/58/98/60/527589860.db2.gz KTAGZBVSQLHOEG-ZDUSSCGKSA-N 1 2 322.409 0.639 10 0 DCAELO OC[C@@H]1CCCN1c1cc(NCC2(CO)CCOCC2)nc[nH+]1 ZINC000164081235 527589867 /nfs/dbraw/zinc/58/98/67/527589867.db2.gz KTAGZBVSQLHOEG-ZDUSSCGKSA-N 1 2 322.409 0.639 10 0 DCAELO Cn1nccc1C1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000159152692 527598197 /nfs/dbraw/zinc/59/81/97/527598197.db2.gz NKKOKMRHKAVMNH-CQSZACIVSA-N 1 2 321.425 0.640 10 0 DCAELO Cn1nccc1C1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000159152692 527598201 /nfs/dbraw/zinc/59/82/01/527598201.db2.gz NKKOKMRHKAVMNH-CQSZACIVSA-N 1 2 321.425 0.640 10 0 DCAELO CNc1[nH+]cnc2c1cnn2CC(=O)N(C)Cc1cnn(C)c1 ZINC000194428079 545933312 /nfs/dbraw/zinc/93/33/12/545933312.db2.gz LKLMYCRJEDNMQO-UHFFFAOYSA-N 1 2 314.353 0.260 10 0 DCAELO COC(=O)[C@@]1(O)CC[N@H+](C)C[C@@H]1NC(=O)OCc1ccccc1 ZINC000685960898 548748739 /nfs/dbraw/zinc/74/87/39/548748739.db2.gz GORRFJVOQULAER-XJKSGUPXSA-N 1 2 322.361 0.521 10 0 DCAELO COC(=O)[C@@]1(O)CC[N@@H+](C)C[C@@H]1NC(=O)OCc1ccccc1 ZINC000685960898 548748741 /nfs/dbraw/zinc/74/87/41/548748741.db2.gz GORRFJVOQULAER-XJKSGUPXSA-N 1 2 322.361 0.521 10 0 DCAELO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1cnc(N)nc1 ZINC000094444243 661262432 /nfs/dbraw/zinc/26/24/32/661262432.db2.gz MOXLEWXTNLGGSQ-GHMZBOCLSA-N 1 2 311.411 0.306 10 0 DCAELO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1cnc(N)nc1 ZINC000094444243 661262435 /nfs/dbraw/zinc/26/24/35/661262435.db2.gz MOXLEWXTNLGGSQ-GHMZBOCLSA-N 1 2 311.411 0.306 10 0 DCAELO Cc1nc2c(nccc2C(=O)NC[C@H](C)[NH+]2CCOCC2)[nH]1 ZINC000333278700 659777583 /nfs/dbraw/zinc/77/75/83/659777583.db2.gz OZKFREIAWJEWPX-JTQLQIEISA-N 1 2 303.366 0.717 10 0 DCAELO Cc1nc2c(nccc2C(=O)NC[C@@H](C)[NH+]2CCOCC2)[nH]1 ZINC000333278701 659777954 /nfs/dbraw/zinc/77/79/54/659777954.db2.gz OZKFREIAWJEWPX-SNVBAGLBSA-N 1 2 303.366 0.717 10 0 DCAELO Cc1cn(C(C)(C)C(=O)N2CC[C@@](O)(c3nc(C)no3)C2)c[nH+]1 ZINC000897572744 662905498 /nfs/dbraw/zinc/90/54/98/662905498.db2.gz GTVXHUMBZQMEBU-HNNXBMFYSA-N 1 2 319.365 0.738 10 0 DCAELO COC(=O)c1ncn(C[N@@H+]2CCC[C@H](Cc3noc(C)n3)C2)n1 ZINC000171357653 664607519 /nfs/dbraw/zinc/60/75/19/664607519.db2.gz JYMCITXLVMXEKW-LLVKDONJSA-N 1 2 320.353 0.668 10 0 DCAELO COC(=O)c1ncn(C[N@H+]2CCC[C@H](Cc3noc(C)n3)C2)n1 ZINC000171357653 664607520 /nfs/dbraw/zinc/60/75/20/664607520.db2.gz JYMCITXLVMXEKW-LLVKDONJSA-N 1 2 320.353 0.668 10 0 DCAELO Cn1cnnc1C[C@@]1(O)CCC[N@H+](Cc2c(Cl)cnn2C)C1 ZINC000886088781 667731092 /nfs/dbraw/zinc/73/10/92/667731092.db2.gz MMGRXDKPQFIZAF-AWEZNQCLSA-N 1 2 324.816 0.772 10 0 DCAELO Cn1cnnc1C[C@@]1(O)CCC[N@@H+](Cc2c(Cl)cnn2C)C1 ZINC000886088781 667731096 /nfs/dbraw/zinc/73/10/96/667731096.db2.gz MMGRXDKPQFIZAF-AWEZNQCLSA-N 1 2 324.816 0.772 10 0 DCAELO CC[S@@](=O)CCNC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000741090147 667758723 /nfs/dbraw/zinc/75/87/23/667758723.db2.gz PGTVNHGKLTXJGN-MPBGBICISA-N 1 2 305.444 0.023 10 0 DCAELO Cn1cc(C[NH2+][C@@H]2CCS(=O)(=O)C2)c(Br)n1 ZINC000712446282 670148957 /nfs/dbraw/zinc/14/89/57/670148957.db2.gz DJIZQCMIWYAXJT-MRVPVSSYSA-N 1 2 308.201 0.459 10 0 DCAELO Cn1cc(C[N@@H+]2CCC[C@](O)(CO)C2)c(Br)n1 ZINC000714080965 670177547 /nfs/dbraw/zinc/17/75/47/670177547.db2.gz GHQPWBZTVTVNOR-LLVKDONJSA-N 1 2 304.188 0.502 10 0 DCAELO Cn1cc(C[N@H+]2CCC[C@](O)(CO)C2)c(Br)n1 ZINC000714080965 670177548 /nfs/dbraw/zinc/17/75/48/670177548.db2.gz GHQPWBZTVTVNOR-LLVKDONJSA-N 1 2 304.188 0.502 10 0 DCAELO Cn1cc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)c(Br)n1 ZINC000714082313 670177788 /nfs/dbraw/zinc/17/77/88/670177788.db2.gz NZWMEKASSGZKKA-UWVGGRQHSA-N 1 2 304.188 0.358 10 0 DCAELO Cn1cc(C[N@H+]2CC[C@H](O)[C@H](CO)C2)c(Br)n1 ZINC000714082313 670177791 /nfs/dbraw/zinc/17/77/91/670177791.db2.gz NZWMEKASSGZKKA-UWVGGRQHSA-N 1 2 304.188 0.358 10 0 DCAELO C[C@@H]1[C@H]([NH2+]Cc2nc(Br)c[nH]2)CCS1(=O)=O ZINC000390783196 685260282 /nfs/dbraw/zinc/26/02/82/685260282.db2.gz LSMKRFQPASAQAK-RNFRBKRXSA-N 1 2 308.201 0.837 10 0 DCAELO CCNS(=O)(=O)CC[NH2+]Cc1nc(Br)c[nH]1 ZINC000390664603 685260302 /nfs/dbraw/zinc/26/03/02/685260302.db2.gz RCTXOTOIOXVVPA-UHFFFAOYSA-N 1 2 311.205 0.201 10 0 DCAELO CCOCCOCC[N@H+](C)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000249497809 685180919 /nfs/dbraw/zinc/18/09/19/685180919.db2.gz WKVHYCDVSOSZGU-ZIAGYGMSSA-N 1 2 310.394 0.880 10 0 DCAELO CCOCCOCC[N@@H+](C)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000249497809 685180925 /nfs/dbraw/zinc/18/09/25/685180925.db2.gz WKVHYCDVSOSZGU-ZIAGYGMSSA-N 1 2 310.394 0.880 10 0 DCAELO C[C@@H](C(=O)NCCCOCc1ccccc1)N1CC[NH2+]CC1=O ZINC000706586435 939180077 /nfs/dbraw/zinc/18/00/77/939180077.db2.gz OBDIYWGBWSXRBR-AWEZNQCLSA-N 1 2 319.405 0.530 10 0 DCAELO O=C(NCC[NH+]1CCOCC1)c1cccc2c1OCC(=O)N2 ZINC000074733094 185014606 /nfs/dbraw/zinc/01/46/06/185014606.db2.gz VUFRLYNEOHSGHD-UHFFFAOYSA-N 1 2 305.334 0.080 10 0 DCAELO C[C@H](CNC(=O)Cn1c(=O)[nH]c2ccccc21)Cn1cc[nH+]c1 ZINC000081800806 192327411 /nfs/dbraw/zinc/32/74/11/192327411.db2.gz UDNPWGVDRIXRKB-GFCCVEGCSA-N 1 2 313.361 0.979 10 0 DCAELO Cc1noc([C@H]2C[C@@H](O)C[N@@H+]2CCC(=O)N2CCCCC2)n1 ZINC000328638901 231273971 /nfs/dbraw/zinc/27/39/71/231273971.db2.gz WSNPDPVJWXUFAH-CHWSQXEVSA-N 1 2 308.382 0.888 10 0 DCAELO Cc1noc([C@H]2C[C@@H](O)C[N@H+]2CCC(=O)N2CCCCC2)n1 ZINC000328638901 231273975 /nfs/dbraw/zinc/27/39/75/231273975.db2.gz WSNPDPVJWXUFAH-CHWSQXEVSA-N 1 2 308.382 0.888 10 0 DCAELO Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+]Cc2csnn2)CC(=O)N1C ZINC000328645996 231281358 /nfs/dbraw/zinc/28/13/58/231281358.db2.gz ZXMQAEMHDGKWMR-BXUZGUMPSA-N 1 2 320.422 0.950 10 0 DCAELO Cc1nc(N2CC[C@@H](NS(C)(=O)=O)C2)c2c([nH+]1)CCCC2 ZINC000272817527 210216718 /nfs/dbraw/zinc/21/67/18/210216718.db2.gz DNLKXCVOGKOMTC-LLVKDONJSA-N 1 2 310.423 0.792 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@H](c3cc[nH]n3)C2)C1 ZINC000246713393 529783423 /nfs/dbraw/zinc/78/34/23/529783423.db2.gz FVFCNXFSOBKZHE-OLZOCXBDSA-N 1 2 307.398 0.629 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@H](c3cc[nH]n3)C2)C1 ZINC000246713393 529783424 /nfs/dbraw/zinc/78/34/24/529783424.db2.gz FVFCNXFSOBKZHE-OLZOCXBDSA-N 1 2 307.398 0.629 10 0 DCAELO NC(=O)C1CC[NH+](Cc2nc(N)nc(N3CCCCC3)n2)CC1 ZINC000072470611 191175956 /nfs/dbraw/zinc/17/59/56/191175956.db2.gz HGTYUODWVVDVSA-UHFFFAOYSA-N 1 2 319.413 0.141 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2cn(Cc3cccs3)nn2)C1 ZINC000172921981 198168265 /nfs/dbraw/zinc/16/82/65/198168265.db2.gz OJOXOIUGPUJZFJ-NSHDSACASA-N 1 2 321.406 0.448 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)c2cn(Cc3cccs3)nn2)C1 ZINC000172921981 198168268 /nfs/dbraw/zinc/16/82/68/198168268.db2.gz OJOXOIUGPUJZFJ-NSHDSACASA-N 1 2 321.406 0.448 10 0 DCAELO CCc1nc(C2([NH2+]CCC(=O)NCC(=O)OC)CCCC2)no1 ZINC000173693594 198241489 /nfs/dbraw/zinc/24/14/89/198241489.db2.gz NCJMSBQHJSDEMP-UHFFFAOYSA-N 1 2 324.381 0.670 10 0 DCAELO O=C(N[C@H]1CCc2n[nH]cc2C1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000153911865 295900827 /nfs/dbraw/zinc/90/08/27/295900827.db2.gz HNXKKZUGVZTJOX-KBPBESRZSA-N 1 2 319.409 0.383 10 0 DCAELO CS[C@@H](C(=O)NC[C@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC000179479164 199042992 /nfs/dbraw/zinc/04/29/92/199042992.db2.gz RJFHHZPDAGCGFV-LSDHHAIUSA-N 1 2 324.446 0.900 10 0 DCAELO COCCCOCC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000180050114 199112258 /nfs/dbraw/zinc/11/22/58/199112258.db2.gz VCKMJJZOLLNFLI-UHFFFAOYSA-N 1 2 304.350 0.937 10 0 DCAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1nc2ccccc2s1 ZINC000154129136 291210956 /nfs/dbraw/zinc/21/09/56/291210956.db2.gz BIXHGJRJAOEOQB-NSHDSACASA-N 1 2 321.402 0.719 10 0 DCAELO CCN(C(=O)C[N@@H+]1CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000077382579 284150895 /nfs/dbraw/zinc/15/08/95/284150895.db2.gz MPTHKBOUDCKAAZ-LBPRGKRZSA-N 1 2 302.440 0.896 10 0 DCAELO CCN(C(=O)C[N@H+]1CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000077382579 284150898 /nfs/dbraw/zinc/15/08/98/284150898.db2.gz MPTHKBOUDCKAAZ-LBPRGKRZSA-N 1 2 302.440 0.896 10 0 DCAELO O=C(c1ccc2c(c1)OCO2)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172742575 296238230 /nfs/dbraw/zinc/23/82/30/296238230.db2.gz UBSUTTIRZJXFJW-CYBMUJFWSA-N 1 2 304.346 0.962 10 0 DCAELO COCCN(Cc1ccco1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000105282003 194093074 /nfs/dbraw/zinc/09/30/74/194093074.db2.gz PSUBHBLTRQHNJI-CQSZACIVSA-N 1 2 311.382 0.768 10 0 DCAELO COCCN(Cc1ccco1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000105282003 194093077 /nfs/dbraw/zinc/09/30/77/194093077.db2.gz PSUBHBLTRQHNJI-CQSZACIVSA-N 1 2 311.382 0.768 10 0 DCAELO Cc1nn(C)c(C)c1C[NH+]1CCN(CC(=O)N(C)C2CC2)CC1 ZINC000105865973 194149690 /nfs/dbraw/zinc/14/96/90/194149690.db2.gz DLJLJSIFGDMTPP-UHFFFAOYSA-N 1 2 319.453 0.775 10 0 DCAELO Cc1nn(C)c(C)c1CN1CC[NH+](CC(=O)N(C)C2CC2)CC1 ZINC000105865973 194149694 /nfs/dbraw/zinc/14/96/94/194149694.db2.gz DLJLJSIFGDMTPP-UHFFFAOYSA-N 1 2 319.453 0.775 10 0 DCAELO C[C@H](C(N)=O)[NH+]1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000105865571 194150637 /nfs/dbraw/zinc/15/06/37/194150637.db2.gz UUVXVHSOVHZZKK-CQSZACIVSA-N 1 2 313.405 0.864 10 0 DCAELO C[C@H](C(N)=O)N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000105865571 194150638 /nfs/dbraw/zinc/15/06/38/194150638.db2.gz UUVXVHSOVHZZKK-CQSZACIVSA-N 1 2 313.405 0.864 10 0 DCAELO Cc1cc(C)n(C[C@H]2C[N@H+](CCN3C(=O)CCC3=O)CCO2)n1 ZINC000105893711 194160229 /nfs/dbraw/zinc/16/02/29/194160229.db2.gz YJCITZHUJOFNPW-CQSZACIVSA-N 1 2 320.393 0.350 10 0 DCAELO Cc1cc(C)n(C[C@H]2C[N@@H+](CCN3C(=O)CCC3=O)CCO2)n1 ZINC000105893711 194160231 /nfs/dbraw/zinc/16/02/31/194160231.db2.gz YJCITZHUJOFNPW-CQSZACIVSA-N 1 2 320.393 0.350 10 0 DCAELO Cn1cc(C(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cn1 ZINC000110958223 194374963 /nfs/dbraw/zinc/37/49/63/194374963.db2.gz HQGQLULXTAIJHN-CQSZACIVSA-N 1 2 320.393 0.316 10 0 DCAELO COCC[N@@H+]1CCN(S(=O)(=O)C[C@@H]2CCCO2)C[C@@H]1C ZINC000172262607 532970258 /nfs/dbraw/zinc/97/02/58/532970258.db2.gz LNPXPNIKWNVLDP-STQMWFEESA-N 1 2 306.428 0.148 10 0 DCAELO COCC[N@H+]1CCN(S(=O)(=O)C[C@@H]2CCCO2)C[C@@H]1C ZINC000172262607 532970266 /nfs/dbraw/zinc/97/02/66/532970266.db2.gz LNPXPNIKWNVLDP-STQMWFEESA-N 1 2 306.428 0.148 10 0 DCAELO Cc1cc(C[N@@H+]2C[C@@H]3OC[C@@H](C(=O)N4CCCCO4)[C@@H]3C2)no1 ZINC000247918193 257114853 /nfs/dbraw/zinc/11/48/53/257114853.db2.gz NDGIVLWNQBEIFU-ZNMIVQPWSA-N 1 2 321.377 0.984 10 0 DCAELO Cc1cc(C[N@H+]2C[C@@H]3OC[C@@H](C(=O)N4CCCCO4)[C@@H]3C2)no1 ZINC000247918193 257114854 /nfs/dbraw/zinc/11/48/54/257114854.db2.gz NDGIVLWNQBEIFU-ZNMIVQPWSA-N 1 2 321.377 0.984 10 0 DCAELO CN1CCO[C@H]2CCN(C(=O)NCCCn3cc[nH+]c3)C[C@@H]21 ZINC000284167601 131055633 /nfs/dbraw/zinc/05/56/33/131055633.db2.gz WVRIDGGHGZTBGB-KBPBESRZSA-N 1 2 307.398 0.388 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnn4cccnc34)C[C@H]21 ZINC000284367741 131074598 /nfs/dbraw/zinc/07/45/98/131074598.db2.gz FDVCDIRURQSULQ-CHWSQXEVSA-N 1 2 301.350 0.274 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnn4cccnc34)C[C@H]21 ZINC000284367741 131074600 /nfs/dbraw/zinc/07/46/00/131074600.db2.gz FDVCDIRURQSULQ-CHWSQXEVSA-N 1 2 301.350 0.274 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)Nc3cccc(C(N)=O)c3)C[C@@H]21 ZINC000285381649 131162352 /nfs/dbraw/zinc/16/23/52/131162352.db2.gz XVGXREBZUBMODY-KBPBESRZSA-N 1 2 318.377 0.722 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3cccc(C(N)=O)c3)C[C@@H]21 ZINC000285381649 131162353 /nfs/dbraw/zinc/16/23/53/131162353.db2.gz XVGXREBZUBMODY-KBPBESRZSA-N 1 2 318.377 0.722 10 0 DCAELO C[C@H](NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1)c1cnn(C)c1 ZINC000285524437 131177824 /nfs/dbraw/zinc/17/78/24/131177824.db2.gz TXJOLGDODMOHMA-UBHSHLNASA-N 1 2 307.398 0.596 10 0 DCAELO C[C@H](NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1)c1cnn(C)c1 ZINC000285524437 131177826 /nfs/dbraw/zinc/17/78/26/131177826.db2.gz TXJOLGDODMOHMA-UBHSHLNASA-N 1 2 307.398 0.596 10 0 DCAELO CC(O)C[NH+]1CCN(C(=O)C2CC3CCCC(C2)C3=O)CC1 ZINC000186829412 533672263 /nfs/dbraw/zinc/67/22/63/533672263.db2.gz VGZNOCIYUUBSRC-JKXDFHQYSA-N 1 2 308.422 0.907 10 0 DCAELO C[C@@H](O)C[NH+]1CCN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)CC1 ZINC000186829412 533672272 /nfs/dbraw/zinc/67/22/72/533672272.db2.gz VGZNOCIYUUBSRC-JKXDFHQYSA-N 1 2 308.422 0.907 10 0 DCAELO COC[C@H](O)C[N@H+](C)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000036160127 395722471 /nfs/dbraw/zinc/72/24/71/395722471.db2.gz GEZGQBMGXRYEGN-SECBINFHSA-N 1 2 323.418 0.912 10 0 DCAELO COC[C@H](O)C[N@@H+](C)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000036160127 395722473 /nfs/dbraw/zinc/72/24/73/395722473.db2.gz GEZGQBMGXRYEGN-SECBINFHSA-N 1 2 323.418 0.912 10 0 DCAELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC(=O)NC(=O)NC1CC1 ZINC000041624659 395738694 /nfs/dbraw/zinc/73/86/94/395738694.db2.gz NUZPPAPWWRSXOV-DRZSPHRISA-N 1 2 323.393 0.781 10 0 DCAELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC(=O)NC(=O)NC1CC1 ZINC000041624659 395738696 /nfs/dbraw/zinc/73/86/96/395738696.db2.gz NUZPPAPWWRSXOV-DRZSPHRISA-N 1 2 323.393 0.781 10 0 DCAELO CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2nc(N)nc(N)n2)CC1 ZINC000101549604 395765048 /nfs/dbraw/zinc/76/50/48/395765048.db2.gz FSWLXCBRYNXRDV-JTQLQIEISA-N 1 2 321.429 0.409 10 0 DCAELO CCc1[nH]c(C(=O)NC[C@@H]2C[N@H+](C)CCO2)c(C)c1C(=O)OC ZINC000194725046 395805242 /nfs/dbraw/zinc/80/52/42/395805242.db2.gz CQMUZAFQZGEOOV-LLVKDONJSA-N 1 2 323.393 0.733 10 0 DCAELO CCc1[nH]c(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c(C)c1C(=O)OC ZINC000194725046 395805244 /nfs/dbraw/zinc/80/52/44/395805244.db2.gz CQMUZAFQZGEOOV-LLVKDONJSA-N 1 2 323.393 0.733 10 0 DCAELO COCCCS(=O)(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000111327644 395806593 /nfs/dbraw/zinc/80/65/93/395806593.db2.gz HKBFOSNSCFSEMF-UHFFFAOYSA-N 1 2 310.379 0.723 10 0 DCAELO CCOC1CC(CNC(=O)CSC)([NH+]2CCOCC2)C1 ZINC000195190816 395821039 /nfs/dbraw/zinc/82/10/39/395821039.db2.gz XYUWBBWSYXBKTM-UHFFFAOYSA-N 1 2 302.440 0.736 10 0 DCAELO C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](c2nccs2)C1)C(=O)N(C)C ZINC000195339891 395825707 /nfs/dbraw/zinc/82/57/07/395825707.db2.gz JIMRKLAOLGKPAS-NEPJUHHUSA-N 1 2 324.450 0.915 10 0 DCAELO C[C@@H](NC(=O)C[N@H+]1CCC[C@H](c2nccs2)C1)C(=O)N(C)C ZINC000195339891 395825708 /nfs/dbraw/zinc/82/57/08/395825708.db2.gz JIMRKLAOLGKPAS-NEPJUHHUSA-N 1 2 324.450 0.915 10 0 DCAELO CCN(CC)C(=O)C[NH+]1CCN(Cc2nnc(C)n2CC)CC1 ZINC000195430138 395826367 /nfs/dbraw/zinc/82/63/67/395826367.db2.gz RAFBDDPBUGIWPB-UHFFFAOYSA-N 1 2 322.457 0.592 10 0 DCAELO Cc1c([C@@H](C)NC(=O)NC[C@@H](C)[NH+]2CCOCC2)cnn1C ZINC000049130610 395828449 /nfs/dbraw/zinc/82/84/49/395828449.db2.gz IKLNYHSTVBBWJI-VXGBXAGGSA-N 1 2 309.414 0.809 10 0 DCAELO CCc1ccccc1NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000118115941 395859878 /nfs/dbraw/zinc/85/98/78/395859878.db2.gz YAMWYMJLUSKYCU-CYBMUJFWSA-N 1 2 305.378 0.634 10 0 DCAELO CCc1ccccc1NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000118115941 395859884 /nfs/dbraw/zinc/85/98/84/395859884.db2.gz YAMWYMJLUSKYCU-CYBMUJFWSA-N 1 2 305.378 0.634 10 0 DCAELO Cc1cc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCO2)ccc1F ZINC000118115291 395860217 /nfs/dbraw/zinc/86/02/17/395860217.db2.gz QAIRJIKTXZLXPH-GFCCVEGCSA-N 1 2 309.341 0.519 10 0 DCAELO Cc1cc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)ccc1F ZINC000118115291 395860220 /nfs/dbraw/zinc/86/02/20/395860220.db2.gz QAIRJIKTXZLXPH-GFCCVEGCSA-N 1 2 309.341 0.519 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2cccnc2N2CCCC2)C1 ZINC000194600650 395800406 /nfs/dbraw/zinc/80/04/06/395800406.db2.gz SFQGYFRWEYTBDK-ZDUSSCGKSA-N 1 2 304.394 0.742 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)c2cccnc2N2CCCC2)C1 ZINC000194600650 395800410 /nfs/dbraw/zinc/80/04/10/395800410.db2.gz SFQGYFRWEYTBDK-ZDUSSCGKSA-N 1 2 304.394 0.742 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC(=O)Nc3ccccc32)C1 ZINC000194613663 395801543 /nfs/dbraw/zinc/80/15/43/395801543.db2.gz QWJJUDXEUQDNMD-DGCLKSJQSA-N 1 2 303.362 0.559 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC(=O)Nc3ccccc32)C1 ZINC000194613663 395801547 /nfs/dbraw/zinc/80/15/47/395801547.db2.gz QWJJUDXEUQDNMD-DGCLKSJQSA-N 1 2 303.362 0.559 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2CCCc3cn[nH]c32)C[C@@H]1C ZINC000273541355 395929188 /nfs/dbraw/zinc/92/91/88/395929188.db2.gz TWDQDXFBBGZEHG-OBJOEFQTSA-N 1 2 321.425 0.884 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(C(=O)N[C@H]2CCCc3cn[nH]c32)C[C@@H]1C ZINC000273541355 395929191 /nfs/dbraw/zinc/92/91/91/395929191.db2.gz TWDQDXFBBGZEHG-OBJOEFQTSA-N 1 2 321.425 0.884 10 0 DCAELO O=C(C[N@@H+]1CCc2n[nH]cc2C1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000125777201 395905720 /nfs/dbraw/zinc/90/57/20/395905720.db2.gz RNMYFRGRSFNRKS-GJZGRUSLSA-N 1 2 304.394 0.938 10 0 DCAELO O=C(C[N@H+]1CCc2n[nH]cc2C1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000125777201 395905721 /nfs/dbraw/zinc/90/57/21/395905721.db2.gz RNMYFRGRSFNRKS-GJZGRUSLSA-N 1 2 304.394 0.938 10 0 DCAELO CN(C)S(=O)(=O)c1cccc(C[N@@H+]2CCNC(=O)CC2)c1 ZINC000054867688 395907815 /nfs/dbraw/zinc/90/78/15/395907815.db2.gz VPWKYVQDVYPZQK-UHFFFAOYSA-N 1 2 311.407 0.259 10 0 DCAELO CN(C)S(=O)(=O)c1cccc(C[N@H+]2CCNC(=O)CC2)c1 ZINC000054867688 395907819 /nfs/dbraw/zinc/90/78/19/395907819.db2.gz VPWKYVQDVYPZQK-UHFFFAOYSA-N 1 2 311.407 0.259 10 0 DCAELO Cc1nc(C2CC2)oc1C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000273615542 395933616 /nfs/dbraw/zinc/93/36/16/395933616.db2.gz SNQBZURAKWURLD-GFCCVEGCSA-N 1 2 309.366 0.283 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)c2cc(-n3cccn3)ccn2)C1 ZINC000134720812 395934096 /nfs/dbraw/zinc/93/40/96/395934096.db2.gz YHCDBQBGBYPVIY-CYBMUJFWSA-N 1 2 301.350 0.328 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)c2cc(-n3cccn3)ccn2)C1 ZINC000134720812 395934100 /nfs/dbraw/zinc/93/41/00/395934100.db2.gz YHCDBQBGBYPVIY-CYBMUJFWSA-N 1 2 301.350 0.328 10 0 DCAELO CCOCCCNC(=O)[C@@H](C)[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249059519 396002266 /nfs/dbraw/zinc/00/22/66/396002266.db2.gz 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ZINC000139571055 395954472 /nfs/dbraw/zinc/95/44/72/395954472.db2.gz FJEGWQCOAKWEON-CQSZACIVSA-N 1 2 307.369 0.995 10 0 DCAELO CN(C)C(=O)[C@H]1CCC[N@H+]1CC(=O)NCc1ccccc1F ZINC000139571055 395954474 /nfs/dbraw/zinc/95/44/74/395954474.db2.gz FJEGWQCOAKWEON-CQSZACIVSA-N 1 2 307.369 0.995 10 0 DCAELO CCOCCNC(=O)C[N@H+]1[C@H](C(=O)OC)C[C@H]2CCCC[C@@H]21 ZINC000247103779 395966965 /nfs/dbraw/zinc/96/69/65/395966965.db2.gz ZQFHXJKJIOSDAJ-RDBSUJKOSA-N 1 2 312.410 0.945 10 0 DCAELO CCOCCNC(=O)C[N@@H+]1[C@H](C(=O)OC)C[C@H]2CCCC[C@@H]21 ZINC000247103779 395966972 /nfs/dbraw/zinc/96/69/72/395966972.db2.gz ZQFHXJKJIOSDAJ-RDBSUJKOSA-N 1 2 312.410 0.945 10 0 DCAELO CCCCN(C)S(=O)(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000247251662 395970727 /nfs/dbraw/zinc/97/07/27/395970727.db2.gz YVQGNAMSGPCZGK-CYBMUJFWSA-N 1 2 305.444 0.370 10 0 DCAELO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)C[C@@H](O)CN1CCCC1=O ZINC000247346102 395972371 /nfs/dbraw/zinc/97/23/71/395972371.db2.gz OLDQBWBLKUUDQD-VXGBXAGGSA-N 1 2 300.399 0.632 10 0 DCAELO C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)C[C@@H](O)CN1CCCC1=O ZINC000247346102 395972374 /nfs/dbraw/zinc/97/23/74/395972374.db2.gz OLDQBWBLKUUDQD-VXGBXAGGSA-N 1 2 300.399 0.632 10 0 DCAELO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000151253628 395983173 /nfs/dbraw/zinc/98/31/73/395983173.db2.gz PQTPLSDVVRNAFD-QWRGUYRKSA-N 1 2 316.365 0.762 10 0 DCAELO O=C1NC[C@H]2C[N@H+](C[C@@H](O)c3ccccc3Cl)CCN2C1=O ZINC000248131906 395983174 /nfs/dbraw/zinc/98/31/74/395983174.db2.gz ONOUEMKBXMAUIB-GXFFZTMASA-N 1 2 323.780 0.016 10 0 DCAELO O=C1NC[C@H]2C[N@@H+](C[C@@H](O)c3ccccc3Cl)CCN2C1=O ZINC000248131906 395983175 /nfs/dbraw/zinc/98/31/75/395983175.db2.gz ONOUEMKBXMAUIB-GXFFZTMASA-N 1 2 323.780 0.016 10 0 DCAELO CCn1cc([C@H]2C[N@H+](C[C@@H](O)CN3CCCC3=O)CCO2)cn1 ZINC000248709030 395995256 /nfs/dbraw/zinc/99/52/56/395995256.db2.gz IIWKLVCWYQLWML-HUUCEWRRSA-N 1 2 322.409 0.260 10 0 DCAELO CCn1cc([C@H]2C[N@@H+](C[C@@H](O)CN3CCCC3=O)CCO2)cn1 ZINC000248709030 395995261 /nfs/dbraw/zinc/99/52/61/395995261.db2.gz IIWKLVCWYQLWML-HUUCEWRRSA-N 1 2 322.409 0.260 10 0 DCAELO CCn1cc([C@H]2C[N@@H+]([C@H](C)CN3CCOCC3)CCO2)cn1 ZINC000248802995 395997921 /nfs/dbraw/zinc/99/79/21/395997921.db2.gz QUVKJTLENPMUMG-GDBMZVCRSA-N 1 2 308.426 0.997 10 0 DCAELO CCn1cc([C@H]2C[N@H+]([C@H](C)CN3CCOCC3)CCO2)cn1 ZINC000248802995 395997922 /nfs/dbraw/zinc/99/79/22/395997922.db2.gz QUVKJTLENPMUMG-GDBMZVCRSA-N 1 2 308.426 0.997 10 0 DCAELO CCCn1cc(C[N@@H+]2CCCN(S(C)(=O)=O)CC2)cn1 ZINC000153267321 396023009 /nfs/dbraw/zinc/02/30/09/396023009.db2.gz DNPABHDHWGBFFT-UHFFFAOYSA-N 1 2 300.428 0.760 10 0 DCAELO CCCn1cc(C[N@H+]2CCCN(S(C)(=O)=O)CC2)cn1 ZINC000153267321 396023013 /nfs/dbraw/zinc/02/30/13/396023013.db2.gz DNPABHDHWGBFFT-UHFFFAOYSA-N 1 2 300.428 0.760 10 0 DCAELO CCNC(=O)NC(=O)C[N@@H+]1CCN(CC(F)F)[C@H](CC)C1 ZINC000153452823 396024774 /nfs/dbraw/zinc/02/47/74/396024774.db2.gz QKNFNJQINTZBDG-SNVBAGLBSA-N 1 2 306.357 0.493 10 0 DCAELO CCNC(=O)NC(=O)C[N@H+]1CCN(CC(F)F)[C@H](CC)C1 ZINC000153452823 396024776 /nfs/dbraw/zinc/02/47/76/396024776.db2.gz QKNFNJQINTZBDG-SNVBAGLBSA-N 1 2 306.357 0.493 10 0 DCAELO O=C(COc1ccccc1F)NC[C@H](O)C[NH+]1CCOCC1 ZINC000154125759 396032191 /nfs/dbraw/zinc/03/21/91/396032191.db2.gz QJMMEIUFLYQSKI-LBPRGKRZSA-N 1 2 312.341 0.014 10 0 DCAELO COC(=O)[C@@H]1C[C@@H]1C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000171401230 396115908 /nfs/dbraw/zinc/11/59/08/396115908.db2.gz IEGUBMGJXHMCHN-NWDGAFQWSA-N 1 2 300.318 0.693 10 0 DCAELO O=C(CCCNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)NC1CC1 ZINC000173786745 396136337 /nfs/dbraw/zinc/13/63/37/396136337.db2.gz SRWPWGGPAUYWMM-AWEZNQCLSA-N 1 2 324.425 0.161 10 0 DCAELO O=C(NCCCN1CCCC1=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173780179 396136502 /nfs/dbraw/zinc/13/65/02/396136502.db2.gz CAANBNNDOKJWLE-AWEZNQCLSA-N 1 2 324.425 0.115 10 0 DCAELO CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263223657 396206918 /nfs/dbraw/zinc/20/69/18/396206918.db2.gz MKTDUIBEFZOOEE-GMTAPVOTSA-N 1 2 303.353 0.747 10 0 DCAELO Cn1cc([C@H]2CN(C(=O)[C@H]3CC(F)(F)C[NH2+]3)CCO2)cn1 ZINC000263219408 396206943 /nfs/dbraw/zinc/20/69/43/396206943.db2.gz LPCLWGUMQDYNNG-GHMZBOCLSA-N 1 2 300.309 0.317 10 0 DCAELO Cc1cc(N2CCN(C)[C@H](c3[nH+]ccn3C)C2)n2ncnc2n1 ZINC000280550997 396207139 /nfs/dbraw/zinc/20/71/39/396207139.db2.gz TXBMRQGWNNOGND-LBPRGKRZSA-N 1 2 312.381 0.659 10 0 DCAELO C[C@@H]1CN(C(=O)NCCCn2ccnc2)C[C@H]1[NH+]1CCOCC1 ZINC000177297131 396171279 /nfs/dbraw/zinc/17/12/79/396171279.db2.gz DXXOYHPFFCKGPZ-HUUCEWRRSA-N 1 2 321.425 0.635 10 0 DCAELO C[C@@H]1CN(C(=O)NCCCn2ccnc2)C[C@@H]1[NH+]1CCOCC1 ZINC000177297102 396171286 /nfs/dbraw/zinc/17/12/86/396171286.db2.gz DXXOYHPFFCKGPZ-CABCVRRESA-N 1 2 321.425 0.635 10 0 DCAELO C[C@H](NC(=O)[C@@H]1CC(F)(F)C[NH2+]1)C(=O)NCc1ccccc1 ZINC000263069109 396199908 /nfs/dbraw/zinc/19/99/08/396199908.db2.gz WIHQXEQWPKGHRY-JQWIXIFHSA-N 1 2 311.332 0.805 10 0 DCAELO O=C(NCCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)c1cccs1 ZINC000263099711 396201375 /nfs/dbraw/zinc/20/13/75/396201375.db2.gz ZGSTWDMEYOCHQM-QMMMGPOBSA-N 1 2 303.334 0.591 10 0 DCAELO COC(=O)CCN1CC[N@H+](C[C@@H](C)CS(C)(=O)=O)[C@@H](C)C1 ZINC000182114781 396246966 /nfs/dbraw/zinc/24/69/66/396246966.db2.gz SXJNTPRWWJMPAZ-OLZOCXBDSA-N 1 2 320.455 0.236 10 0 DCAELO COC(=O)CCN1CC[N@@H+](C[C@@H](C)CS(C)(=O)=O)[C@@H](C)C1 ZINC000182114781 396246969 /nfs/dbraw/zinc/24/69/69/396246969.db2.gz SXJNTPRWWJMPAZ-OLZOCXBDSA-N 1 2 320.455 0.236 10 0 DCAELO COC(=O)CC[N@@H+]1CCN(C[C@@H](C)CS(C)(=O)=O)[C@@H](C)C1 ZINC000182114781 396246971 /nfs/dbraw/zinc/24/69/71/396246971.db2.gz SXJNTPRWWJMPAZ-OLZOCXBDSA-N 1 2 320.455 0.236 10 0 DCAELO COC(=O)CC[N@H+]1CCN(C[C@@H](C)CS(C)(=O)=O)[C@@H](C)C1 ZINC000182114781 396246974 /nfs/dbraw/zinc/24/69/74/396246974.db2.gz SXJNTPRWWJMPAZ-OLZOCXBDSA-N 1 2 320.455 0.236 10 0 DCAELO CC[C@H](O)C[NH+]1CCN(C(=O)c2cccc3n[nH]nc32)CC1 ZINC000183580029 396271974 /nfs/dbraw/zinc/27/19/74/396271974.db2.gz ZPMXRBHCLCPAIE-NSHDSACASA-N 1 2 303.366 0.487 10 0 DCAELO CC[C@H](O)C[NH+]1CCN(C(=O)c2cccc3nn[nH]c32)CC1 ZINC000183580029 396271979 /nfs/dbraw/zinc/27/19/79/396271979.db2.gz ZPMXRBHCLCPAIE-NSHDSACASA-N 1 2 303.366 0.487 10 0 DCAELO COC(=O)c1coc(C(=O)NCC(C)(C)[NH+]2CCOCC2)c1 ZINC000183772302 396274895 /nfs/dbraw/zinc/27/48/95/396274895.db2.gz VFXGQKKPADIUPR-UHFFFAOYSA-N 1 2 310.350 0.907 10 0 DCAELO COCCCCS(=O)(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000184954197 396311684 /nfs/dbraw/zinc/31/16/84/396311684.db2.gz IBDANXWVDRXANA-CQSZACIVSA-N 1 2 320.455 0.539 10 0 DCAELO Cc1cccn2c(=O)cc(C[N@@H+]3CCO[C@@]4(CCOC4)C3)nc12 ZINC000185148564 396319261 /nfs/dbraw/zinc/31/92/61/396319261.db2.gz HATKHFQJBJOKMC-KRWDZBQOSA-N 1 2 315.373 0.994 10 0 DCAELO Cc1cccn2c(=O)cc(C[N@H+]3CCO[C@@]4(CCOC4)C3)nc12 ZINC000185148564 396319262 /nfs/dbraw/zinc/31/92/62/396319262.db2.gz HATKHFQJBJOKMC-KRWDZBQOSA-N 1 2 315.373 0.994 10 0 DCAELO Cc1cccc(S(=O)(=O)CCC[N@@H+]2C[C@@H](O)C[C@@H]2CO)c1 ZINC000184290184 396289069 /nfs/dbraw/zinc/28/90/69/396289069.db2.gz KPXLMISWBBYMAZ-KGLIPLIRSA-N 1 2 313.419 0.586 10 0 DCAELO Cc1cccc(S(=O)(=O)CCC[N@H+]2C[C@@H](O)C[C@@H]2CO)c1 ZINC000184290184 396289073 /nfs/dbraw/zinc/28/90/73/396289073.db2.gz KPXLMISWBBYMAZ-KGLIPLIRSA-N 1 2 313.419 0.586 10 0 DCAELO COc1ccc(CNC(=O)C[N@@H+]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000185175300 396320559 /nfs/dbraw/zinc/32/05/59/396320559.db2.gz QKXIMRWHZSOQOE-KRWDZBQOSA-N 1 2 320.389 0.803 10 0 DCAELO COc1ccc(CNC(=O)C[N@H+]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000185175300 396320561 /nfs/dbraw/zinc/32/05/61/396320561.db2.gz QKXIMRWHZSOQOE-KRWDZBQOSA-N 1 2 320.389 0.803 10 0 DCAELO CN(C(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1CO)c1nc2ccccc2s1 ZINC000185161879 396320583 /nfs/dbraw/zinc/32/05/83/396320583.db2.gz QHEKCJAHUXQFEC-MNOVXSKESA-N 1 2 321.402 0.687 10 0 DCAELO CN(C(=O)C[N@H+]1C[C@@H](O)C[C@@H]1CO)c1nc2ccccc2s1 ZINC000185161879 396320585 /nfs/dbraw/zinc/32/05/85/396320585.db2.gz QHEKCJAHUXQFEC-MNOVXSKESA-N 1 2 321.402 0.687 10 0 DCAELO O=c1cc(C[N@@H+]2CCO[C@]3(CCOC3)C2)nc2sccn21 ZINC000185221929 396322389 /nfs/dbraw/zinc/32/23/89/396322389.db2.gz QINOXKPGMMUNGT-CQSZACIVSA-N 1 2 307.375 0.747 10 0 DCAELO O=c1cc(C[N@H+]2CCO[C@]3(CCOC3)C2)nc2sccn21 ZINC000185221929 396322390 /nfs/dbraw/zinc/32/23/90/396322390.db2.gz QINOXKPGMMUNGT-CQSZACIVSA-N 1 2 307.375 0.747 10 0 DCAELO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000265708561 396338285 /nfs/dbraw/zinc/33/82/85/396338285.db2.gz VBYLUFUUFGEOFS-MNOVXSKESA-N 1 2 300.384 0.100 10 0 DCAELO Cc1cc(N2CC[NH+](CC(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)n[nH]1 ZINC000187267527 396365654 /nfs/dbraw/zinc/36/56/54/396365654.db2.gz BOTBZLMYZQYBFM-KBPBESRZSA-N 1 2 321.425 0.476 10 0 DCAELO CCc1nn(C)c(CC)c1CC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000188466678 396382287 /nfs/dbraw/zinc/38/22/87/396382287.db2.gz HOKHZHUGBKUYDU-ZDUSSCGKSA-N 1 2 322.453 0.924 10 0 DCAELO O=C(CS[C@H]1CCS(=O)(=O)C1)N1CC[NH+]2CCC1CC2 ZINC000188629949 396383773 /nfs/dbraw/zinc/38/37/73/396383773.db2.gz UKPMJGCLVXROSF-LBPRGKRZSA-N 1 2 318.464 0.213 10 0 DCAELO O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@@H]1CCCc2c(O)cccc21 ZINC000190799981 396412056 /nfs/dbraw/zinc/41/20/56/396412056.db2.gz VZWOAYPPFFDCMB-CZUORRHYSA-N 1 2 315.417 0.928 10 0 DCAELO Cn1ccc(N2CCC[C@@H]([N@@H+]3CCCN(C)C(=O)C3)C2=O)n1 ZINC000191091464 396415222 /nfs/dbraw/zinc/41/52/22/396415222.db2.gz OJTWWRYIOFKBNX-GFCCVEGCSA-N 1 2 305.382 0.080 10 0 DCAELO Cn1ccc(N2CCC[C@@H]([N@H+]3CCCN(C)C(=O)C3)C2=O)n1 ZINC000191091464 396415224 /nfs/dbraw/zinc/41/52/24/396415224.db2.gz OJTWWRYIOFKBNX-GFCCVEGCSA-N 1 2 305.382 0.080 10 0 DCAELO CN(Cc1ccccc1F)C(=O)C[N@@H+]1CCCN(C)C(=O)C1 ZINC000191151580 396416212 /nfs/dbraw/zinc/41/62/12/396416212.db2.gz GGMSGJYGPYHSEH-UHFFFAOYSA-N 1 2 307.369 0.948 10 0 DCAELO CN(Cc1ccccc1F)C(=O)C[N@H+]1CCCN(C)C(=O)C1 ZINC000191151580 396416215 /nfs/dbraw/zinc/41/62/15/396416215.db2.gz GGMSGJYGPYHSEH-UHFFFAOYSA-N 1 2 307.369 0.948 10 0 DCAELO Cc1nnc([C@@H]2C[N@H+](C[C@@H]3CC4(CCC4)C(=O)O3)CCO2)[nH]1 ZINC000192045623 396428499 /nfs/dbraw/zinc/42/84/99/396428499.db2.gz IXRJUZBCGAJFOO-RYUDHWBXSA-N 1 2 306.366 0.972 10 0 DCAELO Cc1nnc([C@@H]2C[N@@H+](C[C@@H]3CC4(CCC4)C(=O)O3)CCO2)[nH]1 ZINC000192045623 396428502 /nfs/dbraw/zinc/42/85/02/396428502.db2.gz IXRJUZBCGAJFOO-RYUDHWBXSA-N 1 2 306.366 0.972 10 0 DCAELO Cc1nc(N2CCN(Cc3nc(N(C)C)no3)CC2)cc[nH+]1 ZINC000192802095 396438153 /nfs/dbraw/zinc/43/81/53/396438153.db2.gz WCUORXBVISNDML-UHFFFAOYSA-N 1 2 303.370 0.556 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc(Cl)cn2)C1 ZINC000193283729 396448400 /nfs/dbraw/zinc/44/84/00/396448400.db2.gz XSBNGPUGYQDUFP-SNVBAGLBSA-N 1 2 312.757 0.120 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc(Cl)cn2)C1 ZINC000193283729 396448404 /nfs/dbraw/zinc/44/84/04/396448404.db2.gz XSBNGPUGYQDUFP-SNVBAGLBSA-N 1 2 312.757 0.120 10 0 DCAELO Cn1nnc(C[NH2+][C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)n1 ZINC000193494088 396452622 /nfs/dbraw/zinc/45/26/22/396452622.db2.gz WQFMLCIJCIIYMR-FZMZJTMJSA-N 1 2 320.784 0.925 10 0 DCAELO C[C@@H](NC(=O)C(=O)N1CC[NH+](C2CC2)CC1)C1CCOCC1 ZINC000581090880 396525961 /nfs/dbraw/zinc/52/59/61/396525961.db2.gz GYCLCEILOSPRFD-GFCCVEGCSA-N 1 2 309.410 0.224 10 0 DCAELO NC(=O)[C@@]1(O)CC[N@H+](Cc2cccc(Br)n2)C1 ZINC000292883591 396574849 /nfs/dbraw/zinc/57/48/49/396574849.db2.gz PVPMWVOVKLTCOV-LLVKDONJSA-N 1 2 300.156 0.266 10 0 DCAELO NC(=O)[C@@]1(O)CC[N@@H+](Cc2cccc(Br)n2)C1 ZINC000292883591 396574852 /nfs/dbraw/zinc/57/48/52/396574852.db2.gz PVPMWVOVKLTCOV-LLVKDONJSA-N 1 2 300.156 0.266 10 0 DCAELO O=C(CCCN1C(=O)CNC1=O)NCc1cn2c([nH+]1)CCCC2 ZINC000588888960 396697667 /nfs/dbraw/zinc/69/76/67/396697667.db2.gz SPEIVMFOVJOTAR-UHFFFAOYSA-N 1 2 319.365 0.168 10 0 DCAELO CN(Cc1nnc(C2CC2)n1C)[C@H]1CC[N@@H+]([C@H]2CCOC2=O)C1 ZINC000299754318 396714404 /nfs/dbraw/zinc/71/44/04/396714404.db2.gz RPRZQOAHHLTUMO-STQMWFEESA-N 1 2 319.409 0.514 10 0 DCAELO CN(Cc1nnc(C2CC2)n1C)[C@H]1CC[N@H+]([C@H]2CCOC2=O)C1 ZINC000299754318 396714406 /nfs/dbraw/zinc/71/44/06/396714406.db2.gz RPRZQOAHHLTUMO-STQMWFEESA-N 1 2 319.409 0.514 10 0 DCAELO Cn1c(C[N@H+](C)[C@H]2CCN([C@H]3CCOC3=O)C2)nnc1C1CC1 ZINC000299754318 396714409 /nfs/dbraw/zinc/71/44/09/396714409.db2.gz RPRZQOAHHLTUMO-STQMWFEESA-N 1 2 319.409 0.514 10 0 DCAELO Cn1c(C[N@@H+](C)[C@H]2CCN([C@H]3CCOC3=O)C2)nnc1C1CC1 ZINC000299754318 396714411 /nfs/dbraw/zinc/71/44/11/396714411.db2.gz RPRZQOAHHLTUMO-STQMWFEESA-N 1 2 319.409 0.514 10 0 DCAELO NC(=O)c1noc([C@@H]2CCC[N@@H+]2Cc2ccc(CO)cc2)n1 ZINC000328625363 396825427 /nfs/dbraw/zinc/82/54/27/396825427.db2.gz DBDNBHDEGKGKHF-LBPRGKRZSA-N 1 2 302.334 0.998 10 0 DCAELO NC(=O)c1noc([C@@H]2CCC[N@H+]2Cc2ccc(CO)cc2)n1 ZINC000328625363 396825430 /nfs/dbraw/zinc/82/54/30/396825430.db2.gz DBDNBHDEGKGKHF-LBPRGKRZSA-N 1 2 302.334 0.998 10 0 DCAELO CCOc1cc(N2CC([N@@H+]3CCn4c(C)nnc4C3)C2)ncn1 ZINC000328631391 396826131 /nfs/dbraw/zinc/82/61/31/396826131.db2.gz KMPOUPJLHUWQMX-UHFFFAOYSA-N 1 2 315.381 0.480 10 0 DCAELO CCOc1cc(N2CC([N@H+]3CCn4c(C)nnc4C3)C2)ncn1 ZINC000328631391 396826138 /nfs/dbraw/zinc/82/61/38/396826138.db2.gz KMPOUPJLHUWQMX-UHFFFAOYSA-N 1 2 315.381 0.480 10 0 DCAELO C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC000328644086 396828092 /nfs/dbraw/zinc/82/80/92/396828092.db2.gz RQKWOMTUODWBCJ-MELADBBJSA-N 1 2 304.394 0.934 10 0 DCAELO C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000328644086 396828099 /nfs/dbraw/zinc/82/80/99/396828099.db2.gz RQKWOMTUODWBCJ-MELADBBJSA-N 1 2 304.394 0.934 10 0 DCAELO CO[C@@H]1C[C@H](NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)C1(C)C ZINC000332751351 396891357 /nfs/dbraw/zinc/89/13/57/396891357.db2.gz CEEXINUMSGAFOJ-YIYPIFLZSA-N 1 2 311.426 0.914 10 0 DCAELO CO[C@@H]1C[C@H](NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)C1(C)C ZINC000332751351 396891366 /nfs/dbraw/zinc/89/13/66/396891366.db2.gz CEEXINUMSGAFOJ-YIYPIFLZSA-N 1 2 311.426 0.914 10 0 DCAELO C[C@@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)CCN1S(C)(=O)=O ZINC000618678739 397011776 /nfs/dbraw/zinc/01/17/76/397011776.db2.gz LFUANRJIOBAOQX-LLVKDONJSA-N 1 2 322.390 0.440 10 0 DCAELO c1c([C@H]2COCC[NH2+]2)nnn1C[C@@H]1COc2ccccc2O1 ZINC000630604379 397059442 /nfs/dbraw/zinc/05/94/42/397059442.db2.gz VZSJHRPWGFFOQG-DGCLKSJQSA-N 1 2 302.334 0.779 10 0 DCAELO CC1(C)C[C@H](NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)C(C)(C)O1 ZINC000573156442 397139185 /nfs/dbraw/zinc/13/91/85/397139185.db2.gz GAFUMYLISFUGRZ-ZDUSSCGKSA-N 1 2 323.437 0.755 10 0 DCAELO c1n[nH]c2c1CC[C@H]([NH2+]Cc1cn(C[C@@H]3CCOC3)nn1)C2 ZINC000631091018 397168257 /nfs/dbraw/zinc/16/82/57/397168257.db2.gz OEVGGKQOYAYGLW-AAEUAGOBSA-N 1 2 302.382 0.685 10 0 DCAELO O=C([C@H]1CCCCS1(=O)=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000407965940 397339687 /nfs/dbraw/zinc/33/96/87/397339687.db2.gz MJNJEEPSQSVWLL-ZIAGYGMSSA-N 1 2 323.418 0.522 10 0 DCAELO CO[C@@H]1CC[C@H]2OCC[N@H+](CC(=O)NC(=O)NC3CC3)[C@H]2C1 ZINC000407993786 397343641 /nfs/dbraw/zinc/34/36/41/397343641.db2.gz UGTNLACXQWLCTG-FRRDWIJNSA-N 1 2 311.382 0.243 10 0 DCAELO CO[C@@H]1CC[C@H]2OCC[N@@H+](CC(=O)NC(=O)NC3CC3)[C@H]2C1 ZINC000407993786 397343645 /nfs/dbraw/zinc/34/36/45/397343645.db2.gz UGTNLACXQWLCTG-FRRDWIJNSA-N 1 2 311.382 0.243 10 0 DCAELO CCS(=O)(=O)NCC[N@@H+]1CCCC[C@@H]1c1ccnn1C ZINC000366864978 397395229 /nfs/dbraw/zinc/39/52/29/397395229.db2.gz BGEJPIUGHOAFSI-CYBMUJFWSA-N 1 2 300.428 0.886 10 0 DCAELO CCS(=O)(=O)NCC[N@H+]1CCCC[C@@H]1c1ccnn1C ZINC000366864978 397395233 /nfs/dbraw/zinc/39/52/33/397395233.db2.gz BGEJPIUGHOAFSI-CYBMUJFWSA-N 1 2 300.428 0.886 10 0 DCAELO COc1cc[nH+]cc1NC(=O)C(=O)N[C@H](C)Cc1cc(C)n[nH]1 ZINC000491906488 397507883 /nfs/dbraw/zinc/50/78/83/397507883.db2.gz BIDUWISEHAXBFW-SECBINFHSA-N 1 2 317.349 0.808 10 0 DCAELO O=C(CN1CCS(=O)(=O)CC1)Nc1ccc2[nH+]ccn2c1 ZINC000603886115 397625240 /nfs/dbraw/zinc/62/52/40/397625240.db2.gz WYGOHODSIYXLTF-UHFFFAOYSA-N 1 2 308.363 0.003 10 0 DCAELO O=C(NCCN1C(=O)CNC1=O)Nc1ccc2[nH+]ccn2c1 ZINC000606583696 397683992 /nfs/dbraw/zinc/68/39/92/397683992.db2.gz KVEPKVPRYFDUHP-UHFFFAOYSA-N 1 2 302.294 0.008 10 0 DCAELO COc1ccc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)c(O)c1 ZINC000284653474 286279875 /nfs/dbraw/zinc/27/98/75/286279875.db2.gz WIHKFCCGFYFBEO-HIFRSBDPSA-N 1 2 306.362 0.946 10 0 DCAELO COc1ccc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)c(O)c1 ZINC000284653474 286279878 /nfs/dbraw/zinc/27/98/78/286279878.db2.gz WIHKFCCGFYFBEO-HIFRSBDPSA-N 1 2 306.362 0.946 10 0 DCAELO C[C@@H]1C[N@H+](CC(=O)NCCN2CCc3ccccc32)CCO1 ZINC000051160680 158013732 /nfs/dbraw/zinc/01/37/32/158013732.db2.gz NDWIJVCOVMILIW-CQSZACIVSA-N 1 2 303.406 0.886 10 0 DCAELO C[C@@H]1C[N@@H+](CC(=O)NCCN2CCc3ccccc32)CCO1 ZINC000051160680 158013734 /nfs/dbraw/zinc/01/37/34/158013734.db2.gz NDWIJVCOVMILIW-CQSZACIVSA-N 1 2 303.406 0.886 10 0 DCAELO CNC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2CCNC(=O)CC2)c1 ZINC000065955277 158034348 /nfs/dbraw/zinc/03/43/48/158034348.db2.gz DDMKAKIENZSHOM-NSHDSACASA-N 1 2 318.377 0.195 10 0 DCAELO CNC(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2CCNC(=O)CC2)c1 ZINC000065955277 158034350 /nfs/dbraw/zinc/03/43/50/158034350.db2.gz DDMKAKIENZSHOM-NSHDSACASA-N 1 2 318.377 0.195 10 0 DCAELO O[C@@H](CSc1nnc(NC2CC2)s1)C[NH+]1CCOCC1 ZINC000066401415 158035509 /nfs/dbraw/zinc/03/55/09/158035509.db2.gz BMJQOXZLMODPCG-SNVBAGLBSA-N 1 2 316.452 0.898 10 0 DCAELO CCCC[C@@H](NC(N)=O)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000068523484 158043932 /nfs/dbraw/zinc/04/39/32/158043932.db2.gz AGMBCVAGVQSBJF-GFCCVEGCSA-N 1 2 307.398 0.991 10 0 DCAELO C[C@@H](CNC(=O)[C@H]1Cc2cc(F)ccc2O1)[NH+]1CCOCC1 ZINC000076957850 158066404 /nfs/dbraw/zinc/06/64/04/158066404.db2.gz FTBHDDFFHGBNPZ-XHDPSFHLSA-N 1 2 308.353 0.966 10 0 DCAELO CCS(=O)(=O)N(C)CC(=O)N(C)c1ccc[nH+]c1N(C)C ZINC000079722811 158079123 /nfs/dbraw/zinc/07/91/23/158079123.db2.gz XHRZUBPLIJGMLB-UHFFFAOYSA-N 1 2 314.411 0.392 10 0 DCAELO COc1cc(F)ccc1N1CC[NH+]([C@@H](C)C(=O)NC(N)=O)CC1 ZINC000115550543 158161791 /nfs/dbraw/zinc/16/17/91/158161791.db2.gz NNKHJDPZYXBPQB-JTQLQIEISA-N 1 2 324.356 0.540 10 0 DCAELO COC(=O)c1[nH]c(C)c(C(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c1C ZINC000121029069 158206494 /nfs/dbraw/zinc/20/64/94/158206494.db2.gz AXIJVVOTTRWWJR-RYUDHWBXSA-N 1 2 321.377 0.573 10 0 DCAELO COC(=O)c1[nH]c(C)c(C(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1C ZINC000121029069 158206497 /nfs/dbraw/zinc/20/64/97/158206497.db2.gz AXIJVVOTTRWWJR-RYUDHWBXSA-N 1 2 321.377 0.573 10 0 DCAELO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000122605080 158221863 /nfs/dbraw/zinc/22/18/63/158221863.db2.gz ZTAVCLVCLPIMAN-XHJNMGKDSA-N 1 2 311.426 0.454 10 0 DCAELO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000122605080 158221864 /nfs/dbraw/zinc/22/18/64/158221864.db2.gz ZTAVCLVCLPIMAN-XHJNMGKDSA-N 1 2 311.426 0.454 10 0 DCAELO COC(=O)[C@H]1C[N@@H+]([C@@H](C)C(=O)N2CCC(C)CC2)C[C@@H](C)O1 ZINC000124062007 158236540 /nfs/dbraw/zinc/23/65/40/158236540.db2.gz AJVSWRGKZMNOEZ-HZSPNIEDSA-N 1 2 312.410 0.896 10 0 DCAELO COC(=O)[C@H]1C[N@H+]([C@@H](C)C(=O)N2CCC(C)CC2)C[C@@H](C)O1 ZINC000124062007 158236542 /nfs/dbraw/zinc/23/65/42/158236542.db2.gz AJVSWRGKZMNOEZ-HZSPNIEDSA-N 1 2 312.410 0.896 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)c2ccc3c(c2)CCC3)C1 ZINC000171287042 158381956 /nfs/dbraw/zinc/38/19/56/158381956.db2.gz OIFZQDLWDBEJRO-HNNXBMFYSA-N 1 2 302.374 0.805 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)C(=O)c2ccc3c(c2)CCC3)C1 ZINC000171287042 158381960 /nfs/dbraw/zinc/38/19/60/158381960.db2.gz OIFZQDLWDBEJRO-HNNXBMFYSA-N 1 2 302.374 0.805 10 0 DCAELO C[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000172121586 158391398 /nfs/dbraw/zinc/39/13/98/158391398.db2.gz DCJUUZWXRJQXQU-JKXDFHQYSA-N 1 2 311.426 0.510 10 0 DCAELO C[C@H](OC[C@@H]1CCCO1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172749756 158398671 /nfs/dbraw/zinc/39/86/71/158398671.db2.gz SSUVADASCRUXEZ-ZNMIVQPWSA-N 1 2 312.410 0.504 10 0 DCAELO C[C@@H]1C(=O)NCCCN1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000191198985 158566382 /nfs/dbraw/zinc/56/63/82/158566382.db2.gz XRALUOGCULXXAS-LLVKDONJSA-N 1 2 305.382 0.568 10 0 DCAELO C[C@@H](C(=O)N1CC[NH2+][C@@H](c2cccnc2)C1)N1CCOCC1 ZINC000328660474 159017523 /nfs/dbraw/zinc/01/75/23/159017523.db2.gz VLJIEOZWKCQDTC-DZGCQCFKSA-N 1 2 304.394 0.275 10 0 DCAELO Cn1c(-c2cccnc2)nnc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000328802559 159030651 /nfs/dbraw/zinc/03/06/51/159030651.db2.gz MKRBSPHMUMESDU-CQSZACIVSA-N 1 2 314.393 0.788 10 0 DCAELO C[C@H](OC[C@@H]1CCCO1)C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000328856224 159035038 /nfs/dbraw/zinc/03/50/38/159035038.db2.gz CXPJAZCTULMXRV-XQLPTFJDSA-N 1 2 312.410 0.502 10 0 DCAELO C[C@H](OC[C@@H]1CCCO1)C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000328856224 159035039 /nfs/dbraw/zinc/03/50/39/159035039.db2.gz CXPJAZCTULMXRV-XQLPTFJDSA-N 1 2 312.410 0.502 10 0 DCAELO CCc1nnc([C@@H](C)[N@@H+]2CCC[C@@](O)(Cn3ccnn3)C2)o1 ZINC000328985441 159049963 /nfs/dbraw/zinc/04/99/63/159049963.db2.gz ZRURFMPGGXGVSE-RISCZKNCSA-N 1 2 306.370 0.812 10 0 DCAELO CCc1nnc([C@@H](C)[N@H+]2CCC[C@@](O)(Cn3ccnn3)C2)o1 ZINC000328985441 159049965 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287016471 /nfs/dbraw/zinc/01/64/71/287016471.db2.gz WLAOGRCNFMFDCD-UONOGXRCSA-N 1 2 324.425 0.113 10 0 DCAELO CCOCC[N@@H+]1CCN(S(=O)(=O)[C@@H]2CCO[C@@H]2C)C[C@@H]1C ZINC000135697186 287024091 /nfs/dbraw/zinc/02/40/91/287024091.db2.gz LSCYELVEJSZPHS-BFHYXJOUSA-N 1 2 320.455 0.536 10 0 DCAELO CCOCC[N@H+]1CCN(S(=O)(=O)[C@@H]2CCO[C@@H]2C)C[C@@H]1C ZINC000135697186 287024093 /nfs/dbraw/zinc/02/40/93/287024093.db2.gz LSCYELVEJSZPHS-BFHYXJOUSA-N 1 2 320.455 0.536 10 0 DCAELO NC(=O)[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000247094190 287091009 /nfs/dbraw/zinc/09/10/09/287091009.db2.gz UKNBQKPYQYIUQI-UWVGGRQHSA-N 1 2 307.316 0.737 10 0 DCAELO NC(=O)[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000247094190 287091011 /nfs/dbraw/zinc/09/10/11/287091011.db2.gz UKNBQKPYQYIUQI-UWVGGRQHSA-N 1 2 307.316 0.737 10 0 DCAELO CCOCC[N@@H+]1CCN(S(=O)(=O)C[C@H](C)OC)C[C@@H]1C ZINC000249607360 287116346 /nfs/dbraw/zinc/11/63/46/287116346.db2.gz RMAWHYOGGWNMQC-STQMWFEESA-N 1 2 308.444 0.394 10 0 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ZINC000111220865 415690621 /nfs/dbraw/zinc/69/06/21/415690621.db2.gz LGUQWERAPFJWFZ-WDEREUQCSA-N 1 2 324.381 0.651 10 0 DCAELO COC(=O)CCCc1nc(C[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)no1 ZINC000111220865 415690627 /nfs/dbraw/zinc/69/06/27/415690627.db2.gz LGUQWERAPFJWFZ-WDEREUQCSA-N 1 2 324.381 0.651 10 0 DCAELO C[C@H](C(=O)N[C@@H]1CCc2ccccc2C1=O)N1CC[NH+](C)CC1 ZINC000333759287 415729971 /nfs/dbraw/zinc/72/99/71/415729971.db2.gz VHUFMMAPBZXPSI-CZUORRHYSA-N 1 2 315.417 0.936 10 0 DCAELO CCOC(=O)COCC[NH+]1CCC(CS(C)(=O)=O)CC1 ZINC000336831183 415826773 /nfs/dbraw/zinc/82/67/73/415826773.db2.gz INYHRCVGTBYEIE-UHFFFAOYSA-N 1 2 307.412 0.323 10 0 DCAELO O=C1NC[C@@H]2C[N@H+](Cc3ccc4ccccc4n3)CCN2C1=O ZINC000137937672 415961955 /nfs/dbraw/zinc/96/19/55/415961955.db2.gz HNHJYIJPWLNUJX-CQSZACIVSA-N 1 2 310.357 0.377 10 0 DCAELO O=C1NC[C@@H]2C[N@@H+](Cc3ccc4ccccc4n3)CCN2C1=O ZINC000137937672 415961957 /nfs/dbraw/zinc/96/19/57/415961957.db2.gz HNHJYIJPWLNUJX-CQSZACIVSA-N 1 2 310.357 0.377 10 0 DCAELO Cn1cc(CCCNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cn1 ZINC000173800282 416066291 /nfs/dbraw/zinc/06/62/91/416066291.db2.gz LGPWJNLGXBUAMO-OAHLLOKOSA-N 1 2 321.425 0.469 10 0 DCAELO C[C@@H](CNC(=O)NCCc1cccc(O)c1)[NH+]1CCOCC1 ZINC000170696517 416028600 /nfs/dbraw/zinc/02/86/00/416028600.db2.gz GXXUJRUMWYEFPL-ZDUSSCGKSA-N 1 2 307.394 0.955 10 0 DCAELO O=CNc1ccc(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc1 ZINC000174869225 416088113 /nfs/dbraw/zinc/08/81/13/416088113.db2.gz UKKMBKRHFAUZMZ-OAHLLOKOSA-N 1 2 303.362 0.848 10 0 DCAELO O=CNc1ccc(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cc1 ZINC000174869225 416088115 /nfs/dbraw/zinc/08/81/15/416088115.db2.gz UKKMBKRHFAUZMZ-OAHLLOKOSA-N 1 2 303.362 0.848 10 0 DCAELO CC(C)Cn1cc[nH+]c1CNC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000175121356 416098116 /nfs/dbraw/zinc/09/81/16/416098116.db2.gz YQTHSRORMLQWBF-GFCCVEGCSA-N 1 2 317.397 0.945 10 0 DCAELO O=S(=O)(C[C@@H]1CCCCO1)NC[C@@H]1CCn2cc[nH+]c2C1 ZINC000328618979 416123385 /nfs/dbraw/zinc/12/33/85/416123385.db2.gz FJSGEWHWFPUYBN-OLZOCXBDSA-N 1 2 313.423 0.934 10 0 DCAELO Cc1csc(NC(=O)CN2CCN(Cc3[nH]cc[nH+]3)CC2)n1 ZINC000357742731 416125234 /nfs/dbraw/zinc/12/52/34/416125234.db2.gz SHMOTJQFFQQXKA-UHFFFAOYSA-N 1 2 320.422 0.931 10 0 DCAELO C[C@H](CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)N1CCOCC1 ZINC000177394593 416144306 /nfs/dbraw/zinc/14/43/06/416144306.db2.gz SJYUOCWZRVSTMZ-HUUCEWRRSA-N 1 2 321.425 0.778 10 0 DCAELO CCOc1c(F)cccc1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178720143 416170070 /nfs/dbraw/zinc/17/00/70/416170070.db2.gz WKDDJLQMWDKVMF-GFCCVEGCSA-N 1 2 307.369 0.954 10 0 DCAELO Cc1c(F)cccc1NC(=O)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178963840 416179065 /nfs/dbraw/zinc/17/90/65/416179065.db2.gz RYARMRMYDMTWDL-GFCCVEGCSA-N 1 2 320.368 0.189 10 0 DCAELO Cc1cc(NC(=O)C(=O)NC[C@@H]2C[NH+]3CCN2CC3)ccc1F ZINC000178957889 416179563 /nfs/dbraw/zinc/17/95/63/416179563.db2.gz PNWQQITUVZFOGI-CYBMUJFWSA-N 1 2 320.368 0.189 10 0 DCAELO COC(=O)Cn1cc(CC[N@@H+]2CCCC[C@H]2c2nnc[nH]2)nn1 ZINC000182708135 416229183 /nfs/dbraw/zinc/22/91/83/416229183.db2.gz URGULIXDNJWGIS-LBPRGKRZSA-N 1 2 319.369 0.339 10 0 DCAELO COC(=O)Cn1cc(CC[N@H+]2CCCC[C@H]2c2nnc[nH]2)nn1 ZINC000182708135 416229188 /nfs/dbraw/zinc/22/91/88/416229188.db2.gz URGULIXDNJWGIS-LBPRGKRZSA-N 1 2 319.369 0.339 10 0 DCAELO COC(=O)[C@@H](C1CC1)[NH+]1CCN(c2ncccc2C(N)=O)CC1 ZINC000359587657 416351865 /nfs/dbraw/zinc/35/18/65/416351865.db2.gz FSPPGZVNSMRSCA-CYBMUJFWSA-N 1 2 318.377 0.254 10 0 DCAELO Cc1c(C(=O)NC[C@H]2C[N@H+](C)CCO2)cnn1-c1ccccn1 ZINC000194724054 416324380 /nfs/dbraw/zinc/32/43/80/416324380.db2.gz NRXBQXMXHYWHFG-ZDUSSCGKSA-N 1 2 315.377 0.636 10 0 DCAELO Cc1c(C(=O)NC[C@H]2C[N@@H+](C)CCO2)cnn1-c1ccccn1 ZINC000194724054 416324381 /nfs/dbraw/zinc/32/43/81/416324381.db2.gz NRXBQXMXHYWHFG-ZDUSSCGKSA-N 1 2 315.377 0.636 10 0 DCAELO Cc1cc(C[C@@H](C)NC(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)n[nH]1 ZINC000458545106 416479194 /nfs/dbraw/zinc/47/91/94/416479194.db2.gz FTPBDNQIHFQQME-BNOWGMLFSA-N 1 2 323.441 0.746 10 0 DCAELO Cc1cc(C[C@@H](C)NC(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)n[nH]1 ZINC000458545106 416479195 /nfs/dbraw/zinc/47/91/95/416479195.db2.gz FTPBDNQIHFQQME-BNOWGMLFSA-N 1 2 323.441 0.746 10 0 DCAELO Cc1cccn2cc(CC(=O)N3CC[C@@H](NC(N)=O)C3)[nH+]c12 ZINC000535712366 416524953 /nfs/dbraw/zinc/52/49/53/416524953.db2.gz QJYTWRKONQXEBO-LLVKDONJSA-N 1 2 301.350 0.454 10 0 DCAELO COC(=O)[C@@H](C1CC1)[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000434744466 416492871 /nfs/dbraw/zinc/49/28/71/416492871.db2.gz HELGYRJRKPYLNM-CHWSQXEVSA-N 1 2 316.423 0.438 10 0 DCAELO COC(=O)[C@@H](C1CC1)[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000434744466 416492877 /nfs/dbraw/zinc/49/28/77/416492877.db2.gz HELGYRJRKPYLNM-CHWSQXEVSA-N 1 2 316.423 0.438 10 0 DCAELO NC(=O)N[C@@H]1CC[N@H+](CC(=O)NC2C3CC4CC(C3)CC2C4)C1 ZINC000534966053 416511773 /nfs/dbraw/zinc/51/17/73/416511773.db2.gz ZZVUQOLIWKTRAF-GMDIISMXSA-N 1 2 320.437 0.670 10 0 DCAELO NC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC2C3CC4CC(C3)CC2C4)C1 ZINC000534966053 416511777 /nfs/dbraw/zinc/51/17/77/416511777.db2.gz ZZVUQOLIWKTRAF-GMDIISMXSA-N 1 2 320.437 0.670 10 0 DCAELO Cc1nc(N2CCN(C(=O)[C@@H]3CCC[C@H](O)C3)CC2)cc[nH+]1 ZINC000439724495 416621057 /nfs/dbraw/zinc/62/10/57/416621057.db2.gz ZEFFCQGCRSURSR-KGLIPLIRSA-N 1 2 304.394 0.985 10 0 DCAELO COc1cccc(CCNC(=O)N(C)CC[NH+]2CCOCC2)n1 ZINC000441452482 416671588 /nfs/dbraw/zinc/67/15/88/416671588.db2.gz WFCBRWAJOPCNBZ-UHFFFAOYSA-N 1 2 322.409 0.606 10 0 DCAELO O=C(CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)N1CCCC1 ZINC000557354102 416731779 /nfs/dbraw/zinc/73/17/79/416731779.db2.gz CLBAZUSQIRTXQQ-UHFFFAOYSA-N 1 2 315.333 0.011 10 0 DCAELO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000376714450 417034912 /nfs/dbraw/zinc/03/49/12/417034912.db2.gz BRBNGOYFVDMWLM-UPJWGTAASA-N 1 2 305.444 0.129 10 0 DCAELO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000376714450 417034921 /nfs/dbraw/zinc/03/49/21/417034921.db2.gz BRBNGOYFVDMWLM-UPJWGTAASA-N 1 2 305.444 0.129 10 0 DCAELO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1CCCC12OCCO2 ZINC000376196821 417023857 /nfs/dbraw/zinc/02/38/57/417023857.db2.gz MSSPTGSLIFNVEX-ILXRZTDVSA-N 1 2 324.421 0.851 10 0 DCAELO Cc1noc([C@H]2C[N@@H+](C[C@](C)(O)C(F)(F)F)CCN2C)n1 ZINC000408036372 417133622 /nfs/dbraw/zinc/13/36/22/417133622.db2.gz RVXRDUISKZMERL-KOLCDFICSA-N 1 2 308.304 0.980 10 0 DCAELO Cc1noc([C@H]2C[N@H+](C[C@](C)(O)C(F)(F)F)CCN2C)n1 ZINC000408036372 417133628 /nfs/dbraw/zinc/13/36/28/417133628.db2.gz RVXRDUISKZMERL-KOLCDFICSA-N 1 2 308.304 0.980 10 0 DCAELO Cc1noc([C@@H]2C[N@@H+](C[C@@](C)(O)C(F)(F)F)CCN2C)n1 ZINC000408036368 417133883 /nfs/dbraw/zinc/13/38/83/417133883.db2.gz RVXRDUISKZMERL-GXSJLCMTSA-N 1 2 308.304 0.980 10 0 DCAELO Cc1noc([C@@H]2C[N@H+](C[C@@](C)(O)C(F)(F)F)CCN2C)n1 ZINC000408036368 417133889 /nfs/dbraw/zinc/13/38/89/417133889.db2.gz RVXRDUISKZMERL-GXSJLCMTSA-N 1 2 308.304 0.980 10 0 DCAELO CC(C)[C@H]1OCC[C@H]1C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000408275032 417151007 /nfs/dbraw/zinc/15/10/07/417151007.db2.gz SCMVDNJLKUMYLU-CHWSQXEVSA-N 1 2 311.426 0.456 10 0 DCAELO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000525808618 417152969 /nfs/dbraw/zinc/15/29/69/417152969.db2.gz RNWZCDQZZSRZKJ-BBRMVZONSA-N 1 2 324.425 0.019 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(C)Cc1nnnn1C)C2 ZINC000526020530 417175259 /nfs/dbraw/zinc/17/52/59/417175259.db2.gz CTKJLJVHDVLMLC-JTQLQIEISA-N 1 2 317.397 0.820 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N(C)Cc1nnnn1C)CC2 ZINC000526020530 417175264 /nfs/dbraw/zinc/17/52/64/417175264.db2.gz CTKJLJVHDVLMLC-JTQLQIEISA-N 1 2 317.397 0.820 10 0 DCAELO CC(=O)NCC[N@@H+](CC[C@H](C)O)[C@@H](C)C(=O)OC(C)(C)C ZINC000450716272 417260259 /nfs/dbraw/zinc/26/02/59/417260259.db2.gz YCHSGJGOEQOBGN-RYUDHWBXSA-N 1 2 302.415 0.926 10 0 DCAELO CC(=O)NCC[N@H+](CC[C@H](C)O)[C@@H](C)C(=O)OC(C)(C)C ZINC000450716272 417260265 /nfs/dbraw/zinc/26/02/65/417260265.db2.gz YCHSGJGOEQOBGN-RYUDHWBXSA-N 1 2 302.415 0.926 10 0 DCAELO CCOC(=O)[C@@H]1C[N@@H+]([C@@H](C)c2nnnn2C2CC2)CC12COC2 ZINC000451139239 417307038 /nfs/dbraw/zinc/30/70/38/417307038.db2.gz RWUYARDFJKVFFR-JQWIXIFHSA-N 1 2 321.381 0.581 10 0 DCAELO CCOC(=O)[C@@H]1C[N@H+]([C@@H](C)c2nnnn2C2CC2)CC12COC2 ZINC000451139239 417307043 /nfs/dbraw/zinc/30/70/43/417307043.db2.gz RWUYARDFJKVFFR-JQWIXIFHSA-N 1 2 321.381 0.581 10 0 DCAELO CC(=O)N1CC[NH+](CCNc2nc3c(cccc3F)o2)CC1 ZINC000576764290 417635255 /nfs/dbraw/zinc/63/52/55/417635255.db2.gz HYDVEOVRLCRSGR-UHFFFAOYSA-N 1 2 306.341 1.543 10 0 DCAELO CCc1nnc(NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)[nH]1 ZINC000182238225 261114808 /nfs/dbraw/zinc/11/48/08/261114808.db2.gz CCONKFTVPWCRJW-UHFFFAOYSA-N 1 2 315.381 0.766 10 0 DCAELO CCc1nc(NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)n[nH]1 ZINC000182238225 261114811 /nfs/dbraw/zinc/11/48/11/261114811.db2.gz CCONKFTVPWCRJW-UHFFFAOYSA-N 1 2 315.381 0.766 10 0 DCAELO CCc1n[nH]c(NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)n1 ZINC000182238225 261114813 /nfs/dbraw/zinc/11/48/13/261114813.db2.gz CCONKFTVPWCRJW-UHFFFAOYSA-N 1 2 315.381 0.766 10 0 DCAELO COCCN1CCC[N@H+](Cc2cccc(C(N)=O)c2)CC1=O ZINC000190755775 261135351 /nfs/dbraw/zinc/13/53/51/261135351.db2.gz JGAARJFUSXODDV-UHFFFAOYSA-N 1 2 305.378 0.466 10 0 DCAELO COCCN1CCC[N@@H+](Cc2cccc(C(N)=O)c2)CC1=O ZINC000190755775 261135353 /nfs/dbraw/zinc/13/53/53/261135353.db2.gz JGAARJFUSXODDV-UHFFFAOYSA-N 1 2 305.378 0.466 10 0 DCAELO COc1cccc([C@H](C)C(=O)NC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000193498143 261142367 /nfs/dbraw/zinc/14/23/67/261142367.db2.gz YYQUSHFGMKTIKL-DZGCQCFKSA-N 1 2 322.405 0.608 10 0 DCAELO COc1cccc(CNC(=O)N[C@@H](C)C[NH+]2CCOCC2)n1 ZINC000194649280 261147345 /nfs/dbraw/zinc/14/73/45/261147345.db2.gz KSVIYPPKAPVCHJ-LBPRGKRZSA-N 1 2 308.382 0.610 10 0 DCAELO COc1ccc(NC(=O)C[N@@H+]2CCN3CCOC[C@H]3C2)cc1 ZINC000363791414 262130425 /nfs/dbraw/zinc/13/04/25/262130425.db2.gz COZCTPDQBCHQHH-CQSZACIVSA-N 1 2 305.378 0.650 10 0 DCAELO COc1ccc(NC(=O)C[N@H+]2CCN3CCOC[C@H]3C2)cc1 ZINC000363791414 262130427 /nfs/dbraw/zinc/13/04/27/262130427.db2.gz COZCTPDQBCHQHH-CQSZACIVSA-N 1 2 305.378 0.650 10 0 DCAELO CC1(C)CN(C(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CCO1 ZINC000459996787 272023548 /nfs/dbraw/zinc/02/35/48/272023548.db2.gz AXVDTHNDZNNGBT-UHFFFAOYSA-N 1 2 320.393 0.753 10 0 DCAELO Cc1cc(C[C@H](C)NC(=O)NCC[N@@H+]2CCOC[C@H]2C)[nH]n1 ZINC000487548338 272042038 /nfs/dbraw/zinc/04/20/38/272042038.db2.gz KFLPWGKKRPHSOO-WCQYABFASA-N 1 2 309.414 0.669 10 0 DCAELO Cc1cc(C[C@H](C)NC(=O)NCC[N@H+]2CCOC[C@H]2C)[nH]n1 ZINC000487548338 272042039 /nfs/dbraw/zinc/04/20/39/272042039.db2.gz KFLPWGKKRPHSOO-WCQYABFASA-N 1 2 309.414 0.669 10 0 DCAELO Cn1cc[nH+]c1CNC(=O)NCCCc1nnc2ccccn21 ZINC000489179911 272058002 /nfs/dbraw/zinc/05/80/02/272058002.db2.gz QAFHRWRJQDENIJ-UHFFFAOYSA-N 1 2 313.365 0.895 10 0 DCAELO COC(=O)[C@H](c1cccnc1)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000245927876 277123203 /nfs/dbraw/zinc/12/32/03/277123203.db2.gz IHYYKCQUQPSTMA-BMFZPTHFSA-N 1 2 319.405 0.948 10 0 DCAELO O=C(CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1)NC1CCCCC1 ZINC000547630091 288063478 /nfs/dbraw/zinc/06/34/78/288063478.db2.gz JZPOTIQWSSNERE-CYBMUJFWSA-N 1 2 319.409 0.946 10 0 DCAELO Cc1[nH+]c2cc(NC(=O)CN3CCOCC3=O)ccc2n1C ZINC000548391901 288138909 /nfs/dbraw/zinc/13/89/09/288138909.db2.gz GGLGTZVWXJOOTE-UHFFFAOYSA-N 1 2 302.334 0.679 10 0 DCAELO COC1CCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000553040244 288285194 /nfs/dbraw/zinc/28/51/94/288285194.db2.gz VBYFJYGVWUNXOD-UHFFFAOYSA-N 1 2 302.334 0.910 10 0 DCAELO CC1(C)CN(S(=O)(=O)N2CC[NH+](C3CC3)CC2)CCO1 ZINC000329520100 281253936 /nfs/dbraw/zinc/25/39/36/281253936.db2.gz ZYICMWUCURRFCK-UHFFFAOYSA-N 1 2 303.428 0.122 10 0 DCAELO C[C@H](C[S@@](C)=O)N(C)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000559764448 288479289 /nfs/dbraw/zinc/47/92/89/288479289.db2.gz FSVHCUOUIQGMSW-ZQJOYCHOSA-N 1 2 322.390 0.498 10 0 DCAELO C[C@@H](NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)c1cnn(C)c1 ZINC000561004578 288523620 /nfs/dbraw/zinc/52/36/20/288523620.db2.gz XWMPYBPXYMNGQP-SNVBAGLBSA-N 1 2 312.333 0.884 10 0 DCAELO CN1C[C@@H](C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CC1=O ZINC000110953130 290261254 /nfs/dbraw/zinc/26/12/54/290261254.db2.gz TTZIUSKVKVREGM-UONOGXRCSA-N 1 2 309.410 0.178 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)C[C@H](C)[N@H+]1CCO ZINC000333186224 297060318 /nfs/dbraw/zinc/06/03/18/297060318.db2.gz QVJZQIXKBFOZFC-QKGCVVFFSA-N 1 2 316.467 0.892 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)C[C@H](C)[N@@H+]1CCO ZINC000333186224 297060319 /nfs/dbraw/zinc/06/03/19/297060319.db2.gz QVJZQIXKBFOZFC-QKGCVVFFSA-N 1 2 316.467 0.892 10 0 DCAELO C[C@H](C(=O)N1CCCCC1)[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000408449980 298013129 /nfs/dbraw/zinc/01/31/29/298013129.db2.gz CONXRNQFAPKVRB-CHWSQXEVSA-N 1 2 302.440 0.754 10 0 DCAELO C[C@H](C(=O)N1CCCCC1)[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000408449980 298013132 /nfs/dbraw/zinc/01/31/32/298013132.db2.gz CONXRNQFAPKVRB-CHWSQXEVSA-N 1 2 302.440 0.754 10 0 DCAELO CN(C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1CCNC1=O ZINC000332753012 332862828 /nfs/dbraw/zinc/86/28/28/332862828.db2.gz GHHJMRPYEYZEDU-NWDGAFQWSA-N 1 2 303.366 0.190 10 0 DCAELO C[C@H]1C(=O)NCCC[N@H+]1Cc1cnc(N2CCOCC2)s1 ZINC000189083240 333062861 /nfs/dbraw/zinc/06/28/61/333062861.db2.gz OJAULZHALWMSOW-NSHDSACASA-N 1 2 310.423 0.690 10 0 DCAELO C[C@H]1C(=O)NCCC[N@@H+]1Cc1cnc(N2CCOCC2)s1 ZINC000189083240 333062862 /nfs/dbraw/zinc/06/28/62/333062862.db2.gz OJAULZHALWMSOW-NSHDSACASA-N 1 2 310.423 0.690 10 0 DCAELO Cn1cnc(-c2ccc(OC[C@@H](O)C[NH+]3CCOCC3)cc2)n1 ZINC000189471113 333090097 /nfs/dbraw/zinc/09/00/97/333090097.db2.gz CRRHUGKEFBAYBA-AWEZNQCLSA-N 1 2 318.377 0.554 10 0 DCAELO Cc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1 ZINC000187129415 534170638 /nfs/dbraw/zinc/17/06/38/534170638.db2.gz PHTUOJBOYSSGGV-ZDUSSCGKSA-N 1 2 305.378 0.459 10 0 DCAELO Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1 ZINC000187129415 534170648 /nfs/dbraw/zinc/17/06/48/534170648.db2.gz PHTUOJBOYSSGGV-ZDUSSCGKSA-N 1 2 305.378 0.459 10 0 DCAELO CC(=O)c1ccc(C(=O)NC[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000128108534 518320884 /nfs/dbraw/zinc/32/08/84/518320884.db2.gz YOPNMAKICDVBPM-HNNXBMFYSA-N 1 2 306.362 0.312 10 0 DCAELO C[C@@H]1CN(C(=O)c2ccc(C(N)=O)s2)C[C@@H]1[NH+]1CCOCC1 ZINC000173962643 534413120 /nfs/dbraw/zinc/41/31/20/534413120.db2.gz GSAAQNBVXNNRJE-MNOVXSKESA-N 1 2 323.418 0.640 10 0 DCAELO CC(=O)NC1CN(C(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000189807110 519648402 /nfs/dbraw/zinc/64/84/02/519648402.db2.gz SSTPMEXJOBDFQE-UHFFFAOYSA-N 1 2 314.349 0.297 10 0 DCAELO COc1c(CN2CC[NH+](CC(=O)NC3CC3)CC2)c(C)nn1C ZINC000120763721 521815667 /nfs/dbraw/zinc/81/56/67/521815667.db2.gz WLGJGQKITLIIST-UHFFFAOYSA-N 1 2 321.425 0.133 10 0 DCAELO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000246248030 524096692 /nfs/dbraw/zinc/09/66/92/524096692.db2.gz VXUNHZHWXBDHOH-ZFWWWQNUSA-N 1 2 322.453 0.269 10 0 DCAELO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCN2CCCC[C@H]2C1 ZINC000246248030 524096704 /nfs/dbraw/zinc/09/67/04/524096704.db2.gz 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ZINC000128055298 526484566 /nfs/dbraw/zinc/48/45/66/526484566.db2.gz ZAHCFIMWONMYPH-CQSZACIVSA-N 1 2 315.373 0.658 10 0 DCAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1c(F)ccc(F)c1F ZINC000127314913 526484879 /nfs/dbraw/zinc/48/48/79/526484879.db2.gz LQKVEPYCOOSHGN-SECBINFHSA-N 1 2 318.295 0.527 10 0 DCAELO CC(=O)[C@@](C)(O)C[NH+]1CCN(C(=O)Cc2ccccc2)CC1 ZINC000331337730 527138099 /nfs/dbraw/zinc/13/80/99/527138099.db2.gz QYZDIZYSXZPDBP-KRWDZBQOSA-N 1 2 304.390 0.713 10 0 DCAELO Cn1nccc1C1CCN(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000154820302 527597406 /nfs/dbraw/zinc/59/74/06/527597406.db2.gz RLPMIWTZMGMGTA-UHFFFAOYSA-N 1 2 321.425 0.641 10 0 DCAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C[C@H](O)COC(C)C)CC1 ZINC000105903371 527630724 /nfs/dbraw/zinc/63/07/24/527630724.db2.gz DVXLVFZLENGCMW-INIZCTEOSA-N 1 2 324.469 0.940 10 0 DCAELO CCC(=O)N1CCC[C@@H](C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000172743690 528307984 /nfs/dbraw/zinc/30/79/84/528307984.db2.gz GWIGBKLCYSSDBH-CABCVRRESA-N 1 2 323.437 0.568 10 0 DCAELO CC[C@H](SC)C(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000328639454 529170689 /nfs/dbraw/zinc/17/06/89/529170689.db2.gz PNEPMKHDHBTKEO-MNOVXSKESA-N 1 2 303.428 0.822 10 0 DCAELO CC[C@H](SC)C(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000328639454 529170691 /nfs/dbraw/zinc/17/06/91/529170691.db2.gz PNEPMKHDHBTKEO-MNOVXSKESA-N 1 2 303.428 0.822 10 0 DCAELO CCO[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC000275526145 535425582 /nfs/dbraw/zinc/42/55/82/535425582.db2.gz BVNIUYKEFBJTPU-HZSPNIEDSA-N 1 2 304.394 0.934 10 0 DCAELO CCO[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000275526145 535425586 /nfs/dbraw/zinc/42/55/86/535425586.db2.gz BVNIUYKEFBJTPU-HZSPNIEDSA-N 1 2 304.394 0.934 10 0 DCAELO CO[C@H]1C[C@@H](C(N)=O)[N@H+](CC(=O)NCc2ccccc2C)C1 ZINC000284787017 536776290 /nfs/dbraw/zinc/77/62/90/536776290.db2.gz YRXGDEUFUDOONP-KBPBESRZSA-N 1 2 305.378 0.186 10 0 DCAELO CO[C@H]1C[C@@H](C(N)=O)[N@@H+](CC(=O)NCc2ccccc2C)C1 ZINC000284787017 536776296 /nfs/dbraw/zinc/77/62/96/536776296.db2.gz YRXGDEUFUDOONP-KBPBESRZSA-N 1 2 305.378 0.186 10 0 DCAELO CO[C@H]1C[C@@H](C(N)=O)[N@H+](CC(=O)NCc2cccc(C)c2)C1 ZINC000284588328 536776650 /nfs/dbraw/zinc/77/66/50/536776650.db2.gz IUBLDMWTKRMXKW-KBPBESRZSA-N 1 2 305.378 0.186 10 0 DCAELO CO[C@H]1C[C@@H](C(N)=O)[N@@H+](CC(=O)NCc2cccc(C)c2)C1 ZINC000284588328 536776655 /nfs/dbraw/zinc/77/66/55/536776655.db2.gz IUBLDMWTKRMXKW-KBPBESRZSA-N 1 2 305.378 0.186 10 0 DCAELO COC(=O)c1cc(C)cc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)c1 ZINC000457669193 536882545 /nfs/dbraw/zinc/88/25/45/536882545.db2.gz SQSGQARFZHSUJF-HNNXBMFYSA-N 1 2 317.389 0.511 10 0 DCAELO COc1nccc(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC000285229503 537146819 /nfs/dbraw/zinc/14/68/19/537146819.db2.gz PTHCBWMZZWHTEW-QWRGUYRKSA-N 1 2 307.354 0.422 10 0 DCAELO COc1nccc(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000285229503 537146820 /nfs/dbraw/zinc/14/68/20/537146820.db2.gz PTHCBWMZZWHTEW-QWRGUYRKSA-N 1 2 307.354 0.422 10 0 DCAELO 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ZINC000728282712 662374272 /nfs/dbraw/zinc/37/42/72/662374272.db2.gz SKRIKYKVECUMEW-LBPRGKRZSA-N 1 2 315.439 0.135 10 0 DCAELO Cc1ccc(C[NH+]2CCN([C@@]3(C(N)=O)CCOC3)CC2)cc1F ZINC000886026672 667725389 /nfs/dbraw/zinc/72/53/89/667725389.db2.gz GBKRTZRAOCUXFY-KRWDZBQOSA-N 1 2 321.396 0.896 10 0 DCAELO C[C@@H](C(=O)NCc1ncc(Cl)s1)N1CC[NH2+]CC1=O ZINC000719443276 685311182 /nfs/dbraw/zinc/31/11/82/685311182.db2.gz UBKWGNVOFXKNBW-ZETCQYMHSA-N 1 2 302.787 0.233 10 0 DCAELO COCCCOCC[N@H+](C)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000245591578 685158100 /nfs/dbraw/zinc/15/81/00/685158100.db2.gz LLHLXIUEEGUWMN-ZIAGYGMSSA-N 1 2 310.394 0.880 10 0 DCAELO COCCCOCC[N@@H+](C)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000245591578 685158104 /nfs/dbraw/zinc/15/81/04/685158104.db2.gz LLHLXIUEEGUWMN-ZIAGYGMSSA-N 1 2 310.394 0.880 10 0 DCAELO C[N@@H+](CC(N)=O)C[C@H]1CN(CCc2ccccc2F)CCO1 ZINC000275854522 529852393 /nfs/dbraw/zinc/85/23/93/529852393.db2.gz XDYFCEVWGQMZAO-AWEZNQCLSA-N 1 2 309.385 0.486 10 0 DCAELO 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302.338 0.905 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cnns2)nc[nH+]1 ZINC000173431756 198214110 /nfs/dbraw/zinc/21/41/10/198214110.db2.gz ZILYMAYLKPLZJU-VIFPVBQESA-N 1 2 319.394 0.769 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cnns2)[nH+]cn1 ZINC000173431756 198214112 /nfs/dbraw/zinc/21/41/12/198214112.db2.gz ZILYMAYLKPLZJU-VIFPVBQESA-N 1 2 319.394 0.769 10 0 DCAELO CCCN(C)S(=O)(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000246924671 283067520 /nfs/dbraw/zinc/06/75/20/283067520.db2.gz GXCPFNDVNROUGT-AWEZNQCLSA-N 1 2 319.471 0.760 10 0 DCAELO C[C@H](NC(=O)NC(CO)CO)c1cccc(-n2cc[nH+]c2)c1 ZINC000074876515 191377471 /nfs/dbraw/zinc/37/74/71/191377471.db2.gz SXJJUIJIDHEREG-NSHDSACASA-N 1 2 304.350 0.586 10 0 DCAELO C[N@H+](CC(=O)NCC(=O)N1CCCC1)Cc1ccc(Cl)nc1 ZINC000080909126 192199732 /nfs/dbraw/zinc/19/97/32/192199732.db2.gz CYLBIECBLFPPEQ-UHFFFAOYSA-N 1 2 324.812 0.905 10 0 DCAELO C[N@@H+](CC(=O)NCC(=O)N1CCCC1)Cc1ccc(Cl)nc1 ZINC000080909126 192199734 /nfs/dbraw/zinc/19/97/34/192199734.db2.gz CYLBIECBLFPPEQ-UHFFFAOYSA-N 1 2 324.812 0.905 10 0 DCAELO CCN(Cc1ccccc1)C(=O)CNC(=O)[C@H]1COCC[NH2+]1 ZINC000236949271 202088235 /nfs/dbraw/zinc/08/82/35/202088235.db2.gz MCRWDCXRZXKGNI-CQSZACIVSA-N 1 2 305.378 0.140 10 0 DCAELO COc1cc(F)cc(CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000179454044 199037958 /nfs/dbraw/zinc/03/79/58/199037958.db2.gz CLSKXUWWPRUUBR-CQSZACIVSA-N 1 2 311.357 0.964 10 0 DCAELO COc1cc(F)cc(CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000179454044 199037960 /nfs/dbraw/zinc/03/79/60/199037960.db2.gz CLSKXUWWPRUUBR-CQSZACIVSA-N 1 2 311.357 0.964 10 0 DCAELO Cc1[nH+]c2ccccc2n1CC(=O)N1CCOC[C@@H]1C(N)=O ZINC000180192065 199128993 /nfs/dbraw/zinc/12/89/93/199128993.db2.gz VOJBTCINTNOMKT-CYBMUJFWSA-N 1 2 302.334 0.057 10 0 DCAELO O=C(c1nccn1C[C@@H](O)C[NH+]1CCOCC1)c1cccnc1 ZINC000186763267 237321528 /nfs/dbraw/zinc/32/15/28/237321528.db2.gz GEIUMPMHVQUVMO-AWEZNQCLSA-N 1 2 316.361 0.202 10 0 DCAELO Cc1ccccc1CS(=O)(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000188283132 200222189 /nfs/dbraw/zinc/22/21/89/200222189.db2.gz XWGRJKSBHRUKMR-CQSZACIVSA-N 1 2 312.435 0.823 10 0 DCAELO CN(C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C)C(=O)C1(O)CCC1 ZINC000281221126 216163100 /nfs/dbraw/zinc/16/31/00/216163100.db2.gz NQYRFNBSTAWYJA-STQMWFEESA-N 1 2 324.400 0.706 10 0 DCAELO COC(=O)[C@@H]1CCC[C@H](C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)C1 ZINC000408022181 284023326 /nfs/dbraw/zinc/02/33/26/284023326.db2.gz RQEOFMHXKBDCDF-XGUBFFRZSA-N 1 2 324.421 0.897 10 0 DCAELO COC(=O)[C@@H]1CCC[C@H](C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)C1 ZINC000408022181 284023331 /nfs/dbraw/zinc/02/33/31/284023331.db2.gz RQEOFMHXKBDCDF-XGUBFFRZSA-N 1 2 324.421 0.897 10 0 DCAELO C[C@@H](c1cccnc1)[N@H+](C)CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000093234530 193220335 /nfs/dbraw/zinc/22/03/35/193220335.db2.gz VNDNWSWYVFZGGD-JSGCOSHPSA-N 1 2 304.394 0.798 10 0 DCAELO C[C@@H](c1cccnc1)[N@@H+](C)CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000093234530 193220337 /nfs/dbraw/zinc/22/03/37/193220337.db2.gz VNDNWSWYVFZGGD-JSGCOSHPSA-N 1 2 304.394 0.798 10 0 DCAELO COC(=O)c1ccccc1C[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000093530695 193265809 /nfs/dbraw/zinc/26/58/09/193265809.db2.gz FVFYWIKQDMHPQO-GFCCVEGCSA-N 1 2 312.391 0.597 10 0 DCAELO COC(=O)c1ccccc1C[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000093530695 193265811 /nfs/dbraw/zinc/26/58/11/193265811.db2.gz FVFYWIKQDMHPQO-GFCCVEGCSA-N 1 2 312.391 0.597 10 0 DCAELO COc1c(C[N@@H+]2CCc3nn(C)c(=O)cc3C2)c(C)nn1C ZINC000093756504 193300626 /nfs/dbraw/zinc/30/06/26/193300626.db2.gz QAQKSYBIBMLYMU-UHFFFAOYSA-N 1 2 303.366 0.389 10 0 DCAELO COc1c(C[N@H+]2CCc3nn(C)c(=O)cc3C2)c(C)nn1C ZINC000093756504 193300627 /nfs/dbraw/zinc/30/06/27/193300627.db2.gz QAQKSYBIBMLYMU-UHFFFAOYSA-N 1 2 303.366 0.389 10 0 DCAELO O=C(N[C@@H]1CCC[C@H]2OCC[C@H]21)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000571684324 291527875 /nfs/dbraw/zinc/52/78/75/291527875.db2.gz HHQCIIVOLGULFZ-RRFJBIMHSA-N 1 2 321.421 0.367 10 0 DCAELO Cc1[nH+]c2ccccc2n1CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC000042849476 183314459 /nfs/dbraw/zinc/31/44/59/183314459.db2.gz LROXHMFZGYCCJP-NSHDSACASA-N 1 2 315.333 0.059 10 0 DCAELO O=C(C1=COCCO1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105816817 194136413 /nfs/dbraw/zinc/13/64/13/194136413.db2.gz MKHSYJZHPPBZCU-HNNXBMFYSA-N 1 2 318.373 0.752 10 0 DCAELO Cc1cnn(C[C@H]2C[N@H+](CCN3C(=O)CCC3=O)CCO2)c1 ZINC000105892472 194160608 /nfs/dbraw/zinc/16/06/08/194160608.db2.gz BMDBVOGTNOHVTP-CYBMUJFWSA-N 1 2 306.366 0.041 10 0 DCAELO Cc1cnn(C[C@H]2C[N@@H+](CCN3C(=O)CCC3=O)CCO2)c1 ZINC000105892472 194160610 /nfs/dbraw/zinc/16/06/10/194160610.db2.gz BMDBVOGTNOHVTP-CYBMUJFWSA-N 1 2 306.366 0.041 10 0 DCAELO C[C@@H]1CN(c2ccc(CNC(=O)NCCCO)c[nH+]2)C[C@H](C)O1 ZINC000047598325 183596788 /nfs/dbraw/zinc/59/67/88/183596788.db2.gz BCVKTBZVKKOWLI-BETUJISGSA-N 1 2 322.409 0.877 10 0 DCAELO CNC(=O)NC(=O)[C@@H](C)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000106372114 194202573 /nfs/dbraw/zinc/20/25/73/194202573.db2.gz RPFNTNUHKJLVTM-SNVBAGLBSA-N 1 2 307.398 0.746 10 0 DCAELO CC(=O)N1CC[NH+](CCNc2cnc3c(n2)CCCC3)CC1 ZINC000333511404 252732089 /nfs/dbraw/zinc/73/20/89/252732089.db2.gz JDOMTTGAUCNZQN-UHFFFAOYSA-N 1 2 303.410 0.931 10 0 DCAELO CNc1nc(C)cc(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)n1 ZINC000286533200 219040244 /nfs/dbraw/zinc/04/02/44/219040244.db2.gz VYWPCACQUIPPHK-CHWSQXEVSA-N 1 2 305.382 0.372 10 0 DCAELO CNc1nc(C)cc(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)n1 ZINC000286533200 219040245 /nfs/dbraw/zinc/04/02/45/219040245.db2.gz VYWPCACQUIPPHK-CHWSQXEVSA-N 1 2 305.382 0.372 10 0 DCAELO C[C@@H](NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)C1CCCC1 ZINC000175784747 533105338 /nfs/dbraw/zinc/10/53/38/533105338.db2.gz YDGBIEBFTFZJEM-UKRRQHHQSA-N 1 2 313.442 0.900 10 0 DCAELO CC(=O)[C@H](C)CCCCC(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000351484111 254338207 /nfs/dbraw/zinc/33/82/07/254338207.db2.gz QOMBMPCCOWIRSF-UKRRQHHQSA-N 1 2 314.426 0.581 10 0 DCAELO CS(=O)(=O)NC[C@H]1Cn2nccc2C[N@H+](Cc2ccco2)C1 ZINC000247520188 257118911 /nfs/dbraw/zinc/11/89/11/257118911.db2.gz LGPWRRPVRSYYRR-GFCCVEGCSA-N 1 2 324.406 0.657 10 0 DCAELO CS(=O)(=O)NC[C@H]1Cn2nccc2C[N@@H+](Cc2ccco2)C1 ZINC000247520188 257118913 /nfs/dbraw/zinc/11/89/13/257118913.db2.gz LGPWRRPVRSYYRR-GFCCVEGCSA-N 1 2 324.406 0.657 10 0 DCAELO CS(=O)(=O)NC[C@@H]1CCC2(C[NH+](Cc3ccco3)C2)OC1 ZINC000247557499 257119216 /nfs/dbraw/zinc/11/92/16/257119216.db2.gz XVKBLPZVJLVCRI-LBPRGKRZSA-N 1 2 314.407 0.810 10 0 DCAELO Cc1cc(CN2C[C@@H](F)C[C@H]2C[N@@H+](C)Cc2n[nH]c(=O)[nH]2)on1 ZINC000328643566 533630645 /nfs/dbraw/zinc/63/06/45/533630645.db2.gz RKSCURYLJWXFGH-QWRGUYRKSA-N 1 2 324.360 0.851 10 0 DCAELO Cc1cc(CN2C[C@@H](F)C[C@H]2C[N@H+](C)Cc2n[nH]c(=O)[nH]2)on1 ZINC000328643566 533630653 /nfs/dbraw/zinc/63/06/53/533630653.db2.gz RKSCURYLJWXFGH-QWRGUYRKSA-N 1 2 324.360 0.851 10 0 DCAELO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000283828752 131026901 /nfs/dbraw/zinc/02/69/01/131026901.db2.gz FARPWTNWZKJYRT-MGPQQGTHSA-N 1 2 307.398 0.386 10 0 DCAELO COc1ncccc1CNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000284005512 131040280 /nfs/dbraw/zinc/04/02/80/131040280.db2.gz MSRADTGWEOLJMG-KGLIPLIRSA-N 1 2 320.393 0.705 10 0 DCAELO COc1ncccc1CNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000284005512 131040281 /nfs/dbraw/zinc/04/02/81/131040281.db2.gz MSRADTGWEOLJMG-KGLIPLIRSA-N 1 2 320.393 0.705 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCCc3cccnc3)C[C@H]21 ZINC000284214091 131060590 /nfs/dbraw/zinc/06/05/90/131060590.db2.gz ZRLKFGGLBZBCLI-HUUCEWRRSA-N 1 2 304.394 0.739 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCCc3cccnc3)C[C@H]21 ZINC000284214091 131060591 /nfs/dbraw/zinc/06/05/91/131060591.db2.gz ZRLKFGGLBZBCLI-HUUCEWRRSA-N 1 2 304.394 0.739 10 0 DCAELO Cc1nc(N2C[C@@H](COCC(=O)N(C)C)OC(C)(C)C2)cc[nH+]1 ZINC000284955111 131126337 /nfs/dbraw/zinc/12/63/37/131126337.db2.gz JWEQNDXUVMLBGV-ZDUSSCGKSA-N 1 2 322.409 0.874 10 0 DCAELO Cn1cc(CCCNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)cn1 ZINC000285436232 131168691 /nfs/dbraw/zinc/16/86/91/131168691.db2.gz OCROZBVIKAFDJX-LSDHHAIUSA-N 1 2 321.425 0.467 10 0 DCAELO Cn1cc(CCCNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)cn1 ZINC000285436232 131168693 /nfs/dbraw/zinc/16/86/93/131168693.db2.gz OCROZBVIKAFDJX-LSDHHAIUSA-N 1 2 321.425 0.467 10 0 DCAELO CCOC(=O)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000120021694 285634852 /nfs/dbraw/zinc/63/48/52/285634852.db2.gz ZEYCPMCEQNDSHJ-CHWSQXEVSA-N 1 2 312.410 0.755 10 0 DCAELO Cc1cc2c(cc1C[N@@H+]1CC[NH2+]C[C@@H](C(=O)[O-])C1)OCCO2 ZINC000097547566 395758752 /nfs/dbraw/zinc/75/87/52/395758752.db2.gz CTUPRXFJHMRQAG-CYBMUJFWSA-N 1 2 306.362 0.872 10 0 DCAELO Cc1cc2c(cc1C[N@H+]1CC[NH2+]C[C@@H](C(=O)[O-])C1)OCCO2 ZINC000097547566 395758755 /nfs/dbraw/zinc/75/87/55/395758755.db2.gz CTUPRXFJHMRQAG-CYBMUJFWSA-N 1 2 306.362 0.872 10 0 DCAELO C[C@@H](NC(=O)Nc1ccccc1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000194637426 395803469 /nfs/dbraw/zinc/80/34/69/395803469.db2.gz HGZQNWBGESJDMD-OCCSQVGLSA-N 1 2 320.393 0.643 10 0 DCAELO C[C@@H](NC(=O)Nc1ccccc1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000194637426 395803472 /nfs/dbraw/zinc/80/34/72/395803472.db2.gz HGZQNWBGESJDMD-OCCSQVGLSA-N 1 2 320.393 0.643 10 0 DCAELO Cc1ccn(CC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c(=O)c1 ZINC000194763918 395807986 /nfs/dbraw/zinc/80/79/86/395807986.db2.gz BVBUFBULSDYLED-AWEZNQCLSA-N 1 2 305.378 0.090 10 0 DCAELO C[C@H](NC(=O)C[N@@H+]1CCC[C@H](c2nccs2)C1)C(=O)N(C)C ZINC000195339884 395825473 /nfs/dbraw/zinc/82/54/73/395825473.db2.gz JIMRKLAOLGKPAS-RYUDHWBXSA-N 1 2 324.450 0.915 10 0 DCAELO C[C@H](NC(=O)C[N@H+]1CCC[C@H](c2nccs2)C1)C(=O)N(C)C ZINC000195339884 395825475 /nfs/dbraw/zinc/82/54/75/395825475.db2.gz JIMRKLAOLGKPAS-RYUDHWBXSA-N 1 2 324.450 0.915 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@](C)(O)c2ccccc2)C1 ZINC000114526735 395835591 /nfs/dbraw/zinc/83/55/91/395835591.db2.gz CHOWQQZGBDQFHU-HOCLYGCPSA-N 1 2 307.394 0.524 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)NC[C@](C)(O)c2ccccc2)C1 ZINC000114526735 395835593 /nfs/dbraw/zinc/83/55/93/395835593.db2.gz CHOWQQZGBDQFHU-HOCLYGCPSA-N 1 2 307.394 0.524 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)NC[C@](C)(O)c2ccccc2)C1 ZINC000114526732 395835723 /nfs/dbraw/zinc/83/57/23/395835723.db2.gz CHOWQQZGBDQFHU-ZBFHGGJFSA-N 1 2 307.394 0.524 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)NC[C@](C)(O)c2ccccc2)C1 ZINC000114526732 395835726 /nfs/dbraw/zinc/83/57/26/395835726.db2.gz CHOWQQZGBDQFHU-ZBFHGGJFSA-N 1 2 307.394 0.524 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccccc2Cl)C1 ZINC000118115706 395860207 /nfs/dbraw/zinc/86/02/07/395860207.db2.gz WBBOVOSUIQZTKO-JTQLQIEISA-N 1 2 311.769 0.725 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccccc2Cl)C1 ZINC000118115706 395860210 /nfs/dbraw/zinc/86/02/10/395860210.db2.gz WBBOVOSUIQZTKO-JTQLQIEISA-N 1 2 311.769 0.725 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccccc2Cl)C1 ZINC000118115704 395860655 /nfs/dbraw/zinc/86/06/55/395860655.db2.gz WBBOVOSUIQZTKO-SNVBAGLBSA-N 1 2 311.769 0.725 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccccc2Cl)C1 ZINC000118115704 395860657 /nfs/dbraw/zinc/86/06/57/395860657.db2.gz WBBOVOSUIQZTKO-SNVBAGLBSA-N 1 2 311.769 0.725 10 0 DCAELO COCC[N@@H+]1CCN(C(=O)C(=O)Nc2cnccc2C)C[C@H]1C ZINC000117522737 395853112 /nfs/dbraw/zinc/85/31/12/395853112.db2.gz VEKBZQWGSDUGGS-CYBMUJFWSA-N 1 2 320.393 0.508 10 0 DCAELO COCC[N@H+]1CCN(C(=O)C(=O)Nc2cnccc2C)C[C@H]1C ZINC000117522737 395853113 /nfs/dbraw/zinc/85/31/13/395853113.db2.gz VEKBZQWGSDUGGS-CYBMUJFWSA-N 1 2 320.393 0.508 10 0 DCAELO COCCOc1cccc(C(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000194604104 395800444 /nfs/dbraw/zinc/80/04/44/395800444.db2.gz QWFAIPGIEOHRBN-HNNXBMFYSA-N 1 2 308.378 0.772 10 0 DCAELO COCCOc1cccc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000194604104 395800446 /nfs/dbraw/zinc/80/04/46/395800446.db2.gz QWFAIPGIEOHRBN-HNNXBMFYSA-N 1 2 308.378 0.772 10 0 DCAELO COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)NCCn1cc[nH+]c1 ZINC000234617138 395890227 /nfs/dbraw/zinc/89/02/27/395890227.db2.gz ZIZYLYJIWFHPIB-GHMZBOCLSA-N 1 2 301.368 0.144 10 0 DCAELO O=C(NC[C@@H]1COCCO1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000057080356 395938959 /nfs/dbraw/zinc/93/89/59/395938959.db2.gz CQHNJOWCOWCGTR-CQSZACIVSA-N 1 2 320.393 0.765 10 0 DCAELO OC[C@@H]1CCCN1c1cc(N2CCO[C@]3(CCOC3)C2)[nH+]cn1 ZINC000274434503 395947638 /nfs/dbraw/zinc/94/76/38/395947638.db2.gz SNNVDJQLFVQELR-XJKSGUPXSA-N 1 2 320.393 0.433 10 0 DCAELO OC[C@@H]1CCCN1c1cc(N2CCO[C@]3(CCOC3)C2)nc[nH+]1 ZINC000274434503 395947641 /nfs/dbraw/zinc/94/76/41/395947641.db2.gz SNNVDJQLFVQELR-XJKSGUPXSA-N 1 2 320.393 0.433 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)c2cccc(Br)n2)C1 ZINC000136738431 395948537 /nfs/dbraw/zinc/94/85/37/395948537.db2.gz HQZUGLFBSXEPPU-SECBINFHSA-N 1 2 314.183 0.905 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)c2cccc(Br)n2)C1 ZINC000136738431 395948538 /nfs/dbraw/zinc/94/85/38/395948538.db2.gz HQZUGLFBSXEPPU-SECBINFHSA-N 1 2 314.183 0.905 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H](CO)Cc2ccccc2)C1 ZINC000246465742 395951061 /nfs/dbraw/zinc/95/10/61/395951061.db2.gz PZMQUPKJWXPKME-HUUCEWRRSA-N 1 2 307.394 0.220 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)N[C@@H](CO)Cc2ccccc2)C1 ZINC000246465742 395951064 /nfs/dbraw/zinc/95/10/64/395951064.db2.gz PZMQUPKJWXPKME-HUUCEWRRSA-N 1 2 307.394 0.220 10 0 DCAELO CCc1cc(=O)[nH]c(CN2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1 ZINC000246638490 395955350 /nfs/dbraw/zinc/95/53/50/395955350.db2.gz OQAPFFUCJQUCTL-OCCSQVGLSA-N 1 2 306.410 0.897 10 0 DCAELO CCc1cc(=O)[nH]c(C[N@@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)n1 ZINC000246638490 395955353 /nfs/dbraw/zinc/95/53/53/395955353.db2.gz OQAPFFUCJQUCTL-OCCSQVGLSA-N 1 2 306.410 0.897 10 0 DCAELO CCc1cc(=O)[nH]c(C[N@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)n1 ZINC000246638490 395955358 /nfs/dbraw/zinc/95/53/58/395955358.db2.gz OQAPFFUCJQUCTL-OCCSQVGLSA-N 1 2 306.410 0.897 10 0 DCAELO CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCN(c2nccc(OC)n2)CC1 ZINC000140241397 395955970 /nfs/dbraw/zinc/95/59/70/395955970.db2.gz WLIDLURNPWNGGU-CHWSQXEVSA-N 1 2 321.425 0.910 10 0 DCAELO C[C@@H]1CN(C[C@@H](O)C[NH+]2CCOCC2)c2ccccc2NC1=O ZINC000246938061 395961734 /nfs/dbraw/zinc/96/17/34/395961734.db2.gz UBKZTAFMTWTEOU-KGLIPLIRSA-N 1 2 319.405 0.774 10 0 DCAELO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1Cc2ccccc2[C@H]1O ZINC000247272884 395970798 /nfs/dbraw/zinc/97/07/98/395970798.db2.gz YFIGCSOOGHZRBQ-UHOFOFEASA-N 1 2 319.405 0.665 10 0 DCAELO NC(=O)[C@@H]1CCC[C@H](NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000248820970 395997820 /nfs/dbraw/zinc/99/78/20/395997820.db2.gz BNWPOMPYFJCGCN-VNHYZAJKSA-N 1 2 323.437 0.790 10 0 DCAELO NC(=O)[C@@H]1CCC[C@H](NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000248820970 395997824 /nfs/dbraw/zinc/99/78/24/395997824.db2.gz BNWPOMPYFJCGCN-VNHYZAJKSA-N 1 2 323.437 0.790 10 0 DCAELO C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000253354600 396026417 /nfs/dbraw/zinc/02/64/17/396026417.db2.gz FADVGNKZMNCUOG-QWRGUYRKSA-N 1 2 314.411 0.743 10 0 DCAELO O=C(CSc1ccccc1)NC[C@H](O)C[NH+]1CCOCC1 ZINC000154142128 396032757 /nfs/dbraw/zinc/03/27/57/396032757.db2.gz DMHYMFDVQWECRL-ZDUSSCGKSA-N 1 2 310.419 0.588 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@](C)(O)c2cccs2)C1 ZINC000154151512 396032947 /nfs/dbraw/zinc/03/29/47/396032947.db2.gz UCMZYYDDJBHACP-FZMZJTMJSA-N 1 2 313.423 0.585 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)NC[C@](C)(O)c2cccs2)C1 ZINC000154151512 396032951 /nfs/dbraw/zinc/03/29/51/396032951.db2.gz UCMZYYDDJBHACP-FZMZJTMJSA-N 1 2 313.423 0.585 10 0 DCAELO Cc1nc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2cccnc2)cn1C ZINC000261674159 396055439 /nfs/dbraw/zinc/05/54/39/396055439.db2.gz JILAWFOTAOCBLO-ZDUSSCGKSA-N 1 2 321.406 0.459 10 0 DCAELO C[C@H]1CN(C(=O)COc2ccccc2O)C[C@H]1[NH+]1CCOCC1 ZINC000152315583 396005652 /nfs/dbraw/zinc/00/56/52/396005652.db2.gz BCVKFGLQVPLCLW-UONOGXRCSA-N 1 2 320.389 0.950 10 0 DCAELO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000250036849 396013891 /nfs/dbraw/zinc/01/38/91/396013891.db2.gz BCOPCIZQNXJUHG-VXGBXAGGSA-N 1 2 311.426 0.611 10 0 DCAELO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000250036849 396013893 /nfs/dbraw/zinc/01/38/93/396013893.db2.gz BCOPCIZQNXJUHG-VXGBXAGGSA-N 1 2 311.426 0.611 10 0 DCAELO C[NH+](C)C[C@@H]1CN(C(=O)c2cccc(-c3nnc[nH]3)c2)CCO1 ZINC000152979137 396018817 /nfs/dbraw/zinc/01/88/17/396018817.db2.gz DVGWZBOKXVKICA-CQSZACIVSA-N 1 2 315.377 0.874 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2cnc(-c3ncccn3)s2)C1 ZINC000171286926 396113077 /nfs/dbraw/zinc/11/30/77/396113077.db2.gz NANVJSQCVLLIEV-JTQLQIEISA-N 1 2 319.390 0.661 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)c2cnc(-c3ncccn3)s2)C1 ZINC000171286926 396113079 /nfs/dbraw/zinc/11/30/79/396113079.db2.gz NANVJSQCVLLIEV-JTQLQIEISA-N 1 2 319.390 0.661 10 0 DCAELO CSc1ncc(Cl)c(C(=O)NC[C@H]2C[N@H+](C)CCO2)n1 ZINC000171288510 396113096 /nfs/dbraw/zinc/11/30/96/396113096.db2.gz AMSLVJGGSGPELB-QMMMGPOBSA-N 1 2 316.814 0.912 10 0 DCAELO CSc1ncc(Cl)c(C(=O)NC[C@H]2C[N@@H+](C)CCO2)n1 ZINC000171288510 396113097 /nfs/dbraw/zinc/11/30/97/396113097.db2.gz AMSLVJGGSGPELB-QMMMGPOBSA-N 1 2 316.814 0.912 10 0 DCAELO C[C@H](O)c1ccc(CNC(=O)NC[C@H]2C[N@H+](C)CCO2)cc1 ZINC000171672913 396122877 /nfs/dbraw/zinc/12/28/77/396122877.db2.gz DLVHYVULJGWUQA-WFASDCNBSA-N 1 2 307.394 0.870 10 0 DCAELO C[C@H](O)c1ccc(CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000171672913 396122883 /nfs/dbraw/zinc/12/28/83/396122883.db2.gz DLVHYVULJGWUQA-WFASDCNBSA-N 1 2 307.394 0.870 10 0 DCAELO C[C@@H](CNC(=O)NC[C@@H](O)CC(C)(C)C)[NH+]1CCOCC1 ZINC000172282024 396130569 /nfs/dbraw/zinc/13/05/69/396130569.db2.gz AWYVRBGJVSMIPG-STQMWFEESA-N 1 2 301.431 0.803 10 0 DCAELO O=C(CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)N1CCc2ccccc2C1 ZINC000263308741 396212783 /nfs/dbraw/zinc/21/27/83/396212783.db2.gz YGHMHABZVRJVHB-ZDUSSCGKSA-N 1 2 323.343 0.685 10 0 DCAELO Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000176153789 396150584 /nfs/dbraw/zinc/15/05/84/396150584.db2.gz QMDNNPAAHQHAQF-NSHDSACASA-N 1 2 322.409 0.436 10 0 DCAELO Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000176153789 396150588 /nfs/dbraw/zinc/15/05/88/396150588.db2.gz QMDNNPAAHQHAQF-NSHDSACASA-N 1 2 322.409 0.436 10 0 DCAELO O=C(NCc1ccn2cc[nH+]c2c1)N[C@@H]1CCc2ncnn2C1 ZINC000177628543 396180181 /nfs/dbraw/zinc/18/01/81/396180181.db2.gz FKYGCRHBYJFQJP-GFCCVEGCSA-N 1 2 311.349 0.740 10 0 DCAELO O=C(NCCOc1ccc2c(c1)OCO2)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262964256 396194791 /nfs/dbraw/zinc/19/47/91/396194791.db2.gz KZIASBHHIOBUPX-JTQLQIEISA-N 1 2 314.288 0.908 10 0 DCAELO CC(C)C(=O)N1CCC(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263015888 396197577 /nfs/dbraw/zinc/19/75/77/396197577.db2.gz QJQVLZXACMVZFY-LLVKDONJSA-N 1 2 303.353 0.747 10 0 DCAELO CC(C)N1C(=O)CN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1(C)C ZINC000263014753 396198056 /nfs/dbraw/zinc/19/80/56/396198056.db2.gz QFOSZYZKTHLURZ-JTQLQIEISA-N 1 2 303.353 0.841 10 0 DCAELO Cn1nc2c(cc1=O)C[N@@H+](CC(=O)NC1CCCCC1)CC2 ZINC000078621737 396250148 /nfs/dbraw/zinc/25/01/48/396250148.db2.gz NQSCCGDQQDJKPY-UHFFFAOYSA-N 1 2 304.394 0.587 10 0 DCAELO Cn1nc2c(cc1=O)C[N@H+](CC(=O)NC1CCCCC1)CC2 ZINC000078621737 396250150 /nfs/dbraw/zinc/25/01/50/396250150.db2.gz NQSCCGDQQDJKPY-UHFFFAOYSA-N 1 2 304.394 0.587 10 0 DCAELO CCCCNC(=O)C[NH+]1CCN(c2cc(OC)ncn2)CC1 ZINC000184064968 396283416 /nfs/dbraw/zinc/28/34/16/396283416.db2.gz OBHBSRBIFAJOSS-UHFFFAOYSA-N 1 2 307.398 0.524 10 0 DCAELO C[C@]1(C(N)=O)CCCC[N@@H+]1CC(=O)NCCOc1ccccc1 ZINC000185954611 396337744 /nfs/dbraw/zinc/33/77/44/396337744.db2.gz UMOKPVPPPQKXMI-QGZVFWFLSA-N 1 2 319.405 0.912 10 0 DCAELO C[C@]1(C(N)=O)CCCC[N@H+]1CC(=O)NCCOc1ccccc1 ZINC000185954611 396337747 /nfs/dbraw/zinc/33/77/47/396337747.db2.gz UMOKPVPPPQKXMI-QGZVFWFLSA-N 1 2 319.405 0.912 10 0 DCAELO CCOC(=O)c1nn(C)cc1C[N@@H+]1CCC[C@H](NC(C)=O)C1 ZINC000186182385 396343670 /nfs/dbraw/zinc/34/36/70/396343670.db2.gz LBBXBZYZEOVGLT-ZDUSSCGKSA-N 1 2 308.382 0.697 10 0 DCAELO CCOC(=O)c1nn(C)cc1C[N@H+]1CCC[C@H](NC(C)=O)C1 ZINC000186182385 396343674 /nfs/dbraw/zinc/34/36/74/396343674.db2.gz LBBXBZYZEOVGLT-ZDUSSCGKSA-N 1 2 308.382 0.697 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)NCC[C@@](C)(O)c2ccccc2)C1 ZINC000186565628 396352715 /nfs/dbraw/zinc/35/27/15/396352715.db2.gz GURXGARRYZUZIP-NVXWUHKLSA-N 1 2 321.421 0.914 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)NCC[C@@](C)(O)c2ccccc2)C1 ZINC000186565628 396352716 /nfs/dbraw/zinc/35/27/16/396352716.db2.gz GURXGARRYZUZIP-NVXWUHKLSA-N 1 2 321.421 0.914 10 0 DCAELO Cc1noc(C)c1CCNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000285607306 396351381 /nfs/dbraw/zinc/35/13/81/396351381.db2.gz XWMDHFGHJKXXKP-GJZGRUSLSA-N 1 2 322.409 0.948 10 0 DCAELO Cc1noc(C)c1CCNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000285607306 396351383 /nfs/dbraw/zinc/35/13/83/396351383.db2.gz XWMDHFGHJKXXKP-GJZGRUSLSA-N 1 2 322.409 0.948 10 0 DCAELO CC(=O)N1CC(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000188432682 396382428 /nfs/dbraw/zinc/38/24/28/396382428.db2.gz IAZIXIIBKWDTFS-HNNXBMFYSA-N 1 2 309.410 0.178 10 0 DCAELO COCCN1CCC[N@H+](CCn2c(C)csc2=O)CC1=O ZINC000190794260 396411526 /nfs/dbraw/zinc/41/15/26/396411526.db2.gz JTWDGFRJICZFSY-UHFFFAOYSA-N 1 2 313.423 0.399 10 0 DCAELO COCCN1CCC[N@@H+](CCn2c(C)csc2=O)CC1=O ZINC000190794260 396411529 /nfs/dbraw/zinc/41/15/29/396411529.db2.gz JTWDGFRJICZFSY-UHFFFAOYSA-N 1 2 313.423 0.399 10 0 DCAELO C[C@@H]1C(=O)NCCCN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000191119676 396415688 /nfs/dbraw/zinc/41/56/88/396415688.db2.gz ZAWYLZJGXKAVJD-GFCCVEGCSA-N 1 2 312.414 0.017 10 0 DCAELO COc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1CCCN(C)C(=O)C1 ZINC000191135057 396415872 /nfs/dbraw/zinc/41/58/72/396415872.db2.gz NHVBBXACFVXLAN-CYBMUJFWSA-N 1 2 319.405 0.864 10 0 DCAELO COc1ccccc1CNC(=O)[C@@H](C)[N@H+]1CCCN(C)C(=O)C1 ZINC000191135057 396415873 /nfs/dbraw/zinc/41/58/73/396415873.db2.gz NHVBBXACFVXLAN-CYBMUJFWSA-N 1 2 319.405 0.864 10 0 DCAELO Nc1[nH+]cnc(N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c1Cl ZINC000528216245 396549349 /nfs/dbraw/zinc/54/93/49/396549349.db2.gz JLNDQOQTUOIQBY-SFYZADRCSA-N 1 2 302.787 0.868 10 0 DCAELO CCOC(=O)C[C@H](C)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000581579447 396566055 /nfs/dbraw/zinc/56/60/55/396566055.db2.gz YIUCTKHFQFNUPF-JTQLQIEISA-N 1 2 318.333 0.731 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1nnnn1C)C2 ZINC000530378266 396575806 /nfs/dbraw/zinc/57/58/06/396575806.db2.gz NSVXVBGHPATBGI-VIFPVBQESA-N 1 2 303.370 0.478 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1nnnn1C)CC2 ZINC000530378266 396575810 /nfs/dbraw/zinc/57/58/10/396575810.db2.gz NSVXVBGHPATBGI-VIFPVBQESA-N 1 2 303.370 0.478 10 0 DCAELO Cn1ncc2c1nc[nH+]c2NCCCN1CCCS1(=O)=O ZINC000585744848 396651961 /nfs/dbraw/zinc/65/19/61/396651961.db2.gz BCBKHGUKCQTPRK-UHFFFAOYSA-N 1 2 310.383 0.201 10 0 DCAELO CCCCN(CCO)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000560982986 396627588 /nfs/dbraw/zinc/62/75/88/396627588.db2.gz WOHCJEYYVSZIKM-UHFFFAOYSA-N 1 2 304.350 0.894 10 0 DCAELO O=C(CNC(=O)c1ccncc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000588217174 396681503 /nfs/dbraw/zinc/68/15/03/396681503.db2.gz UQOZWQQIMBXPGB-UHFFFAOYSA-N 1 2 313.361 0.941 10 0 DCAELO CN1CC[C@@H](C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)CC1=O ZINC000374378145 396659535 /nfs/dbraw/zinc/65/95/35/396659535.db2.gz QBPDAGNRJIIEOX-KGLIPLIRSA-N 1 2 302.378 0.423 10 0 DCAELO CO[C@@H](C(=O)N1CCn2c(C)c(C)[nH+]c2C1)c1cnn(C)c1 ZINC000375619043 396782656 /nfs/dbraw/zinc/78/26/56/396782656.db2.gz CBQCODKKDPAWGD-CQSZACIVSA-N 1 2 303.366 0.963 10 0 DCAELO COC[C@H](C)OC[C@@H](O)C[NH+]1CC(O)(c2ccc(F)cc2)C1 ZINC000375353902 396731672 /nfs/dbraw/zinc/73/16/72/396731672.db2.gz MKHBERXFFKSPTM-WFASDCNBSA-N 1 2 313.369 0.741 10 0 DCAELO CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)C(C)(CO)CO)C1 ZINC000328620204 396824068 /nfs/dbraw/zinc/82/40/68/396824068.db2.gz GUQNOLKWZHNKIM-LBPRGKRZSA-N 1 2 323.393 0.118 10 0 DCAELO c1nnc2n1CCN(c1cc(N[C@H]3CCCOC3)[nH+]cn1)C2 ZINC000328648990 396828118 /nfs/dbraw/zinc/82/81/18/396828118.db2.gz UVONPIAXZFFEGS-NSHDSACASA-N 1 2 301.354 0.679 10 0 DCAELO c1nnc2n1CCN(c1cc(N[C@H]3CCCOC3)nc[nH+]1)C2 ZINC000328648990 396828125 /nfs/dbraw/zinc/82/81/25/396828125.db2.gz UVONPIAXZFFEGS-NSHDSACASA-N 1 2 301.354 0.679 10 0 DCAELO CN(C[C@H]1CCn2cc[nH+]c2C1)C(=O)CN1CCCCC1=O ZINC000328643244 396828390 /nfs/dbraw/zinc/82/83/90/396828390.db2.gz YRCRZFTZRNNFAA-ZDUSSCGKSA-N 1 2 304.394 0.916 10 0 DCAELO O=S(=O)(CC[C@@H]1CCCO1)NC[C@H]1CCn2cc[nH+]c2C1 ZINC000328639758 396829662 /nfs/dbraw/zinc/82/96/62/396829662.db2.gz XBYOFKCPQZLLNU-STQMWFEESA-N 1 2 313.423 0.934 10 0 DCAELO COc1cccc(OC)c1C(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000341853654 396983205 /nfs/dbraw/zinc/98/32/05/396983205.db2.gz TYGLNXXUFJCMOT-BXUZGUMPSA-N 1 2 306.362 0.859 10 0 DCAELO COc1cccc(OC)c1C(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000341853654 396983209 /nfs/dbraw/zinc/98/32/09/396983209.db2.gz TYGLNXXUFJCMOT-BXUZGUMPSA-N 1 2 306.362 0.859 10 0 DCAELO CC(C)(CNC(=O)N1CC[C@H](CC(N)=O)C1)[NH+]1CCOCC1 ZINC000376817190 396983383 /nfs/dbraw/zinc/98/33/83/396983383.db2.gz AGJBRRXENKHMEG-GFCCVEGCSA-N 1 2 312.414 0.004 10 0 DCAELO C[C@H]1CCOCC[N@@H+]1CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O ZINC000378456110 397242824 /nfs/dbraw/zinc/24/28/24/397242824.db2.gz AYHGUYQBWNYVLM-VIFPVBQESA-N 1 2 322.365 0.160 10 0 DCAELO C[C@H]1CCOCC[N@H+]1CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O ZINC000378456110 397242830 /nfs/dbraw/zinc/24/28/30/397242830.db2.gz AYHGUYQBWNYVLM-VIFPVBQESA-N 1 2 322.365 0.160 10 0 DCAELO C[C@@H]1CCOCC[N@@H+]1CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O ZINC000378456107 397243076 /nfs/dbraw/zinc/24/30/76/397243076.db2.gz AYHGUYQBWNYVLM-SECBINFHSA-N 1 2 322.365 0.160 10 0 DCAELO C[C@@H]1CCOCC[N@H+]1CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O ZINC000378456107 397243081 /nfs/dbraw/zinc/24/30/81/397243081.db2.gz AYHGUYQBWNYVLM-SECBINFHSA-N 1 2 322.365 0.160 10 0 DCAELO C[C@H](Oc1ccccn1)C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000428189559 397408980 /nfs/dbraw/zinc/40/89/80/397408980.db2.gz BQINDGVBKDXDHG-IHRRRGAJSA-N 1 2 305.378 0.780 10 0 DCAELO C[C@H](Oc1ccccn1)C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000428189559 397408983 /nfs/dbraw/zinc/40/89/83/397408983.db2.gz BQINDGVBKDXDHG-IHRRRGAJSA-N 1 2 305.378 0.780 10 0 DCAELO CC(=O)CSCC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594099195 397500327 /nfs/dbraw/zinc/50/03/27/397500327.db2.gz NNOQUMXCGQOFAR-WCFLWFBJSA-N 1 2 302.440 0.923 10 0 DCAELO CC(=O)CSCC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594099195 397500330 /nfs/dbraw/zinc/50/03/30/397500330.db2.gz NNOQUMXCGQOFAR-WCFLWFBJSA-N 1 2 302.440 0.923 10 0 DCAELO COC[C@H](CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)OC ZINC000579750097 397591948 /nfs/dbraw/zinc/59/19/48/397591948.db2.gz ANIZNAPYUPDESQ-NSHDSACASA-N 1 2 306.322 0.050 10 0 DCAELO Cc1occc1C(=O)NCC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000607974110 397711486 /nfs/dbraw/zinc/71/14/86/397711486.db2.gz KRFLBUJKTKPBNM-ZDUSSCGKSA-N 1 2 321.377 0.251 10 0 DCAELO CCOCCNC(=O)C[N@@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC ZINC000247103758 286095130 /nfs/dbraw/zinc/09/51/30/286095130.db2.gz ZQFHXJKJIOSDAJ-MJBXVCDLSA-N 1 2 312.410 0.945 10 0 DCAELO CCOCCNC(=O)C[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC ZINC000247103758 286095131 /nfs/dbraw/zinc/09/51/31/286095131.db2.gz ZQFHXJKJIOSDAJ-MJBXVCDLSA-N 1 2 312.410 0.945 10 0 DCAELO O=C([C@@H]1C[C@@H](F)C[N@H+]1CCc1ccncc1)N1CCOCC1 ZINC000299746479 304378890 /nfs/dbraw/zinc/37/88/90/304378890.db2.gz XRCSDMGNYHASEU-CABCVRRESA-N 1 2 307.369 0.895 10 0 DCAELO O=C([C@@H]1C[C@@H](F)C[N@@H+]1CCc1ccncc1)N1CCOCC1 ZINC000299746479 304378891 /nfs/dbraw/zinc/37/88/91/304378891.db2.gz XRCSDMGNYHASEU-CABCVRRESA-N 1 2 307.369 0.895 10 0 DCAELO O=C(CCn1cncn1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000047123365 158002940 /nfs/dbraw/zinc/00/29/40/158002940.db2.gz VJZADMSXZQKGRP-UHFFFAOYSA-N 1 2 300.366 0.848 10 0 DCAELO CCNc1nnc(SC[C@H](O)C[NH+]2CCOCC2)s1 ZINC000048430378 158005629 /nfs/dbraw/zinc/00/56/29/158005629.db2.gz VQXNZLHRIOKAQU-SECBINFHSA-N 1 2 304.441 0.755 10 0 DCAELO C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CCNC(=O)CC1 ZINC000054257830 158019828 /nfs/dbraw/zinc/01/98/28/158019828.db2.gz QPOXNVZADXVMMX-NSHDSACASA-N 1 2 310.398 0.355 10 0 DCAELO C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CCNC(=O)CC1 ZINC000054257830 158019832 /nfs/dbraw/zinc/01/98/32/158019832.db2.gz QPOXNVZADXVMMX-NSHDSACASA-N 1 2 310.398 0.355 10 0 DCAELO COc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CCNC(=O)CC1 ZINC000054259033 158020144 /nfs/dbraw/zinc/02/01/44/158020144.db2.gz XODRUJPYTJQZMC-LBPRGKRZSA-N 1 2 305.378 0.522 10 0 DCAELO COc1ccccc1CNC(=O)[C@H](C)[N@H+]1CCNC(=O)CC1 ZINC000054259033 158020145 /nfs/dbraw/zinc/02/01/45/158020145.db2.gz XODRUJPYTJQZMC-LBPRGKRZSA-N 1 2 305.378 0.522 10 0 DCAELO COc1c(C)cc(C[N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)cc1C ZINC000091866214 158111276 /nfs/dbraw/zinc/11/12/76/158111276.db2.gz PWGCMNGBGLXGCM-AWEZNQCLSA-N 1 2 317.389 0.455 10 0 DCAELO COc1c(C)cc(C[N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)cc1C ZINC000091866214 158111278 /nfs/dbraw/zinc/11/12/78/158111278.db2.gz PWGCMNGBGLXGCM-AWEZNQCLSA-N 1 2 317.389 0.455 10 0 DCAELO CCS(=O)(=O)CC[N@@H+]1CCCN(Cc2noc(C)n2)CC1 ZINC000105867880 158130580 /nfs/dbraw/zinc/13/05/80/158130580.db2.gz OJKGGLQKERCKIM-UHFFFAOYSA-N 1 2 316.427 0.320 10 0 DCAELO CCS(=O)(=O)CC[N@H+]1CCCN(Cc2noc(C)n2)CC1 ZINC000105867880 158130581 /nfs/dbraw/zinc/13/05/81/158130581.db2.gz OJKGGLQKERCKIM-UHFFFAOYSA-N 1 2 316.427 0.320 10 0 DCAELO Cc1ccn2ncc(C(=O)NC[C@H]3C[N@@H+](C4CC4)CCO3)c2n1 ZINC000114856844 158157099 /nfs/dbraw/zinc/15/70/99/158157099.db2.gz DJLIDYWGODTVGV-ZDUSSCGKSA-N 1 2 315.377 0.631 10 0 DCAELO Cc1ccn2ncc(C(=O)NC[C@H]3C[N@H+](C4CC4)CCO3)c2n1 ZINC000114856844 158157104 /nfs/dbraw/zinc/15/71/04/158157104.db2.gz DJLIDYWGODTVGV-ZDUSSCGKSA-N 1 2 315.377 0.631 10 0 DCAELO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)CCC2CC2)CC1 ZINC000115376873 158161538 /nfs/dbraw/zinc/16/15/38/158161538.db2.gz WLSKFRZCQZNPDH-AWEZNQCLSA-N 1 2 323.437 0.568 10 0 DCAELO C[C@H](C(=O)NC1CCCC1)N1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000116277388 158163992 /nfs/dbraw/zinc/16/39/92/158163992.db2.gz XDWBBYBVXMCOJG-HIFRSBDPSA-N 1 2 322.453 0.282 10 0 DCAELO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2ccc(=O)n(C)n2)C1 ZINC000119345459 158185224 /nfs/dbraw/zinc/18/52/24/158185224.db2.gz AVNWJTFROWTZMV-GFCCVEGCSA-N 1 2 315.377 0.609 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)CCCc2nc(C3CC3)no2)C1 ZINC000120220482 158195453 /nfs/dbraw/zinc/19/54/53/158195453.db2.gz YPCCODPFJFXQQF-LBPRGKRZSA-N 1 2 308.382 0.717 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)CCCc2nc(C3CC3)no2)C1 ZINC000120220482 158195458 /nfs/dbraw/zinc/19/54/58/158195458.db2.gz YPCCODPFJFXQQF-LBPRGKRZSA-N 1 2 308.382 0.717 10 0 DCAELO CC(C)(CO)CCCNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000122561885 158221873 /nfs/dbraw/zinc/22/18/73/158221873.db2.gz ZSPWHRMRHFJQGP-AWEZNQCLSA-N 1 2 313.442 0.901 10 0 DCAELO C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000122886517 158225137 /nfs/dbraw/zinc/22/51/37/158225137.db2.gz IOHXFZHMJAFHJN-ISDWTXNASA-N 1 2 311.426 0.644 10 0 DCAELO C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000122886517 158225139 /nfs/dbraw/zinc/22/51/39/158225139.db2.gz IOHXFZHMJAFHJN-ISDWTXNASA-N 1 2 311.426 0.644 10 0 DCAELO CN1CC[C@@H](NC(=O)N2CCCN(c3cccc[nH+]3)CC2)C1=O ZINC000129236208 158286213 /nfs/dbraw/zinc/28/62/13/158286213.db2.gz GGLDWFPSUGDUGD-CYBMUJFWSA-N 1 2 317.393 0.534 10 0 DCAELO C[C@H](CNC(=O)N1CC[C@H]2OCCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000133170752 158317103 /nfs/dbraw/zinc/31/71/03/158317103.db2.gz KMBBRZKCBBOBTH-RBSFLKMASA-N 1 2 311.426 0.918 10 0 DCAELO NC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CCc3ccc(F)cc3C2)C1 ZINC000133903537 158323670 /nfs/dbraw/zinc/32/36/70/158323670.db2.gz IAZNVHDQDQDUCX-CYBMUJFWSA-N 1 2 319.380 0.908 10 0 DCAELO NC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CCc3ccc(F)cc3C2)C1 ZINC000133903537 158323672 /nfs/dbraw/zinc/32/36/72/158323672.db2.gz IAZNVHDQDQDUCX-CYBMUJFWSA-N 1 2 319.380 0.908 10 0 DCAELO C[C@H](NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)C1CCOCC1 ZINC000134933221 158331995 /nfs/dbraw/zinc/33/19/95/158331995.db2.gz FFBGQCMDTSTJSB-ZFWWWQNUSA-N 1 2 311.426 0.918 10 0 DCAELO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)[C@H]1CCCc2n[nH]cc21 ZINC000135574117 158338530 /nfs/dbraw/zinc/33/85/30/158338530.db2.gz MMKXEVFBASNJKK-STQMWFEESA-N 1 2 304.394 0.809 10 0 DCAELO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)[C@H]1CCCc2n[nH]cc21 ZINC000135574117 158338532 /nfs/dbraw/zinc/33/85/32/158338532.db2.gz MMKXEVFBASNJKK-STQMWFEESA-N 1 2 304.394 0.809 10 0 DCAELO CC(C)CNC(=O)NC(=O)C[NH+]1CCN(c2cccnn2)CC1 ZINC000170650399 158374501 /nfs/dbraw/zinc/37/45/01/158374501.db2.gz ANCBRDUQEAPYNL-UHFFFAOYSA-N 1 2 320.397 0.080 10 0 DCAELO CNC(=O)c1cccc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000172742461 158398182 /nfs/dbraw/zinc/39/81/82/158398182.db2.gz DPJLIYMMRCVIDU-HNNXBMFYSA-N 1 2 317.389 0.593 10 0 DCAELO C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172747979 158398936 /nfs/dbraw/zinc/39/89/36/158398936.db2.gz RFCWLIOWFSXODT-STQMWFEESA-N 1 2 311.426 0.470 10 0 DCAELO O=C(/C=C/c1ccc2c(c1)CCO2)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178618262 158460357 /nfs/dbraw/zinc/46/03/57/158460357.db2.gz ZSPFCIVYNGKCJK-WPTTZPOMSA-N 1 2 313.401 0.751 10 0 DCAELO CCS(=O)(=O)CC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186397088 158530882 /nfs/dbraw/zinc/53/08/82/158530882.db2.gz OWRNKZRAOXORSY-UHFFFAOYSA-N 1 2 311.407 0.555 10 0 DCAELO CC(C)(C)C(=O)N1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000262691661 158833943 /nfs/dbraw/zinc/83/39/43/158833943.db2.gz AMLCRWZFTIHWIU-JTQLQIEISA-N 1 2 303.353 0.701 10 0 DCAELO CN1C[C@H](C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)CC1=O ZINC000328653734 159018049 /nfs/dbraw/zinc/01/80/49/159018049.db2.gz LHRSKVAWWAYAPH-OCCSQVGLSA-N 1 2 305.353 0.777 10 0 DCAELO Cc1cnn(C[C@H]2C[N@@H+]([C@H]3CCN(C4CC4)C3=O)CCO2)c1 ZINC000328672394 159019357 /nfs/dbraw/zinc/01/93/57/159019357.db2.gz OGPBFLYMHCSIDI-CABCVRRESA-N 1 2 304.394 0.656 10 0 DCAELO Cc1cnn(C[C@H]2C[N@H+]([C@H]3CCN(C4CC4)C3=O)CCO2)c1 ZINC000328672394 159019358 /nfs/dbraw/zinc/01/93/58/159019358.db2.gz OGPBFLYMHCSIDI-CABCVRRESA-N 1 2 304.394 0.656 10 0 DCAELO CCC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000328845951 159034288 /nfs/dbraw/zinc/03/42/88/159034288.db2.gz AJRGZZYBMKODJU-KFWWJZLASA-N 1 2 323.437 0.709 10 0 DCAELO CCC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000328845951 159034289 /nfs/dbraw/zinc/03/42/89/159034289.db2.gz AJRGZZYBMKODJU-KFWWJZLASA-N 1 2 323.437 0.709 10 0 DCAELO NC(=O)c1cnn2c1nccc2C(=O)N1CC[NH+](C2CC2)CC1 ZINC000328852030 159035426 /nfs/dbraw/zinc/03/54/26/159035426.db2.gz ZXOPQGPYXJEINW-UHFFFAOYSA-N 1 2 314.349 0.533 10 0 DCAELO Cn1nc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)cc1C1CC1 ZINC000328903268 159038735 /nfs/dbraw/zinc/03/87/35/159038735.db2.gz HQYDKMZWIQTVEZ-GJZGRUSLSA-N 1 2 304.394 0.843 10 0 DCAELO Cn1nc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)cc1C1CC1 ZINC000328903268 159038736 /nfs/dbraw/zinc/03/87/36/159038736.db2.gz HQYDKMZWIQTVEZ-GJZGRUSLSA-N 1 2 304.394 0.843 10 0 DCAELO C[C@H](Sc1nnnn1C1CC1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000329058332 159056580 /nfs/dbraw/zinc/05/65/80/159056580.db2.gz UAVVDAVQNHDCHU-JTQLQIEISA-N 1 2 322.438 0.795 10 0 DCAELO Cc1cnc(COCC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)o1 ZINC000329117065 159064370 /nfs/dbraw/zinc/06/43/70/159064370.db2.gz UHQDVYADXLAYBI-CHWSQXEVSA-N 1 2 309.366 0.431 10 0 DCAELO Cc1cnc(COCC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)o1 ZINC000329117065 159064372 /nfs/dbraw/zinc/06/43/72/159064372.db2.gz UHQDVYADXLAYBI-CHWSQXEVSA-N 1 2 309.366 0.431 10 0 DCAELO C[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CCS1(=O)=O ZINC000329408443 159089627 /nfs/dbraw/zinc/08/96/27/159089627.db2.gz CLKKEWRIBVMQAJ-LLVKDONJSA-N 1 2 320.374 0.526 10 0 DCAELO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000332964338 159218598 /nfs/dbraw/zinc/21/85/98/159218598.db2.gz KDQBBXGPAPXHBQ-SMDDNHRTSA-N 1 2 309.410 0.223 10 0 DCAELO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000332964338 159218600 /nfs/dbraw/zinc/21/86/00/159218600.db2.gz KDQBBXGPAPXHBQ-SMDDNHRTSA-N 1 2 309.410 0.223 10 0 DCAELO C[C@H]1CCCN(C(=O)C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)C1 ZINC000367083967 159311890 /nfs/dbraw/zinc/31/18/90/159311890.db2.gz KCMUQPZIXIHBOV-DZGCQCFKSA-N 1 2 316.405 0.813 10 0 DCAELO CN(C)S(=O)(=O)CC[N@@H+]1CCCC[C@H]1c1ccnn1C ZINC000367151344 159317088 /nfs/dbraw/zinc/31/70/88/159317088.db2.gz OQEKIBGCXFYUGS-ZDUSSCGKSA-N 1 2 300.428 0.839 10 0 DCAELO CN(C)S(=O)(=O)CC[N@H+]1CCCC[C@H]1c1ccnn1C ZINC000367151344 159317090 /nfs/dbraw/zinc/31/70/90/159317090.db2.gz OQEKIBGCXFYUGS-ZDUSSCGKSA-N 1 2 300.428 0.839 10 0 DCAELO COCC[C@H](C)S(=O)(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000408018269 160012995 /nfs/dbraw/zinc/01/29/95/160012995.db2.gz ZPHMFMYAFMVJJR-RWMBFGLXSA-N 1 2 306.428 0.146 10 0 DCAELO COCC[C@H](C)S(=O)(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000408018269 160012998 /nfs/dbraw/zinc/01/29/98/160012998.db2.gz ZPHMFMYAFMVJJR-RWMBFGLXSA-N 1 2 306.428 0.146 10 0 DCAELO CC(=O)N1CCC[C@@](O)(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000408052335 160023523 /nfs/dbraw/zinc/02/35/23/160023523.db2.gz UEFXDRKQNZPHSD-BBRMVZONSA-N 1 2 320.393 0.489 10 0 DCAELO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1C[C@H](O)C[C@H]1CO ZINC000408052741 160024371 /nfs/dbraw/zinc/02/43/71/160024371.db2.gz CZSKZTBPWCGKKN-XJFOESAGSA-N 1 2 305.378 0.108 10 0 DCAELO C[C@H](Sc1nnnn1C1CC1)C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000408113708 160039176 /nfs/dbraw/zinc/03/91/76/160039176.db2.gz UOCYIOMXLNKVSE-UWVGGRQHSA-N 1 2 310.427 0.651 10 0 DCAELO C[C@H](Sc1nnnn1C1CC1)C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000408113708 160039177 /nfs/dbraw/zinc/03/91/77/160039177.db2.gz UOCYIOMXLNKVSE-UWVGGRQHSA-N 1 2 310.427 0.651 10 0 DCAELO CC[C@@H]1CN(S(=O)(=O)N2CC[C@H](C)C2)CC[N@@H+]1CCOC ZINC000408132786 160044375 /nfs/dbraw/zinc/04/43/75/160044375.db2.gz LNFLFGNGBBUSNX-UONOGXRCSA-N 1 2 319.471 0.616 10 0 DCAELO CC[C@@H]1CN(S(=O)(=O)N2CC[C@H](C)C2)CC[N@H+]1CCOC ZINC000408132786 160044377 /nfs/dbraw/zinc/04/43/77/160044377.db2.gz LNFLFGNGBBUSNX-UONOGXRCSA-N 1 2 319.471 0.616 10 0 DCAELO CN(C)S(=O)(=O)CC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000408185949 160055192 /nfs/dbraw/zinc/05/51/92/160055192.db2.gz OEZDRQQTZSCLEI-JTQLQIEISA-N 1 2 300.384 0.007 10 0 DCAELO CC1CC[NH+](CC(=O)N(C)C[C@H]2CCS(=O)(=O)C2)CC1 ZINC000408306720 160081286 /nfs/dbraw/zinc/08/12/86/160081286.db2.gz BDUIYNYSECEKOV-CYBMUJFWSA-N 1 2 302.440 0.611 10 0 DCAELO C[C@@H](C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1)C1CC1 ZINC000408319471 160084192 /nfs/dbraw/zinc/08/41/92/160084192.db2.gz JBHVOMZLWBIWLY-KGLIPLIRSA-N 1 2 323.437 0.424 10 0 DCAELO CNC(=O)[C@@H]1CCC[N@@H+]1[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000408449798 160111122 /nfs/dbraw/zinc/11/11/22/160111122.db2.gz DRLMVUOBTJJHOT-VHSXEESVSA-N 1 2 307.316 0.750 10 0 DCAELO CNC(=O)[C@@H]1CCC[N@H+]1[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000408449798 160111124 /nfs/dbraw/zinc/11/11/24/160111124.db2.gz DRLMVUOBTJJHOT-VHSXEESVSA-N 1 2 307.316 0.750 10 0 DCAELO C[C@@H](CNC(=O)Nc1cc(C(N)=O)ccc1F)[NH+]1CCOCC1 ZINC000047875163 286888661 /nfs/dbraw/zinc/88/86/61/286888661.db2.gz KEUMOCOPHHKPTM-JTQLQIEISA-N 1 2 324.356 0.767 10 0 DCAELO CCOCC[NH+]1CCN(S(=O)(=O)[C@H]2CCO[C@@H]2C)CC1 ZINC000135609989 287023595 /nfs/dbraw/zinc/02/35/95/287023595.db2.gz OPZVHAQEALSGPB-OLZOCXBDSA-N 1 2 306.428 0.148 10 0 DCAELO CCC[C@@H]1C(=O)NCC[N@H+]1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000245761165 287072974 /nfs/dbraw/zinc/07/29/74/287072974.db2.gz QBWDNAIJDIDTLQ-CHWSQXEVSA-N 1 2 317.455 0.259 10 0 DCAELO CCC[C@@H]1C(=O)NCC[N@@H+]1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000245761165 287072976 /nfs/dbraw/zinc/07/29/76/287072976.db2.gz QBWDNAIJDIDTLQ-CHWSQXEVSA-N 1 2 317.455 0.259 10 0 DCAELO Cn1cc(N2CC[C@@H]([N@@H+]3CC[C@@](O)(C(F)(F)F)C3)C2=O)cn1 ZINC000246456337 287083663 /nfs/dbraw/zinc/08/36/63/287083663.db2.gz VPVUCEXULXFXRM-PWSUYJOCSA-N 1 2 318.299 0.525 10 0 DCAELO Cn1cc(N2CC[C@@H]([N@H+]3CC[C@@](O)(C(F)(F)F)C3)C2=O)cn1 ZINC000246456337 287083667 /nfs/dbraw/zinc/08/36/67/287083667.db2.gz VPVUCEXULXFXRM-PWSUYJOCSA-N 1 2 318.299 0.525 10 0 DCAELO CCC[N@H+](C[C@H](C)CS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 ZINC000246615209 287085983 /nfs/dbraw/zinc/08/59/83/287085983.db2.gz RPMSQRSZBBGABL-RYUDHWBXSA-N 1 2 311.469 0.566 10 0 DCAELO CCC[N@@H+](C[C@H](C)CS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 ZINC000246615209 287085985 /nfs/dbraw/zinc/08/59/85/287085985.db2.gz RPMSQRSZBBGABL-RYUDHWBXSA-N 1 2 311.469 0.566 10 0 DCAELO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)N2CCC[C@H]2C)CC1 ZINC000248680815 287099922 /nfs/dbraw/zinc/09/99/22/287099922.db2.gz FJXORPOTQICSDO-OLZOCXBDSA-N 1 2 305.444 0.104 10 0 DCAELO NC(=O)c1cccc(S(=O)(=O)N2CCc3c[nH+]ccc32)c1 ZINC000084015680 415493266 /nfs/dbraw/zinc/49/32/66/415493266.db2.gz GORKYIZDRANYGE-UHFFFAOYSA-N 1 2 303.343 0.932 10 0 DCAELO O=C(NC[C@H]1CCCn2cc[nH+]c21)N[C@H]1CCc2ncnn2C1 ZINC000332693978 415440097 /nfs/dbraw/zinc/44/00/97/415440097.db2.gz VNGNCYNGTKWURP-NEPJUHHUSA-N 1 2 315.381 0.666 10 0 DCAELO CN(C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)[C@H]1CCNC1=O ZINC000332753013 415461871 /nfs/dbraw/zinc/46/18/71/415461871.db2.gz GHHJMRPYEYZEDU-RYUDHWBXSA-N 1 2 303.366 0.190 10 0 DCAELO CCc1nc(CCNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)no1 ZINC000332750970 415462732 /nfs/dbraw/zinc/46/27/32/415462732.db2.gz AFVAGKJRDKGIBC-NWDGAFQWSA-N 1 2 323.397 0.289 10 0 DCAELO CCc1nc(CCNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)no1 ZINC000332750970 415462735 /nfs/dbraw/zinc/46/27/35/415462735.db2.gz AFVAGKJRDKGIBC-NWDGAFQWSA-N 1 2 323.397 0.289 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)CNC(=O)CC3CCCC3)C[C@H]21 ZINC000332759568 415465698 /nfs/dbraw/zinc/46/56/98/415465698.db2.gz PJBPSLOGQNMVSI-CABCVRRESA-N 1 2 323.437 0.614 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)CNC(=O)CC3CCCC3)C[C@H]21 ZINC000332759568 415465703 /nfs/dbraw/zinc/46/57/03/415465703.db2.gz PJBPSLOGQNMVSI-CABCVRRESA-N 1 2 323.437 0.614 10 0 DCAELO C[C@H](CNC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1)Cn1cccn1 ZINC000332761969 415467350 /nfs/dbraw/zinc/46/73/50/415467350.db2.gz UWWZUEQLNGORBK-QLFBSQMISA-N 1 2 321.425 0.634 10 0 DCAELO C[C@H](CNC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1)Cn1cccn1 ZINC000332761969 415467354 /nfs/dbraw/zinc/46/73/54/415467354.db2.gz UWWZUEQLNGORBK-QLFBSQMISA-N 1 2 321.425 0.634 10 0 DCAELO COC[C@@H]1C[N@H+](Cc2cc(=O)n3[nH]ccc3n2)CC(C)(C)O1 ZINC000343343322 415568210 /nfs/dbraw/zinc/56/82/10/415568210.db2.gz XUFOARPLYQYACO-LBPRGKRZSA-N 1 2 306.366 0.648 10 0 DCAELO COC[C@@H]1C[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)CC(C)(C)O1 ZINC000343343322 415568214 /nfs/dbraw/zinc/56/82/14/415568214.db2.gz XUFOARPLYQYACO-LBPRGKRZSA-N 1 2 306.366 0.648 10 0 DCAELO CN1C(=O)CC[C@H](Nc2cc(N3CCSCC3)nc[nH+]2)C1=O ZINC000333423695 415646141 /nfs/dbraw/zinc/64/61/41/415646141.db2.gz JQMIUNUHEJTGKR-JTQLQIEISA-N 1 2 321.406 0.589 10 0 DCAELO CN1C(=O)CC[C@H](Nc2cc(N3CCSCC3)[nH+]cn2)C1=O ZINC000333423695 415646146 /nfs/dbraw/zinc/64/61/46/415646146.db2.gz JQMIUNUHEJTGKR-JTQLQIEISA-N 1 2 321.406 0.589 10 0 DCAELO CO[C@@H](C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1cnn(C)c1 ZINC000282868309 415581879 /nfs/dbraw/zinc/58/18/79/415581879.db2.gz UVIBYUIXCRQFQR-ZIAGYGMSSA-N 1 2 303.366 0.995 10 0 DCAELO CO[C@@H]([C@H](C)NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1)C1CC1 ZINC000333650907 415703977 /nfs/dbraw/zinc/70/39/77/415703977.db2.gz KIOQLQVOFYZBOO-MXAVVETBSA-N 1 2 311.426 0.914 10 0 DCAELO CO[C@@H]([C@H](C)NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1)C1CC1 ZINC000333650907 415703983 /nfs/dbraw/zinc/70/39/83/415703983.db2.gz KIOQLQVOFYZBOO-MXAVVETBSA-N 1 2 311.426 0.914 10 0 DCAELO C[C@@H](NC(=O)NC[C@H]1C[N@H+](C)CCO1)C(=O)Nc1ccccc1 ZINC000112111347 415706159 /nfs/dbraw/zinc/70/61/59/415706159.db2.gz SSIBGHQTXDIZQM-OCCSQVGLSA-N 1 2 320.393 0.643 10 0 DCAELO C[C@@H](NC(=O)NC[C@H]1C[N@@H+](C)CCO1)C(=O)Nc1ccccc1 ZINC000112111347 415706165 /nfs/dbraw/zinc/70/61/65/415706165.db2.gz SSIBGHQTXDIZQM-OCCSQVGLSA-N 1 2 320.393 0.643 10 0 DCAELO O=C(Cc1cccc(F)c1F)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000133111605 415942099 /nfs/dbraw/zinc/94/20/99/415942099.db2.gz OXOJUCVJYMTYLV-GFCCVEGCSA-N 1 2 314.332 0.317 10 0 DCAELO Cc1nn(C)c(C)c1CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173485216 416059087 /nfs/dbraw/zinc/05/90/87/416059087.db2.gz ZMCSLDRPWHHRSI-AWEZNQCLSA-N 1 2 321.425 0.653 10 0 DCAELO CCc1nc(C2([NH2+]CCCS(N)(=O)=O)CCCC2)no1 ZINC000173695853 416063984 /nfs/dbraw/zinc/06/39/84/416063984.db2.gz IWZJZUWUDWTWRK-UHFFFAOYSA-N 1 2 302.400 0.670 10 0 DCAELO C[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)Cn1cccn1 ZINC000173788210 416065925 /nfs/dbraw/zinc/06/59/25/416065925.db2.gz DFGWBUUHHKIUCI-LSDHHAIUSA-N 1 2 321.425 0.635 10 0 DCAELO C[C@@H](CN1CCCC1=O)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173892173 416068058 /nfs/dbraw/zinc/06/80/58/416068058.db2.gz WRXYQZHKGWBWNR-UONOGXRCSA-N 1 2 324.425 0.113 10 0 DCAELO CCCS(=O)(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000173901409 416068402 /nfs/dbraw/zinc/06/84/02/416068402.db2.gz GULGMUXFUHGRFH-LLVKDONJSA-N 1 2 313.427 0.817 10 0 DCAELO CCCS(=O)(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000173901409 416068406 /nfs/dbraw/zinc/06/84/06/416068406.db2.gz GULGMUXFUHGRFH-LLVKDONJSA-N 1 2 313.427 0.817 10 0 DCAELO CN(CCN1CCCC1=O)c1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000301224845 416077823 /nfs/dbraw/zinc/07/78/23/416077823.db2.gz FEESTBMNKHGHOC-CYBMUJFWSA-N 1 2 319.409 0.496 10 0 DCAELO CN(CCN1CCCC1=O)c1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000301224845 416077826 /nfs/dbraw/zinc/07/78/26/416077826.db2.gz FEESTBMNKHGHOC-CYBMUJFWSA-N 1 2 319.409 0.496 10 0 DCAELO CNC(=O)[C@@H]1CCCN1C(=O)NCc1[nH+]ccn1CC(C)C ZINC000159017014 416006031 /nfs/dbraw/zinc/00/60/31/416006031.db2.gz MIOJCSPIDNGTCQ-LBPRGKRZSA-N 1 2 307.398 0.959 10 0 DCAELO NC(=O)c1cc(Cl)nnc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000301464817 416083535 /nfs/dbraw/zinc/08/35/35/416083535.db2.gz GVYLCVKRHMICPW-SECBINFHSA-N 1 2 311.773 0.140 10 0 DCAELO CC(C)C[C@@H](CCO)CNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000174750832 416086557 /nfs/dbraw/zinc/08/65/57/416086557.db2.gz VITCLXBEPBEINZ-KGLIPLIRSA-N 1 2 301.431 0.661 10 0 DCAELO CC(C)C[C@@H](CCO)CNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000174750832 416086562 /nfs/dbraw/zinc/08/65/62/416086562.db2.gz VITCLXBEPBEINZ-KGLIPLIRSA-N 1 2 301.431 0.661 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)Nc2cnn(-c3ncccn3)c2)C1 ZINC000174872013 416087819 /nfs/dbraw/zinc/08/78/19/416087819.db2.gz YIZZSOCLCAIRKK-LBPRGKRZSA-N 1 2 317.353 0.114 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)Nc2cnn(-c3ncccn3)c2)C1 ZINC000174872013 416087825 /nfs/dbraw/zinc/08/78/25/416087825.db2.gz YIZZSOCLCAIRKK-LBPRGKRZSA-N 1 2 317.353 0.114 10 0 DCAELO Cc1ccc([C@H](CNC(=O)NCCO)[NH+]2CCOCC2)s1 ZINC000175008237 416094535 /nfs/dbraw/zinc/09/45/35/416094535.db2.gz AVKWYVRVGNTDHI-LBPRGKRZSA-N 1 2 313.423 0.721 10 0 DCAELO Cc1cc(C(=O)NC[C@@H](C)[NH+]2CCOCC2)c2cnn(C)c2n1 ZINC000175261080 416101423 /nfs/dbraw/zinc/10/14/23/416101423.db2.gz QXHJJPHSHKCGTE-GFCCVEGCSA-N 1 2 317.393 0.727 10 0 DCAELO O=C(CCc1nc[nH]n1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000175878695 416116527 /nfs/dbraw/zinc/11/65/27/416116527.db2.gz LKCWPJZTAARKNX-ZDUSSCGKSA-N 1 2 307.398 0.308 10 0 DCAELO CN(C)c1[nH+]cccc1CNC(=O)NC[C@]1(O)CCSC1 ZINC000176208660 416120802 /nfs/dbraw/zinc/12/08/02/416120802.db2.gz JDDGEFQCYYPCAD-CQSZACIVSA-N 1 2 310.423 0.815 10 0 DCAELO C[C@@H]1CN(C(=O)[C@@H]2CCCn3ccnc32)C[C@H]1[NH+]1CCOCC1 ZINC000176475834 416127502 /nfs/dbraw/zinc/12/75/02/416127502.db2.gz GBANHJNCHBZVNP-RBSFLKMASA-N 1 2 318.421 0.940 10 0 DCAELO CC(C)c1nnnn1CC(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000177764399 416151455 /nfs/dbraw/zinc/15/14/55/416151455.db2.gz ZAPJRXGHDWRIPR-LBPRGKRZSA-N 1 2 303.370 0.684 10 0 DCAELO CC1(C)C[N@H+](CCNC(=O)CNC(=O)c2cccnc2)CCO1 ZINC000177862016 416153273 /nfs/dbraw/zinc/15/32/73/416153273.db2.gz SGFWHEASIDJLJB-UHFFFAOYSA-N 1 2 320.393 0.038 10 0 DCAELO CC1(C)C[N@@H+](CCNC(=O)CNC(=O)c2cccnc2)CCO1 ZINC000177862016 416153277 /nfs/dbraw/zinc/15/32/77/416153277.db2.gz SGFWHEASIDJLJB-UHFFFAOYSA-N 1 2 320.393 0.038 10 0 DCAELO O=C(NC[C@@H]1C[NH+]2CCN1CC2)C(=O)Nc1cccc(Cl)c1 ZINC000178963682 416178870 /nfs/dbraw/zinc/17/88/70/416178870.db2.gz BXAWPURDZBAZGJ-CYBMUJFWSA-N 1 2 322.796 0.395 10 0 DCAELO CCc1cc(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCO2)ccc1C ZINC000180598693 416199589 /nfs/dbraw/zinc/19/95/89/416199589.db2.gz OAUCSJMQIPKNCM-HNNXBMFYSA-N 1 2 319.405 0.943 10 0 DCAELO CCc1cc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCO2)ccc1C ZINC000180598693 416199591 /nfs/dbraw/zinc/19/95/91/416199591.db2.gz OAUCSJMQIPKNCM-HNNXBMFYSA-N 1 2 319.405 0.943 10 0 DCAELO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2c(C)nn(C)c2OC)C1 ZINC000181555293 416209260 /nfs/dbraw/zinc/20/92/60/416209260.db2.gz UXKPISOLECHSKW-NSHDSACASA-N 1 2 316.427 0.251 10 0 DCAELO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2c(C)nn(C)c2OC)C1 ZINC000181555293 416209262 /nfs/dbraw/zinc/20/92/62/416209262.db2.gz UXKPISOLECHSKW-NSHDSACASA-N 1 2 316.427 0.251 10 0 DCAELO O=C(NCCCn1ccnn1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000182464371 416222205 /nfs/dbraw/zinc/22/22/05/416222205.db2.gz YWDXARSRLRCVAS-AWEZNQCLSA-N 1 2 322.413 0.174 10 0 DCAELO Cc1cc(N2CC[NH+](CCN3C(=O)NC(C)(C)C3=O)CC2)n[nH]1 ZINC000187185890 416260799 /nfs/dbraw/zinc/26/07/99/416260799.db2.gz KYFDTNNAIALISH-UHFFFAOYSA-N 1 2 320.397 0.171 10 0 DCAELO CCc1cccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1 ZINC000190051391 416273042 /nfs/dbraw/zinc/27/30/42/416273042.db2.gz IQQLREBYQUOBOL-CYBMUJFWSA-N 1 2 319.405 0.713 10 0 DCAELO CCc1cccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1 ZINC000190051391 416273047 /nfs/dbraw/zinc/27/30/47/416273047.db2.gz IQQLREBYQUOBOL-CYBMUJFWSA-N 1 2 319.405 0.713 10 0 DCAELO Cc1cc(F)ccc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000190048033 416273830 /nfs/dbraw/zinc/27/38/30/416273830.db2.gz KUSPLMIOIHOGSS-GFCCVEGCSA-N 1 2 323.368 0.598 10 0 DCAELO Cc1cc(F)ccc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000190048033 416273833 /nfs/dbraw/zinc/27/38/33/416273833.db2.gz KUSPLMIOIHOGSS-GFCCVEGCSA-N 1 2 323.368 0.598 10 0 DCAELO CCc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1 ZINC000190027971 416274778 /nfs/dbraw/zinc/27/47/78/416274778.db2.gz MJAIGRXEFBDOID-ZDUSSCGKSA-N 1 2 319.405 0.713 10 0 DCAELO CCc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1 ZINC000190027971 416274781 /nfs/dbraw/zinc/27/47/81/416274781.db2.gz MJAIGRXEFBDOID-ZDUSSCGKSA-N 1 2 319.405 0.713 10 0 DCAELO CN(C)c1[nH+]cccc1CNC(=O)N[C@@H](C(N)=O)C(C)(C)C ZINC000183365920 416239653 /nfs/dbraw/zinc/23/96/53/416239653.db2.gz LVEPWOQRTGKWOI-NSHDSACASA-N 1 2 307.398 0.847 10 0 DCAELO C[C@@H](CNC(=O)CCC(=O)OC(C)(C)C)[NH+]1CCOCC1 ZINC000192365928 416306150 /nfs/dbraw/zinc/30/61/50/416306150.db2.gz RCRRHACIXQHMOF-LBPRGKRZSA-N 1 2 300.399 0.945 10 0 DCAELO C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000253354599 416334563 /nfs/dbraw/zinc/33/45/63/416334563.db2.gz FADVGNKZMNCUOG-MNOVXSKESA-N 1 2 314.411 0.743 10 0 DCAELO CN(C[C@@H]1CCn2cc[nH+]c2C1)C(=O)N[C@@H]1CCN(C)C1=O ZINC000583623949 416480723 /nfs/dbraw/zinc/48/07/23/416480723.db2.gz PIAVZDPXUJEGBM-VXGBXAGGSA-N 1 2 305.382 0.318 10 0 DCAELO CCn1c2nnc(C[N@H+](C)CCCO)n2c2ccccc2c1=O ZINC000440964462 416654799 /nfs/dbraw/zinc/65/47/99/416654799.db2.gz PPLWWWDXAYFYDR-UHFFFAOYSA-N 1 2 315.377 0.878 10 0 DCAELO CCn1c2nnc(C[N@@H+](C)CCCO)n2c2ccccc2c1=O ZINC000440964462 416654802 /nfs/dbraw/zinc/65/48/02/416654802.db2.gz PPLWWWDXAYFYDR-UHFFFAOYSA-N 1 2 315.377 0.878 10 0 DCAELO C[C@H](NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)[C@H]1CCOC1 ZINC000557379270 416733335 /nfs/dbraw/zinc/73/33/35/416733335.db2.gz ZVBOWTRYRJOXTO-QWRGUYRKSA-N 1 2 302.334 0.814 10 0 DCAELO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC(=O)NC(=O)NC1CC1 ZINC000615632674 416874300 /nfs/dbraw/zinc/87/43/00/416874300.db2.gz VKPFOZYPGHNGJJ-GAFUQQFSSA-N 1 2 309.366 0.248 10 0 DCAELO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CC(=O)NC(=O)NC1CC1 ZINC000615632674 416874306 /nfs/dbraw/zinc/87/43/06/416874306.db2.gz VKPFOZYPGHNGJJ-GAFUQQFSSA-N 1 2 309.366 0.248 10 0 DCAELO CCCn1cc(C[N@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)cn1 ZINC000430095306 287343418 /nfs/dbraw/zinc/34/34/18/287343418.db2.gz CKRKEGMBRDFIRU-CYBMUJFWSA-N 1 2 300.428 0.759 10 0 DCAELO CCCn1cc(C[N@@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)cn1 ZINC000430095306 287343419 /nfs/dbraw/zinc/34/34/19/287343419.db2.gz CKRKEGMBRDFIRU-CYBMUJFWSA-N 1 2 300.428 0.759 10 0 DCAELO Cn1cc[nH+]c1[C@H](NC(=O)CN1CCCNC1=O)C(C)(C)CO ZINC000616870221 417123782 /nfs/dbraw/zinc/12/37/82/417123782.db2.gz OUAZHRDMFGYUDS-LBPRGKRZSA-N 1 2 323.397 0.011 10 0 DCAELO CN(C)c1nc(N2CC[C@H](NC(N)=O)C2)[nH+]c2ccccc21 ZINC000450414030 417224880 /nfs/dbraw/zinc/22/48/80/417224880.db2.gz WEMQBKUANQMDTP-JTQLQIEISA-N 1 2 300.366 0.943 10 0 DCAELO C[C@@H](O)CC[NH+]1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000439006242 287380424 /nfs/dbraw/zinc/38/04/24/287380424.db2.gz LMKKZNCFCWCHPO-CQSZACIVSA-N 1 2 312.435 0.905 10 0 DCAELO CCOc1cc(N[C@@H]2CS(=O)(=O)C[C@H]2OC)nc(C)[nH+]1 ZINC000664273025 418109311 /nfs/dbraw/zinc/10/93/11/418109311.db2.gz PRTQEXSZMFQDIU-NXEZZACHSA-N 1 2 301.368 0.408 10 0 DCAELO CS(=O)(=O)c1csc(C(=O)NCC[NH+]2CCCC2)c1 ZINC000179995913 261114181 /nfs/dbraw/zinc/11/41/81/261114181.db2.gz WZOORLVMPUZESL-UHFFFAOYSA-N 1 2 302.421 0.977 10 0 DCAELO COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)N1CC[NH+](C(C)C)CC1 ZINC000234607220 261154664 /nfs/dbraw/zinc/15/46/64/261154664.db2.gz IIHFENALDYENLC-QWHCGFSZSA-N 1 2 318.439 0.684 10 0 DCAELO Cc1cc(C[C@@H](C)NC(=O)NCC[N@@H+]2CCOC[C@H]2C)[nH]n1 ZINC000487548337 272041630 /nfs/dbraw/zinc/04/16/30/272041630.db2.gz KFLPWGKKRPHSOO-DGCLKSJQSA-N 1 2 309.414 0.669 10 0 DCAELO Cc1cc(C[C@@H](C)NC(=O)NCC[N@H+]2CCOC[C@H]2C)[nH]n1 ZINC000487548337 272041633 /nfs/dbraw/zinc/04/16/33/272041633.db2.gz KFLPWGKKRPHSOO-DGCLKSJQSA-N 1 2 309.414 0.669 10 0 DCAELO COC(=O)C(C)(C)N1CC[NH+](CC(=O)N[C@H](C)C(C)C)CC1 ZINC000494418297 272221345 /nfs/dbraw/zinc/22/13/45/272221345.db2.gz ZDIMDGBUVALOCQ-CYBMUJFWSA-N 1 2 313.442 0.716 10 0 DCAELO CC(C)OC(=O)[C@H](C)[N@H+](C)C[C@H](O)COC[C@@H]1CCCO1 ZINC000531842648 272771397 /nfs/dbraw/zinc/77/13/97/272771397.db2.gz VVXSBBLZOOCJCJ-IHRRRGAJSA-N 1 2 303.399 0.815 10 0 DCAELO CC(C)OC(=O)[C@H](C)[N@@H+](C)C[C@H](O)COC[C@@H]1CCCO1 ZINC000531842648 272771400 /nfs/dbraw/zinc/77/14/00/272771400.db2.gz VVXSBBLZOOCJCJ-IHRRRGAJSA-N 1 2 303.399 0.815 10 0 DCAELO CC(=O)N1CCC[C@H](C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000247243893 276980601 /nfs/dbraw/zinc/98/06/01/276980601.db2.gz YFVCMFRXGYYCDH-KBMXLJTQSA-N 1 2 323.437 0.424 10 0 DCAELO C[C@@H](C(=O)N(C)C)[NH+]1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105911757 278183077 /nfs/dbraw/zinc/18/30/77/278183077.db2.gz KJSFVWFULJZJLF-HOCLYGCPSA-N 1 2 305.422 0.814 10 0 DCAELO CC1(C)C[S@](=O)CC[N@@H+]1C[C@H](O)COC[C@@H]1CCCO1 ZINC000551985874 288255104 /nfs/dbraw/zinc/25/51/04/288255104.db2.gz ORFHMHVGPFXSRR-KQHSUYLTSA-N 1 2 305.440 0.386 10 0 DCAELO CC1(C)C[S@](=O)CC[N@H+]1C[C@H](O)COC[C@@H]1CCCO1 ZINC000551985874 288255106 /nfs/dbraw/zinc/25/51/06/288255106.db2.gz ORFHMHVGPFXSRR-KQHSUYLTSA-N 1 2 305.440 0.386 10 0 DCAELO Cc1cc(CCNC(=O)NCC(C)(C)[NH+]2CCOCC2)on1 ZINC000553357886 288296361 /nfs/dbraw/zinc/29/63/61/288296361.db2.gz XQAIDSDOZCJZBZ-UHFFFAOYSA-N 1 2 310.398 0.936 10 0 DCAELO Cc1cc(CCNC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)on1 ZINC000553926423 288310696 /nfs/dbraw/zinc/31/06/96/288310696.db2.gz PXHWNWVZXPKZLI-QWHCGFSZSA-N 1 2 310.398 0.934 10 0 DCAELO C[C@H]1CCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)[C@@H]1CO ZINC000565401140 288849291 /nfs/dbraw/zinc/84/92/91/288849291.db2.gz JIFOZPIXBHUMDA-CMPLNLGQSA-N 1 2 302.334 0.502 10 0 DCAELO C[C@H]1C(=O)NCCC[N@H+]1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000248886645 290306416 /nfs/dbraw/zinc/30/64/16/290306416.db2.gz AEUHHKLLAQAXEW-WDEREUQCSA-N 1 2 321.343 0.998 10 0 DCAELO C[C@H]1C(=O)NCCC[N@@H+]1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000248886645 290306420 /nfs/dbraw/zinc/30/64/20/290306420.db2.gz AEUHHKLLAQAXEW-WDEREUQCSA-N 1 2 321.343 0.998 10 0 DCAELO COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000246428666 293025695 /nfs/dbraw/zinc/02/56/95/293025695.db2.gz UZYWYCMBGJCNKF-AAEUAGOBSA-N 1 2 323.397 0.797 10 0 DCAELO COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000246428666 293025701 /nfs/dbraw/zinc/02/57/01/293025701.db2.gz UZYWYCMBGJCNKF-AAEUAGOBSA-N 1 2 323.397 0.797 10 0 DCAELO Cc1nc(C)c(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)nc1C ZINC000185142292 293217309 /nfs/dbraw/zinc/21/73/09/293217309.db2.gz YFGUITCZIZKELT-AWEZNQCLSA-N 1 2 304.394 0.949 10 0 DCAELO C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CCC[C@H]2CS(N)(=O)=O)C1 ZINC000408167091 297353033 /nfs/dbraw/zinc/35/30/33/297353033.db2.gz BVXUAJNFAZJWST-XQQFMLRXSA-N 1 2 317.455 0.244 10 0 DCAELO C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2CCC[C@H]2CS(N)(=O)=O)C1 ZINC000408167091 297353035 /nfs/dbraw/zinc/35/30/35/297353035.db2.gz BVXUAJNFAZJWST-XQQFMLRXSA-N 1 2 317.455 0.244 10 0 DCAELO C[C@H]1CN(S(=O)(=O)N2CCCCCC2)CC[N@@H+]1CCO ZINC000188727748 300281352 /nfs/dbraw/zinc/28/13/52/300281352.db2.gz AZWSPHYSEHCTKC-ZDUSSCGKSA-N 1 2 305.444 0.106 10 0 DCAELO C[C@H]1CN(S(=O)(=O)N2CCCCCC2)CC[N@H+]1CCO ZINC000188727748 300281355 /nfs/dbraw/zinc/28/13/55/300281355.db2.gz AZWSPHYSEHCTKC-ZDUSSCGKSA-N 1 2 305.444 0.106 10 0 DCAELO Cc1n[nH]c(C)c1S(=O)(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261922296 302483647 /nfs/dbraw/zinc/48/36/47/302483647.db2.gz ZQXZEKSKYYVPLF-ZDUSSCGKSA-N 1 2 321.406 0.757 10 0 DCAELO O=C(NC1CCCCC1)N1CC[NH2+][C@H]2CS(=O)(=O)C[C@H]21 ZINC000261338444 303741615 /nfs/dbraw/zinc/74/16/15/303741615.db2.gz ARMAVMZGUZJQPS-NWDGAFQWSA-N 1 2 301.412 0.100 10 0 DCAELO CCc1ccccc1CC(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000188279972 521821084 /nfs/dbraw/zinc/82/10/84/521821084.db2.gz SQMWFXONQBNVKL-MRXNPFEDSA-N 1 2 306.406 0.601 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC(CO)C2)nc[nH+]1 ZINC000189360940 522567817 /nfs/dbraw/zinc/56/78/17/522567817.db2.gz IPUCOGGXRYMMAU-GFCCVEGCSA-N 1 2 320.397 0.121 10 0 DCAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC(CO)C2)[nH+]cn1 ZINC000189360940 522567827 /nfs/dbraw/zinc/56/78/27/522567827.db2.gz IPUCOGGXRYMMAU-GFCCVEGCSA-N 1 2 320.397 0.121 10 0 DCAELO COC(=O)[C@H](c1cccnc1)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000156652059 523940375 /nfs/dbraw/zinc/94/03/75/523940375.db2.gz 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O=C(NC1CC1)[C@H](c1ccc(F)cc1)[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000184718412 527492415 /nfs/dbraw/zinc/49/24/15/527492415.db2.gz KJDNYYCHLSQCRY-KFWWJZLASA-N 1 2 308.353 0.573 10 0 DCAELO CC(C)n1ccnc1C[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000170958726 528605633 /nfs/dbraw/zinc/60/56/33/528605633.db2.gz AHLBWGWWYWQFAO-GFCCVEGCSA-N 1 2 315.443 0.469 10 0 DCAELO CC(C)n1ccnc1C[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000170958726 528605636 /nfs/dbraw/zinc/60/56/36/528605636.db2.gz AHLBWGWWYWQFAO-GFCCVEGCSA-N 1 2 315.443 0.469 10 0 DCAELO C[NH2+][C@@](C)(Cn1cc(I)cn1)C(=O)OC ZINC000070678505 545660741 /nfs/dbraw/zinc/66/07/41/545660741.db2.gz DNKOPULYEVLSPW-VIFPVBQESA-N 1 2 323.134 0.639 10 0 DCAELO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2cncnc2)CC1 ZINC000180175888 545901273 /nfs/dbraw/zinc/90/12/73/545901273.db2.gz UQUBLVNNEWLLAV-CQSZACIVSA-N 1 2 303.410 0.605 10 0 DCAELO Cc1ccccc1[C@@H]1C[C@H]1C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000245705737 545962151 /nfs/dbraw/zinc/96/21/51/545962151.db2.gz XNNSIBXFGDRRRA-HYVNUMGLSA-N 1 2 318.417 0.908 10 0 DCAELO C[C@@H](CNC(=O)c1c[nH]nc1[C@H]1CCOC1)[NH+]1CCOCC1 ZINC000332987237 546068495 /nfs/dbraw/zinc/06/84/95/546068495.db2.gz BAWZBXLYLKTXCZ-RYUDHWBXSA-N 1 2 308.382 0.364 10 0 DCAELO CCCCN(C(=O)C[C@H]([NH3+])C(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000724722458 658930060 /nfs/dbraw/zinc/93/00/60/658930060.db2.gz VVJYUFNEVUEVSS-UWVGGRQHSA-N 1 2 312.382 0.785 10 0 DCAELO O=C1[C@@H]([N@@H+]2CCO[C@@]3(CCOC3)C2)CCN1C1CCOCC1 ZINC000329916567 659414592 /nfs/dbraw/zinc/41/45/92/659414592.db2.gz YXKTYQIRNRVQAD-HOCLYGCPSA-N 1 2 310.394 0.258 10 0 DCAELO O=C1[C@@H]([N@H+]2CCO[C@@]3(CCOC3)C2)CCN1C1CCOCC1 ZINC000329916567 659414594 /nfs/dbraw/zinc/41/45/94/659414594.db2.gz YXKTYQIRNRVQAD-HOCLYGCPSA-N 1 2 310.394 0.258 10 0 DCAELO CCCn1cc(NC(=O)NC[C@H](O)C[NH+]2CCOCC2)cn1 ZINC000092926872 659586751 /nfs/dbraw/zinc/58/67/51/659586751.db2.gz VUWUPLQZCBXYGA-ZDUSSCGKSA-N 1 2 311.386 0.108 10 0 DCAELO CO[C@@H](C(=O)N1CCC[C@H]1Cn1cc[nH+]c1)c1cnn(C)c1 ZINC000282868307 659660365 /nfs/dbraw/zinc/66/03/65/659660365.db2.gz UVIBYUIXCRQFQR-UONOGXRCSA-N 1 2 303.366 0.995 10 0 DCAELO O=C(COC1CCCCC1)NC[C@H](O)C[NH+]1CCOCC1 ZINC000129247358 661630917 /nfs/dbraw/zinc/63/09/17/661630917.db2.gz ZNHDNGYPTOMGEN-ZDUSSCGKSA-N 1 2 300.399 0.145 10 0 DCAELO O=S(=O)(C[C@@H]1CCCO1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261828688 661732798 /nfs/dbraw/zinc/73/27/98/661732798.db2.gz YMPKCBSHIDQIQB-KBPBESRZSA-N 1 2 311.407 0.537 10 0 DCAELO C[C@@H]1C[N@H+](CCNC(=O)NCCc2ccccc2O)CCO1 ZINC000729606645 662905035 /nfs/dbraw/zinc/90/50/35/662905035.db2.gz RPAWRZZIPPJZOX-CYBMUJFWSA-N 1 2 307.394 0.955 10 0 DCAELO C[C@@H]1C[N@@H+](CCNC(=O)NCCc2ccccc2O)CCO1 ZINC000729606645 662905036 /nfs/dbraw/zinc/90/50/36/662905036.db2.gz RPAWRZZIPPJZOX-CYBMUJFWSA-N 1 2 307.394 0.955 10 0 DCAELO C[C@H]1C[N@H+](C)C[C@@H](C(=O)NCCN=S2(=O)CCCC2)O1 ZINC000898433255 663090556 /nfs/dbraw/zinc/09/05/56/663090556.db2.gz PSWAZPDKHYIROL-RYUDHWBXSA-N 1 2 303.428 0.084 10 0 DCAELO C[C@H]1C[N@@H+](C)C[C@@H](C(=O)NCCN=S2(=O)CCCC2)O1 ZINC000898433255 663090558 /nfs/dbraw/zinc/09/05/58/663090558.db2.gz PSWAZPDKHYIROL-RYUDHWBXSA-N 1 2 303.428 0.084 10 0 DCAELO O=C(COC1CCCCC1)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000129247635 663779709 /nfs/dbraw/zinc/77/97/09/663779709.db2.gz ZNHDNGYPTOMGEN-CYBMUJFWSA-N 1 2 300.399 0.145 10 0 DCAELO Cc1nc2c(c(N[C@@H]3CCS(=O)(=O)C3)[nH+]1)NC(=O)[C@@H](C)N2 ZINC000224020570 664428743 /nfs/dbraw/zinc/42/87/43/664428743.db2.gz GCCYLPXTXGAWPW-HTRCEHHLSA-N 1 2 311.367 0.137 10 0 DCAELO C[C@H](C(=O)NC[C@@H]1C[N@H+](C)CCO1)N1CCc2ccccc21 ZINC000171286090 664606840 /nfs/dbraw/zinc/60/68/40/664606840.db2.gz OANSMECQORRHMF-UKRRQHHQSA-N 1 2 303.406 0.884 10 0 DCAELO C[C@H](C(=O)NC[C@@H]1C[N@@H+](C)CCO1)N1CCc2ccccc21 ZINC000171286090 664606842 /nfs/dbraw/zinc/60/68/42/664606842.db2.gz OANSMECQORRHMF-UKRRQHHQSA-N 1 2 303.406 0.884 10 0 DCAELO O[C@@H](Cn1cccn1)C[NH+]1CC(OCc2nc(C3CC3)no2)C1 ZINC000886079053 667729425 /nfs/dbraw/zinc/72/94/25/667729425.db2.gz CLMSCNLYZCRMPQ-GFCCVEGCSA-N 1 2 319.365 0.405 10 0 DCAELO Cn1cc(C[N@H+](C)[C@H]2C[C@@H](C(N)=O)C2)c(Br)n1 ZINC000713818098 670170283 /nfs/dbraw/zinc/17/02/83/670170283.db2.gz RKGBDYPFLHPYBQ-OTSSQURYSA-N 1 2 301.188 0.878 10 0 DCAELO Cn1cc(C[N@@H+](C)[C@H]2C[C@@H](C(N)=O)C2)c(Br)n1 ZINC000713818098 670170288 /nfs/dbraw/zinc/17/02/88/670170288.db2.gz RKGBDYPFLHPYBQ-OTSSQURYSA-N 1 2 301.188 0.878 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2cnn(-c3ccccc3)n2)C1 ZINC000194613955 670444299 /nfs/dbraw/zinc/44/42/99/670444299.db2.gz SXUKHEJAVOEHOL-ZDUSSCGKSA-N 1 2 301.350 0.328 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)c2cnn(-c3ccccc3)n2)C1 ZINC000194613955 670444301 /nfs/dbraw/zinc/44/43/01/670444301.db2.gz SXUKHEJAVOEHOL-ZDUSSCGKSA-N 1 2 301.350 0.328 10 0 DCAELO O=C(CCc1c[nH]c[nH+]1)NCCNC(=O)c1ccccc1O ZINC000189219309 1187877964 /nfs/dbraw/zinc/87/79/64/1187877964.db2.gz MWJWOURYGZVEGT-UHFFFAOYSA-N 1 2 302.334 0.594 10 0 DCAELO O=C(CCc1c[nH+]c[nH]1)NCCNC(=O)c1ccccc1O ZINC000189219309 1187877969 /nfs/dbraw/zinc/87/79/69/1187877969.db2.gz MWJWOURYGZVEGT-UHFFFAOYSA-N 1 2 302.334 0.594 10 0 DCAELO C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)CC2=CCCCC2)CCO1 ZINC000276169904 529852315 /nfs/dbraw/zinc/85/23/15/529852315.db2.gz BDEMEQBTELDDRP-AWEZNQCLSA-N 1 2 309.410 0.521 10 0 DCAELO C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)CC2=CCCCC2)CCO1 ZINC000276169904 529852317 /nfs/dbraw/zinc/85/23/17/529852317.db2.gz BDEMEQBTELDDRP-AWEZNQCLSA-N 1 2 309.410 0.521 10 0 DCAELO CNC(=O)[C@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)C ZINC000178421957 529919266 /nfs/dbraw/zinc/91/92/66/529919266.db2.gz PLXDXBNFZUAPQB-CQSZACIVSA-N 1 2 319.409 0.684 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)c2cn(Cc3cccs3)nn2)C1 ZINC000172921971 198168038 /nfs/dbraw/zinc/16/80/38/198168038.db2.gz OJOXOIUGPUJZFJ-LLVKDONJSA-N 1 2 321.406 0.448 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)c2cn(Cc3cccs3)nn2)C1 ZINC000172921971 198168039 /nfs/dbraw/zinc/16/80/39/198168039.db2.gz OJOXOIUGPUJZFJ-LLVKDONJSA-N 1 2 321.406 0.448 10 0 DCAELO C[C@H]1CN(C(=O)c2ccc(N(C)C)nc2)C[C@@H]1[NH+]1CCOCC1 ZINC000173855025 198261211 /nfs/dbraw/zinc/26/12/11/198261211.db2.gz WCHKOZKFHGPVKA-ZFWWWQNUSA-N 1 2 318.421 0.940 10 0 DCAELO C[C@@H](O)C[N@@H+]1CCN(C(=O)COc2ccccc2C=O)C[C@@H]1C ZINC000174355227 198324311 /nfs/dbraw/zinc/32/43/11/198324311.db2.gz YWHZBCSKIMTRLM-UONOGXRCSA-N 1 2 320.389 0.791 10 0 DCAELO C[C@@H](O)C[N@H+]1CCN(C(=O)COc2ccccc2C=O)C[C@@H]1C ZINC000174355227 198324312 /nfs/dbraw/zinc/32/43/12/198324312.db2.gz YWHZBCSKIMTRLM-UONOGXRCSA-N 1 2 320.389 0.791 10 0 DCAELO COC(=O)C[C@H](C)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000132370170 291138390 /nfs/dbraw/zinc/13/83/90/291138390.db2.gz ICMMWNWXZOFKLK-KBPBESRZSA-N 1 2 312.410 0.899 10 0 DCAELO Cc1ncc(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c(C)n1 ZINC000180485331 199165596 /nfs/dbraw/zinc/16/55/96/199165596.db2.gz KIJUQVONAQUQSP-NHYWBVRUSA-N 1 2 304.394 0.886 10 0 DCAELO C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2F)CC[N@@H+]1CCO ZINC000188720384 200293209 /nfs/dbraw/zinc/29/32/09/200293209.db2.gz YVIUJTUHKQTZKK-JTQLQIEISA-N 1 2 320.361 0.652 10 0 DCAELO C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2F)CC[N@H+]1CCO ZINC000188720384 200293211 /nfs/dbraw/zinc/29/32/11/200293211.db2.gz YVIUJTUHKQTZKK-JTQLQIEISA-N 1 2 320.361 0.652 10 0 DCAELO C[C@H](C[NH+]1CCN(c2nccs2)CC1)CS(C)(=O)=O ZINC000162665304 291244572 /nfs/dbraw/zinc/24/45/72/291244572.db2.gz QOVPSDSASLFIIU-LLVKDONJSA-N 1 2 303.453 0.946 10 0 DCAELO Cc1ccc(F)cc1C(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000276564001 238325476 /nfs/dbraw/zinc/32/54/76/238325476.db2.gz SSNUSAGSDUNBEL-CYBMUJFWSA-N 1 2 323.368 0.392 10 0 DCAELO Cc1ccc(F)cc1C(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000276564001 238325481 /nfs/dbraw/zinc/32/54/81/238325481.db2.gz SSNUSAGSDUNBEL-CYBMUJFWSA-N 1 2 323.368 0.392 10 0 DCAELO NC(=O)[C@@H]1COCCN1Cc1[nH+]ccn1Cc1ccccc1 ZINC000092229464 193177564 /nfs/dbraw/zinc/17/75/64/193177564.db2.gz IMVKSLQCUCULCU-AWEZNQCLSA-N 1 2 300.362 0.618 10 0 DCAELO CCN(C)C(=O)[C@@H](C)NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000190065005 284299049 /nfs/dbraw/zinc/29/90/49/284299049.db2.gz WNMAQLJNUDSLJD-LLVKDONJSA-N 1 2 307.398 0.814 10 0 DCAELO CC(=O)Nc1ccc(CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000104780556 194038852 /nfs/dbraw/zinc/03/88/52/194038852.db2.gz MNVSTYNOYPSXOE-OAHLLOKOSA-N 1 2 320.393 0.775 10 0 DCAELO CC(=O)Nc1ccc(CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000104780556 194038855 /nfs/dbraw/zinc/03/88/55/194038855.db2.gz MNVSTYNOYPSXOE-OAHLLOKOSA-N 1 2 320.393 0.775 10 0 DCAELO CCc1nc(CCNC(=O)NC[C@@H]2C[N@H+](C)CCO2)cs1 ZINC000104795523 194040017 /nfs/dbraw/zinc/04/00/17/194040017.db2.gz YBHZSUZXVIWMJL-GFCCVEGCSA-N 1 2 312.439 0.878 10 0 DCAELO CCc1nc(CCNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cs1 ZINC000104795523 194040018 /nfs/dbraw/zinc/04/00/18/194040018.db2.gz YBHZSUZXVIWMJL-GFCCVEGCSA-N 1 2 312.439 0.878 10 0 DCAELO COCc1ccc(CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000104782610 194040677 /nfs/dbraw/zinc/04/06/77/194040677.db2.gz YRQGUNBNIXJTQE-OAHLLOKOSA-N 1 2 307.394 0.963 10 0 DCAELO COCc1ccc(CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000104782610 194040678 /nfs/dbraw/zinc/04/06/78/194040678.db2.gz YRQGUNBNIXJTQE-OAHLLOKOSA-N 1 2 307.394 0.963 10 0 DCAELO CN(C)c1nc(N)nc(C[NH+]2CCC(Cn3cccn3)CC2)n1 ZINC000106184259 194190274 /nfs/dbraw/zinc/19/02/74/194190274.db2.gz NWMMKJSEXYJWJW-UHFFFAOYSA-N 1 2 316.413 0.629 10 0 DCAELO O=C(C[NH+]1CCN(c2ccnc(C3CC3)n2)CC1)NC1CC1 ZINC000110117776 194310813 /nfs/dbraw/zinc/31/08/13/194310813.db2.gz LHDTVRBUCFTSKO-UHFFFAOYSA-N 1 2 301.394 0.755 10 0 DCAELO C[C@@H]1CCCCN1S(=O)(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000328901576 296317205 /nfs/dbraw/zinc/31/72/05/296317205.db2.gz ZGLGKNNOVGEHPO-MCIONIFRSA-N 1 2 317.455 0.511 10 0 DCAELO C[C@@H]1CCCCN1S(=O)(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000328901576 296317206 /nfs/dbraw/zinc/31/72/06/296317206.db2.gz ZGLGKNNOVGEHPO-MCIONIFRSA-N 1 2 317.455 0.511 10 0 DCAELO C[C@H]1COCCN1C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000341324796 253367971 /nfs/dbraw/zinc/36/79/71/253367971.db2.gz SMFLBGFSTJLNOL-ZDUSSCGKSA-N 1 2 305.378 0.775 10 0 DCAELO CCOCCC1(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)CCC1 ZINC000133019211 545797600 /nfs/dbraw/zinc/79/76/00/545797600.db2.gz JWSCYXTTXFVYSD-CQSZACIVSA-N 1 2 314.426 0.393 10 0 DCAELO Cc1cc(CNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)n(C)n1 ZINC000283803875 131025551 /nfs/dbraw/zinc/02/55/51/131025551.db2.gz BJCLGVJHXWYRGP-UONOGXRCSA-N 1 2 307.398 0.343 10 0 DCAELO Cc1cc(CNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)n(C)n1 ZINC000283803875 131025553 /nfs/dbraw/zinc/02/55/53/131025553.db2.gz BJCLGVJHXWYRGP-UONOGXRCSA-N 1 2 307.398 0.343 10 0 DCAELO Cc1nnc2ccc(C(=O)N3CC[C@H]4OCC[N@@H+](C)[C@H]4C3)cn12 ZINC000284320291 131069753 /nfs/dbraw/zinc/06/97/53/131069753.db2.gz BCSVDKMYWVDIGY-UONOGXRCSA-N 1 2 315.377 0.583 10 0 DCAELO Cc1nnc2ccc(C(=O)N3CC[C@H]4OCC[N@H+](C)[C@H]4C3)cn12 ZINC000284320291 131069754 /nfs/dbraw/zinc/06/97/54/131069754.db2.gz BCSVDKMYWVDIGY-UONOGXRCSA-N 1 2 315.377 0.583 10 0 DCAELO CCOC(=O)N1CCN(c2ncnc(-n3cc[nH+]c3)c2N)CC1 ZINC000040801894 134722163 /nfs/dbraw/zinc/72/21/63/134722163.db2.gz YJSHTFCXIWJSRH-UHFFFAOYSA-N 1 2 317.353 0.523 10 0 DCAELO Cc1cc(N)nc(SCC(=O)N2CCC[C@@H](C(N)=O)C2)[nH+]1 ZINC000029914089 395700446 /nfs/dbraw/zinc/70/04/46/395700446.db2.gz OJFCUHXAKNFHSH-SECBINFHSA-N 1 2 309.395 0.183 10 0 DCAELO NC(=O)CSCC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000042497666 395745997 /nfs/dbraw/zinc/74/59/97/395745997.db2.gz ZNRDUJUYKWOXSW-UHFFFAOYSA-N 1 2 305.363 0.102 10 0 DCAELO Cn1nccc1CNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000045680580 395764886 /nfs/dbraw/zinc/76/48/86/395764886.db2.gz FXFDACTVQMUEPA-UHFFFAOYSA-N 1 2 300.366 0.847 10 0 DCAELO CN(C)c1nc(N)nc(C[NH+]2CCC(c3ccnn3C)CC2)n1 ZINC000103473422 395773009 /nfs/dbraw/zinc/77/30/09/395773009.db2.gz HDZRKWLRTINATD-UHFFFAOYSA-N 1 2 316.413 0.633 10 0 DCAELO C[C@H](CNC(=O)NC[C@](C)(O)c1ccccc1)[NH+]1CCOCC1 ZINC000114518383 395835822 /nfs/dbraw/zinc/83/58/22/395835822.db2.gz CGSUXVHDYVMXGF-PBHICJAKSA-N 1 2 321.421 0.914 10 0 DCAELO CN(C(=O)C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1)c1ccccc1 ZINC000116887959 395848036 /nfs/dbraw/zinc/84/80/36/395848036.db2.gz ZKOHEOSVIUMCLL-LBPRGKRZSA-N 1 2 311.407 0.273 10 0 DCAELO CN(C(=O)C[N@H+]1CC[C@H](NS(C)(=O)=O)C1)c1ccccc1 ZINC000116887959 395848038 /nfs/dbraw/zinc/84/80/38/395848038.db2.gz ZKOHEOSVIUMCLL-LBPRGKRZSA-N 1 2 311.407 0.273 10 0 DCAELO Cc1nn(CC(=O)NC[C@H]2C[N@H+](C)CCO2)c(C)c1Cl ZINC000194603514 395800563 /nfs/dbraw/zinc/80/05/63/395800563.db2.gz HXTSZSPDGYIFKH-NSHDSACASA-N 1 2 300.790 0.600 10 0 DCAELO Cc1nn(CC(=O)NC[C@H]2C[N@@H+](C)CCO2)c(C)c1Cl ZINC000194603514 395800565 /nfs/dbraw/zinc/80/05/65/395800565.db2.gz HXTSZSPDGYIFKH-NSHDSACASA-N 1 2 300.790 0.600 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(-n3cccn3)cc2)C1 ZINC000194615262 395801426 /nfs/dbraw/zinc/80/14/26/395801426.db2.gz PLQNOEDWKIPWBK-HNNXBMFYSA-N 1 2 300.362 0.933 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(-n3cccn3)cc2)C1 ZINC000194615262 395801429 /nfs/dbraw/zinc/80/14/29/395801429.db2.gz PLQNOEDWKIPWBK-HNNXBMFYSA-N 1 2 300.362 0.933 10 0 DCAELO C[C@H]1CN(S(=O)(=O)NCc2cn3ccccc3[nH+]2)C[C@H](C)O1 ZINC000055290142 395916285 /nfs/dbraw/zinc/91/62/85/395916285.db2.gz ZHGCBRJGDKMDRI-RYUDHWBXSA-N 1 2 324.406 0.778 10 0 DCAELO OC[C@H]1CCCN1c1cc(N2CCO[C@]3(CCOC3)C2)[nH+]cn1 ZINC000274434501 395947738 /nfs/dbraw/zinc/94/77/38/395947738.db2.gz SNNVDJQLFVQELR-CZUORRHYSA-N 1 2 320.393 0.433 10 0 DCAELO OC[C@H]1CCCN1c1cc(N2CCO[C@]3(CCOC3)C2)nc[nH+]1 ZINC000274434501 395947740 /nfs/dbraw/zinc/94/77/40/395947740.db2.gz SNNVDJQLFVQELR-CZUORRHYSA-N 1 2 320.393 0.433 10 0 DCAELO O=C(C1CC(=O)C1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000136954013 395949433 /nfs/dbraw/zinc/94/94/33/395949433.db2.gz WJNXIHVGIQSGMR-MRXNPFEDSA-N 1 2 302.374 0.843 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H](O)Cc2ccccc2)C1 ZINC000246469821 395950721 /nfs/dbraw/zinc/95/07/21/395950721.db2.gz QOKWNQYWUXXOCT-LSDHHAIUSA-N 1 2 307.394 0.220 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)NC[C@@H](O)Cc2ccccc2)C1 ZINC000246469821 395950724 /nfs/dbraw/zinc/95/07/24/395950724.db2.gz QOKWNQYWUXXOCT-LSDHHAIUSA-N 1 2 307.394 0.220 10 0 DCAELO CCOCCNC(=O)C[N@@H+]1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000246959305 395961960 /nfs/dbraw/zinc/96/19/60/395961960.db2.gz SNGHKMKCBGGRIV-MELADBBJSA-N 1 2 300.399 0.407 10 0 DCAELO CCOCCNC(=O)C[N@H+]1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000246959305 395961964 /nfs/dbraw/zinc/96/19/64/395961964.db2.gz SNGHKMKCBGGRIV-MELADBBJSA-N 1 2 300.399 0.407 10 0 DCAELO COCCN(C)c1ccc(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)cn1 ZINC000248906597 396000337 /nfs/dbraw/zinc/00/03/37/396000337.db2.gz WOWOQZBSLHQVHE-AWEZNQCLSA-N 1 2 319.409 0.374 10 0 DCAELO COCCN(C)c1ccc(C[N@H+]2CCN3C(=O)NC[C@H]3C2)cn1 ZINC000248906597 396000339 /nfs/dbraw/zinc/00/03/39/396000339.db2.gz WOWOQZBSLHQVHE-AWEZNQCLSA-N 1 2 319.409 0.374 10 0 DCAELO CCOCC[N@@H+]1CCN(S(=O)(=O)N(CC)CC)C[C@@H]1C ZINC000247120963 395966580 /nfs/dbraw/zinc/96/65/80/395966580.db2.gz NXRGTBMIBYWOKD-ZDUSSCGKSA-N 1 2 307.460 0.616 10 0 DCAELO CCOCC[N@H+]1CCN(S(=O)(=O)N(CC)CC)C[C@@H]1C ZINC000247120963 395966581 /nfs/dbraw/zinc/96/65/81/395966581.db2.gz NXRGTBMIBYWOKD-ZDUSSCGKSA-N 1 2 307.460 0.616 10 0 DCAELO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000151253821 395982799 /nfs/dbraw/zinc/98/27/99/395982799.db2.gz PQTPLSDVVRNAFD-GHMZBOCLSA-N 1 2 316.365 0.762 10 0 DCAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)NC[C@@]1(O)CCSC1 ZINC000248634195 395992392 /nfs/dbraw/zinc/99/23/92/395992392.db2.gz JMWKNIQXGXUMSW-JSGCOSHPSA-N 1 2 302.440 0.472 10 0 DCAELO CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@@]1(O)CCSC1 ZINC000248634195 395992394 /nfs/dbraw/zinc/99/23/94/395992394.db2.gz JMWKNIQXGXUMSW-JSGCOSHPSA-N 1 2 302.440 0.472 10 0 DCAELO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCS1(=O)=O ZINC000153282397 396023028 /nfs/dbraw/zinc/02/30/28/396023028.db2.gz XHGUCYAIFWRYQR-STQMWFEESA-N 1 2 302.440 0.943 10 0 DCAELO CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCS1(=O)=O ZINC000153282397 396023031 /nfs/dbraw/zinc/02/30/31/396023031.db2.gz XHGUCYAIFWRYQR-STQMWFEESA-N 1 2 302.440 0.943 10 0 DCAELO CCc1ccccc1OCC(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000154128583 396032287 /nfs/dbraw/zinc/03/22/87/396032287.db2.gz HWIBYEYXFUWXLW-OAHLLOKOSA-N 1 2 322.405 0.437 10 0 DCAELO Cn1cnc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)c1 ZINC000261676208 396055468 /nfs/dbraw/zinc/05/54/68/396055468.db2.gz JNODSMHGWDKRMW-GFCCVEGCSA-N 1 2 307.379 0.150 10 0 DCAELO O=S(=O)(C[C@@H]1CCOC1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261874014 396074111 /nfs/dbraw/zinc/07/41/11/396074111.db2.gz SSENKXMPBBPFLK-TZMCWYRMSA-N 1 2 311.407 0.394 10 0 DCAELO CC(C)C[C@@H](CNS(=O)(=O)N1CCCC1)[NH+]1CCOCC1 ZINC000073770144 396150377 /nfs/dbraw/zinc/15/03/77/396150377.db2.gz NQFSLWKDTVVLAO-AWEZNQCLSA-N 1 2 319.471 0.664 10 0 DCAELO CC(C)C(=O)NC[C@@H]1CCCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263269579 396210417 /nfs/dbraw/zinc/21/04/17/396210417.db2.gz RYYWIROVROVAGV-NWDGAFQWSA-N 1 2 317.380 0.994 10 0 DCAELO C[C@H](CS(C)(=O)=O)NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177519613 396177770 /nfs/dbraw/zinc/17/77/70/396177770.db2.gz SIEHDAWFSNPGBL-VXGBXAGGSA-N 1 2 314.411 0.490 10 0 DCAELO COc1ccc([C@H](O)CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)cc1 ZINC000262942848 396193124 /nfs/dbraw/zinc/19/31/24/396193124.db2.gz IYCWUTMSYLRXOM-NWDGAFQWSA-N 1 2 300.305 0.842 10 0 DCAELO Cc1cc(CN2CCN(C(=O)[C@@H]3CC(F)(F)C[NH2+]3)CC2)no1 ZINC000263049353 396199386 /nfs/dbraw/zinc/19/93/86/396199386.db2.gz UJOGVIGTNZZOOR-LBPRGKRZSA-N 1 2 314.336 0.624 10 0 DCAELO c1cn(CCCNc2[nH+]cnc3c2cnn3-c2ncccn2)nn1 ZINC000181367229 396239180 /nfs/dbraw/zinc/23/91/80/396239180.db2.gz PXYOIQLTIANINY-UHFFFAOYSA-N 1 2 322.336 0.699 10 0 DCAELO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C[C@@H](O)C(F)(F)F)CC1 ZINC000181741013 396241570 /nfs/dbraw/zinc/24/15/70/396241570.db2.gz NBYXFFOJEJSDOK-NWDGAFQWSA-N 1 2 323.359 0.538 10 0 DCAELO COc1cc(N2CCN(CCC[NH+]3CCOCC3)CC2)ncn1 ZINC000184061678 396282425 /nfs/dbraw/zinc/28/24/25/396282425.db2.gz MGXABFKFFDXUJN-UHFFFAOYSA-N 1 2 321.425 0.330 10 0 DCAELO CC(=O)N[C@@H]1CCCN(C(=O)NC[C@@H](C)[NH+]2CCOCC2)C1 ZINC000079252489 396263234 /nfs/dbraw/zinc/26/32/34/396263234.db2.gz MTSZUQTUYUGBNS-TZMCWYRMSA-N 1 2 312.414 0.017 10 0 DCAELO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)c2ccccc2OC)CC1 ZINC000184060755 396282761 /nfs/dbraw/zinc/28/27/61/396282761.db2.gz AXJJVIIBMJQFLO-ZDUSSCGKSA-N 1 2 320.389 0.793 10 0 DCAELO CCN(CC1CC1)S(=O)(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000183936853 396278364 /nfs/dbraw/zinc/27/83/64/396278364.db2.gz IRMDQXJQTPJBCE-AWEZNQCLSA-N 1 2 317.455 0.370 10 0 DCAELO COc1cccc([C@@H](O)CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)c1 ZINC000263318474 396213516 /nfs/dbraw/zinc/21/35/16/396213516.db2.gz ZVHLEYWLZZUUOA-NEPJUHHUSA-N 1 2 300.305 0.842 10 0 DCAELO Cc1cnc([C@H](C)[NH2+]CC(=O)N2CCC[C@H](C(N)=O)C2)s1 ZINC000185008466 396314348 /nfs/dbraw/zinc/31/43/48/396314348.db2.gz KXXILQQOECENCN-QWRGUYRKSA-N 1 2 310.423 0.826 10 0 DCAELO COc1cc(N2CC[NH+]([C@@H](C)C(=O)NCC(C)C)CC2)ncn1 ZINC000184082252 396284810 /nfs/dbraw/zinc/28/48/10/396284810.db2.gz MJARFENSYBQZRB-ZDUSSCGKSA-N 1 2 321.425 0.768 10 0 DCAELO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000265708562 396338223 /nfs/dbraw/zinc/33/82/23/396338223.db2.gz VBYLUFUUFGEOFS-QWRGUYRKSA-N 1 2 300.384 0.100 10 0 DCAELO C[C@@H]1CN(C(=O)Cc2cn3ccccc3[nH+]2)CCS1(=O)=O ZINC000265715437 396339122 /nfs/dbraw/zinc/33/91/22/396339122.db2.gz WWMVIRHUULDAMR-LLVKDONJSA-N 1 2 307.375 0.522 10 0 DCAELO Cn1nnc2ccc(C(=O)N3CC[C@H]4OCC[N@H+](C)[C@@H]4C3)cc21 ZINC000284167707 396345127 /nfs/dbraw/zinc/34/51/27/396345127.db2.gz RJJHHXRXOSQDFP-HUUCEWRRSA-N 1 2 315.377 0.513 10 0 DCAELO Cn1nnc2ccc(C(=O)N3CC[C@H]4OCC[N@@H+](C)[C@@H]4C3)cc21 ZINC000284167707 396345131 /nfs/dbraw/zinc/34/51/31/396345131.db2.gz RJJHHXRXOSQDFP-HUUCEWRRSA-N 1 2 315.377 0.513 10 0 DCAELO O=C(N[C@H]1CCc2ncnn2C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000265753857 396341423 /nfs/dbraw/zinc/34/14/23/396341423.db2.gz PTGRFTRJKKGGES-NEPJUHHUSA-N 1 2 315.381 0.905 10 0 DCAELO Cc1cc(N2CC[NH+](CC(=O)NC[C@H]3CCCO3)CC2)n[nH]1 ZINC000187256618 396365699 /nfs/dbraw/zinc/36/56/99/396365699.db2.gz CGWAMWYXLFPBJS-CYBMUJFWSA-N 1 2 307.398 0.135 10 0 DCAELO CCN(C)C(=O)CNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000187539279 396371254 /nfs/dbraw/zinc/37/12/54/396371254.db2.gz UHSDPUWEROXPFX-UHFFFAOYSA-N 1 2 319.409 0.828 10 0 DCAELO COCc1cccc(CNC(=O)C[N@@H+]2CCCNC(=O)[C@H]2C)c1 ZINC000189306895 396393182 /nfs/dbraw/zinc/39/31/82/396393182.db2.gz NRSDOCJWEMDOGI-CYBMUJFWSA-N 1 2 319.405 0.660 10 0 DCAELO COCc1cccc(CNC(=O)C[N@H+]2CCCNC(=O)[C@H]2C)c1 ZINC000189306895 396393185 /nfs/dbraw/zinc/39/31/85/396393185.db2.gz NRSDOCJWEMDOGI-CYBMUJFWSA-N 1 2 319.405 0.660 10 0 DCAELO CCCOc1nc(C)ccc1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000189649211 396397157 /nfs/dbraw/zinc/39/71/57/396397157.db2.gz VOTXENRGXLFQGJ-AWEZNQCLSA-N 1 2 318.421 0.908 10 0 DCAELO CS(=O)(=O)CCC[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189635000 396397173 /nfs/dbraw/zinc/39/71/73/396397173.db2.gz QBSKIGKGPIZCAW-UHFFFAOYSA-N 1 2 312.439 0.844 10 0 DCAELO Cc1nn(C)cc1NC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000189707444 396397872 /nfs/dbraw/zinc/39/78/72/396397872.db2.gz UHHYOCNWYXURKU-SMDDNHRTSA-N 1 2 307.398 0.913 10 0 DCAELO CC(=O)NC1CN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000190288858 396404335 /nfs/dbraw/zinc/40/43/35/396404335.db2.gz DVAAQVXFFXCMRZ-GFCCVEGCSA-N 1 2 303.366 0.190 10 0 DCAELO CCc1nnc(C2CC[NH+]([C@H](C)C(=O)NCC(=O)OC)CC2)[nH]1 ZINC000190708678 396410374 /nfs/dbraw/zinc/41/03/74/396410374.db2.gz DFTJYAIUBCWWAT-SNVBAGLBSA-N 1 2 323.397 0.224 10 0 DCAELO CCc1n[nH]c(C2CC[NH+]([C@H](C)C(=O)NCC(=O)OC)CC2)n1 ZINC000190708678 396410377 /nfs/dbraw/zinc/41/03/77/396410377.db2.gz DFTJYAIUBCWWAT-SNVBAGLBSA-N 1 2 323.397 0.224 10 0 DCAELO CCc1nc(C2CC[NH+]([C@H](C)C(=O)NCC(=O)OC)CC2)n[nH]1 ZINC000190708678 396410379 /nfs/dbraw/zinc/41/03/79/396410379.db2.gz DFTJYAIUBCWWAT-SNVBAGLBSA-N 1 2 323.397 0.224 10 0 DCAELO Cc1nn(C)cc1NC(=O)C(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000190753234 396410789 /nfs/dbraw/zinc/41/07/89/396410789.db2.gz XQKAFJNWGWDXFO-LBPRGKRZSA-N 1 2 316.365 0.555 10 0 DCAELO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000190837073 396411516 /nfs/dbraw/zinc/41/15/16/396411516.db2.gz JCOJXCFPACWADS-ZDUSSCGKSA-N 1 2 316.427 0.282 10 0 DCAELO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000190837073 396411519 /nfs/dbraw/zinc/41/15/19/396411519.db2.gz JCOJXCFPACWADS-ZDUSSCGKSA-N 1 2 316.427 0.282 10 0 DCAELO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](CCN2CCOC[C@@H]2C)C1 ZINC000192812361 396438132 /nfs/dbraw/zinc/43/81/32/396438132.db2.gz INJUKTOCNRQAPU-FPMFFAJLSA-N 1 2 310.398 0.861 10 0 DCAELO CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](CCN2CCOC[C@@H]2C)C1 ZINC000192812361 396438133 /nfs/dbraw/zinc/43/81/33/396438133.db2.gz INJUKTOCNRQAPU-FPMFFAJLSA-N 1 2 310.398 0.861 10 0 DCAELO CO[C@H]1C[C@H](c2nc(C)no2)N(CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC000192812361 396438134 /nfs/dbraw/zinc/43/81/34/396438134.db2.gz INJUKTOCNRQAPU-FPMFFAJLSA-N 1 2 310.398 0.861 10 0 DCAELO CO[C@H]1C[C@H](c2nc(C)no2)N(CC[N@H+]2CCOC[C@@H]2C)C1 ZINC000192812361 396438135 /nfs/dbraw/zinc/43/81/35/396438135.db2.gz INJUKTOCNRQAPU-FPMFFAJLSA-N 1 2 310.398 0.861 10 0 DCAELO Cc1noc([C@@H](C)N2CC[NH+](CC(=O)NC(C)(C)C)CC2)n1 ZINC000193019113 396442324 /nfs/dbraw/zinc/44/23/24/396442324.db2.gz GAFDOOILGCFIGS-LLVKDONJSA-N 1 2 309.414 0.971 10 0 DCAELO O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCN2CCOC[C@H]2C1 ZINC000371870767 396479448 /nfs/dbraw/zinc/47/94/48/396479448.db2.gz STVXAECXLRATLP-CQSZACIVSA-N 1 2 313.361 0.424 10 0 DCAELO CCOC(=O)C[C@H](O)C[N@@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000312659504 396766632 /nfs/dbraw/zinc/76/66/32/396766632.db2.gz GROZUDVBKKPKPL-NEPJUHHUSA-N 1 2 307.412 0.057 10 0 DCAELO CCOC(=O)C[C@H](O)C[N@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000312659504 396766636 /nfs/dbraw/zinc/76/66/36/396766636.db2.gz GROZUDVBKKPKPL-NEPJUHHUSA-N 1 2 307.412 0.057 10 0 DCAELO CN(C[C@H]1CCn2cc[nH+]c2C1)C(=O)CN1CSCC1=O ZINC000328635184 396826569 /nfs/dbraw/zinc/82/65/69/396826569.db2.gz UQPMPAMUFGAQPB-NSHDSACASA-N 1 2 308.407 0.437 10 0 DCAELO O=C(C[N@@H+]1C[C@@H]2COC[C@H](C1)O2)N1CCO[C@H]2CCCC[C@@H]21 ZINC000328701321 396830356 /nfs/dbraw/zinc/83/03/56/396830356.db2.gz WOUKFAMTUHSNBN-XGUBFFRZSA-N 1 2 310.394 0.256 10 0 DCAELO O=C(C[N@H+]1C[C@@H]2COC[C@H](C1)O2)N1CCO[C@H]2CCCC[C@@H]21 ZINC000328701321 396830361 /nfs/dbraw/zinc/83/03/61/396830361.db2.gz WOUKFAMTUHSNBN-XGUBFFRZSA-N 1 2 310.394 0.256 10 0 DCAELO CCn1cnnc1[C@@H]1C[N@H+](C[C@@H](O)COCC(C)C)CCO1 ZINC000328653087 396831671 /nfs/dbraw/zinc/83/16/71/396831671.db2.gz WSXXBJXODJWYDM-KGLIPLIRSA-N 1 2 312.414 0.705 10 0 DCAELO CCn1cnnc1[C@@H]1C[N@@H+](C[C@@H](O)COCC(C)C)CCO1 ZINC000328653087 396831673 /nfs/dbraw/zinc/83/16/73/396831673.db2.gz WSXXBJXODJWYDM-KGLIPLIRSA-N 1 2 312.414 0.705 10 0 DCAELO Cn1cc(OCC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cn1 ZINC000573340666 397159555 /nfs/dbraw/zinc/15/95/55/397159555.db2.gz XCIIFFVUZALRLH-CYBMUJFWSA-N 1 2 308.382 0.122 10 0 DCAELO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)CCCCc1c[nH]nn1 ZINC000378059124 397187327 /nfs/dbraw/zinc/18/73/27/397187327.db2.gz YAEZQDJNLHHXKR-UKRRQHHQSA-N 1 2 321.425 0.839 10 0 DCAELO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)CCCCc1cn[nH]n1 ZINC000378059124 397187330 /nfs/dbraw/zinc/18/73/30/397187330.db2.gz YAEZQDJNLHHXKR-UKRRQHHQSA-N 1 2 321.425 0.839 10 0 DCAELO CC1(C)C[N@H+](Cc2cc(=O)n3[nH]ccc3n2)C[C@@]2(CCOC2)O1 ZINC000366589445 397382567 /nfs/dbraw/zinc/38/25/67/397382567.db2.gz KPMBMKRLYOAMJJ-MRXNPFEDSA-N 1 2 318.377 0.793 10 0 DCAELO CC1(C)C[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)C[C@@]2(CCOC2)O1 ZINC000366589445 397382569 /nfs/dbraw/zinc/38/25/69/397382569.db2.gz KPMBMKRLYOAMJJ-MRXNPFEDSA-N 1 2 318.377 0.793 10 0 DCAELO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1cc(=O)n2nccc2[nH]1 ZINC000369042824 397431391 /nfs/dbraw/zinc/43/13/91/397431391.db2.gz XEFKMUJXNGTTDI-NVBFEUDRSA-N 1 2 316.361 0.796 10 0 DCAELO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1cc(=O)n2nccc2[nH]1 ZINC000369042824 397431396 /nfs/dbraw/zinc/43/13/96/397431396.db2.gz XEFKMUJXNGTTDI-NVBFEUDRSA-N 1 2 316.361 0.796 10 0 DCAELO O=C(NCCOCC(F)F)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000578188139 397401798 /nfs/dbraw/zinc/40/17/98/397401798.db2.gz KWCAYMAJZUKMCK-UHFFFAOYSA-N 1 2 312.276 0.671 10 0 DCAELO Cn1nnnc1SCCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603881560 397624825 /nfs/dbraw/zinc/62/48/25/397624825.db2.gz FEKGNTGWGQZTHE-UHFFFAOYSA-N 1 2 303.351 0.979 10 0 DCAELO Cc1nnc(CN2CC[NH+]([C@@H](C(N)=O)c3ccccc3)CC2)[nH]1 ZINC000605422544 397664449 /nfs/dbraw/zinc/66/44/49/397664449.db2.gz HPNXIAIJLINKEG-OAHLLOKOSA-N 1 2 314.393 0.457 10 0 DCAELO COc1ccc(O)c(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000284604870 286337906 /nfs/dbraw/zinc/33/79/06/286337906.db2.gz SYMQKEOBZKBEDS-DZGCQCFKSA-N 1 2 306.362 0.946 10 0 DCAELO COc1ccc(O)c(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000284604870 286337908 /nfs/dbraw/zinc/33/79/08/286337908.db2.gz SYMQKEOBZKBEDS-DZGCQCFKSA-N 1 2 306.362 0.946 10 0 DCAELO Cc1noc(COCC(=O)N2CCC(n3cc[nH+]c3)CC2)n1 ZINC000072571987 158051103 /nfs/dbraw/zinc/05/11/03/158051103.db2.gz CHBXWQJMOWCPQA-UHFFFAOYSA-N 1 2 305.338 0.955 10 0 DCAELO C[C@@H]1COC[C@@H](C)[NH+]1CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000077365982 158068006 /nfs/dbraw/zinc/06/80/06/158068006.db2.gz YOTZNDKRHNYWHO-CHWSQXEVSA-N 1 2 309.410 0.176 10 0 DCAELO Cc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000083700423 158087906 /nfs/dbraw/zinc/08/79/06/158087906.db2.gz QVLZPOLZBDVAAX-YPMHNXCESA-N 1 2 322.413 0.441 10 0 DCAELO O=C(CCNC(=O)c1ccco1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000114854357 158158082 /nfs/dbraw/zinc/15/80/82/158158082.db2.gz OSNPUDORYJNOPE-ZDUSSCGKSA-N 1 2 321.377 0.379 10 0 DCAELO O=C(CCNC(=O)c1ccco1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000114854357 158158084 /nfs/dbraw/zinc/15/80/84/158158084.db2.gz OSNPUDORYJNOPE-ZDUSSCGKSA-N 1 2 321.377 0.379 10 0 DCAELO O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)N1CCCC1 ZINC000115632828 158163229 /nfs/dbraw/zinc/16/32/29/158163229.db2.gz TWXDHRJCDIPIPF-UHFFFAOYSA-N 1 2 308.426 0.736 10 0 DCAELO O=C(COC[C@@H]1CCOC1)NCc1cccnc1-n1cc[nH+]c1 ZINC000117752002 158173257 /nfs/dbraw/zinc/17/32/57/158173257.db2.gz FPALWXXMWWOWIP-CYBMUJFWSA-N 1 2 316.361 0.937 10 0 DCAELO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)CSCC(N)=O)C1 ZINC000120686831 158202675 /nfs/dbraw/zinc/20/26/75/158202675.db2.gz HKCIUPMFPIOGIQ-LLVKDONJSA-N 1 2 310.423 0.420 10 0 DCAELO O=C(NCC[NH+]1CCOCC1)N1CCC(Cn2cccn2)CC1 ZINC000122393199 158221023 /nfs/dbraw/zinc/22/10/23/158221023.db2.gz CYPYUCOMSKWQML-UHFFFAOYSA-N 1 2 321.425 0.637 10 0 DCAELO C[C@H]1CCCN(S(=O)(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000123641302 158233396 /nfs/dbraw/zinc/23/33/96/158233396.db2.gz AICWCJVBJYTHGG-GXTWGEPZSA-N 1 2 317.455 0.416 10 0 DCAELO C[C@H]1CCCN(S(=O)(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000123641302 158233398 /nfs/dbraw/zinc/23/33/98/158233398.db2.gz AICWCJVBJYTHGG-GXTWGEPZSA-N 1 2 317.455 0.416 10 0 DCAELO CSCc1noc(CCC(=O)NC[C@@H]2C[N@H+](C)CCO2)n1 ZINC000128418072 158281014 /nfs/dbraw/zinc/28/10/14/158281014.db2.gz OMWIJBPSAGAVQO-SNVBAGLBSA-N 1 2 314.411 0.312 10 0 DCAELO CSCc1noc(CCC(=O)NC[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000128418072 158281017 /nfs/dbraw/zinc/28/10/17/158281017.db2.gz OMWIJBPSAGAVQO-SNVBAGLBSA-N 1 2 314.411 0.312 10 0 DCAELO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)[C@@H]1CCCc2n[nH]cc21 ZINC000135574139 158338609 /nfs/dbraw/zinc/33/86/09/158338609.db2.gz MMKXEVFBASNJKK-QWHCGFSZSA-N 1 2 304.394 0.809 10 0 DCAELO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)[C@@H]1CCCc2n[nH]cc21 ZINC000135574139 158338612 /nfs/dbraw/zinc/33/86/12/158338612.db2.gz MMKXEVFBASNJKK-QWHCGFSZSA-N 1 2 304.394 0.809 10 0 DCAELO CC(C)NC(=O)C[N@@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000135722123 158340479 /nfs/dbraw/zinc/34/04/79/158340479.db2.gz SACQCRPVMPINJG-GFCCVEGCSA-N 1 2 303.428 0.011 10 0 DCAELO CC(C)NC(=O)C[N@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000135722123 158340481 /nfs/dbraw/zinc/34/04/81/158340481.db2.gz SACQCRPVMPINJG-GFCCVEGCSA-N 1 2 303.428 0.011 10 0 DCAELO CN(C)c1[nH+]cccc1CNC(=O)CNC(=O)c1ccccn1 ZINC000172512209 158394559 /nfs/dbraw/zinc/39/45/59/158394559.db2.gz KAFPLTGLRYVRLD-UHFFFAOYSA-N 1 2 313.361 0.589 10 0 DCAELO CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172756186 158398425 /nfs/dbraw/zinc/39/84/25/158398425.db2.gz WBVYVHUTXGWPCW-HUUCEWRRSA-N 1 2 323.437 0.567 10 0 DCAELO CO[C@H](C(=O)N1CC[NH2+][C@@H](c2cccnc2)C1)c1cnn(C)c1 ZINC000328660925 159018093 /nfs/dbraw/zinc/01/80/93/159018093.db2.gz WEWBMZKEAZHDQC-CABCVRRESA-N 1 2 315.377 0.676 10 0 DCAELO C[C@H](CC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1)N1CCCCC1=O ZINC000328755032 159027150 /nfs/dbraw/zinc/02/71/50/159027150.db2.gz SQKPMVKQDTZIQY-RDBSUJKOSA-N 1 2 309.410 0.319 10 0 DCAELO C[C@H](CC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1)N1CCCCC1=O ZINC000328755032 159027152 /nfs/dbraw/zinc/02/71/52/159027152.db2.gz SQKPMVKQDTZIQY-RDBSUJKOSA-N 1 2 309.410 0.319 10 0 DCAELO CN(Cc1nc2cccnc2s1)C[C@H](O)C[NH+]1CCOCC1 ZINC000328852401 159034765 /nfs/dbraw/zinc/03/47/65/159034765.db2.gz BUASNJRFIUGJHF-LBPRGKRZSA-N 1 2 322.434 0.816 10 0 DCAELO Cc1ccn(CC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)c(=O)c1 ZINC000328867513 159035783 /nfs/dbraw/zinc/03/57/83/159035783.db2.gz GYTZSAYEZYXXBM-ZIAGYGMSSA-N 1 2 305.378 0.088 10 0 DCAELO Cc1ccn(CC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)c(=O)c1 ZINC000328867513 159035785 /nfs/dbraw/zinc/03/57/85/159035785.db2.gz GYTZSAYEZYXXBM-ZIAGYGMSSA-N 1 2 305.378 0.088 10 0 DCAELO CC[C@@H]1CN(C(=O)[C@@H]2CCc3[nH]nnc3C2)CC[N@@H+]1C[C@@H](C)O ZINC000328985049 159049997 /nfs/dbraw/zinc/04/99/97/159049997.db2.gz SZSAJUFCLWWHBW-JHJVBQTASA-N 1 2 321.425 0.213 10 0 DCAELO CC[C@@H]1CN(C(=O)[C@@H]2CCc3[nH]nnc3C2)CC[N@H+]1C[C@@H](C)O ZINC000328985049 159049998 /nfs/dbraw/zinc/04/99/98/159049998.db2.gz SZSAJUFCLWWHBW-JHJVBQTASA-N 1 2 321.425 0.213 10 0 DCAELO CC[C@@H]1CN(C(=O)[C@@H]2CCc3nn[nH]c3C2)CC[N@@H+]1C[C@@H](C)O ZINC000328985049 159049999 /nfs/dbraw/zinc/04/99/99/159049999.db2.gz SZSAJUFCLWWHBW-JHJVBQTASA-N 1 2 321.425 0.213 10 0 DCAELO CC[C@@H]1CN(C(=O)[C@@H]2CCc3nn[nH]c3C2)CC[N@H+]1C[C@@H](C)O ZINC000328985049 159050001 /nfs/dbraw/zinc/05/00/01/159050001.db2.gz SZSAJUFCLWWHBW-JHJVBQTASA-N 1 2 321.425 0.213 10 0 DCAELO CO[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C[C@@H]1OC ZINC000329526091 159099557 /nfs/dbraw/zinc/09/95/57/159099557.db2.gz SXOLPEWBPHMBTG-KFWWJZLASA-N 1 2 312.410 0.360 10 0 DCAELO CO[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C[C@@H]1OC ZINC000329526091 159099560 /nfs/dbraw/zinc/09/95/60/159099560.db2.gz SXOLPEWBPHMBTG-KFWWJZLASA-N 1 2 312.410 0.360 10 0 DCAELO CC1CCN(S(=O)(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000329765621 159118533 /nfs/dbraw/zinc/11/85/33/159118533.db2.gz XDXHAMGATJTKBD-AWEZNQCLSA-N 1 2 317.455 0.416 10 0 DCAELO CC1CCN(S(=O)(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000329765621 159118536 /nfs/dbraw/zinc/11/85/36/159118536.db2.gz XDXHAMGATJTKBD-AWEZNQCLSA-N 1 2 317.455 0.416 10 0 DCAELO Cn1cc(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)c(=O)[nH]c1=O ZINC000329913494 159128845 /nfs/dbraw/zinc/12/88/45/159128845.db2.gz XKFJTWWYJKVRGN-NSHDSACASA-N 1 2 316.317 0.174 10 0 DCAELO C[C@H](C(=O)N1CC[C@@H](OCc2ccccn2)C1)[NH+]1CCOCC1 ZINC000330186608 159148883 /nfs/dbraw/zinc/14/88/83/159148883.db2.gz SEFGQMMLCZESCW-GDBMZVCRSA-N 1 2 319.405 0.920 10 0 DCAELO Cc1[nH]ncc1C[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1C ZINC000330308228 159158462 /nfs/dbraw/zinc/15/84/62/159158462.db2.gz SQINYIGSFLXIMF-HIFRSBDPSA-N 1 2 302.382 0.822 10 0 DCAELO C[C@H]1OCC[C@]1(O)CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000332770342 159213361 /nfs/dbraw/zinc/21/33/61/159213361.db2.gz IRUDPVOIOWMADI-WBOJAVRRSA-N 1 2 319.405 0.810 10 0 DCAELO O=C1[C@@H](Nc2ncccn2)CCCN1CC[NH+]1CCOCC1 ZINC000364685039 159275333 /nfs/dbraw/zinc/27/53/33/159275333.db2.gz KIBABESTEUAWCO-ZDUSSCGKSA-N 1 2 305.382 0.212 10 0 DCAELO CCC(=O)N[C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCN(C)CC2)C1 ZINC000407979231 160001404 /nfs/dbraw/zinc/00/14/04/160001404.db2.gz SXPHZTBMZYXUTO-KBPBESRZSA-N 1 2 310.442 0.140 10 0 DCAELO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)N2CCCC[C@H]2C)CC1 ZINC000407990363 160004561 /nfs/dbraw/zinc/00/45/61/160004561.db2.gz NOYAAPTWDNWNPE-KGLIPLIRSA-N 1 2 319.471 0.494 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(NC(N)=O)cc3)C[C@@H]21 ZINC000408023610 160015159 /nfs/dbraw/zinc/01/51/59/160015159.db2.gz SZSNWPIBNXMIPW-KBPBESRZSA-N 1 2 318.377 0.722 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(NC(N)=O)cc3)C[C@@H]21 ZINC000408023610 160015161 /nfs/dbraw/zinc/01/51/61/160015161.db2.gz SZSNWPIBNXMIPW-KBPBESRZSA-N 1 2 318.377 0.722 10 0 DCAELO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)C1 ZINC000408031354 160016977 /nfs/dbraw/zinc/01/69/77/160016977.db2.gz SWHMPUVCCCESFX-RDBSUJKOSA-N 1 2 309.410 0.176 10 0 DCAELO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)C1 ZINC000408031354 160016979 /nfs/dbraw/zinc/01/69/79/160016979.db2.gz SWHMPUVCCCESFX-RDBSUJKOSA-N 1 2 309.410 0.176 10 0 DCAELO CCNC(=O)NC(=O)C[N@@H+]1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000408042446 160020203 /nfs/dbraw/zinc/02/02/03/160020203.db2.gz HGXWKZCVFKANTM-UPJWGTAASA-N 1 2 313.398 0.084 10 0 DCAELO CCNC(=O)NC(=O)C[N@H+]1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000408042446 160020204 /nfs/dbraw/zinc/02/02/04/160020204.db2.gz HGXWKZCVFKANTM-UPJWGTAASA-N 1 2 313.398 0.084 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)Nc3cccc(C(N)=O)n3)C[C@@H]21 ZINC000408044157 160021641 /nfs/dbraw/zinc/02/16/41/160021641.db2.gz TVCXVJGUPLZHAI-RYUDHWBXSA-N 1 2 319.365 0.117 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3cccc(C(N)=O)n3)C[C@@H]21 ZINC000408044157 160021642 /nfs/dbraw/zinc/02/16/42/160021642.db2.gz TVCXVJGUPLZHAI-RYUDHWBXSA-N 1 2 319.365 0.117 10 0 DCAELO C[C@H](C(=O)N1CCCN(c2cccnn2)CC1)[NH+]1CCOCC1 ZINC000408087197 160032725 /nfs/dbraw/zinc/03/27/25/160032725.db2.gz AKVXZLOQPMWQRW-CQSZACIVSA-N 1 2 319.409 0.236 10 0 DCAELO C[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000408113274 160038866 /nfs/dbraw/zinc/03/88/66/160038866.db2.gz REMMJKLWXMYGQL-JTQLQIEISA-N 1 2 315.395 0.306 10 0 DCAELO C[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000408113274 160038869 /nfs/dbraw/zinc/03/88/69/160038869.db2.gz REMMJKLWXMYGQL-JTQLQIEISA-N 1 2 315.395 0.306 10 0 DCAELO C[C@@H]1C[NH+](CCCNS(=O)(=O)NC2CCCC2)C[C@@H](C)O1 ZINC000408209179 160060941 /nfs/dbraw/zinc/06/09/41/160060941.db2.gz YZNDETKDGVMZGP-CHWSQXEVSA-N 1 2 319.471 0.852 10 0 DCAELO C[C@@H](O)C1CCN(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000408208337 160061036 /nfs/dbraw/zinc/06/10/36/160061036.db2.gz MBGBJDRMBKSXHR-UONOGXRCSA-N 1 2 312.458 0.425 10 0 DCAELO Cn1cc[nH+]c1[C@@H]1CN(C(=O)C2CCC(O)CC2)CCN1C ZINC000408291171 160077863 /nfs/dbraw/zinc/07/78/63/160077863.db2.gz VOTUHTXGUJRLDZ-RUXDESIVSA-N 1 2 306.410 0.786 10 0 DCAELO CC(C)N(C)C(=O)C[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000408401089 160101222 /nfs/dbraw/zinc/10/12/22/160101222.db2.gz AYYJLSIMGUYDAG-CYBMUJFWSA-N 1 2 317.455 0.353 10 0 DCAELO CC(C)N(C)C(=O)C[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000408401089 160101223 /nfs/dbraw/zinc/10/12/23/160101223.db2.gz AYYJLSIMGUYDAG-CYBMUJFWSA-N 1 2 317.455 0.353 10 0 DCAELO C[C@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@H]1[NH+]1CCOCC1 ZINC000408417099 160103733 /nfs/dbraw/zinc/10/37/33/160103733.db2.gz XNXZORJDJWZZIG-WDEREUQCSA-N 1 2 307.350 0.171 10 0 DCAELO Cc1[nH]c2ccccc2c1C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000129047369 286986174 /nfs/dbraw/zinc/98/61/74/286986174.db2.gz QKJAMEFNYPDBLR-ZDUSSCGKSA-N 1 2 317.389 0.899 10 0 DCAELO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H](C)Oc1cccc(CO)c1 ZINC000136033484 287024999 /nfs/dbraw/zinc/02/49/99/287024999.db2.gz FOSDADIHRUXDOE-KBPBESRZSA-N 1 2 322.405 0.783 10 0 DCAELO O=C(NCC[NH+]1CCOCC1)c1cccc(C(=O)NC2CC2)c1 ZINC000242913072 287068380 /nfs/dbraw/zinc/06/83/80/287068380.db2.gz GUJCJRDNVBTPQS-UHFFFAOYSA-N 1 2 317.389 0.641 10 0 DCAELO NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000408060312 287233168 /nfs/dbraw/zinc/23/31/68/287233168.db2.gz DFGCDLIUTPWCGM-ZJUUUORDSA-N 1 2 307.316 0.388 10 0 DCAELO C[C@H](CNC(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CCOCC1 ZINC000043712331 415213931 /nfs/dbraw/zinc/21/39/31/415213931.db2.gz VRORLIASJAYGBW-LLVKDONJSA-N 1 2 306.366 0.628 10 0 DCAELO CC(C)Cn1cc[nH+]c1CNC(=O)N[C@@H](C)CS(C)(=O)=O ZINC000074217591 415426928 /nfs/dbraw/zinc/42/69/28/415426928.db2.gz GDYHFRAOEAGGNJ-NSHDSACASA-N 1 2 316.427 0.771 10 0 DCAELO CCc1nnc(C[N@@H+]2CCC[C@@H](n3ccc(C(=O)NC)n3)C2)[nH]1 ZINC000275581670 415374297 /nfs/dbraw/zinc/37/42/97/415374297.db2.gz FSOUSVVSUWKBCW-LLVKDONJSA-N 1 2 317.397 0.760 10 0 DCAELO CCc1nnc(C[N@H+]2CCC[C@@H](n3ccc(C(=O)NC)n3)C2)[nH]1 ZINC000275581670 415374310 /nfs/dbraw/zinc/37/43/10/415374310.db2.gz FSOUSVVSUWKBCW-LLVKDONJSA-N 1 2 317.397 0.760 10 0 DCAELO C[C@H]1CC[C@@H](NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000332674931 415434085 /nfs/dbraw/zinc/43/40/85/415434085.db2.gz BLDRYSWEVVYICQ-UONOGXRCSA-N 1 2 321.425 1.525 10 0 DCAELO CC[C@@H](CO)N1CC[NH+](C[C@H](O)COCc2ccco2)CC1 ZINC000075963002 415453618 /nfs/dbraw/zinc/45/36/18/415453618.db2.gz FPRXCESYAHZHIT-GJZGRUSLSA-N 1 2 312.410 0.546 10 0 DCAELO CN(C)c1[nH+]cccc1N(C)C(=O)CCN1C(=O)CCC1=O ZINC000079722991 415472856 /nfs/dbraw/zinc/47/28/56/415472856.db2.gz NOKVHGAWXDEAJQ-UHFFFAOYSA-N 1 2 304.350 0.650 10 0 DCAELO COC(C)(C)C(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000088212679 415514706 /nfs/dbraw/zinc/51/47/06/415514706.db2.gz JVDBWXYJFOBPTG-CYBMUJFWSA-N 1 2 311.426 0.567 10 0 DCAELO CCC(=O)N1CSC[C@H]1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000333003522 415526964 /nfs/dbraw/zinc/52/69/64/415526964.db2.gz JGRBTSDCWFBONJ-QWRGUYRKSA-N 1 2 308.407 0.626 10 0 DCAELO Cn1cnc2c1nccc2C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000287191856 415643839 /nfs/dbraw/zinc/64/38/39/415643839.db2.gz UJEWGWQUILIDSG-STQMWFEESA-N 1 2 315.377 0.513 10 0 DCAELO Cn1cnc2c1nccc2C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000287191856 415643845 /nfs/dbraw/zinc/64/38/45/415643845.db2.gz UJEWGWQUILIDSG-STQMWFEESA-N 1 2 315.377 0.513 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)c2cc(=O)[nH]c3cc(F)ccc32)C1 ZINC000120223933 415760757 /nfs/dbraw/zinc/76/07/57/415760757.db2.gz WKHZOGYQLNORNB-LLVKDONJSA-N 1 2 319.336 0.728 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)c2cc(=O)[nH]c3cc(F)ccc32)C1 ZINC000120223933 415760759 /nfs/dbraw/zinc/76/07/59/415760759.db2.gz WKHZOGYQLNORNB-LLVKDONJSA-N 1 2 319.336 0.728 10 0 DCAELO C[C@@H]1C[C@@H](S(=O)(=O)NC(C)(C)C[NH+]2CCOCC2)CCO1 ZINC000333923430 415764131 /nfs/dbraw/zinc/76/41/31/415764131.db2.gz SDXPOLPNDPYGQS-OLZOCXBDSA-N 1 2 320.455 0.584 10 0 DCAELO CO[C@H](C(=O)NC[C@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC000120407164 415767606 /nfs/dbraw/zinc/76/76/06/415767606.db2.gz FUGWNUZXQQTGFS-GJZGRUSLSA-N 1 2 308.378 0.183 10 0 DCAELO c1c2n(nc1-c1nc([C@@H]3C[NH+]4CCN3CC4)no1)CCCC2 ZINC000333865431 415756556 /nfs/dbraw/zinc/75/65/56/415756556.db2.gz SPTAQTMSLSKLSU-ZDUSSCGKSA-N 1 2 300.366 0.942 10 0 DCAELO CCn1c(N)c(C(=O)C[N@H+](C)Cc2ccc(C)o2)c(=O)[nH]c1=O ZINC000127992920 415896519 /nfs/dbraw/zinc/89/65/19/415896519.db2.gz SBIKXHQHRGEMRA-UHFFFAOYSA-N 1 2 320.349 0.355 10 0 DCAELO CCn1c(N)c(C(=O)C[N@@H+](C)Cc2ccc(C)o2)c(=O)[nH]c1=O ZINC000127992920 415896522 /nfs/dbraw/zinc/89/65/22/415896522.db2.gz SBIKXHQHRGEMRA-UHFFFAOYSA-N 1 2 320.349 0.355 10 0 DCAELO Cc1cc(C(=O)N2CC[NH+](C3CC3)CC2)c2c(=O)[nH]n(C)c2n1 ZINC000124746200 415853444 /nfs/dbraw/zinc/85/34/44/415853444.db2.gz SCSOWLDJMJETQR-UHFFFAOYSA-N 1 2 315.377 0.490 10 0 DCAELO CCNC(=O)C[N@H+](CC)[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000133500326 415946637 /nfs/dbraw/zinc/94/66/37/415946637.db2.gz GFLZDEGCPWILAM-GFCCVEGCSA-N 1 2 307.398 0.292 10 0 DCAELO CCNC(=O)C[N@@H+](CC)[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000133500326 415946640 /nfs/dbraw/zinc/94/66/40/415946640.db2.gz GFLZDEGCPWILAM-GFCCVEGCSA-N 1 2 307.398 0.292 10 0 DCAELO CC[C@@H](CO)NC(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000173424249 416058714 /nfs/dbraw/zinc/05/87/14/416058714.db2.gz GNUJZAYTYYHTMP-RYUDHWBXSA-N 1 2 322.413 0.557 10 0 DCAELO CC[C@@H](CO)NC(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000173424249 416058715 /nfs/dbraw/zinc/05/87/15/416058715.db2.gz GNUJZAYTYYHTMP-RYUDHWBXSA-N 1 2 322.413 0.557 10 0 DCAELO CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(Cc2ccon2)CC1 ZINC000173629081 416062345 /nfs/dbraw/zinc/06/23/45/416062345.db2.gz VPLLNYWGJJKBBA-NSHDSACASA-N 1 2 309.370 0.026 10 0 DCAELO COc1ncccc1CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173773520 416066257 /nfs/dbraw/zinc/06/62/57/416066257.db2.gz DHWCDYKEZUVFRZ-CQSZACIVSA-N 1 2 320.393 0.706 10 0 DCAELO CCOCCOCC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000173877882 416067499 /nfs/dbraw/zinc/06/74/99/416067499.db2.gz HKSVSBAAFXOQNP-UONOGXRCSA-N 1 2 300.399 0.219 10 0 DCAELO CN(C)c1ccnc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000173978241 416069459 /nfs/dbraw/zinc/06/94/59/416069459.db2.gz JGSHEGNRRJGNAU-CQSZACIVSA-N 1 2 304.394 0.694 10 0 DCAELO C[C@@H]1CCCN(C(=O)C[NH+]2CCN(c3cccnn3)CC2)C1 ZINC000170650020 416027518 /nfs/dbraw/zinc/02/75/18/416027518.db2.gz JYOCKGKXKRGJIE-CQSZACIVSA-N 1 2 303.410 0.857 10 0 DCAELO CC[C@@H](O)C[NH+]1CCN(C(=O)CSc2n[nH]c(C)n2)CC1 ZINC000174672058 416084375 /nfs/dbraw/zinc/08/43/75/416084375.db2.gz WHZMOQCBDDGRSI-LLVKDONJSA-N 1 2 313.427 0.120 10 0 DCAELO CC[C@@H](O)C[NH+]1CCN(C(=O)CSc2nnc(C)[nH]2)CC1 ZINC000174672058 416084378 /nfs/dbraw/zinc/08/43/78/416084378.db2.gz WHZMOQCBDDGRSI-LLVKDONJSA-N 1 2 313.427 0.120 10 0 DCAELO C[N@@H+]1CCO[C@H](C(=O)NC2CCN(c3ccccn3)CC2)C1 ZINC000174640450 416084424 /nfs/dbraw/zinc/08/44/24/416084424.db2.gz XQGWKFLYOBFHBB-AWEZNQCLSA-N 1 2 304.394 0.497 10 0 DCAELO C[N@H+]1CCO[C@H](C(=O)NC2CCN(c3ccccn3)CC2)C1 ZINC000174640450 416084428 /nfs/dbraw/zinc/08/44/28/416084428.db2.gz XQGWKFLYOBFHBB-AWEZNQCLSA-N 1 2 304.394 0.497 10 0 DCAELO Cc1noc(C)c1C[NH+]1CCN(c2cncc(C(N)=O)n2)CC1 ZINC000301537295 416085611 /nfs/dbraw/zinc/08/56/11/416085611.db2.gz UGPCKRQQTSUBPL-UHFFFAOYSA-N 1 2 316.365 0.503 10 0 DCAELO Cc1nc(SCC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)n[nH]1 ZINC000174869464 416088551 /nfs/dbraw/zinc/08/85/51/416088551.db2.gz UXPAUWBHCAKQPU-LLVKDONJSA-N 1 2 311.411 0.185 10 0 DCAELO Cc1nc(SCC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)n[nH]1 ZINC000174869464 416088554 /nfs/dbraw/zinc/08/85/54/416088554.db2.gz UXPAUWBHCAKQPU-LLVKDONJSA-N 1 2 311.411 0.185 10 0 DCAELO Cc1nnc(SCC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)[nH]1 ZINC000174869464 416088565 /nfs/dbraw/zinc/08/85/65/416088565.db2.gz UXPAUWBHCAKQPU-LLVKDONJSA-N 1 2 311.411 0.185 10 0 DCAELO Cc1nnc(SCC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)[nH]1 ZINC000174869464 416088566 /nfs/dbraw/zinc/08/85/66/416088566.db2.gz UXPAUWBHCAKQPU-LLVKDONJSA-N 1 2 311.411 0.185 10 0 DCAELO Cc1noc(-c2ccnc(NC[C@H]3C[NH+]4CCN3CC4)c2)n1 ZINC000301759498 416091846 /nfs/dbraw/zinc/09/18/46/416091846.db2.gz FNQGTUCPPIGESM-ZDUSSCGKSA-N 1 2 300.366 0.852 10 0 DCAELO Cc1noc(-c2ccnc(NC[C@H]3CN4CC[NH+]3CC4)c2)n1 ZINC000301759498 416091849 /nfs/dbraw/zinc/09/18/49/416091849.db2.gz FNQGTUCPPIGESM-ZDUSSCGKSA-N 1 2 300.366 0.852 10 0 DCAELO C[C@@H](CNC(=O)NC[C@@](C)(O)c1ccco1)[NH+]1CCOCC1 ZINC000175006874 416094076 /nfs/dbraw/zinc/09/40/76/416094076.db2.gz GVWRAAVLRWCEAZ-SWLSCSKDSA-N 1 2 311.382 0.507 10 0 DCAELO CCC[N@H+](CC(=O)NC)CC(=O)Nc1ccc2c(c1)OCO2 ZINC000357558371 416096067 /nfs/dbraw/zinc/09/60/67/416096067.db2.gz LIQJCNVTGQKULJ-UHFFFAOYSA-N 1 2 307.350 0.812 10 0 DCAELO CCC[N@@H+](CC(=O)NC)CC(=O)Nc1ccc2c(c1)OCO2 ZINC000357558371 416096071 /nfs/dbraw/zinc/09/60/71/416096071.db2.gz LIQJCNVTGQKULJ-UHFFFAOYSA-N 1 2 307.350 0.812 10 0 DCAELO Cc1cc(C(=O)NC[C@H](C)[NH+]2CCOCC2)c2cnn(C)c2n1 ZINC000175261097 416100907 /nfs/dbraw/zinc/10/09/07/416100907.db2.gz QXHJJPHSHKCGTE-LBPRGKRZSA-N 1 2 317.393 0.727 10 0 DCAELO NS(=O)(=O)CCC[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000178019282 416156221 /nfs/dbraw/zinc/15/62/21/416156221.db2.gz RVYFZFBEHCDFHP-ZDUSSCGKSA-N 1 2 300.380 0.444 10 0 DCAELO NS(=O)(=O)CCC[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000178019282 416156223 /nfs/dbraw/zinc/15/62/23/416156223.db2.gz RVYFZFBEHCDFHP-ZDUSSCGKSA-N 1 2 300.380 0.444 10 0 DCAELO CC(=O)N1CCC[C@H](C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)C1 ZINC000328903375 416139864 /nfs/dbraw/zinc/13/98/64/416139864.db2.gz HUQUFXKFMJYFNE-ZNMIVQPWSA-N 1 2 309.410 0.176 10 0 DCAELO CC(=O)N1CCC[C@H](C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)C1 ZINC000328903375 416139868 /nfs/dbraw/zinc/13/98/68/416139868.db2.gz HUQUFXKFMJYFNE-ZNMIVQPWSA-N 1 2 309.410 0.176 10 0 DCAELO Cc1cc(NC(=O)CN2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n(C)n1 ZINC000177257838 416143885 /nfs/dbraw/zinc/14/38/85/416143885.db2.gz YRQUDJGDJUTNIE-TZMCWYRMSA-N 1 2 321.425 0.320 10 0 DCAELO O=C(NCCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)C1CC1 ZINC000177356782 416144122 /nfs/dbraw/zinc/14/41/22/416144122.db2.gz AWIXJFQHCQEFRR-CYBMUJFWSA-N 1 2 305.382 0.583 10 0 DCAELO CO[C@H](C)c1nc(C)c(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)s1 ZINC000178732219 416171245 /nfs/dbraw/zinc/17/12/45/416171245.db2.gz CXZFVAVOSLIGJU-VXGBXAGGSA-N 1 2 324.450 0.889 10 0 DCAELO Cn1c(CN2CC[C@H]([NH+]3CCOCC3)C2)nnc1C1CCC1 ZINC000181386559 416206884 /nfs/dbraw/zinc/20/68/84/416206884.db2.gz WQWKVXUCJUCXFP-AWEZNQCLSA-N 1 2 305.426 0.989 10 0 DCAELO Cn1c(C[N@@H+]2CC[C@H](N3CCOCC3)C2)nnc1C1CCC1 ZINC000181386559 416206887 /nfs/dbraw/zinc/20/68/87/416206887.db2.gz WQWKVXUCJUCXFP-AWEZNQCLSA-N 1 2 305.426 0.989 10 0 DCAELO Cn1c(C[N@H+]2CC[C@H](N3CCOCC3)C2)nnc1C1CCC1 ZINC000181386559 416206892 /nfs/dbraw/zinc/20/68/92/416206892.db2.gz WQWKVXUCJUCXFP-AWEZNQCLSA-N 1 2 305.426 0.989 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3cnn(-c4cccnc4)c3)C[C@@H]21 ZINC000352198649 416305141 /nfs/dbraw/zinc/30/51/41/416305141.db2.gz YFCSGMKBLQGZOP-LSDHHAIUSA-N 1 2 313.361 0.422 10 0 DCAELO C[N@H+]1CCO[C@@H]2CN(C(=O)c3cnn(-c4cccnc4)c3)C[C@@H]21 ZINC000352198649 416305142 /nfs/dbraw/zinc/30/51/42/416305142.db2.gz YFCSGMKBLQGZOP-LSDHHAIUSA-N 1 2 313.361 0.422 10 0 DCAELO CC(C)Cn1cc[nH+]c1CNC(=O)N(C[C@H](C)O)[C@H](C)CO ZINC000190598119 416281901 /nfs/dbraw/zinc/28/19/01/416281901.db2.gz YBBVONJONKWQTB-OLZOCXBDSA-N 1 2 312.414 0.812 10 0 DCAELO COC(=O)[C@H]([NH2+]CCNC(=O)c1ccc(OC)cc1)C1CC1 ZINC000358841308 416282894 /nfs/dbraw/zinc/28/28/94/416282894.db2.gz VCBPIZFCBZMFIY-CQSZACIVSA-N 1 2 306.362 0.966 10 0 DCAELO COC(=O)[C@@H](C1CC1)N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000359579093 416351509 /nfs/dbraw/zinc/35/15/09/416351509.db2.gz DPOVPPGNCZYYAL-MRXNPFEDSA-N 1 2 323.437 0.568 10 0 DCAELO CN1CC[C@H](C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)CC1=O ZINC000194658298 416324204 /nfs/dbraw/zinc/32/42/04/416324204.db2.gz ZXCSZGKPUFQHRE-ZDUSSCGKSA-N 1 2 313.361 0.752 10 0 DCAELO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1c[nH]c2c(cnn2C)c1=O ZINC000245609924 416331311 /nfs/dbraw/zinc/33/13/11/416331311.db2.gz NQVVPYQZKMHIBI-MNOVXSKESA-N 1 2 315.377 0.983 10 0 DCAELO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1c[nH]c2c(cnn2C)c1=O ZINC000245609924 416331312 /nfs/dbraw/zinc/33/13/12/416331312.db2.gz NQVVPYQZKMHIBI-MNOVXSKESA-N 1 2 315.377 0.983 10 0 DCAELO O=C(C[N@H+]1CCSC[C@@H]1CCO)NC(=O)NC1CCCC1 ZINC000533019937 416469402 /nfs/dbraw/zinc/46/94/02/416469402.db2.gz LEKDBPYLLHTFJU-LBPRGKRZSA-N 1 2 315.439 0.555 10 0 DCAELO O=C(C[N@@H+]1CCSC[C@@H]1CCO)NC(=O)NC1CCCC1 ZINC000533019937 416469409 /nfs/dbraw/zinc/46/94/09/416469409.db2.gz LEKDBPYLLHTFJU-LBPRGKRZSA-N 1 2 315.439 0.555 10 0 DCAELO NS(=O)(=O)CCC[N@@H+]1CCO[C@H](COc2ccccc2)C1 ZINC000361987819 416540595 /nfs/dbraw/zinc/54/05/95/416540595.db2.gz UMLPOEFQTZZRSE-AWEZNQCLSA-N 1 2 314.407 0.445 10 0 DCAELO NS(=O)(=O)CCC[N@H+]1CCO[C@H](COc2ccccc2)C1 ZINC000361987819 416540599 /nfs/dbraw/zinc/54/05/99/416540599.db2.gz UMLPOEFQTZZRSE-AWEZNQCLSA-N 1 2 314.407 0.445 10 0 DCAELO COc1cccc(CCNC(=O)N[C@H](C)C[NH+]2CCOCC2)n1 ZINC000441233739 416666427 /nfs/dbraw/zinc/66/64/27/416666427.db2.gz NKEQGRYIASOEDI-CYBMUJFWSA-N 1 2 322.409 0.653 10 0 DCAELO COc1cccc(CCNC(=O)NC[C@H](C)[NH+]2CCOCC2)n1 ZINC000441263241 416667248 /nfs/dbraw/zinc/66/72/48/416667248.db2.gz QMHMBRXWBIEFGB-ZDUSSCGKSA-N 1 2 322.409 0.653 10 0 DCAELO CCOC[C@H](O)C[NH2+][C@@]1(C(=O)OC)C[C@H](OCC)C1(C)C ZINC000444766072 416870059 /nfs/dbraw/zinc/87/00/59/416870059.db2.gz KTORHTSXQZDHFS-TYNCELHUSA-N 1 2 303.399 0.720 10 0 DCAELO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CC(=O)NC(=O)NC1CC1 ZINC000615632671 416874820 /nfs/dbraw/zinc/87/48/20/416874820.db2.gz VKPFOZYPGHNGJJ-CDMKHQONSA-N 1 2 309.366 0.248 10 0 DCAELO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CC(=O)NC(=O)NC1CC1 ZINC000615632671 416874826 /nfs/dbraw/zinc/87/48/26/416874826.db2.gz VKPFOZYPGHNGJJ-CDMKHQONSA-N 1 2 309.366 0.248 10 0 DCAELO C[C@@H](CNC(=O)N1CCC[C@H](c2nnc[nH]2)C1)[NH+]1CCOCC1 ZINC000370118016 416883229 /nfs/dbraw/zinc/88/32/29/416883229.db2.gz ZJLCESLEHQOOGG-STQMWFEESA-N 1 2 322.413 0.414 10 0 DCAELO Nc1nc(C2CC2)ncc1C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000376733294 417037827 /nfs/dbraw/zinc/03/78/27/417037827.db2.gz HWMYEQDOHSHJRC-LBPRGKRZSA-N 1 2 317.393 0.529 10 0 DCAELO Nc1nc(C2CC2)ncc1C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000376733294 417037835 /nfs/dbraw/zinc/03/78/35/417037835.db2.gz HWMYEQDOHSHJRC-LBPRGKRZSA-N 1 2 317.393 0.529 10 0 DCAELO O=C(NCc1nnc2ccccn21)c1ccc(-n2cc[nH+]c2)nn1 ZINC000523511790 417085882 /nfs/dbraw/zinc/08/58/82/417085882.db2.gz XCQWFMLGHVVBFI-UHFFFAOYSA-N 1 2 320.316 0.635 10 0 DCAELO COc1cc(C(=O)N[C@@H](c2[nH+]ccn2C)C(C)(C)CO)on1 ZINC000616864410 417123399 /nfs/dbraw/zinc/12/33/99/417123399.db2.gz BZVAYTDWNTXSMC-NSHDSACASA-N 1 2 308.338 0.906 10 0 DCAELO Cc1c(Cl)cccc1S(=O)(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000632577902 417178840 /nfs/dbraw/zinc/17/88/40/417178840.db2.gz ZUCDWQHAGGOSCK-NSHDSACASA-N 1 2 318.826 0.945 10 0 DCAELO Cc1c(Cl)cccc1S(=O)(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000632577902 417178842 /nfs/dbraw/zinc/17/88/42/417178842.db2.gz ZUCDWQHAGGOSCK-NSHDSACASA-N 1 2 318.826 0.945 10 0 DCAELO Cc1[nH+]c2ccc(C(=O)N3CC[C@@H](NC(N)=O)C3)cc2n1C ZINC000527002783 417201204 /nfs/dbraw/zinc/20/12/04/417201204.db2.gz KAVGDGSQANLMTH-LLVKDONJSA-N 1 2 301.350 0.765 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)NCCCC(=O)NC3CC3)C[C@H]21 ZINC000569267973 417233613 /nfs/dbraw/zinc/23/36/13/417233613.db2.gz QXBGSDFGFTUDDH-KGLIPLIRSA-N 1 2 324.425 0.160 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)NCCCC(=O)NC3CC3)C[C@H]21 ZINC000569267973 417233616 /nfs/dbraw/zinc/23/36/16/417233616.db2.gz QXBGSDFGFTUDDH-KGLIPLIRSA-N 1 2 324.425 0.160 10 0 DCAELO CC(=O)NCC[N@@H+](CC[C@@H](C)O)[C@@H](C)C(=O)OC(C)(C)C ZINC000450716270 417260566 /nfs/dbraw/zinc/26/05/66/417260566.db2.gz YCHSGJGOEQOBGN-NEPJUHHUSA-N 1 2 302.415 0.926 10 0 DCAELO CC(=O)NCC[N@H+](CC[C@@H](C)O)[C@@H](C)C(=O)OC(C)(C)C ZINC000450716270 417260575 /nfs/dbraw/zinc/26/05/75/417260575.db2.gz YCHSGJGOEQOBGN-NEPJUHHUSA-N 1 2 302.415 0.926 10 0 DCAELO CCOC(=O)[C@@H]1C[N@H+](CC(=O)c2cccn2C)CC12COC2 ZINC000451128483 417302439 /nfs/dbraw/zinc/30/24/39/417302439.db2.gz BLVZIWCDUGZTAE-LBPRGKRZSA-N 1 2 306.362 0.719 10 0 DCAELO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)c2cccn2C)CC12COC2 ZINC000451128483 417302444 /nfs/dbraw/zinc/30/24/44/417302444.db2.gz BLVZIWCDUGZTAE-LBPRGKRZSA-N 1 2 306.362 0.719 10 0 DCAELO CCOC(=O)[C@H]1C[N@H+](Cc2nnnn2C2CC2)CC12COC2 ZINC000451125733 417302513 /nfs/dbraw/zinc/30/25/13/417302513.db2.gz NZSLOUKMUJURQP-LLVKDONJSA-N 1 2 307.354 0.020 10 0 DCAELO CCOC(=O)[C@H]1C[N@@H+](Cc2nnnn2C2CC2)CC12COC2 ZINC000451125733 417302518 /nfs/dbraw/zinc/30/25/18/417302518.db2.gz NZSLOUKMUJURQP-LLVKDONJSA-N 1 2 307.354 0.020 10 0 DCAELO CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(S(=O)(=O)c2ccnn2C)C1 ZINC000643718802 417319159 /nfs/dbraw/zinc/31/91/59/417319159.db2.gz HURHIBKGDAEMGF-ZJUUUORDSA-N 1 2 311.367 0.294 10 0 DCAELO COC(=O)c1cnc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)nc1 ZINC000576950048 417650427 /nfs/dbraw/zinc/65/04/27/417650427.db2.gz BONCSUZRBUDHLE-DGCLKSJQSA-N 1 2 306.366 0.420 10 0 DCAELO CCOC(=O)[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC12COC2 ZINC000452610083 287482329 /nfs/dbraw/zinc/48/23/29/287482329.db2.gz DFLIRJMPAPJJCY-LLVKDONJSA-N 1 2 307.350 0.299 10 0 DCAELO COc1cc(N2CC[NH+](CCOCC(F)F)CC2)ncn1 ZINC000189977220 261133920 /nfs/dbraw/zinc/13/39/20/261133920.db2.gz CHYGIVFVJPABGB-UHFFFAOYSA-N 1 2 302.325 0.889 10 0 DCAELO Cc1nn(C)c(C)c1C(=O)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000193204710 261140569 /nfs/dbraw/zinc/14/05/69/261140569.db2.gz ZAWOYAHYVVCTLE-UHFFFAOYSA-N 1 2 315.377 0.997 10 0 DCAELO Cc1cc(COCC(=O)NCC(C)(C)[NH+]2CCOCC2)on1 ZINC000193266430 261141550 /nfs/dbraw/zinc/14/15/50/261141550.db2.gz XJKUWWSUDCVTJF-UHFFFAOYSA-N 1 2 311.382 0.727 10 0 DCAELO CCOC(=O)[C@H]1C[N@H+](CC(=O)c2cccn2C)CC12COC2 ZINC000451128469 271890123 /nfs/dbraw/zinc/89/01/23/271890123.db2.gz BLVZIWCDUGZTAE-GFCCVEGCSA-N 1 2 306.362 0.719 10 0 DCAELO CCOC(=O)[C@H]1C[N@@H+](CC(=O)c2cccn2C)CC12COC2 ZINC000451128469 271890124 /nfs/dbraw/zinc/89/01/24/271890124.db2.gz BLVZIWCDUGZTAE-GFCCVEGCSA-N 1 2 306.362 0.719 10 0 DCAELO CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1cc[nH+]cc1C ZINC000488579336 272046418 /nfs/dbraw/zinc/04/64/18/272046418.db2.gz IHOGYZKUDHHLGM-GHMZBOCLSA-N 1 2 322.365 0.390 10 0 DCAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C1(O)CCOCC1)C2 ZINC000408314237 278073923 /nfs/dbraw/zinc/07/39/23/278073923.db2.gz RWLLOAQONPXHTL-UHFFFAOYSA-N 1 2 307.394 0.970 10 0 DCAELO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000551885385 288240498 /nfs/dbraw/zinc/24/04/98/288240498.db2.gz SIDILOFRRMFPAD-QWHCGFSZSA-N 1 2 320.393 0.984 10 0 DCAELO CC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000551885385 288240500 /nfs/dbraw/zinc/24/05/00/288240500.db2.gz SIDILOFRRMFPAD-QWHCGFSZSA-N 1 2 320.393 0.984 10 0 DCAELO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1CCc2nncn2C1 ZINC000329101085 289047267 /nfs/dbraw/zinc/04/72/67/289047267.db2.gz DWTQTIARIAKPEC-HZSPNIEDSA-N 1 2 319.409 0.162 10 0 DCAELO COc1ccc(O)cc1C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000408028351 295169344 /nfs/dbraw/zinc/16/93/44/295169344.db2.gz DAGZTVOEZWLRLW-HIFRSBDPSA-N 1 2 306.362 0.946 10 0 DCAELO COc1ccc(O)cc1C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000408028351 295169345 /nfs/dbraw/zinc/16/93/45/295169345.db2.gz DAGZTVOEZWLRLW-HIFRSBDPSA-N 1 2 306.362 0.946 10 0 DCAELO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+]2CCC[C@H]2CS(N)(=O)=O)C1 ZINC000408167089 297223156 /nfs/dbraw/zinc/22/31/56/297223156.db2.gz BVXUAJNFAZJWST-UPJWGTAASA-N 1 2 317.455 0.244 10 0 DCAELO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+]2CCC[C@H]2CS(N)(=O)=O)C1 ZINC000408167089 297223158 /nfs/dbraw/zinc/22/31/58/297223158.db2.gz BVXUAJNFAZJWST-UPJWGTAASA-N 1 2 317.455 0.244 10 0 DCAELO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1S(=O)(=O)[C@H]1CCO[C@H]1C ZINC000329408285 297809022 /nfs/dbraw/zinc/80/90/22/297809022.db2.gz DDXQVZAPUYZASA-RQJABVFESA-N 1 2 318.439 0.289 10 0 DCAELO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000408189764 298122137 /nfs/dbraw/zinc/12/21/37/298122137.db2.gz PTVZQTKLMUIBRP-PELKAZGASA-N 1 2 323.315 0.752 10 0 DCAELO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000408189764 298122141 /nfs/dbraw/zinc/12/21/41/298122141.db2.gz PTVZQTKLMUIBRP-PELKAZGASA-N 1 2 323.315 0.752 10 0 DCAELO Cc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1 ZINC000187129393 534171357 /nfs/dbraw/zinc/17/13/57/534171357.db2.gz PHTUOJBOYSSGGV-CYBMUJFWSA-N 1 2 305.378 0.459 10 0 DCAELO Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1 ZINC000187129393 534171362 /nfs/dbraw/zinc/17/13/62/534171362.db2.gz PHTUOJBOYSSGGV-CYBMUJFWSA-N 1 2 305.378 0.459 10 0 DCAELO CC(=O)c1cccc(OC[C@@H](O)C[N@@H+]2CCCNC(=O)[C@H]2C)c1 ZINC000189290445 518452902 /nfs/dbraw/zinc/45/29/02/518452902.db2.gz KNFNSIBZHOGUIQ-DOMZBBRYSA-N 1 2 320.389 0.839 10 0 DCAELO CC(=O)c1cccc(OC[C@@H](O)C[N@H+]2CCCNC(=O)[C@H]2C)c1 ZINC000189290445 518452908 /nfs/dbraw/zinc/45/29/08/518452908.db2.gz KNFNSIBZHOGUIQ-DOMZBBRYSA-N 1 2 320.389 0.839 10 0 DCAELO CC(=O)NCC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000127203755 519653362 /nfs/dbraw/zinc/65/33/62/519653362.db2.gz IEQIMBSOHWEDTL-DZGCQCFKSA-N 1 2 311.332 0.962 10 0 DCAELO CC(=O)NCC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000127203755 519653363 /nfs/dbraw/zinc/65/33/63/519653363.db2.gz IEQIMBSOHWEDTL-DZGCQCFKSA-N 1 2 311.332 0.962 10 0 DCAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@H]1CCN(C)C1=O)C2 ZINC000163832422 519869155 /nfs/dbraw/zinc/86/91/55/519869155.db2.gz DVALXBHNGAWCIP-NSHDSACASA-N 1 2 319.409 0.842 10 0 DCAELO CCc1cnc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)s1 ZINC000190423337 522044416 /nfs/dbraw/zinc/04/44/16/522044416.db2.gz NMXVUUGXJZVONB-UHFFFAOYSA-N 1 2 308.407 0.951 10 0 DCAELO COCc1cccc(CC(=O)NC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000188175131 523035559 /nfs/dbraw/zinc/03/55/59/523035559.db2.gz VCNPWVXAAROGLW-MRXNPFEDSA-N 1 2 322.405 0.185 10 0 DCAELO COc1ccc(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)cn1 ZINC000266134630 523673957 /nfs/dbraw/zinc/67/39/57/523673957.db2.gz DRMGOTXKQDKOJC-GXTWGEPZSA-N 1 2 305.378 0.883 10 0 DCAELO C[C@H](CNC(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC000247329774 524423289 /nfs/dbraw/zinc/42/32/89/524423289.db2.gz JBOKRPHOCHNKCS-JHJVBQTASA-N 1 2 312.414 0.050 10 0 DCAELO Cc1cccc(C[C@H](CO)NC(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000188045432 524468998 /nfs/dbraw/zinc/46/89/98/524468998.db2.gz GJTNGNPOYDNPQI-HZPDHXFCSA-N 1 2 321.421 0.528 10 0 DCAELO Cc1cccc(C[C@H](CO)NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000188045432 524469004 /nfs/dbraw/zinc/46/90/04/524469004.db2.gz GJTNGNPOYDNPQI-HZPDHXFCSA-N 1 2 321.421 0.528 10 0 DCAELO Cc1ncccc1C[NH+]1CCN(CC(=O)N2CCOCC2)CC1 ZINC000119977742 527359191 /nfs/dbraw/zinc/35/91/91/527359191.db2.gz BNMBVIGPMHTNKM-UHFFFAOYSA-N 1 2 318.421 0.366 10 0 DCAELO O=C(NC1C[NH+](C[C@H](O)COc2ccccc2F)C1)C1CC1 ZINC000187979131 527543641 /nfs/dbraw/zinc/54/36/41/527543641.db2.gz RPSJOTJEQOGWAW-ZDUSSCGKSA-N 1 2 308.353 0.776 10 0 DCAELO CCc1cc(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)oc1CC ZINC000132371093 545793464 /nfs/dbraw/zinc/79/34/64/545793464.db2.gz YKYGUDVFNNQSJB-CYBMUJFWSA-N 1 2 310.394 0.827 10 0 DCAELO C[C@@H]1CC[C@H](CCC(=O)NC[C@H](O)C[NH+]2CCOCC2)O1 ZINC000133131588 545797350 /nfs/dbraw/zinc/79/73/50/545797350.db2.gz QEGAMNILBPMPBQ-HZSPNIEDSA-N 1 2 300.399 0.143 10 0 DCAELO CN(C)c1[nH+]cccc1CNC(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000177396529 545891091 /nfs/dbraw/zinc/89/10/91/545891091.db2.gz RFDSGDWRIVCNGT-GFCCVEGCSA-N 1 2 317.393 0.710 10 0 DCAELO [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000004533516 571686323 /nfs/dbraw/zinc/68/63/23/571686323.db2.gz XMAUFHMAAVTODF-OLZOCXBDSA-N 1 2 302.334 0.092 10 0 endogenous,in-man DCAELO COCC[N@@H+]1CC[C@H](N[C@H]2CON(C(=O)OC(C)(C)C)C2)C1 ZINC000722503557 661283327 /nfs/dbraw/zinc/28/33/27/661283327.db2.gz WCUCOQZZPYHUIG-QWHCGFSZSA-N 1 2 315.414 0.848 10 0 DCAELO COCC[N@H+]1CC[C@H](N[C@H]2CON(C(=O)OC(C)(C)C)C2)C1 ZINC000722503557 661283329 /nfs/dbraw/zinc/28/33/29/661283329.db2.gz WCUCOQZZPYHUIG-QWHCGFSZSA-N 1 2 315.414 0.848 10 0 DCAELO C#CCNC(=O)C[NH+](CCC1CCCC1)CC(=O)NCC#C ZINC000031475949 663588041 /nfs/dbraw/zinc/58/80/41/663588041.db2.gz TVWVIXGQJTZEMV-UHFFFAOYSA-N 1 2 303.406 0.368 10 0 DCAELO O=C(C[N@@H+]1CCCC2(C1)OCCO2)N1CCO[C@@H]2CCCC[C@H]21 ZINC000136148606 667696989 /nfs/dbraw/zinc/69/69/89/667696989.db2.gz GTPAMBFNVPVAPG-HUUCEWRRSA-N 1 2 324.421 0.995 10 0 DCAELO O=C(C[N@H+]1CCCC2(C1)OCCO2)N1CCO[C@@H]2CCCC[C@H]21 ZINC000136148606 667696993 /nfs/dbraw/zinc/69/69/93/667696993.db2.gz GTPAMBFNVPVAPG-HUUCEWRRSA-N 1 2 324.421 0.995 10 0 DCAELO Cc1cc(C(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2c[nH+]cn2C)[nH]n1 ZINC000886027673 667725273 /nfs/dbraw/zinc/72/52/73/667725273.db2.gz AHHXYZUUSYULKQ-QMTHXVAHSA-N 1 2 316.365 0.544 10 0 DCAELO Cc1cc(C[NH+]2CCN([C@]3(C(N)=O)CCOC3)CC2)ccc1F ZINC000886026659 667725408 /nfs/dbraw/zinc/72/54/08/667725408.db2.gz CDYXBUKRQPRMCK-QGZVFWFLSA-N 1 2 321.396 0.896 10 0 DCAELO C[C@@H]1C[N@H+](C)C[C@H](c2nc(-c3cnc(N(C)C)cn3)no2)O1 ZINC000886078223 667729437 /nfs/dbraw/zinc/72/94/37/667729437.db2.gz RBUGYLSELRTPGX-MWLCHTKSSA-N 1 2 304.354 0.984 10 0 DCAELO C[C@@H]1C[N@@H+](C)C[C@H](c2nc(-c3cnc(N(C)C)cn3)no2)O1 ZINC000886078223 667729439 /nfs/dbraw/zinc/72/94/39/667729439.db2.gz RBUGYLSELRTPGX-MWLCHTKSSA-N 1 2 304.354 0.984 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)c2c[nH]nc2C2CCOCC2)C1 ZINC000886082236 667730000 /nfs/dbraw/zinc/73/00/00/667730000.db2.gz NZRXVJHKQQIRIP-GFCCVEGCSA-N 1 2 308.382 0.364 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)c2c[nH]nc2C2CCOCC2)C1 ZINC000886082236 667730003 /nfs/dbraw/zinc/73/00/03/667730003.db2.gz NZRXVJHKQQIRIP-GFCCVEGCSA-N 1 2 308.382 0.364 10 0 DCAELO Cc1ccc(OC[C@@H](O)C[N@H+](C)CCS(C)(=O)=O)cc1 ZINC000076306536 670120022 /nfs/dbraw/zinc/12/00/22/670120022.db2.gz XAWOKWSMGMVBFD-ZDUSSCGKSA-N 1 2 301.408 0.711 10 0 DCAELO Cc1ccc(OC[C@@H](O)C[N@@H+](C)CCS(C)(=O)=O)cc1 ZINC000076306536 670120024 /nfs/dbraw/zinc/12/00/24/670120024.db2.gz XAWOKWSMGMVBFD-ZDUSSCGKSA-N 1 2 301.408 0.711 10 0 DCAELO CC(=O)N[C@@H](C)C(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105816852 672235634 /nfs/dbraw/zinc/23/56/34/672235634.db2.gz NNYHYDMMJKMYJI-BBRMVZONSA-N 1 2 319.405 0.389 10 0 DCAELO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000245705739 770781400 /nfs/dbraw/zinc/78/14/00/770781400.db2.gz XNNSIBXFGDRRRA-PVAVHDDUSA-N 1 2 318.417 0.908 10 0 DCAELO CS(=O)(=O)N[C@H]1CCC[N@H+](CC(=O)NC2CCCCC2)C1 ZINC000076949759 185060499 /nfs/dbraw/zinc/06/04/99/185060499.db2.gz CLWHKZPPDJTHBE-ZDUSSCGKSA-N 1 2 317.455 0.449 10 0 DCAELO CS(=O)(=O)N[C@H]1CCC[N@@H+](CC(=O)NC2CCCCC2)C1 ZINC000076949759 185060501 /nfs/dbraw/zinc/06/05/01/185060501.db2.gz CLWHKZPPDJTHBE-ZDUSSCGKSA-N 1 2 317.455 0.449 10 0 DCAELO NC(=O)c1cccc(S(=O)(=O)N2CC[NH+](CC3CC3)CC2)c1 ZINC000097000832 185396135 /nfs/dbraw/zinc/39/61/35/185396135.db2.gz YIWDFDLTUYALQU-UHFFFAOYSA-N 1 2 323.418 0.502 10 0 DCAELO C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)CCc2nnc[nH]2)C1 ZINC000328644112 529782751 /nfs/dbraw/zinc/78/27/51/529782751.db2.gz RSDOMXSJPNDCSR-CYBMUJFWSA-N 1 2 307.398 0.307 10 0 DCAELO C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)CCc2nnc[nH]2)C1 ZINC000328644112 529782752 /nfs/dbraw/zinc/78/27/52/529782752.db2.gz RSDOMXSJPNDCSR-CYBMUJFWSA-N 1 2 307.398 0.307 10 0 DCAELO C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)CCc2nc[nH]n2)C1 ZINC000328644112 529782754 /nfs/dbraw/zinc/78/27/54/529782754.db2.gz RSDOMXSJPNDCSR-CYBMUJFWSA-N 1 2 307.398 0.307 10 0 DCAELO C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)CCc2nc[nH]n2)C1 ZINC000328644112 529782755 /nfs/dbraw/zinc/78/27/55/529782755.db2.gz RSDOMXSJPNDCSR-CYBMUJFWSA-N 1 2 307.398 0.307 10 0 DCAELO CNC(=O)[C@@H]1CCCN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000154957323 529902412 /nfs/dbraw/zinc/90/24/12/529902412.db2.gz GFTVFVWXIFDOIC-LBPRGKRZSA-N 1 2 312.414 0.017 10 0 DCAELO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)c1ccnc(S(C)(=O)=O)n1 ZINC000408357425 290806777 /nfs/dbraw/zinc/80/67/77/290806777.db2.gz WOOJZEYDYHAYMS-UWVGGRQHSA-N 1 2 312.395 0.045 10 0 DCAELO Cc1cccc2c1N(C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCO1)CC2 ZINC000172308428 198077312 /nfs/dbraw/zinc/07/73/12/198077312.db2.gz XKULZMMPDPMVMI-CQSZACIVSA-N 1 2 317.389 0.331 10 0 DCAELO Cc1cccc2c1N(C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCO1)CC2 ZINC000172308428 198077314 /nfs/dbraw/zinc/07/73/14/198077314.db2.gz XKULZMMPDPMVMI-CQSZACIVSA-N 1 2 317.389 0.331 10 0 DCAELO CCNS(=O)(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000172457148 198098992 /nfs/dbraw/zinc/09/89/92/198098992.db2.gz UNRSZPQUUBWDJI-UHFFFAOYSA-N 1 2 304.441 0.423 10 0 DCAELO C[C@@H](NC(=O)CNC(=O)c1ccccn1)[C@H](C)[NH+]1CCOCC1 ZINC000172541603 198112702 /nfs/dbraw/zinc/11/27/02/198112702.db2.gz KCCUMGDHIUNHPL-OLZOCXBDSA-N 1 2 320.393 0.037 10 0 DCAELO C[C@H](C(=O)NCC(F)(F)F)[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000072554089 191192329 /nfs/dbraw/zinc/19/23/29/191192329.db2.gz WKPSCJFKPPJFQK-SECBINFHSA-N 1 2 309.332 0.854 10 0 DCAELO C[N@H+](CCS(C)(=O)=O)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000172777819 198148895 /nfs/dbraw/zinc/14/88/95/198148895.db2.gz QDOXDOURXKOEGB-ZDUSSCGKSA-N 1 2 312.391 0.988 10 0 DCAELO C[N@@H+](CCS(C)(=O)=O)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000172777819 198148896 /nfs/dbraw/zinc/14/88/96/198148896.db2.gz QDOXDOURXKOEGB-ZDUSSCGKSA-N 1 2 312.391 0.988 10 0 DCAELO Cc1nc(CNC(=O)N2CCN(c3cccc[nH+]3)CC2)no1 ZINC000173564161 198228140 /nfs/dbraw/zinc/22/81/40/198228140.db2.gz ZZLURBGQVZDGTQ-UHFFFAOYSA-N 1 2 302.338 0.805 10 0 DCAELO CCOCCNC(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000173720040 198244202 /nfs/dbraw/zinc/24/42/02/198244202.db2.gz ODEMYSVYTROAKT-LBPRGKRZSA-N 1 2 322.413 0.823 10 0 DCAELO CCOCCNC(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000173720040 198244204 /nfs/dbraw/zinc/24/42/04/198244204.db2.gz ODEMYSVYTROAKT-LBPRGKRZSA-N 1 2 322.413 0.823 10 0 DCAELO CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+](C)[C@H](C)c2cnn(C)c2)C1 ZINC000180401264 199154363 /nfs/dbraw/zinc/15/43/63/199154363.db2.gz ZIKBRTLHEXVGFL-DOMZBBRYSA-N 1 2 321.425 0.540 10 0 DCAELO CC(=O)N[C@H]1CCCN(C(=O)C[N@H+](C)[C@H](C)c2cnn(C)c2)C1 ZINC000180401264 199154365 /nfs/dbraw/zinc/15/43/65/199154365.db2.gz ZIKBRTLHEXVGFL-DOMZBBRYSA-N 1 2 321.425 0.540 10 0 DCAELO C[C@H]1CN(C(=O)c2nc3ccccc3c(=O)[nH]2)CC[N@@H+]1CCO ZINC000187128026 237338456 /nfs/dbraw/zinc/33/84/56/237338456.db2.gz ZNHHXDROALOQSU-NSHDSACASA-N 1 2 316.361 0.062 10 0 DCAELO C[C@H]1CN(C(=O)c2nc3ccccc3c(=O)[nH]2)CC[N@H+]1CCO ZINC000187128026 237338463 /nfs/dbraw/zinc/33/84/63/237338463.db2.gz ZNHHXDROALOQSU-NSHDSACASA-N 1 2 316.361 0.062 10 0 DCAELO CC[C@H]1C[N@H+](CC(=O)N2CCOCC2)CCN1CC(F)F ZINC000153623132 291207836 /nfs/dbraw/zinc/20/78/36/291207836.db2.gz ZIJPCXKGBVJAPB-LBPRGKRZSA-N 1 2 305.369 0.507 10 0 DCAELO CC[C@H]1C[N@@H+](CC(=O)N2CCOCC2)CCN1CC(F)F ZINC000153623132 291207837 /nfs/dbraw/zinc/20/78/37/291207837.db2.gz ZIJPCXKGBVJAPB-LBPRGKRZSA-N 1 2 305.369 0.507 10 0 DCAELO C[C@H]1CN(S(=O)(=O)c2cc(F)cc(F)c2)CC[N@@H+]1CCO ZINC000188721130 200293947 /nfs/dbraw/zinc/29/39/47/200293947.db2.gz OXENEZPRRJHOIY-JTQLQIEISA-N 1 2 320.361 0.652 10 0 DCAELO C[C@H]1CN(S(=O)(=O)c2cc(F)cc(F)c2)CC[N@H+]1CCO ZINC000188721130 200293949 /nfs/dbraw/zinc/29/39/49/200293949.db2.gz OXENEZPRRJHOIY-JTQLQIEISA-N 1 2 320.361 0.652 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2)CC[N@@H+]1CCO ZINC000188730488 200295255 /nfs/dbraw/zinc/29/52/55/200295255.db2.gz QXZXQOQLFQRUIY-LLVKDONJSA-N 1 2 302.371 0.513 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2)CC[N@H+]1CCO ZINC000188730488 200295256 /nfs/dbraw/zinc/29/52/56/200295256.db2.gz QXZXQOQLFQRUIY-LLVKDONJSA-N 1 2 302.371 0.513 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)Cc2ccc(F)cc2)CC[N@@H+]1CCO ZINC000188726828 200295689 /nfs/dbraw/zinc/29/56/89/200295689.db2.gz KFZJIDJBLGWTSL-GFCCVEGCSA-N 1 2 316.398 0.654 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)Cc2ccc(F)cc2)CC[N@H+]1CCO ZINC000188726828 200295690 /nfs/dbraw/zinc/29/56/90/200295690.db2.gz KFZJIDJBLGWTSL-GFCCVEGCSA-N 1 2 316.398 0.654 10 0 DCAELO COc1ccccc1S(=O)(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000188730653 200296209 /nfs/dbraw/zinc/29/62/09/200296209.db2.gz ICIUJRXDHJRSNL-LBPRGKRZSA-N 1 2 314.407 0.382 10 0 DCAELO COc1ccccc1S(=O)(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000188730653 200296210 /nfs/dbraw/zinc/29/62/10/200296210.db2.gz ICIUJRXDHJRSNL-LBPRGKRZSA-N 1 2 314.407 0.382 10 0 DCAELO COc1ccc2c(c1)ncn(C[C@@H](O)C[NH+]1CCOCC1)c2=O ZINC000156807624 291225776 /nfs/dbraw/zinc/22/57/76/291225776.db2.gz QAGSMNMQLWPHQI-LBPRGKRZSA-N 1 2 319.361 0.098 10 0 DCAELO Cn1ccnc1[C@@H]1CN(C(=O)NCCn2cc[nH+]c2)CCN1C ZINC000276219131 238318224 /nfs/dbraw/zinc/31/82/24/238318224.db2.gz JEUIFGUXZBZDQC-ZDUSSCGKSA-N 1 2 317.397 0.315 10 0 DCAELO Cn1cc(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)c(C(C)(C)C)n1 ZINC000092237394 193177985 /nfs/dbraw/zinc/17/79/85/193177985.db2.gz FJLHHVAZVWEUGD-GFCCVEGCSA-N 1 2 324.425 0.141 10 0 DCAELO CCc1nn(C)c(Cl)c1CN1CC[NH+](CC(=O)NC)CC1 ZINC000105917886 194169967 /nfs/dbraw/zinc/16/99/67/194169967.db2.gz RRGAVCRUGQRQLL-UHFFFAOYSA-N 1 2 313.833 0.500 10 0 DCAELO C[C@H](O)[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CCO1 ZINC000334042142 252787357 /nfs/dbraw/zinc/78/73/57/252787357.db2.gz ORHCCYPFXXZYHQ-QEJZJMRPSA-N 1 2 312.410 0.096 10 0 DCAELO C[C@H](O)[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CCO1 ZINC000334042142 252787358 /nfs/dbraw/zinc/78/73/58/252787358.db2.gz ORHCCYPFXXZYHQ-QEJZJMRPSA-N 1 2 312.410 0.096 10 0 DCAELO CN(C)C(=O)CN1CCO[C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@@H]21 ZINC000248001848 257111767 /nfs/dbraw/zinc/11/17/67/257111767.db2.gz NWYJYKSWBXTGSL-JKSUJKDBSA-N 1 2 321.396 0.799 10 0 DCAELO CN(C)C(=O)CN1CCO[C@@H]2C[N@@H+](Cc3cccc(F)c3)C[C@@H]21 ZINC000248001848 257111768 /nfs/dbraw/zinc/11/17/68/257111768.db2.gz NWYJYKSWBXTGSL-JKSUJKDBSA-N 1 2 321.396 0.799 10 0 DCAELO C[C@@H]1CN(C(=O)NCc2ccn3cc[nH+]c3c2)CC(=O)N1C ZINC000283799736 131024583 /nfs/dbraw/zinc/02/45/83/131024583.db2.gz NNBZDLQFNWHWJP-LLVKDONJSA-N 1 2 301.350 0.706 10 0 DCAELO COc1cnc(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)nc1 ZINC000283855882 131030088 /nfs/dbraw/zinc/03/00/88/131030088.db2.gz HUXOUQFVGXMISK-LBPRGKRZSA-N 1 2 321.381 0.814 10 0 DCAELO CN(C)S(=O)(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000285207036 131147450 /nfs/dbraw/zinc/14/74/50/131147450.db2.gz WWTRBWHJCSGJMA-NSHDSACASA-N 1 2 302.400 0.284 10 0 DCAELO C[C@@H](CNC(=O)C(=O)Nc1ccccc1F)[NH+]1CCOCC1 ZINC000041600712 395738537 /nfs/dbraw/zinc/73/85/37/395738537.db2.gz YDXWUQHQIPVASN-NSHDSACASA-N 1 2 309.341 0.601 10 0 DCAELO CC1(CNC(=O)N2CC[NH+](Cc3cccnc3)CC2)COC1 ZINC000112723134 395822734 /nfs/dbraw/zinc/82/27/34/395822734.db2.gz UNLUDZDKKKZHNK-UHFFFAOYSA-N 1 2 304.394 0.945 10 0 DCAELO Cc1c([C@H](C)NC(=O)NC[C@@H](C)[NH+]2CCOCC2)cnn1C ZINC000049130613 395828421 /nfs/dbraw/zinc/82/84/21/395828421.db2.gz IKLNYHSTVBBWJI-NEPJUHHUSA-N 1 2 309.414 0.809 10 0 DCAELO Cc1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCO2)cc1C ZINC000118115387 395860231 /nfs/dbraw/zinc/86/02/31/395860231.db2.gz WIQKPGKNUDGYRQ-AWEZNQCLSA-N 1 2 305.378 0.689 10 0 DCAELO Cc1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1C ZINC000118115387 395860234 /nfs/dbraw/zinc/86/02/34/395860234.db2.gz WIQKPGKNUDGYRQ-AWEZNQCLSA-N 1 2 305.378 0.689 10 0 DCAELO COC(=O)NCC(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000115389112 395839106 /nfs/dbraw/zinc/83/91/06/395839106.db2.gz ZGVCGSWDHVILCD-UHFFFAOYSA-N 1 2 323.397 0.037 10 0 DCAELO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cccc(-n2cncn2)c1 ZINC000115334107 395839548 /nfs/dbraw/zinc/83/95/48/395839548.db2.gz YEXXHPWKMHPSGK-CYBMUJFWSA-N 1 2 315.377 0.718 10 0 DCAELO COCC[N@@H+]1CCN(Cc2cc(=O)n3[nH]ccc3n2)C[C@@H]1C ZINC000108867412 395794145 /nfs/dbraw/zinc/79/41/45/395794145.db2.gz APNFPECVDPOQGE-LBPRGKRZSA-N 1 2 305.382 0.175 10 0 DCAELO COCC[N@H+]1CCN(Cc2cc(=O)n3[nH]ccc3n2)C[C@@H]1C ZINC000108867412 395794149 /nfs/dbraw/zinc/79/41/49/395794149.db2.gz APNFPECVDPOQGE-LBPRGKRZSA-N 1 2 305.382 0.175 10 0 DCAELO CCCc1noc(CCCC(=O)NC[C@@H]2C[N@H+](C)CCO2)n1 ZINC000194605382 395801257 /nfs/dbraw/zinc/80/12/57/395801257.db2.gz MAQRCTZPJNGRAV-GFCCVEGCSA-N 1 2 310.398 0.792 10 0 DCAELO CCCc1noc(CCCC(=O)NC[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000194605382 395801259 /nfs/dbraw/zinc/80/12/59/395801259.db2.gz MAQRCTZPJNGRAV-GFCCVEGCSA-N 1 2 310.398 0.792 10 0 DCAELO CC(C)CC(=O)N[C@@H](C(=O)NC[C@@H]1C[N@H+](C)CCO1)C(C)C ZINC000194607368 395801416 /nfs/dbraw/zinc/80/14/16/395801416.db2.gz RLLDEDNEBXJXIP-UKRRQHHQSA-N 1 2 313.442 0.620 10 0 DCAELO CC(C)CC(=O)N[C@@H](C(=O)NC[C@@H]1C[N@@H+](C)CCO1)C(C)C ZINC000194607368 395801418 /nfs/dbraw/zinc/80/14/18/395801418.db2.gz RLLDEDNEBXJXIP-UKRRQHHQSA-N 1 2 313.442 0.620 10 0 DCAELO COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)NCCn1cc[nH+]c1 ZINC000234575696 395888954 /nfs/dbraw/zinc/88/89/54/395888954.db2.gz ZIZYLYJIWFHPIB-MNOVXSKESA-N 1 2 301.368 0.144 10 0 DCAELO COC(=O)[C@@H]1C[N@H+](CCn2c(C)csc2=O)C[C@@H](C)O1 ZINC000123524996 395895359 /nfs/dbraw/zinc/89/53/59/395895359.db2.gz KQWILXPWALDGKF-MNOVXSKESA-N 1 2 300.380 0.481 10 0 DCAELO COC(=O)[C@@H]1C[N@@H+](CCn2c(C)csc2=O)C[C@@H](C)O1 ZINC000123524996 395895361 /nfs/dbraw/zinc/89/53/61/395895361.db2.gz KQWILXPWALDGKF-MNOVXSKESA-N 1 2 300.380 0.481 10 0 DCAELO C[C@@H](O)C[N@@H+]1CCN(CC(=O)NOCc2ccccc2)C[C@@H]1C ZINC000119397460 395870573 /nfs/dbraw/zinc/87/05/73/395870573.db2.gz DQGMOQLOCNGLLU-LSDHHAIUSA-N 1 2 321.421 0.621 10 0 DCAELO C[C@@H](O)C[N@H+]1CCN(CC(=O)NOCc2ccccc2)C[C@@H]1C ZINC000119397460 395870576 /nfs/dbraw/zinc/87/05/76/395870576.db2.gz DQGMOQLOCNGLLU-LSDHHAIUSA-N 1 2 321.421 0.621 10 0 DCAELO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cn1 ZINC000119867894 395877191 /nfs/dbraw/zinc/87/71/91/395877191.db2.gz JLQOZGZRSPXVMP-CQSZACIVSA-N 1 2 318.377 0.262 10 0 DCAELO COC(=O)[C@H](C)CN(C)c1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000245605657 395933321 /nfs/dbraw/zinc/93/33/21/395933321.db2.gz MGMXVORZAVXGTI-NEPJUHHUSA-N 1 2 308.382 0.683 10 0 DCAELO COC(=O)[C@H](C)CN(C)c1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000245605657 395933323 /nfs/dbraw/zinc/93/33/23/395933323.db2.gz MGMXVORZAVXGTI-NEPJUHHUSA-N 1 2 308.382 0.683 10 0 DCAELO C[C@H]1OCC[C@@H]1S(=O)(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000135510804 395940187 /nfs/dbraw/zinc/94/01/87/395940187.db2.gz QWAOACZWWYYPIS-YPMHNXCESA-N 1 2 322.390 0.864 10 0 DCAELO CCCCN(C)S(=O)(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000246622146 395954051 /nfs/dbraw/zinc/95/40/51/395954051.db2.gz XYWADNSAUMDYLF-KBPBESRZSA-N 1 2 319.471 0.616 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc([S@@](C)=O)cc2)C[C@H]1C ZINC000246656661 395954978 /nfs/dbraw/zinc/95/49/78/395954978.db2.gz GVWJYNBYHIVQCA-GPAUDHNESA-N 1 2 324.446 0.951 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc([S@@](C)=O)cc2)C[C@H]1C ZINC000246656661 395954982 /nfs/dbraw/zinc/95/49/82/395954982.db2.gz GVWJYNBYHIVQCA-GPAUDHNESA-N 1 2 324.446 0.951 10 0 DCAELO CCOCC[N@@H+]1CCN(S(=O)(=O)C[C@H]2CCOC2)C[C@H]1C ZINC000246911050 395961067 /nfs/dbraw/zinc/96/10/67/395961067.db2.gz AVIYMDYBMCAQON-KGLIPLIRSA-N 1 2 320.455 0.395 10 0 DCAELO CCOCC[N@H+]1CCN(S(=O)(=O)C[C@H]2CCOC2)C[C@H]1C ZINC000246911050 395961070 /nfs/dbraw/zinc/96/10/70/395961070.db2.gz AVIYMDYBMCAQON-KGLIPLIRSA-N 1 2 320.455 0.395 10 0 DCAELO CC[C@H]1CN(C(=O)CCCS(C)(=O)=O)CC[N@@H+]1C[C@H](C)O ZINC000246939103 395961625 /nfs/dbraw/zinc/96/16/25/395961625.db2.gz RPPTVEOFTVDXOS-STQMWFEESA-N 1 2 320.455 0.115 10 0 DCAELO CC[C@H]1CN(C(=O)CCCS(C)(=O)=O)CC[N@H+]1C[C@H](C)O ZINC000246939103 395961628 /nfs/dbraw/zinc/96/16/28/395961628.db2.gz RPPTVEOFTVDXOS-STQMWFEESA-N 1 2 320.455 0.115 10 0 DCAELO CCOC(=O)[C@@H]1CCCN(C(=O)C[NH+]2[C@H](C)COC[C@H]2C)C1 ZINC000246944546 395962108 /nfs/dbraw/zinc/96/21/08/395962108.db2.gz FGUVHLUZDGBCPV-MGPQQGTHSA-N 1 2 312.410 0.897 10 0 DCAELO CCn1cc([C@@H]2C[N@H+](C[C@@H](O)CN3CCCC3=O)CCO2)cn1 ZINC000248709025 395995630 /nfs/dbraw/zinc/99/56/30/395995630.db2.gz IIWKLVCWYQLWML-CABCVRRESA-N 1 2 322.409 0.260 10 0 DCAELO CCn1cc([C@@H]2C[N@@H+](C[C@@H](O)CN3CCCC3=O)CCO2)cn1 ZINC000248709025 395995633 /nfs/dbraw/zinc/99/56/33/395995633.db2.gz IIWKLVCWYQLWML-CABCVRRESA-N 1 2 322.409 0.260 10 0 DCAELO O=S(=O)(c1cncc(F)c1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261837627 396071292 /nfs/dbraw/zinc/07/12/92/396071292.db2.gz ZLCMJTTUEAAEEC-AWEZNQCLSA-N 1 2 322.365 0.951 10 0 DCAELO C[C@H](NC(=O)C[N@@H+]1CC[C@H](Oc2cccnc2)C1)C(=O)N(C)C ZINC000152230886 396003420 /nfs/dbraw/zinc/00/34/20/396003420.db2.gz APANJEDDARVOEZ-JSGCOSHPSA-N 1 2 320.393 0.128 10 0 DCAELO C[C@H](NC(=O)C[N@H+]1CC[C@H](Oc2cccnc2)C1)C(=O)N(C)C ZINC000152230886 396003426 /nfs/dbraw/zinc/00/34/26/396003426.db2.gz APANJEDDARVOEZ-JSGCOSHPSA-N 1 2 320.393 0.128 10 0 DCAELO CN(CC[NH+]1CCOCC1)C(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000170716705 396097154 /nfs/dbraw/zinc/09/71/54/396097154.db2.gz NUBXHLQVKCKISR-UHFFFAOYSA-N 1 2 316.361 0.327 10 0 DCAELO COC(=O)[C@H]1C[C@@H]1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000171367608 396115259 /nfs/dbraw/zinc/11/52/59/396115259.db2.gz SRKJQWRTSMIUCR-RYUDHWBXSA-N 1 2 300.318 0.693 10 0 DCAELO Cn1c(CNC(=O)NC[C@H]2C[N@H+](C)CCO2)nc2ccccc21 ZINC000171594643 396119956 /nfs/dbraw/zinc/11/99/56/396119956.db2.gz FFSONRKYTXJIAC-LBPRGKRZSA-N 1 2 317.393 0.703 10 0 DCAELO Cn1c(CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)nc2ccccc21 ZINC000171594643 396119958 /nfs/dbraw/zinc/11/99/58/396119958.db2.gz FFSONRKYTXJIAC-LBPRGKRZSA-N 1 2 317.393 0.703 10 0 DCAELO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@@H]2CCCOC2)CC1 ZINC000172352594 396130957 /nfs/dbraw/zinc/13/09/57/396130957.db2.gz LAUUJJWZCMRVTH-GXTWGEPZSA-N 1 2 324.425 0.160 10 0 DCAELO CC[C@H](C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)N1CCCC1=O ZINC000173591357 396135346 /nfs/dbraw/zinc/13/53/46/396135346.db2.gz CMILBYORGOVMGS-UONOGXRCSA-N 1 2 309.410 0.367 10 0 DCAELO CC[C@H](C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)N1CCCC1=O ZINC000173591357 396135350 /nfs/dbraw/zinc/13/53/50/396135350.db2.gz CMILBYORGOVMGS-UONOGXRCSA-N 1 2 309.410 0.367 10 0 DCAELO CC(C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263232480 396207527 /nfs/dbraw/zinc/20/75/27/396207527.db2.gz NNXRBONICHIOJZ-MNOVXSKESA-N 1 2 303.353 0.747 10 0 DCAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)N1CCc2ccccc21 ZINC000176658440 396158844 /nfs/dbraw/zinc/15/88/44/396158844.db2.gz PTCFTPCDXQEETL-AWEZNQCLSA-N 1 2 305.378 0.452 10 0 DCAELO O=C(NCc1ccn2cc[nH+]c2c1)N[C@H]1CCc2ncnn2C1 ZINC000177628552 396180399 /nfs/dbraw/zinc/18/03/99/396180399.db2.gz FKYGCRHBYJFQJP-LBPRGKRZSA-N 1 2 311.349 0.740 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)NCc2ccn3ccnc3c2)C1 ZINC000177951602 396186819 /nfs/dbraw/zinc/18/68/19/396186819.db2.gz QACTYHOXGJLUCH-ZDUSSCGKSA-N 1 2 303.366 0.464 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)NCc2ccn3ccnc3c2)C1 ZINC000177951602 396186821 /nfs/dbraw/zinc/18/68/21/396186821.db2.gz QACTYHOXGJLUCH-ZDUSSCGKSA-N 1 2 303.366 0.464 10 0 DCAELO CCc1[nH+]c2ccccc2n1CC(=O)N[C@@H]1CCC(=O)NC1=O ZINC000178564240 396199475 /nfs/dbraw/zinc/19/94/75/396199475.db2.gz ROUNLTZWPXVWIV-LLVKDONJSA-N 1 2 314.345 0.520 10 0 DCAELO CCc1n[nH]c(=O)c(CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)c1CC ZINC000263164803 396204301 /nfs/dbraw/zinc/20/43/01/396204301.db2.gz FCOOCTRYALWUFC-NSHDSACASA-N 1 2 314.336 0.508 10 0 DCAELO Cn1cc([C@H]2C[NH2+]CCN2S(=O)(=O)c2cccnc2)cn1 ZINC000181698565 396241290 /nfs/dbraw/zinc/24/12/90/396241290.db2.gz YVAOASAFJADOHD-CYBMUJFWSA-N 1 2 307.379 0.150 10 0 DCAELO COCC(=O)NC1C[NH+](C[C@H](O)COc2ccc(C)cc2)C1 ZINC000185091332 396317549 /nfs/dbraw/zinc/31/75/49/396317549.db2.gz HSUXGFNSTVVMEB-AWEZNQCLSA-N 1 2 308.378 0.182 10 0 DCAELO COCC(=O)NC1C[NH+](C[C@H](O)COc2c(C)cccc2C)C1 ZINC000185093196 396317997 /nfs/dbraw/zinc/31/79/97/396317997.db2.gz NMIOHBWVHSXINB-HNNXBMFYSA-N 1 2 322.405 0.490 10 0 DCAELO Cc1ccc(CS(=O)(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1F ZINC000184128519 396286133 /nfs/dbraw/zinc/28/61/33/396286133.db2.gz LKYNOECAHQQJSD-CYBMUJFWSA-N 1 2 316.398 0.884 10 0 DCAELO Cc1ccc(CS(=O)(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1F ZINC000184128519 396286139 /nfs/dbraw/zinc/28/61/39/396286139.db2.gz LKYNOECAHQQJSD-CYBMUJFWSA-N 1 2 316.398 0.884 10 0 DCAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)NCc1ccc(C(N)=O)o1 ZINC000184474705 396296784 /nfs/dbraw/zinc/29/67/84/396296784.db2.gz DGNNAKCGMOCTMC-LBPRGKRZSA-N 1 2 309.366 0.496 10 0 DCAELO CCCC[N@H+]1CCOC[C@H]1C(=O)NCc1ccc(C(N)=O)o1 ZINC000184474705 396296787 /nfs/dbraw/zinc/29/67/87/396296787.db2.gz DGNNAKCGMOCTMC-LBPRGKRZSA-N 1 2 309.366 0.496 10 0 DCAELO CN(C)c1noc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)n1 ZINC000185239201 396322328 /nfs/dbraw/zinc/32/23/28/396322328.db2.gz JUYWIUKXKNYCAJ-LBPRGKRZSA-N 1 2 323.397 0.206 10 0 DCAELO CN(C)c1noc(C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)n1 ZINC000185239201 396322330 /nfs/dbraw/zinc/32/23/30/396322330.db2.gz JUYWIUKXKNYCAJ-LBPRGKRZSA-N 1 2 323.397 0.206 10 0 DCAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1cc(F)c(O)c(F)c1 ZINC000186582253 396353298 /nfs/dbraw/zinc/35/32/98/396353298.db2.gz AGEBQZHFPDWPLI-SNVBAGLBSA-N 1 2 316.304 0.093 10 0 DCAELO Cc1nc2ccc(NCC(C)(C)[NH+]3CCS(=O)CC3)nn2n1 ZINC000286015173 396369537 /nfs/dbraw/zinc/36/95/37/396369537.db2.gz AAQJKPARQGQHAD-UHFFFAOYSA-N 1 2 322.438 0.688 10 0 DCAELO COC(=O)[C@H]1C[C@H]1C(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186445100 396350023 /nfs/dbraw/zinc/35/00/23/396350023.db2.gz IXHGSMYVYRARQH-OLZOCXBDSA-N 1 2 303.362 0.929 10 0 DCAELO C[C@@H]1CN(C(=O)c2cccc(C[S@](C)=O)c2)CC[N@@H+]1CCO ZINC000188794732 396386286 /nfs/dbraw/zinc/38/62/86/396386286.db2.gz DNFMGKLJFBGEBU-DMZKTXOQSA-N 1 2 324.446 0.704 10 0 DCAELO C[C@@H]1CN(C(=O)c2cccc(C[S@](C)=O)c2)CC[N@H+]1CCO ZINC000188794732 396386291 /nfs/dbraw/zinc/38/62/91/396386291.db2.gz DNFMGKLJFBGEBU-DMZKTXOQSA-N 1 2 324.446 0.704 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@@](C)(O)Cc3ccccc3)C[C@@H]21 ZINC000286297766 396386287 /nfs/dbraw/zinc/38/62/87/396386287.db2.gz HVLAVZGTTODSED-JZXOWHBKSA-N 1 2 318.417 0.912 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@@](C)(O)Cc3ccccc3)C[C@@H]21 ZINC000286297766 396386290 /nfs/dbraw/zinc/38/62/90/396386290.db2.gz HVLAVZGTTODSED-JZXOWHBKSA-N 1 2 318.417 0.912 10 0 DCAELO COC(=O)Cc1cccc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000188815915 396387497 /nfs/dbraw/zinc/38/74/97/396387497.db2.gz PVNWVLGWSSVZDV-CQSZACIVSA-N 1 2 306.362 0.463 10 0 DCAELO COC(=O)Cc1cccc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000188815915 396387499 /nfs/dbraw/zinc/38/74/99/396387499.db2.gz PVNWVLGWSSVZDV-CQSZACIVSA-N 1 2 306.362 0.463 10 0 DCAELO CC(C)[C@H](CNC(=O)[C@H]1C[C@H](F)C[NH2+]1)[NH+]1CCN(C)CC1 ZINC000188923648 396388445 /nfs/dbraw/zinc/38/84/45/396388445.db2.gz MVMMFDVVNHBKMO-MJBXVCDLSA-N 1 2 300.422 0.075 10 0 DCAELO COCCN1CCCN(C(=O)c2ccc3[nH+]ccn3c2)CC1=O ZINC000189056338 396390650 /nfs/dbraw/zinc/39/06/50/396390650.db2.gz ADGMXPKRDQBXRG-UHFFFAOYSA-N 1 2 316.361 0.655 10 0 DCAELO O=C(Cn1cnnn1)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000189127749 396391268 /nfs/dbraw/zinc/39/12/68/396391268.db2.gz QARZWTTUUJABFY-UHFFFAOYSA-N 1 2 320.784 0.501 10 0 DCAELO O=C(Cn1cnnn1)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000189127749 396391271 /nfs/dbraw/zinc/39/12/71/396391271.db2.gz QARZWTTUUJABFY-UHFFFAOYSA-N 1 2 320.784 0.501 10 0 DCAELO C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+]1CCCN(C)C(=O)C1 ZINC000191090073 396415082 /nfs/dbraw/zinc/41/50/82/396415082.db2.gz MJSIXHBQLUNPBY-CHWSQXEVSA-N 1 2 324.425 0.555 10 0 DCAELO C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+]1CCCN(C)C(=O)C1 ZINC000191090073 396415085 /nfs/dbraw/zinc/41/50/85/396415085.db2.gz MJSIXHBQLUNPBY-CHWSQXEVSA-N 1 2 324.425 0.555 10 0 DCAELO C[C@@H](C(=O)NC(=O)Nc1ccccc1)[N@@H+]1CCCN(C)C(=O)C1 ZINC000191105344 396415831 /nfs/dbraw/zinc/41/58/31/396415831.db2.gz MEFXISVJUROURO-LBPRGKRZSA-N 1 2 318.377 0.887 10 0 DCAELO C[C@@H](C(=O)NC(=O)Nc1ccccc1)[N@H+]1CCCN(C)C(=O)C1 ZINC000191105344 396415833 /nfs/dbraw/zinc/41/58/33/396415833.db2.gz MEFXISVJUROURO-LBPRGKRZSA-N 1 2 318.377 0.887 10 0 DCAELO Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)c1 ZINC000192652533 396433890 /nfs/dbraw/zinc/43/38/90/396433890.db2.gz XUBLPZKWGVSFTN-INIZCTEOSA-N 1 2 316.361 0.608 10 0 DCAELO Cc1cccc(NC(=O)C[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)c1 ZINC000192652533 396433893 /nfs/dbraw/zinc/43/38/93/396433893.db2.gz XUBLPZKWGVSFTN-INIZCTEOSA-N 1 2 316.361 0.608 10 0 DCAELO C[C@H]1CN(C(=O)c2cnc(Cl)cn2)C[C@H]1[NH+]1CCOCC1 ZINC000192804513 396438096 /nfs/dbraw/zinc/43/80/96/396438096.db2.gz GJKRTUJTDGJNSX-CMPLNLGQSA-N 1 2 310.785 0.923 10 0 DCAELO C[C@H]1CN(C(=O)c2cnc(Cl)cn2)C[C@@H]1[NH+]1CCOCC1 ZINC000192804481 396438217 /nfs/dbraw/zinc/43/82/17/396438217.db2.gz GJKRTUJTDGJNSX-JQWIXIFHSA-N 1 2 310.785 0.923 10 0 DCAELO Cc1nccc(C[NH+]2CCN(c3ccc(C(N)=O)cn3)CC2)n1 ZINC000507268824 396497099 /nfs/dbraw/zinc/49/70/99/396497099.db2.gz TVCRWMSQKTZLRV-UHFFFAOYSA-N 1 2 312.377 0.601 10 0 DCAELO O=C(C[N@@H+]1CCN2CCOC[C@H]2C1)NCc1ccccc1F ZINC000371830117 396478168 /nfs/dbraw/zinc/47/81/68/396478168.db2.gz XVCCYZJHJPAJPV-CQSZACIVSA-N 1 2 307.369 0.458 10 0 DCAELO O=C(C[N@H+]1CCN2CCOC[C@H]2C1)NCc1ccccc1F ZINC000371830117 396478170 /nfs/dbraw/zinc/47/81/70/396478170.db2.gz XVCCYZJHJPAJPV-CQSZACIVSA-N 1 2 307.369 0.458 10 0 DCAELO CN(CCc1cnccn1)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000519443447 396519292 /nfs/dbraw/zinc/51/92/92/396519292.db2.gz QJFGTUNRLQMEON-UHFFFAOYSA-N 1 2 324.344 0.764 10 0 DCAELO O=C(C[N@H+]1C[C@H](F)C[C@H]1CO)NC(=O)NC1CCCCC1 ZINC000372511343 396523412 /nfs/dbraw/zinc/52/34/12/396523412.db2.gz DXEDOKFYZKOJAE-PWSUYJOCSA-N 1 2 301.362 0.550 10 0 DCAELO O=C(C[N@@H+]1C[C@H](F)C[C@H]1CO)NC(=O)NC1CCCCC1 ZINC000372511343 396523415 /nfs/dbraw/zinc/52/34/15/396523415.db2.gz DXEDOKFYZKOJAE-PWSUYJOCSA-N 1 2 301.362 0.550 10 0 DCAELO CC(C)N1CC[N@H+](C[C@@H](O)COC[C@@H]2CCCO2)CC1=O ZINC000561530794 396643831 /nfs/dbraw/zinc/64/38/31/396643831.db2.gz QOVLWKJHIRGSFG-KGLIPLIRSA-N 1 2 300.399 0.096 10 0 DCAELO CC(C)N1CC[N@@H+](C[C@@H](O)COC[C@@H]2CCCO2)CC1=O ZINC000561530794 396643834 /nfs/dbraw/zinc/64/38/34/396643834.db2.gz QOVLWKJHIRGSFG-KGLIPLIRSA-N 1 2 300.399 0.096 10 0 DCAELO CN(C[C@H]1CCC[C@@H]1O)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000561016958 396628333 /nfs/dbraw/zinc/62/83/33/396628333.db2.gz ZIDCVVGIPNESDZ-YPMHNXCESA-N 1 2 316.361 0.892 10 0 DCAELO NC(=O)[C@]1(O)CCC[N@H+](Cc2ccc(Br)o2)C1 ZINC000310325976 396759384 /nfs/dbraw/zinc/75/93/84/396759384.db2.gz YSVDZVXVMFGDES-NSHDSACASA-N 1 2 303.156 0.854 10 0 DCAELO NC(=O)[C@]1(O)CCC[N@@H+](Cc2ccc(Br)o2)C1 ZINC000310325976 396759388 /nfs/dbraw/zinc/75/93/88/396759388.db2.gz YSVDZVXVMFGDES-NSHDSACASA-N 1 2 303.156 0.854 10 0 DCAELO CCN1CCN(C(=O)[C@H](C)n2cncn2)C[C@H]1c1[nH+]ccn1C ZINC000328626777 396824147 /nfs/dbraw/zinc/82/41/47/396824147.db2.gz MCETYMWCIQMUCS-STQMWFEESA-N 1 2 317.397 0.478 10 0 DCAELO CN1CCN(C(=O)COC[C@H]2CCCO2)C[C@H]1c1[nH]cc[nH+]1 ZINC000328643841 396829454 /nfs/dbraw/zinc/82/94/54/396829454.db2.gz YZQXPHDRMLVUKV-OLZOCXBDSA-N 1 2 308.382 0.420 10 0 DCAELO CC(=O)N1CCN(C(=O)C[N@@H+]2CCO[C@H](C(F)F)CC2)CC1 ZINC000634750500 396907784 /nfs/dbraw/zinc/90/77/84/396907784.db2.gz YICXWCHXLOCGEH-LBPRGKRZSA-N 1 2 319.352 0.033 10 0 DCAELO CC(=O)N1CCN(C(=O)C[N@H+]2CCO[C@H](C(F)F)CC2)CC1 ZINC000634750500 396907787 /nfs/dbraw/zinc/90/77/87/396907787.db2.gz YICXWCHXLOCGEH-LBPRGKRZSA-N 1 2 319.352 0.033 10 0 DCAELO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1C[C@H](C(N)=O)O[C@@H](C)C1 ZINC000625735595 396989776 /nfs/dbraw/zinc/98/97/76/396989776.db2.gz GDBVRKYDEQLUGQ-IGQOVBAYSA-N 1 2 311.426 0.741 10 0 DCAELO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1C[C@H](C(N)=O)O[C@@H](C)C1 ZINC000625735595 396989783 /nfs/dbraw/zinc/98/97/83/396989783.db2.gz GDBVRKYDEQLUGQ-IGQOVBAYSA-N 1 2 311.426 0.741 10 0 DCAELO Cc1cc(C)c(C(=O)N2CCO[C@@H](C[NH+]3CCN(C)CC3)C2)o1 ZINC000378003894 397177880 /nfs/dbraw/zinc/17/78/80/397177880.db2.gz UBKBJQQMEZBUHQ-HNNXBMFYSA-N 1 2 321.421 0.985 10 0 DCAELO COC(=O)C1CCN(C(=O)[C@@H](C)[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000377913036 397164115 /nfs/dbraw/zinc/16/41/15/397164115.db2.gz LPHNPYOMYZINOY-BNOWGMLFSA-N 1 2 310.394 0.650 10 0 DCAELO COC(=O)C1CCN(C(=O)[C@@H](C)[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000377913036 397164118 /nfs/dbraw/zinc/16/41/18/397164118.db2.gz LPHNPYOMYZINOY-BNOWGMLFSA-N 1 2 310.394 0.650 10 0 DCAELO COC(=O)CCCS(=O)(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000601526017 397165967 /nfs/dbraw/zinc/16/59/67/397165967.db2.gz HXQQJYIJIRPVOR-UHFFFAOYSA-N 1 2 303.384 0.491 10 0 DCAELO O[C@@H](CN1CCN(c2ccc(F)cn2)CC1)C[NH+]1CCOCC1 ZINC000378467969 397244638 /nfs/dbraw/zinc/24/46/38/397244638.db2.gz YFCNZBQTOMMWTO-HNNXBMFYSA-N 1 2 324.400 0.036 10 0 DCAELO CC1(CO)CCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000574890867 397309089 /nfs/dbraw/zinc/30/90/89/397309089.db2.gz ZVRKOVPPKRPRRD-UHFFFAOYSA-N 1 2 316.361 0.894 10 0 DCAELO NC(=O)NCC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000407959185 397337023 /nfs/dbraw/zinc/33/70/23/397337023.db2.gz SZHQBFWTBQMKPW-NSHDSACASA-N 1 2 305.382 0.594 10 0 DCAELO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1c(Cl)cnn1C ZINC000408381998 397355454 /nfs/dbraw/zinc/35/54/54/397355454.db2.gz AZIGXJMVLBGHDB-IUCAKERBSA-N 1 2 306.819 0.787 10 0 DCAELO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1c(Cl)cnn1C ZINC000408381998 397355457 /nfs/dbraw/zinc/35/54/57/397355457.db2.gz AZIGXJMVLBGHDB-IUCAKERBSA-N 1 2 306.819 0.787 10 0 DCAELO C[C@@H](C(=O)N1CCCCC1)[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000408449983 397357640 /nfs/dbraw/zinc/35/76/40/397357640.db2.gz CONXRNQFAPKVRB-STQMWFEESA-N 1 2 302.440 0.754 10 0 DCAELO C[C@@H](C(=O)N1CCCCC1)[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000408449983 397357643 /nfs/dbraw/zinc/35/76/43/397357643.db2.gz CONXRNQFAPKVRB-STQMWFEESA-N 1 2 302.440 0.754 10 0 DCAELO Cc1nc(C(=O)Nc2ccc3[nH+]ccn3c2)nn1-c1nc[nH]n1 ZINC000606533063 397683612 /nfs/dbraw/zinc/68/36/12/397683612.db2.gz AAMRWDYILNPIOX-UHFFFAOYSA-N 1 2 309.293 0.594 10 0 DCAELO C[C@H](CNC(=O)c1ccc2[nH]c(=O)[nH]c2c1)[NH+]1CCOCC1 ZINC000046268289 158002121 /nfs/dbraw/zinc/00/21/21/158002121.db2.gz JSUMPAAFAKAGGB-SNVBAGLBSA-N 1 2 304.350 0.307 10 0 DCAELO C[C@H]1CCCC[C@H]1OCCNC(=O)C[N@@H+]1CCNC(=O)CC1 ZINC000065954845 158034307 /nfs/dbraw/zinc/03/43/07/158034307.db2.gz YWGFFEBNURITMG-UONOGXRCSA-N 1 2 311.426 0.520 10 0 DCAELO C[C@H]1CCCC[C@H]1OCCNC(=O)C[N@H+]1CCNC(=O)CC1 ZINC000065954845 158034309 /nfs/dbraw/zinc/03/43/09/158034309.db2.gz YWGFFEBNURITMG-UONOGXRCSA-N 1 2 311.426 0.520 10 0 DCAELO CC1CCC2(CC(=O)N(C[C@@H](O)C[NH+]3CCOCC3)C2=O)CC1 ZINC000069167244 158044881 /nfs/dbraw/zinc/04/48/81/158044881.db2.gz LRLIHNVWEMXIAP-UUCFBXCCSA-N 1 2 324.421 0.635 10 0 DCAELO COCCC[N@H+](CC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000071121395 158049361 /nfs/dbraw/zinc/04/93/61/158049361.db2.gz GQYBRGQPIWSEKL-LBPRGKRZSA-N 1 2 320.455 0.427 10 0 DCAELO COCCC[N@@H+](CC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000071121395 158049365 /nfs/dbraw/zinc/04/93/65/158049365.db2.gz GQYBRGQPIWSEKL-LBPRGKRZSA-N 1 2 320.455 0.427 10 0 DCAELO CC(=O)N[C@H]1CCC[N@H+](CC(=O)NCCOc2ccccc2)C1 ZINC000071952947 158050979 /nfs/dbraw/zinc/05/09/79/158050979.db2.gz GSGZLPOTRHEATL-HNNXBMFYSA-N 1 2 319.405 0.782 10 0 DCAELO CC(=O)N[C@H]1CCC[N@@H+](CC(=O)NCCOc2ccccc2)C1 ZINC000071952947 158050980 /nfs/dbraw/zinc/05/09/80/158050980.db2.gz GSGZLPOTRHEATL-HNNXBMFYSA-N 1 2 319.405 0.782 10 0 DCAELO O=C(CN1C(=O)c2ccccc2C1=O)N1CCn2cc[nH+]c2C1 ZINC000074785080 158059525 /nfs/dbraw/zinc/05/95/25/158059525.db2.gz WZKMGEXRRRXYKU-UHFFFAOYSA-N 1 2 310.313 0.522 10 0 DCAELO O=C(Nc1ccc(OCC(F)(F)F)nc1)[C@H]1COCC[NH2+]1 ZINC000088358324 158093669 /nfs/dbraw/zinc/09/36/69/158093669.db2.gz WBPIUEGYFNUKTK-SECBINFHSA-N 1 2 305.256 0.950 10 0 DCAELO C[NH+](C)[C@@H](CNC(=O)CNC(N)=O)c1c(F)cccc1F ZINC000115715971 158163042 /nfs/dbraw/zinc/16/30/42/158163042.db2.gz BJGPNTURFDDEJS-JTQLQIEISA-N 1 2 300.309 0.352 10 0 DCAELO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC000119994674 158191888 /nfs/dbraw/zinc/19/18/88/158191888.db2.gz JQKOXRPZTGLNSQ-STQMWFEESA-N 1 2 304.394 0.680 10 0 DCAELO CCN(CC)C(=O)CCC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000120885263 158205079 /nfs/dbraw/zinc/20/50/79/158205079.db2.gz SCNKGGLVEAKTDG-CQSZACIVSA-N 1 2 311.426 0.568 10 0 DCAELO CCCn1cc(C[NH+]2CCN(CC(=O)NCCOC)CC2)cn1 ZINC000121259828 158209057 /nfs/dbraw/zinc/20/90/57/158209057.db2.gz ZPCWGGKRFZTTBD-UHFFFAOYSA-N 1 2 323.441 0.173 10 0 DCAELO O=C(COc1ccc(F)cc1)NC[C@H](O)C[NH+]1CCOCC1 ZINC000129086418 158286542 /nfs/dbraw/zinc/28/65/42/158286542.db2.gz SLWWPGZRNUJHSQ-ZDUSSCGKSA-N 1 2 312.341 0.014 10 0 DCAELO CC(C)Cn1cc[nH+]c1CNC(=O)CCCS(C)(=O)=O ZINC000131094405 158298449 /nfs/dbraw/zinc/29/84/49/158298449.db2.gz UEZQVPPXQOBBNG-UHFFFAOYSA-N 1 2 301.412 0.980 10 0 DCAELO COC(C)(C)C(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000171594107 158384216 /nfs/dbraw/zinc/38/42/16/158384216.db2.gz OHXKHXPTBRHKQA-UHFFFAOYSA-N 1 2 319.405 0.855 10 0 DCAELO CC1(C)COCC[N@@H+]1CCNC(=O)N[C@H]1CCc2ncnn2C1 ZINC000171870594 158387400 /nfs/dbraw/zinc/38/74/00/158387400.db2.gz AYDUBABBCMPJPH-LBPRGKRZSA-N 1 2 322.413 0.003 10 0 DCAELO CC1(C)COCC[N@H+]1CCNC(=O)N[C@H]1CCc2ncnn2C1 ZINC000171870594 158387401 /nfs/dbraw/zinc/38/74/01/158387401.db2.gz AYDUBABBCMPJPH-LBPRGKRZSA-N 1 2 322.413 0.003 10 0 DCAELO O=C(CN1CCCCCCC1=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172750284 158398487 /nfs/dbraw/zinc/39/84/87/158398487.db2.gz KBPYUKUHFBOKHH-HNNXBMFYSA-N 1 2 323.437 0.712 10 0 DCAELO CCC(=O)N1CCCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172750404 158398658 /nfs/dbraw/zinc/39/86/58/158398658.db2.gz QTTGTOYOVXARSH-CABCVRRESA-N 1 2 323.437 0.711 10 0 DCAELO CN1C[C@H](C(=O)N2CCCN(c3cccc[nH+]3)CC2)CC1=O ZINC000186405213 158531071 /nfs/dbraw/zinc/53/10/71/158531071.db2.gz NYMIFGAEMJFGJW-CYBMUJFWSA-N 1 2 302.378 0.599 10 0 DCAELO C[C@H]1C(=O)NCCCN1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000191518102 158569130 /nfs/dbraw/zinc/56/91/30/158569130.db2.gz IZMPFMCBGOSQTM-QWHCGFSZSA-N 1 2 317.393 0.580 10 0 DCAELO CN(CC(=O)NCc1cccs1)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263258733 158866387 /nfs/dbraw/zinc/86/63/87/158866387.db2.gz QQZXMVOGICUNEI-JTQLQIEISA-N 1 2 317.361 0.820 10 0 DCAELO Cc1nc(C)n(C[C@@H]2C[N@@H+]([C@H]3CCN(C4CC4)C3=O)CCO2)n1 ZINC000328611202 159014234 /nfs/dbraw/zinc/01/42/34/159014234.db2.gz OIBIVCZDEJFYEZ-GJZGRUSLSA-N 1 2 319.409 0.359 10 0 DCAELO Cc1nc(C)n(C[C@@H]2C[N@H+]([C@H]3CCN(C4CC4)C3=O)CCO2)n1 ZINC000328611202 159014235 /nfs/dbraw/zinc/01/42/35/159014235.db2.gz OIBIVCZDEJFYEZ-GJZGRUSLSA-N 1 2 319.409 0.359 10 0 DCAELO O=C(CN1CN=NC1=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000328651090 159017916 /nfs/dbraw/zinc/01/79/16/159017916.db2.gz JNXPWJWTFNDZJP-LBPRGKRZSA-N 1 2 305.313 0.296 10 0 DCAELO O=C([C@H]1CCCCS1(=O)=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000328665833 159018779 /nfs/dbraw/zinc/01/87/79/159018779.db2.gz ZNGPDODGMOSUTL-UONOGXRCSA-N 1 2 323.418 0.522 10 0 DCAELO CC(C)CCn1cc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)nn1 ZINC000328930676 159042540 /nfs/dbraw/zinc/04/25/40/159042540.db2.gz ZEBMYPFPDADWEZ-CABCVRRESA-N 1 2 321.425 0.869 10 0 DCAELO CC(C)CCn1cc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)nn1 ZINC000328930676 159042542 /nfs/dbraw/zinc/04/25/42/159042542.db2.gz ZEBMYPFPDADWEZ-CABCVRRESA-N 1 2 321.425 0.869 10 0 DCAELO COC(=O)C1CCN(C(=O)[C@H](C)[N@@H+]2CCC(=O)[C@@H](C)C2)CC1 ZINC000407986312 160003194 /nfs/dbraw/zinc/00/31/94/160003194.db2.gz SPJRPBLVEDEDDL-RYUDHWBXSA-N 1 2 310.394 0.697 10 0 DCAELO COC(=O)C1CCN(C(=O)[C@H](C)[N@H+]2CCC(=O)[C@@H](C)C2)CC1 ZINC000407986312 160003197 /nfs/dbraw/zinc/00/31/97/160003197.db2.gz SPJRPBLVEDEDDL-RYUDHWBXSA-N 1 2 310.394 0.697 10 0 DCAELO O=C(c1nccn2ccnc12)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000408015339 160011370 /nfs/dbraw/zinc/01/13/70/160011370.db2.gz BGYJLECJWLZMJF-GFCCVEGCSA-N 1 2 301.350 0.276 10 0 DCAELO Cc1occc1C(=O)NCC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000408022174 160013745 /nfs/dbraw/zinc/01/37/45/160013745.db2.gz KPJALNHZOVRLAF-KGLIPLIRSA-N 1 2 321.377 0.249 10 0 DCAELO Cc1occc1C(=O)NCC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000408022174 160013746 /nfs/dbraw/zinc/01/37/46/160013746.db2.gz KPJALNHZOVRLAF-KGLIPLIRSA-N 1 2 321.377 0.249 10 0 DCAELO Cc1noc([C@H]2C[N@H+]([C@@H](C)C(=O)NC(C)(C)C)CCN2C)n1 ZINC000408033901 160017839 /nfs/dbraw/zinc/01/78/39/160017839.db2.gz BRYFNSFKYZJFCU-CMPLNLGQSA-N 1 2 309.414 0.970 10 0 DCAELO Cc1noc([C@H]2C[N@@H+]([C@@H](C)C(=O)NC(C)(C)C)CCN2C)n1 ZINC000408033901 160017842 /nfs/dbraw/zinc/01/78/42/160017842.db2.gz BRYFNSFKYZJFCU-CMPLNLGQSA-N 1 2 309.414 0.970 10 0 DCAELO Cc1noc([C@@H]2C[N@H+]([C@@H](C)C(=O)N(C)C(C)C)CCN2C)n1 ZINC000408033952 160018079 /nfs/dbraw/zinc/01/80/79/160018079.db2.gz BYMNMOJGBMJKMA-AAEUAGOBSA-N 1 2 309.414 0.922 10 0 DCAELO Cc1noc([C@@H]2C[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)CCN2C)n1 ZINC000408033952 160018082 /nfs/dbraw/zinc/01/80/82/160018082.db2.gz BYMNMOJGBMJKMA-AAEUAGOBSA-N 1 2 309.414 0.922 10 0 DCAELO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1C[C@H](O)C[C@@H]1CO ZINC000408052739 160024542 /nfs/dbraw/zinc/02/45/42/160024542.db2.gz CZSKZTBPWCGKKN-AAVRWANBSA-N 1 2 305.378 0.108 10 0 DCAELO Cc1oc(S(N)(=O)=O)cc1C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000408116725 160039571 /nfs/dbraw/zinc/03/95/71/160039571.db2.gz ZKOSIOHFVOVXBL-MRVPVSSYSA-N 1 2 301.368 0.012 10 0 DCAELO Cc1oc(S(N)(=O)=O)cc1C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000408116725 160039573 /nfs/dbraw/zinc/03/95/73/160039573.db2.gz ZKOSIOHFVOVXBL-MRVPVSSYSA-N 1 2 301.368 0.012 10 0 DCAELO COCC[N@@H+]1CCN(S(=O)(=O)N2CCC(C)CC2)C[C@@H]1C ZINC000408182744 160054041 /nfs/dbraw/zinc/05/40/41/160054041.db2.gz MXZORNHRMCHDHB-AWEZNQCLSA-N 1 2 319.471 0.616 10 0 DCAELO COCC[N@H+]1CCN(S(=O)(=O)N2CCC(C)CC2)C[C@@H]1C ZINC000408182744 160054043 /nfs/dbraw/zinc/05/40/43/160054043.db2.gz MXZORNHRMCHDHB-AWEZNQCLSA-N 1 2 319.471 0.616 10 0 DCAELO C[C@@H]1C[C@@H](S(=O)(=O)NCCC[NH+]2CCOCC2)CCO1 ZINC000408192304 160056957 /nfs/dbraw/zinc/05/69/57/160056957.db2.gz MKQUISNOYQNFKH-OLZOCXBDSA-N 1 2 306.428 0.196 10 0 DCAELO C[C@H]1C[C@@H](S(=O)(=O)NCCC[NH+]2CCOCC2)CCO1 ZINC000408192307 160056973 /nfs/dbraw/zinc/05/69/73/160056973.db2.gz MKQUISNOYQNFKH-STQMWFEESA-N 1 2 306.428 0.196 10 0 DCAELO C[N@@H+](CC(=O)N1CCCCCC1)C[C@H]1CCS(=O)(=O)C1 ZINC000408220817 160063261 /nfs/dbraw/zinc/06/32/61/160063261.db2.gz ZTKWFORPMHWFBK-CYBMUJFWSA-N 1 2 302.440 0.756 10 0 DCAELO C[N@H+](CC(=O)N1CCCCCC1)C[C@H]1CCS(=O)(=O)C1 ZINC000408220817 160063262 /nfs/dbraw/zinc/06/32/62/160063262.db2.gz ZTKWFORPMHWFBK-CYBMUJFWSA-N 1 2 302.440 0.756 10 0 DCAELO CS(=O)(=O)N[C@H]1CCN(c2cc(N3CCCC3)[nH+]cn2)C1 ZINC000408470293 160115451 /nfs/dbraw/zinc/11/54/51/160115451.db2.gz QNHJJFBYTBIICD-NSHDSACASA-N 1 2 311.411 0.205 10 0 DCAELO CS(=O)(=O)N[C@H]1CCN(c2cc(N3CCCC3)nc[nH+]2)C1 ZINC000408470293 160115452 /nfs/dbraw/zinc/11/54/52/160115452.db2.gz QNHJJFBYTBIICD-NSHDSACASA-N 1 2 311.411 0.205 10 0 DCAELO CC[C@@H](O)C[NH+]1CCN(CCCS(=O)(=O)C(C)C)CC1 ZINC000121203956 286942877 /nfs/dbraw/zinc/94/28/77/286942877.db2.gz BSTQZDSUJPARAO-CQSZACIVSA-N 1 2 306.472 0.588 10 0 DCAELO Cc1cc(NCCC(=O)NC(N)=O)nc(-c2ccncc2)[nH+]1 ZINC000136375214 287026476 /nfs/dbraw/zinc/02/64/76/287026476.db2.gz LNHUOUAMUHWSLS-UHFFFAOYSA-N 1 2 300.322 0.844 10 0 DCAELO Cn1cc(C(N)=O)cc1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000152675229 287043556 /nfs/dbraw/zinc/04/35/56/287043556.db2.gz VHLQYLUYSCZUBD-UHFFFAOYSA-N 1 2 311.345 0.744 10 0 DCAELO CC[C@H]1C[N@@H+]([C@@H](C)C(=O)NCC(=O)OC)CCN1CC(F)F ZINC000153469312 287050117 /nfs/dbraw/zinc/05/01/17/287050117.db2.gz KPLSNVBTRJNPHM-QWRGUYRKSA-N 1 2 321.368 0.325 10 0 DCAELO CC[C@H]1C[N@H+]([C@@H](C)C(=O)NCC(=O)OC)CCN1CC(F)F ZINC000153469312 287050121 /nfs/dbraw/zinc/05/01/21/287050121.db2.gz KPLSNVBTRJNPHM-QWRGUYRKSA-N 1 2 321.368 0.325 10 0 DCAELO C[C@@H](C(=O)N1CCS(=O)(=O)[C@@H](C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000247361231 287092915 /nfs/dbraw/zinc/09/29/15/287092915.db2.gz MKDRIDHTFNOIKE-RNJOBUHISA-N 1 2 302.440 0.893 10 0 DCAELO C[C@@H](C(=O)N1CCS(=O)(=O)[C@@H](C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000247361231 287092919 /nfs/dbraw/zinc/09/29/19/287092919.db2.gz MKDRIDHTFNOIKE-RNJOBUHISA-N 1 2 302.440 0.893 10 0 DCAELO C[C@H](O)C1CCN(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000247347683 287092969 /nfs/dbraw/zinc/09/29/69/287092969.db2.gz KZVQFFSYDOPLFS-IHRRRGAJSA-N 1 2 313.442 0.898 10 0 DCAELO COCCCNC(=O)[C@@H](C)[N@@H+]1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000247388477 287093236 /nfs/dbraw/zinc/09/32/36/287093236.db2.gz WUHYLIVYGHDCFV-CABCVRRESA-N 1 2 324.425 0.434 10 0 DCAELO COCCCNC(=O)[C@@H](C)[N@H+]1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000247388477 287093239 /nfs/dbraw/zinc/09/32/39/287093239.db2.gz WUHYLIVYGHDCFV-CABCVRRESA-N 1 2 324.425 0.434 10 0 DCAELO C[C@H](C(=O)N1CCC(C)CC1)[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247255232 287092507 /nfs/dbraw/zinc/09/25/07/287092507.db2.gz YBLHDJAZGAAMFX-CHWSQXEVSA-N 1 2 317.455 0.257 10 0 DCAELO C[C@H](C(=O)N1CCC(C)CC1)[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247255232 287092508 /nfs/dbraw/zinc/09/25/08/287092508.db2.gz YBLHDJAZGAAMFX-CHWSQXEVSA-N 1 2 317.455 0.257 10 0 DCAELO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)CC[C@@H]1C ZINC000252005536 287120426 /nfs/dbraw/zinc/12/04/26/287120426.db2.gz WZYYDNYCWFODMV-QNWHQSFQSA-N 1 2 318.439 0.035 10 0 DCAELO CO[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)CC[C@@H]1C ZINC000252005536 287120427 /nfs/dbraw/zinc/12/04/27/287120427.db2.gz WZYYDNYCWFODMV-QNWHQSFQSA-N 1 2 318.439 0.035 10 0 DCAELO C[C@@H]1C(=O)NCCC[N@H+]1CC(=O)N[C@H]1CCOc2ccccc21 ZINC000249071205 287179636 /nfs/dbraw/zinc/17/96/36/287179636.db2.gz RABNYYUVQZXVOV-OCCSQVGLSA-N 1 2 317.389 0.837 10 0 DCAELO C[C@@H]1C(=O)NCCC[N@@H+]1CC(=O)N[C@H]1CCOc2ccccc21 ZINC000249071205 287179639 /nfs/dbraw/zinc/17/96/39/287179639.db2.gz RABNYYUVQZXVOV-OCCSQVGLSA-N 1 2 317.389 0.837 10 0 DCAELO CC(C)COC[C@@H](O)CNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000046287019 415259979 /nfs/dbraw/zinc/25/99/79/415259979.db2.gz RIMUBWQSIJOEPT-AWEZNQCLSA-N 1 2 324.425 0.980 10 0 DCAELO Cc1cc(C)n(CCCNC(=O)NC[C@@H](C)[NH+]2CCOCC2)n1 ZINC000047722826 415280828 /nfs/dbraw/zinc/28/08/28/415280828.db2.gz RTERPGQUTVHOBO-OAHLLOKOSA-N 1 2 323.441 0.910 10 0 DCAELO Cc1ccc(F)c(CN2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)c1 ZINC000275545952 415377254 /nfs/dbraw/zinc/37/72/54/415377254.db2.gz FTUPQCRBISWPJS-CQSZACIVSA-N 1 2 309.385 0.752 10 0 DCAELO Cc1ccc(F)c(CN2CCO[C@H](C[N@H+](C)CC(N)=O)C2)c1 ZINC000275545952 415377262 /nfs/dbraw/zinc/37/72/62/415377262.db2.gz FTUPQCRBISWPJS-CQSZACIVSA-N 1 2 309.385 0.752 10 0 DCAELO C[C@@H]1C[N@H+](C)CCN1CC1=NS(=O)(=O)c2ccccc2N1 ZINC000089939210 415526991 /nfs/dbraw/zinc/52/69/91/415526991.db2.gz JSGPNMNLMCGHOC-LLVKDONJSA-N 1 2 308.407 0.835 10 0 DCAELO C[C@@H]1C[N@@H+](C)CCN1CC1=NS(=O)(=O)c2ccccc2N1 ZINC000089939210 415527002 /nfs/dbraw/zinc/52/70/02/415527002.db2.gz JSGPNMNLMCGHOC-LLVKDONJSA-N 1 2 308.407 0.835 10 0 DCAELO Cc1[nH]nc2ncc(C(=O)N3CC[C@@H]4OCC[N@@H+](C)[C@H]4C3)cc12 ZINC000284761301 415601839 /nfs/dbraw/zinc/60/18/39/415601839.db2.gz SCBGWLRAOOQJFH-KBPBESRZSA-N 1 2 315.377 0.811 10 0 DCAELO Cc1[nH]nc2ncc(C(=O)N3CC[C@@H]4OCC[N@H+](C)[C@H]4C3)cc12 ZINC000284761301 415601845 /nfs/dbraw/zinc/60/18/45/415601845.db2.gz SCBGWLRAOOQJFH-KBPBESRZSA-N 1 2 315.377 0.811 10 0 DCAELO COc1ccc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c(O)c1 ZINC000105569931 415629555 /nfs/dbraw/zinc/62/95/55/415629555.db2.gz LJDQDQQUIXLMCA-LBPRGKRZSA-N 1 2 306.362 0.948 10 0 DCAELO COc1cccc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1O ZINC000105569935 415633017 /nfs/dbraw/zinc/63/30/17/415633017.db2.gz OUGZATYPZPQOPS-LBPRGKRZSA-N 1 2 306.362 0.948 10 0 DCAELO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)C[C@@H]2CCCCO2)CC1 ZINC000123234805 415839360 /nfs/dbraw/zinc/83/93/60/415839360.db2.gz HAEOZTDRBBKJBZ-KGLIPLIRSA-N 1 2 320.455 0.274 10 0 DCAELO CN1CC[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C(C)(C)C1=O ZINC000129827970 415912331 /nfs/dbraw/zinc/91/23/31/415912331.db2.gz FHWYSZGJCPVURA-LBPRGKRZSA-N 1 2 317.455 0.211 10 0 DCAELO CN1CC[N@@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C(C)(C)C1=O ZINC000129827970 415912336 /nfs/dbraw/zinc/91/23/36/415912336.db2.gz FHWYSZGJCPVURA-LBPRGKRZSA-N 1 2 317.455 0.211 10 0 DCAELO CN(C)c1ncc(NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cn1 ZINC000155086636 415993682 /nfs/dbraw/zinc/99/36/82/415993682.db2.gz OINKCVLQZDDVQL-CYBMUJFWSA-N 1 2 320.397 0.481 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)NCCCO)nc[nH+]1 ZINC000173422213 416058572 /nfs/dbraw/zinc/05/85/72/416058572.db2.gz RZLSTYOJZNFQQI-NSHDSACASA-N 1 2 308.386 0.169 10 0 DCAELO CNc1cc(N2CCC[C@H]2CNC(=O)NCCCO)[nH+]cn1 ZINC000173422213 416058576 /nfs/dbraw/zinc/05/85/76/416058576.db2.gz RZLSTYOJZNFQQI-NSHDSACASA-N 1 2 308.386 0.169 10 0 DCAELO CCCNC(=O)CCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173789900 416065706 /nfs/dbraw/zinc/06/57/06/416065706.db2.gz TXSORZHLXIWBHR-CYBMUJFWSA-N 1 2 312.414 0.019 10 0 DCAELO CN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173985587 416070619 /nfs/dbraw/zinc/07/06/19/416070619.db2.gz HGZMKBQBJFPPTM-NSHDSACASA-N 1 2 309.332 0.414 10 0 DCAELO CN(CC(F)(F)F)C(=O)C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173985587 416070620 /nfs/dbraw/zinc/07/06/20/416070620.db2.gz HGZMKBQBJFPPTM-NSHDSACASA-N 1 2 309.332 0.414 10 0 DCAELO CN(CC(F)(F)F)C(=O)CN1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173985587 416070623 /nfs/dbraw/zinc/07/06/23/416070623.db2.gz HGZMKBQBJFPPTM-NSHDSACASA-N 1 2 309.332 0.414 10 0 DCAELO COc1ccc(OC)c(C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)c1 ZINC000357385967 416071004 /nfs/dbraw/zinc/07/10/04/416071004.db2.gz BIXLGQVIGDMWSH-GFCCVEGCSA-N 1 2 300.380 0.567 10 0 DCAELO COc1ccc(OC)c(C[N@H+]2CC[C@@H](S(N)(=O)=O)C2)c1 ZINC000357385967 416071006 /nfs/dbraw/zinc/07/10/06/416071006.db2.gz BIXLGQVIGDMWSH-GFCCVEGCSA-N 1 2 300.380 0.567 10 0 DCAELO Cc1ccc([C@@H]2C[N@H+](CCCN3C(=O)CNC3=O)CCO2)o1 ZINC000158873960 416005667 /nfs/dbraw/zinc/00/56/67/416005667.db2.gz RIOAJXLLDPPQOW-ZDUSSCGKSA-N 1 2 307.350 0.903 10 0 DCAELO Cc1ccc([C@@H]2C[N@@H+](CCCN3C(=O)CNC3=O)CCO2)o1 ZINC000158873960 416005671 /nfs/dbraw/zinc/00/56/71/416005671.db2.gz RIOAJXLLDPPQOW-ZDUSSCGKSA-N 1 2 307.350 0.903 10 0 DCAELO CC(C)NC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2cccnn2)CC1 ZINC000170649909 416026971 /nfs/dbraw/zinc/02/69/71/416026971.db2.gz LVCDXQCALBEZIR-GFCCVEGCSA-N 1 2 320.397 0.221 10 0 DCAELO CN1C(=O)C[C@H](C(=O)NCCc2[nH]cc[nH+]2)[C@@H]1c1cccnc1 ZINC000174755213 416086452 /nfs/dbraw/zinc/08/64/52/416086452.db2.gz MGOFCURQVXGZGN-WFASDCNBSA-N 1 2 313.361 0.683 10 0 DCAELO NC(=O)c1c[nH]c(C(=O)NCc2cccnc2-n2cc[nH+]c2)c1 ZINC000175912699 416116886 /nfs/dbraw/zinc/11/68/86/416116886.db2.gz NPMMVSNDNBNOEW-UHFFFAOYSA-N 1 2 310.317 0.624 10 0 DCAELO Cc1nnc(NC(=O)N2CCN(C)[C@H](c3[nH]cc[nH+]3)C2)s1 ZINC000328619752 416123685 /nfs/dbraw/zinc/12/36/85/416123685.db2.gz GEDWJMNIECHEIW-VIFPVBQESA-N 1 2 307.383 1.090 10 0 DCAELO CC1CCN(S(=O)(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000328841198 416133745 /nfs/dbraw/zinc/13/37/45/416133745.db2.gz PIICOFYOHDPVMP-KBPBESRZSA-N 1 2 317.455 0.368 10 0 DCAELO CC1CCN(S(=O)(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000328841198 416133748 /nfs/dbraw/zinc/13/37/48/416133748.db2.gz PIICOFYOHDPVMP-KBPBESRZSA-N 1 2 317.455 0.368 10 0 DCAELO Cc1ccc(O)c(C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c1 ZINC000176901569 416136296 /nfs/dbraw/zinc/13/62/96/416136296.db2.gz RDHUOEKNCURBTC-INIZCTEOSA-N 1 2 308.378 0.514 10 0 DCAELO CNC(=O)Cc1nc(C[N@@H+]2CCC[C@H](C(=O)OC)C2)cs1 ZINC000177594190 416147465 /nfs/dbraw/zinc/14/74/65/416147465.db2.gz QOBNLWCFVPSFDO-JTQLQIEISA-N 1 2 311.407 0.817 10 0 DCAELO CNC(=O)Cc1nc(C[N@H+]2CCC[C@H](C(=O)OC)C2)cs1 ZINC000177594190 416147467 /nfs/dbraw/zinc/14/74/67/416147467.db2.gz QOBNLWCFVPSFDO-JTQLQIEISA-N 1 2 311.407 0.817 10 0 DCAELO CCS(=O)(=O)N(C)CC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177809142 416153451 /nfs/dbraw/zinc/15/34/51/416153451.db2.gz KEJKDWKRYKJDRD-GFCCVEGCSA-N 1 2 314.411 0.156 10 0 DCAELO COC(=O)Nc1ccccc1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178968790 416179431 /nfs/dbraw/zinc/17/94/31/416179431.db2.gz YWWNFTOCBZQSGM-LBPRGKRZSA-N 1 2 318.377 0.595 10 0 DCAELO Cc1ccc(F)c(NC(=O)C(=O)NC[C@@H]2C[NH+]3CCN2CC3)c1 ZINC000178960258 416179533 /nfs/dbraw/zinc/17/95/33/416179533.db2.gz FLNFLPBYGBJUED-GFCCVEGCSA-N 1 2 320.368 0.189 10 0 DCAELO O=C(/C=C/c1ccnc(Cl)c1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000179101078 416182623 /nfs/dbraw/zinc/18/26/23/416182623.db2.gz CROTZQOGHVTDRD-AORQRIRUSA-N 1 2 306.797 0.864 10 0 DCAELO CCCS(=O)(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000179676150 416191072 /nfs/dbraw/zinc/19/10/72/416191072.db2.gz GFDOTAIJUIHOSF-CQSZACIVSA-N 1 2 303.472 0.828 10 0 DCAELO CCc1nn(C)cc1C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000180325045 416195813 /nfs/dbraw/zinc/19/58/13/416195813.db2.gz UFVNBKNGAHSIQN-DOMZBBRYSA-N 1 2 306.410 0.775 10 0 DCAELO CN(C)c1[nH+]cccc1CNC(=O)NCC(=O)NCC1CC1 ZINC000180528008 416196989 /nfs/dbraw/zinc/19/69/89/416196989.db2.gz QYJXAFKOEUFROZ-UHFFFAOYSA-N 1 2 305.382 0.473 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)Cc2ccc3c(c2)NC(=O)C3)C1 ZINC000182377146 416220924 /nfs/dbraw/zinc/22/09/24/416220924.db2.gz LLGJPPUFIUYJSC-CYBMUJFWSA-N 1 2 303.362 0.171 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)Cc2ccc3c(c2)NC(=O)C3)C1 ZINC000182377146 416220927 /nfs/dbraw/zinc/22/09/27/416220927.db2.gz LLGJPPUFIUYJSC-CYBMUJFWSA-N 1 2 303.362 0.171 10 0 DCAELO C[C@@H](O)CN(C(=O)NCc1ccc[nH+]c1N(C)C)[C@H](C)CO ZINC000190278041 416277960 /nfs/dbraw/zinc/27/79/60/416277960.db2.gz JKUXDAFXJXYLSO-VXGBXAGGSA-N 1 2 310.398 0.421 10 0 DCAELO CC[N@H+](CCS(C)(=O)=O)Cc1cc(-c2cnn(C)c2)no1 ZINC000185041904 416252467 /nfs/dbraw/zinc/25/24/67/416252467.db2.gz SEZDOTPAUZFJRN-UHFFFAOYSA-N 1 2 312.395 0.942 10 0 DCAELO CC[N@@H+](CCS(C)(=O)=O)Cc1cc(-c2cnn(C)c2)no1 ZINC000185041904 416252468 /nfs/dbraw/zinc/25/24/68/416252468.db2.gz SEZDOTPAUZFJRN-UHFFFAOYSA-N 1 2 312.395 0.942 10 0 DCAELO OCC1CN(c2nc(N3CC(CO)C3)c3ccccc3[nH+]2)C1 ZINC000192180086 416300760 /nfs/dbraw/zinc/30/07/60/416300760.db2.gz OBMJFVNUOOFNIS-UHFFFAOYSA-N 1 2 300.362 0.487 10 0 DCAELO COCCOc1ccc(CC(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000191999037 416294964 /nfs/dbraw/zinc/29/49/64/416294964.db2.gz OYQARACXLCOOPV-MRXNPFEDSA-N 1 2 322.405 0.701 10 0 DCAELO COCCOc1ccc(CC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000191999037 416294966 /nfs/dbraw/zinc/29/49/66/416294966.db2.gz OYQARACXLCOOPV-MRXNPFEDSA-N 1 2 322.405 0.701 10 0 DCAELO OC[C@@H]1CCCN(c2cc(NC[C@H](O)C(F)F)[nH+]cn2)C1 ZINC000435590920 416525066 /nfs/dbraw/zinc/52/50/66/416525066.db2.gz ANFFNKFLHCJHTH-ZJUUUORDSA-N 1 2 302.325 0.723 10 0 DCAELO OC[C@@H]1CCCN(c2cc(NC[C@H](O)C(F)F)nc[nH+]2)C1 ZINC000435590920 416525071 /nfs/dbraw/zinc/52/50/71/416525071.db2.gz ANFFNKFLHCJHTH-ZJUUUORDSA-N 1 2 302.325 0.723 10 0 DCAELO OC[C@H]1CCCN(c2cc(NC[C@@H](O)C(F)F)[nH+]cn2)C1 ZINC000435590919 416526845 /nfs/dbraw/zinc/52/68/45/416526845.db2.gz ANFFNKFLHCJHTH-VHSXEESVSA-N 1 2 302.325 0.723 10 0 DCAELO OC[C@H]1CCCN(c2cc(NC[C@@H](O)C(F)F)nc[nH+]2)C1 ZINC000435590919 416526849 /nfs/dbraw/zinc/52/68/49/416526849.db2.gz ANFFNKFLHCJHTH-VHSXEESVSA-N 1 2 302.325 0.723 10 0 DCAELO O=C1Nc2ccccc2CC[C@@H]1[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000361769978 416494801 /nfs/dbraw/zinc/49/48/01/416494801.db2.gz VEDQSZGRDCTKAF-HOCLYGCPSA-N 1 2 301.390 0.956 10 0 DCAELO O=C1Nc2ccccc2CC[C@@H]1[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000361769978 416494806 /nfs/dbraw/zinc/49/48/06/416494806.db2.gz VEDQSZGRDCTKAF-HOCLYGCPSA-N 1 2 301.390 0.956 10 0 DCAELO C[C@H]1C[N@@H+]([C@@H]2CCc3ccccc3NC2=O)CCN1CCO ZINC000364588044 416589588 /nfs/dbraw/zinc/58/95/88/416589588.db2.gz OLMKZJCWGGOELO-XJKSGUPXSA-N 1 2 303.406 0.938 10 0 DCAELO C[C@H]1C[N@H+]([C@@H]2CCc3ccccc3NC2=O)CCN1CCO ZINC000364588044 416589592 /nfs/dbraw/zinc/58/95/92/416589592.db2.gz OLMKZJCWGGOELO-XJKSGUPXSA-N 1 2 303.406 0.938 10 0 DCAELO O=c1cc(C[N@@H+]2CCN3CCOC[C@H]3C2)nc2sccn21 ZINC000368819776 416695620 /nfs/dbraw/zinc/69/56/20/416695620.db2.gz XTMGJSWNPFYYDO-GFCCVEGCSA-N 1 2 306.391 0.272 10 0 DCAELO O=c1cc(C[N@H+]2CCN3CCOC[C@H]3C2)nc2sccn21 ZINC000368819776 416695623 /nfs/dbraw/zinc/69/56/23/416695623.db2.gz XTMGJSWNPFYYDO-GFCCVEGCSA-N 1 2 306.391 0.272 10 0 DCAELO Cc1cccc(CNC(=O)C[N@@H+]2CCN3CCOC[C@H]3C2)c1 ZINC000368815282 416696040 /nfs/dbraw/zinc/69/60/40/416696040.db2.gz BEPSAEAIHLBSQE-MRXNPFEDSA-N 1 2 303.406 0.628 10 0 DCAELO Cc1cccc(CNC(=O)C[N@H+]2CCN3CCOC[C@H]3C2)c1 ZINC000368815282 416696044 /nfs/dbraw/zinc/69/60/44/416696044.db2.gz BEPSAEAIHLBSQE-MRXNPFEDSA-N 1 2 303.406 0.628 10 0 DCAELO O=C(C[N@H+]1C[C@H](F)C[C@@H]1CO)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000372897651 416945245 /nfs/dbraw/zinc/94/52/45/416945245.db2.gz OIVDKBFMYSZADU-YIYPIFLZSA-N 1 2 300.374 0.561 10 0 DCAELO O=C(C[N@@H+]1C[C@H](F)C[C@@H]1CO)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000372897651 416945249 /nfs/dbraw/zinc/94/52/49/416945249.db2.gz OIVDKBFMYSZADU-YIYPIFLZSA-N 1 2 300.374 0.561 10 0 DCAELO Nc1[nH+]cccc1[C@H]1CNc2ccccc2N1S(N)(=O)=O ZINC000616682073 417093055 /nfs/dbraw/zinc/09/30/55/417093055.db2.gz DTWMWQOFMMFQIS-GFCCVEGCSA-N 1 2 305.363 0.841 10 0 DCAELO Cn1cc[nH+]c1[C@@H](NC(=O)CN1CCCNC1=O)C(C)(C)CO ZINC000616870220 417124343 /nfs/dbraw/zinc/12/43/43/417124343.db2.gz OUAZHRDMFGYUDS-GFCCVEGCSA-N 1 2 323.397 0.011 10 0 DCAELO CC(C)N1CCC[C@@H]([N@H+](C)C[C@@H]2CCS(=O)(=O)C2)C1=O ZINC000407950616 417128402 /nfs/dbraw/zinc/12/84/02/417128402.db2.gz BSQCXDMTVHLETC-QWHCGFSZSA-N 1 2 302.440 0.752 10 0 DCAELO CC(C)N1CCC[C@@H]([N@@H+](C)C[C@@H]2CCS(=O)(=O)C2)C1=O ZINC000407950616 417128408 /nfs/dbraw/zinc/12/84/08/417128408.db2.gz BSQCXDMTVHLETC-QWHCGFSZSA-N 1 2 302.440 0.752 10 0 DCAELO COC[C@@]1(CO)CCN(c2nc(C(C)C)[nH+]c(N(C)C)n2)C1 ZINC000450891689 417277924 /nfs/dbraw/zinc/27/79/24/417277924.db2.gz BCPDGUNQFZKDAW-HNNXBMFYSA-N 1 2 309.414 0.896 10 0 DCAELO COC[C@@]1(CO)CCN(c2nc(N(C)C)nc(C(C)C)[nH+]2)C1 ZINC000450891689 417277931 /nfs/dbraw/zinc/27/79/31/417277931.db2.gz BCPDGUNQFZKDAW-HNNXBMFYSA-N 1 2 309.414 0.896 10 0 DCAELO CC(C)(C)n1cc(C(=O)C(=O)NCC[N@@H+]2CCCOCC2)cn1 ZINC000438686032 287374541 /nfs/dbraw/zinc/37/45/41/287374541.db2.gz JUNFAJCWHYJVSO-UHFFFAOYSA-N 1 2 322.409 0.659 10 0 DCAELO CC(C)(C)n1cc(C(=O)C(=O)NCC[N@H+]2CCCOCC2)cn1 ZINC000438686032 287374542 /nfs/dbraw/zinc/37/45/42/287374542.db2.gz JUNFAJCWHYJVSO-UHFFFAOYSA-N 1 2 322.409 0.659 10 0 DCAELO C[C@@]1(O)CCCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000575147424 417517903 /nfs/dbraw/zinc/51/79/03/417517903.db2.gz XTUYLFXDPCWXLN-OAHLLOKOSA-N 1 2 302.334 0.646 10 0 DCAELO NC(=O)[C@@H]1C[N@H+](CC(=O)NCc2ccco2)C[C@H]1C(F)(F)F ZINC000299740514 229375226 /nfs/dbraw/zinc/37/52/26/229375226.db2.gz BGIHQKBABWVEDK-NXEZZACHSA-N 1 2 319.283 0.491 10 0 DCAELO NC(=O)[C@@H]1C[N@@H+](CC(=O)NCc2ccco2)C[C@H]1C(F)(F)F ZINC000299740514 229375231 /nfs/dbraw/zinc/37/52/31/229375231.db2.gz BGIHQKBABWVEDK-NXEZZACHSA-N 1 2 319.283 0.491 10 0 DCAELO CCC1(CC)CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC[S@@]1=O ZINC000183850621 261117576 /nfs/dbraw/zinc/11/75/76/261117576.db2.gz ABYIHVILFWIBNC-YUNKPMOVSA-N 1 2 302.440 0.467 10 0 DCAELO CCC1(CC)CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC[S@@]1=O ZINC000183850621 261117578 /nfs/dbraw/zinc/11/75/78/261117578.db2.gz ABYIHVILFWIBNC-YUNKPMOVSA-N 1 2 302.440 0.467 10 0 DCAELO C[C@H]1C(=O)N(C)CCN1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000186187782 261121395 /nfs/dbraw/zinc/12/13/95/261121395.db2.gz NYZXGKBUVXNPFD-NSHDSACASA-N 1 2 305.382 0.520 10 0 DCAELO CN1CC[NH+](Cc2cccc(NC(=O)[C@@H]3CNC(=O)C3)c2)CC1 ZINC000194826078 261148935 /nfs/dbraw/zinc/14/89/35/261148935.db2.gz HIAOMTSFKXNDNO-AWEZNQCLSA-N 1 2 316.405 0.509 10 0 DCAELO C[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@H](CO)c1ccccc1 ZINC000489212450 272058800 /nfs/dbraw/zinc/05/88/00/272058800.db2.gz YYKZYBBGQJDRBF-GOEBONIOSA-N 1 2 321.421 0.782 10 0 DCAELO C[C@H]1COCC[N@H+]1CCNC(=O)NC[C@H](CO)c1ccccc1 ZINC000489212450 272058803 /nfs/dbraw/zinc/05/88/03/272058803.db2.gz YYKZYBBGQJDRBF-GOEBONIOSA-N 1 2 321.421 0.782 10 0 DCAELO O=C(NCCCc1nnc2ccccn21)NCCn1cc[nH+]c1 ZINC000489466659 272063157 /nfs/dbraw/zinc/06/31/57/272063157.db2.gz RJIMVYLORJXQCR-UHFFFAOYSA-N 1 2 313.365 0.858 10 0 DCAELO COC(=O)C(C)(C)N1CC[NH+]([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000494427632 272221774 /nfs/dbraw/zinc/22/17/74/272221774.db2.gz UHBYGRWDXFSVAH-CQSZACIVSA-N 1 2 319.405 0.782 10 0 DCAELO CCN1CC[N@@H+]([C@@H]2CCN(C3CC3)C2=O)C[C@@H]1c1ncc[nH]1 ZINC000329964554 279368925 /nfs/dbraw/zinc/36/89/25/279368925.db2.gz UNKXGWMOCDMSRX-ZIAGYGMSSA-N 1 2 303.410 0.852 10 0 DCAELO CCN1CC[N@H+]([C@@H]2CCN(C3CC3)C2=O)C[C@@H]1c1ncc[nH]1 ZINC000329964554 279368927 /nfs/dbraw/zinc/36/89/27/279368927.db2.gz UNKXGWMOCDMSRX-ZIAGYGMSSA-N 1 2 303.410 0.852 10 0 DCAELO CC(C)[C@H](C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1)N1CCCC1=O ZINC000328889054 280157671 /nfs/dbraw/zinc/15/76/71/280157671.db2.gz QNOMTPNKYNFMDE-IJEWVQPXSA-N 1 2 323.437 0.565 10 0 DCAELO CC(C)[C@H](C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1)N1CCCC1=O ZINC000328889054 280157675 /nfs/dbraw/zinc/15/76/75/280157675.db2.gz QNOMTPNKYNFMDE-IJEWVQPXSA-N 1 2 323.437 0.565 10 0 DCAELO C[C@@H]1CN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CCCO1 ZINC000552742379 288279897 /nfs/dbraw/zinc/27/98/97/288279897.db2.gz PIDQEDBPCZMUEP-LLVKDONJSA-N 1 2 302.334 0.910 10 0 DCAELO C[C@H](O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000557384371 288418507 /nfs/dbraw/zinc/41/85/07/288418507.db2.gz IZALRULIHYJVHW-NWDGAFQWSA-N 1 2 316.361 0.892 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(S(=O)(=O)NC3CCCC3)C[C@@H]21 ZINC000329821263 290087434 /nfs/dbraw/zinc/08/74/34/290087434.db2.gz HCLNKQVIPJNCJH-QWHCGFSZSA-N 1 2 303.428 0.168 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(S(=O)(=O)NC3CCCC3)C[C@@H]21 ZINC000329821263 290087437 /nfs/dbraw/zinc/08/74/37/290087437.db2.gz HCLNKQVIPJNCJH-QWHCGFSZSA-N 1 2 303.428 0.168 10 0 DCAELO CNC(=O)CC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000132339486 290365995 /nfs/dbraw/zinc/36/59/95/290365995.db2.gz NVKZIWDOWBUUNE-HNNXBMFYSA-N 1 2 319.405 0.621 10 0 DCAELO CNC(=O)CC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000132339324 290366362 /nfs/dbraw/zinc/36/63/62/290366362.db2.gz NVKZIWDOWBUUNE-OAHLLOKOSA-N 1 2 319.405 0.621 10 0 DCAELO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)CC[S@](C)=O)C[C@H](C)O1 ZINC000154980859 297013653 /nfs/dbraw/zinc/01/36/53/297013653.db2.gz GNWPPUXILCOBDJ-HSAVKHBNSA-N 1 2 316.467 0.855 10 0 DCAELO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)CC[S@](C)=O)C[C@H](C)O1 ZINC000154980859 297013655 /nfs/dbraw/zinc/01/36/55/297013655.db2.gz GNWPPUXILCOBDJ-HSAVKHBNSA-N 1 2 316.467 0.855 10 0 DCAELO Cn1ccc(N2CCC[C@H]([N@@H+]3CCc4cncnc4C3)C2=O)n1 ZINC000333571879 294349009 /nfs/dbraw/zinc/34/90/09/294349009.db2.gz UGTQNYRFYAWHTP-AWEZNQCLSA-N 1 2 312.377 0.764 10 0 DCAELO Cn1ccc(N2CCC[C@H]([N@H+]3CCc4cncnc4C3)C2=O)n1 ZINC000333571879 294349014 /nfs/dbraw/zinc/34/90/14/294349014.db2.gz UGTQNYRFYAWHTP-AWEZNQCLSA-N 1 2 312.377 0.764 10 0 DCAELO NC(=O)[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000246795182 295099820 /nfs/dbraw/zinc/09/98/20/295099820.db2.gz ATZVUVQQECVYIT-HUUCEWRRSA-N 1 2 307.369 0.759 10 0 DCAELO NC(=O)[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000246795182 295099823 /nfs/dbraw/zinc/09/98/23/295099823.db2.gz ATZVUVQQECVYIT-HUUCEWRRSA-N 1 2 307.369 0.759 10 0 DCAELO NC(=O)[C@@H](c1ccc(F)cc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000246795182 295099826 /nfs/dbraw/zinc/09/98/26/295099826.db2.gz ATZVUVQQECVYIT-HUUCEWRRSA-N 1 2 307.369 0.759 10 0 DCAELO Cc1n[nH]c(C)c1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000181703248 302484044 /nfs/dbraw/zinc/48/40/44/302484044.db2.gz AHNWKVZCQGNKQU-GFCCVEGCSA-N 1 2 324.410 0.095 10 0 DCAELO C[C@H](Cn1cncn1)NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000332810618 332876393 /nfs/dbraw/zinc/87/63/93/332876393.db2.gz WTDACQITTMYRIS-AGIUHOORSA-N 1 2 310.402 0.075 10 0 DCAELO CC(C)Oc1cc(CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)ccn1 ZINC000155540096 519777804 /nfs/dbraw/zinc/77/78/04/519777804.db2.gz GZMYNNZTVSIBAC-CQSZACIVSA-N 1 2 322.409 0.999 10 0 DCAELO CC(C)Oc1cc(CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)ccn1 ZINC000155540096 519777805 /nfs/dbraw/zinc/77/78/05/519777805.db2.gz GZMYNNZTVSIBAC-CQSZACIVSA-N 1 2 322.409 0.999 10 0 DCAELO O=C([C@@H]1C[C@@H](F)C[N@H+]1Cc1ccc(CO)cc1)N1CCOCC1 ZINC000299743775 534599344 /nfs/dbraw/zinc/59/93/44/534599344.db2.gz MCUVDSLZCTWLPE-CVEARBPZSA-N 1 2 322.380 0.950 10 0 DCAELO O=C([C@@H]1C[C@@H](F)C[N@@H+]1Cc1ccc(CO)cc1)N1CCOCC1 ZINC000299743775 534599346 /nfs/dbraw/zinc/59/93/46/534599346.db2.gz MCUVDSLZCTWLPE-CVEARBPZSA-N 1 2 322.380 0.950 10 0 DCAELO Cc1cncc(C[NH+]2CCN(CC(=O)N3CCOCC3)CC2)c1 ZINC000189755423 526193253 /nfs/dbraw/zinc/19/32/53/526193253.db2.gz KLXWQDJQEHQMSD-UHFFFAOYSA-N 1 2 318.421 0.366 10 0 DCAELO Cc1cnn(Cc2cc(C(=O)NC[C@@H]3C[N@H+](C)CCO3)no2)c1 ZINC000124867158 526265449 /nfs/dbraw/zinc/26/54/49/526265449.db2.gz NSQMZBPKMDYJMD-CYBMUJFWSA-N 1 2 319.365 0.288 10 0 DCAELO Cc1cnn(Cc2cc(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)no2)c1 ZINC000124867158 526265452 /nfs/dbraw/zinc/26/54/52/526265452.db2.gz NSQMZBPKMDYJMD-CYBMUJFWSA-N 1 2 319.365 0.288 10 0 DCAELO O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)N1CC(CO)C1 ZINC000191040232 526492249 /nfs/dbraw/zinc/49/22/49/526492249.db2.gz YUKCBAGDHQYECV-INIZCTEOSA-N 1 2 319.405 0.694 10 0 DCAELO CC(=O)N1CC[C@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000175248502 526656701 /nfs/dbraw/zinc/65/67/01/526656701.db2.gz PVGLIUPVJATORF-AWEZNQCLSA-N 1 2 302.378 0.599 10 0 DCAELO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3nc(N)nc(N)n3)C2)n1 ZINC000105884932 526763147 /nfs/dbraw/zinc/76/31/47/526763147.db2.gz LRFAVRQJCLMQGC-NSHDSACASA-N 1 2 317.401 0.157 10 0 DCAELO Cc1nc(C)n(C[C@H]2CCC[N@@H+](Cc3nc(N)nc(N)n3)C2)n1 ZINC000105884932 526763151 /nfs/dbraw/zinc/76/31/51/526763151.db2.gz LRFAVRQJCLMQGC-NSHDSACASA-N 1 2 317.401 0.157 10 0 DCAELO O=C(NC1C[NH+](C[C@@H](O)COCc2cccs2)C1)C1CC1 ZINC000187982641 527543808 /nfs/dbraw/zinc/54/38/08/527543808.db2.gz CPPVTZOMJHRECL-CYBMUJFWSA-N 1 2 310.419 0.836 10 0 DCAELO CN(C(=O)NC[C@H]1C[N@H+](C)CCO1)[C@@H]1CCCc2c1cnn2C ZINC000158465359 545856200 /nfs/dbraw/zinc/85/62/00/545856200.db2.gz ULZUABBPGIJWTD-GXTWGEPZSA-N 1 2 321.425 0.770 10 0 DCAELO CN(C(=O)NC[C@H]1C[N@@H+](C)CCO1)[C@@H]1CCCc2c1cnn2C ZINC000158465359 545856205 /nfs/dbraw/zinc/85/62/05/545856205.db2.gz ULZUABBPGIJWTD-GXTWGEPZSA-N 1 2 321.425 0.770 10 0 DCAELO C[C@@H](CNC(=O)c1ccc(-c2nc[nH]n2)cc1)[NH+]1CCOCC1 ZINC000184386225 545910827 /nfs/dbraw/zinc/91/08/27/545910827.db2.gz DKPRSWUHCCGZIG-LBPRGKRZSA-N 1 2 315.377 0.922 10 0 DCAELO C[C@H]1C[N@H+](C[C@@H](O)CN2CCCC2=O)CCN1CC(F)(F)F ZINC000245654324 545962122 /nfs/dbraw/zinc/96/21/22/545962122.db2.gz DDPPXTPXDGNEOC-NWDGAFQWSA-N 1 2 323.359 0.538 10 0 DCAELO C[C@H]1C[N@@H+](C[C@@H](O)CN2CCCC2=O)CCN1CC(F)(F)F ZINC000245654324 545962127 /nfs/dbraw/zinc/96/21/27/545962127.db2.gz DDPPXTPXDGNEOC-NWDGAFQWSA-N 1 2 323.359 0.538 10 0 DCAELO CC(C)C(=O)N1CCC[C@@H]1C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000181616758 665628346 /nfs/dbraw/zinc/62/83/46/665628346.db2.gz OJEALPGAKSMLEE-ZIAGYGMSSA-N 1 2 312.410 0.897 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)/C=C/c2ccccc2)CC[N@@H+]1CCO ZINC000188720419 659342682 /nfs/dbraw/zinc/34/26/82/659342682.db2.gz DUCIBBRQUDOBRZ-WEKMIXOTSA-N 1 2 310.419 0.986 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)/C=C/c2ccccc2)CC[N@H+]1CCO ZINC000188720419 659342687 /nfs/dbraw/zinc/34/26/87/659342687.db2.gz DUCIBBRQUDOBRZ-WEKMIXOTSA-N 1 2 310.419 0.986 10 0 DCAELO O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262927474 662599931 /nfs/dbraw/zinc/59/99/31/662599931.db2.gz HOIBBPQTKXUAIO-ZYHUDNBSSA-N 1 2 309.316 0.905 10 0 DCAELO CCCNC(=O)CCCC(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000179515460 665379510 /nfs/dbraw/zinc/37/95/10/665379510.db2.gz CMBWLODCOODPIN-CYBMUJFWSA-N 1 2 300.399 0.947 10 0 DCAELO CCn1cccc1C[NH+]1CCN([C@@]2(C(N)=O)CCOC2)CC1 ZINC000886026696 667725631 /nfs/dbraw/zinc/72/56/31/667725631.db2.gz KEZHARCSLDXCMP-INIZCTEOSA-N 1 2 306.410 0.270 10 0 DCAELO Cn1cc([C@H]2CC[N@H+](Cn3c4cnccc4n(C)c3=O)C2)cn1 ZINC000159950148 669944964 /nfs/dbraw/zinc/94/49/64/669944964.db2.gz ZCERBAVJYGNQAK-LBPRGKRZSA-N 1 2 312.377 0.916 10 0 DCAELO Cn1cc([C@H]2CC[N@@H+](Cn3c4cnccc4n(C)c3=O)C2)cn1 ZINC000159950148 669944968 /nfs/dbraw/zinc/94/49/68/669944968.db2.gz ZCERBAVJYGNQAK-LBPRGKRZSA-N 1 2 312.377 0.916 10 0 DCAELO COCCOC[C@@H](O)C[N@@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC000712804787 670150733 /nfs/dbraw/zinc/15/07/33/670150733.db2.gz ZAAQSZGQWBHUKO-QWRGUYRKSA-N 1 2 301.305 0.664 10 0 DCAELO COCCOC[C@@H](O)C[N@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC000712804787 670150735 /nfs/dbraw/zinc/15/07/35/670150735.db2.gz ZAAQSZGQWBHUKO-QWRGUYRKSA-N 1 2 301.305 0.664 10 0 DCAELO Cn1cc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)c(Br)n1 ZINC000714082318 670177500 /nfs/dbraw/zinc/17/75/00/670177500.db2.gz NZWMEKASSGZKKA-ZJUUUORDSA-N 1 2 304.188 0.358 10 0 DCAELO Cn1cc(C[N@H+]2CC[C@H](O)[C@@H](CO)C2)c(Br)n1 ZINC000714082318 670177501 /nfs/dbraw/zinc/17/75/01/670177501.db2.gz NZWMEKASSGZKKA-ZJUUUORDSA-N 1 2 304.188 0.358 10 0 DCAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1scnc1C1CC1 ZINC000090022837 185278639 /nfs/dbraw/zinc/27/86/39/185278639.db2.gz QVVYCGCWYBKTFA-LLVKDONJSA-N 1 2 311.407 0.443 10 0 DCAELO COc1c(C)cc(C(=O)NC[C@H](O)C[NH+]2CCOCC2)cc1C ZINC000179730956 186211637 /nfs/dbraw/zinc/21/16/37/186211637.db2.gz FABVIKYWULSQIV-HNNXBMFYSA-N 1 2 322.405 0.735 10 0 DCAELO O=C(c1cc([C@H]2CCCC[N@H+]2CCO)[nH]n1)N1CCOCC1 ZINC000072380451 191142401 /nfs/dbraw/zinc/14/24/01/191142401.db2.gz FAVYQNAKXJCMNY-CQSZACIVSA-N 1 2 308.382 0.401 10 0 DCAELO O=C(c1cc([C@H]2CCCC[N@@H+]2CCO)[nH]n1)N1CCOCC1 ZINC000072380451 191142402 /nfs/dbraw/zinc/14/24/02/191142402.db2.gz FAVYQNAKXJCMNY-CQSZACIVSA-N 1 2 308.382 0.401 10 0 DCAELO Cc1c(F)cccc1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000072610241 191201614 /nfs/dbraw/zinc/20/16/14/191201614.db2.gz ZXPPNPYTKMHWFK-LLVKDONJSA-N 1 2 323.368 0.910 10 0 DCAELO C[C@@H](C(=O)NCC(F)(F)F)[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000072554088 191192030 /nfs/dbraw/zinc/19/20/30/191192030.db2.gz WKPSCJFKPPJFQK-VIFPVBQESA-N 1 2 309.332 0.854 10 0 DCAELO CCN(C)S(=O)(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000072677010 191212694 /nfs/dbraw/zinc/21/26/94/191212694.db2.gz ORWZOWFOXLIUJS-ZDUSSCGKSA-N 1 2 307.460 0.519 10 0 DCAELO CS(=O)(=O)N[C@@H]1CC[N@H+](C[C@H](O)c2cccc(Cl)c2)C1 ZINC000173763078 198248992 /nfs/dbraw/zinc/24/89/92/198248992.db2.gz RXBNGMKWTIUNOF-OLZOCXBDSA-N 1 2 318.826 0.997 10 0 DCAELO CS(=O)(=O)N[C@@H]1CC[N@@H+](C[C@H](O)c2cccc(Cl)c2)C1 ZINC000173763078 198248995 /nfs/dbraw/zinc/24/89/95/198248995.db2.gz RXBNGMKWTIUNOF-OLZOCXBDSA-N 1 2 318.826 0.997 10 0 DCAELO CC(C)n1ccc(C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)n1 ZINC000179281239 199010003 /nfs/dbraw/zinc/01/00/03/199010003.db2.gz JPPGIKMQMCACON-UHFFFAOYSA-N 1 2 305.382 0.980 10 0 DCAELO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)c2c(C)nn(C)c2C)CC1 ZINC000179400858 199029451 /nfs/dbraw/zinc/02/94/51/199029451.db2.gz WMJZMHBOQHHILT-ZDUSSCGKSA-N 1 2 322.409 0.135 10 0 DCAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)Nc1cccc2[nH]ccc21 ZINC000179817672 199083981 /nfs/dbraw/zinc/08/39/81/199083981.db2.gz WXCYAHOAWIWVHJ-LBPRGKRZSA-N 1 2 318.377 0.983 10 0 DCAELO C[C@@H]1COC[C@H](C)[N@H+]1CC(=O)N1CCN(c2cnccn2)CC1 ZINC000172668761 237146823 /nfs/dbraw/zinc/14/68/23/237146823.db2.gz WIEZFRXVSAALGZ-OKILXGFUSA-N 1 2 319.409 0.234 10 0 DCAELO C[C@@H]1COC[C@H](C)[N@@H+]1CC(=O)N1CCN(c2cnccn2)CC1 ZINC000172668761 237146834 /nfs/dbraw/zinc/14/68/34/237146834.db2.gz WIEZFRXVSAALGZ-OKILXGFUSA-N 1 2 319.409 0.234 10 0 DCAELO COc1ccc2c(c1)N(C[C@H](O)C[NH+]1CCOCC1)CCO2 ZINC000174121703 237167108 /nfs/dbraw/zinc/16/71/08/237167108.db2.gz BXMWXCNERHHDCU-CYBMUJFWSA-N 1 2 308.378 0.587 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2F)CC[N@@H+]1CCO ZINC000188720359 200293141 /nfs/dbraw/zinc/29/31/41/200293141.db2.gz YVIUJTUHKQTZKK-SNVBAGLBSA-N 1 2 320.361 0.652 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2F)CC[N@H+]1CCO ZINC000188720359 200293143 /nfs/dbraw/zinc/29/31/43/200293143.db2.gz YVIUJTUHKQTZKK-SNVBAGLBSA-N 1 2 320.361 0.652 10 0 DCAELO Cc1ccc(C(=O)N(C)C)cc1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000154353530 291213292 /nfs/dbraw/zinc/21/32/92/291213292.db2.gz RLVQEJOKRYOWHP-HNNXBMFYSA-N 1 2 322.405 0.769 10 0 DCAELO Cc1cc(C(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)cc(=O)[nH]1 ZINC000276511642 238322744 /nfs/dbraw/zinc/32/27/44/238322744.db2.gz CJSDJOFQVARQHP-CYBMUJFWSA-N 1 2 315.377 0.958 10 0 DCAELO OCc1ccc(C[NH+]2CCN(c3cncc4ncnn43)CC2)o1 ZINC000275864486 238311327 /nfs/dbraw/zinc/31/13/27/238311327.db2.gz XUAOCMIOQFLHQH-UHFFFAOYSA-N 1 2 314.349 0.532 10 0 DCAELO COC(=O)C(C)(C)[NH+]1CCN(c2ccnc(C(N)=O)c2)CC1 ZINC000489938611 241103158 /nfs/dbraw/zinc/10/31/58/241103158.db2.gz NPEAETFWYLXHFQ-UHFFFAOYSA-N 1 2 306.366 0.254 10 0 DCAELO CC1(C)[C@H](O)C[C@@H]1NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000573103385 291610860 /nfs/dbraw/zinc/61/08/60/291610860.db2.gz BUIOVAVANXBCCV-WDEREUQCSA-N 1 2 302.334 0.548 10 0 DCAELO Cc1ccc(S(=O)(=O)N2CC[NH+](CC(N)=S)CC2)cc1 ZINC000041566280 183203974 /nfs/dbraw/zinc/20/39/74/183203974.db2.gz WQOYARNIYJAALE-UHFFFAOYSA-N 1 2 313.448 0.587 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@H](O)c2ccc(F)cc2)C1 ZINC000104797729 194041511 /nfs/dbraw/zinc/04/15/11/194041511.db2.gz YLEPMXGHYFJEOH-KBPBESRZSA-N 1 2 311.357 0.489 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)NC[C@H](O)c2ccc(F)cc2)C1 ZINC000104797729 194041514 /nfs/dbraw/zinc/04/15/14/194041514.db2.gz YLEPMXGHYFJEOH-KBPBESRZSA-N 1 2 311.357 0.489 10 0 DCAELO Cc1noc(CCNC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)n1 ZINC000105221684 194086961 /nfs/dbraw/zinc/08/69/61/194086961.db2.gz GETDOWFQARKTBF-MNOVXSKESA-N 1 2 311.386 0.329 10 0 DCAELO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCS[C@@H](C)C1 ZINC000106583995 194233431 /nfs/dbraw/zinc/23/34/31/194233431.db2.gz JJRLMAJHBNAVNM-OLZOCXBDSA-N 1 2 300.472 0.769 10 0 DCAELO C[C@@H]1CCCCN1S(=O)(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000328901577 296317476 /nfs/dbraw/zinc/31/74/76/296317476.db2.gz ZGLGKNNOVGEHPO-MGPQQGTHSA-N 1 2 317.455 0.511 10 0 DCAELO C[C@@H]1CCCCN1S(=O)(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000328901577 296317478 /nfs/dbraw/zinc/31/74/78/296317478.db2.gz ZGLGKNNOVGEHPO-MGPQQGTHSA-N 1 2 317.455 0.511 10 0 DCAELO COc1cncnc1NC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000297345302 533155767 /nfs/dbraw/zinc/15/57/67/533155767.db2.gz FKPPWHNIHDQDPU-RYUDHWBXSA-N 1 2 321.381 0.670 10 0 DCAELO CS(=O)(=O)NC[C@H]1CCC2(C[NH+](Cc3ccco3)C2)OC1 ZINC000247557492 257119733 /nfs/dbraw/zinc/11/97/33/257119733.db2.gz XVKBLPZVJLVCRI-GFCCVEGCSA-N 1 2 314.407 0.810 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3ccc4c(c3)OCO4)C[C@@H]21 ZINC000284091692 131048874 /nfs/dbraw/zinc/04/88/74/131048874.db2.gz NAVILKNXNUVLRG-UONOGXRCSA-N 1 2 318.373 0.889 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3ccc4c(c3)OCO4)C[C@@H]21 ZINC000284091692 131048876 /nfs/dbraw/zinc/04/88/76/131048876.db2.gz NAVILKNXNUVLRG-UONOGXRCSA-N 1 2 318.373 0.889 10 0 DCAELO C[C@@H]1CN(C(=O)COCc2ccnn2C)C[C@H]1[NH+]1CCOCC1 ZINC000284238980 131062321 /nfs/dbraw/zinc/06/23/21/131062321.db2.gz FMSAPTRRLNUHPN-UKRRQHHQSA-N 1 2 322.409 0.116 10 0 DCAELO Cc1ccn2ncc(C(=O)N3CC[C@@H]4OCC[N@@H+](C)[C@@H]4C3)c2n1 ZINC000284465315 131083412 /nfs/dbraw/zinc/08/34/12/131083412.db2.gz LPFZLAVHWIVZAP-KGLIPLIRSA-N 1 2 315.377 0.583 10 0 DCAELO Cc1ccn2ncc(C(=O)N3CC[C@@H]4OCC[N@H+](C)[C@@H]4C3)c2n1 ZINC000284465315 131083413 /nfs/dbraw/zinc/08/34/13/131083413.db2.gz LPFZLAVHWIVZAP-KGLIPLIRSA-N 1 2 315.377 0.583 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)NCCc3ccncc3)C[C@H]21 ZINC000285450412 131169154 /nfs/dbraw/zinc/16/91/54/131169154.db2.gz JLEFFANPBSXLLS-CABCVRRESA-N 1 2 304.394 0.739 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)NCCc3ccncc3)C[C@H]21 ZINC000285450412 131169156 /nfs/dbraw/zinc/16/91/56/131169156.db2.gz JLEFFANPBSXLLS-CABCVRRESA-N 1 2 304.394 0.739 10 0 DCAELO NS(=O)(=O)c1ccc(CNC(=O)CCn2cc[nH+]c2)cc1 ZINC000040378179 395733158 /nfs/dbraw/zinc/73/31/58/395733158.db2.gz FPDDSBIXVKANOC-UHFFFAOYSA-N 1 2 308.363 0.237 10 0 DCAELO C[C@H](CNS(=O)(=O)N1CCC[C@H](C)C1)[NH+]1CCOCC1 ZINC000042159259 395743626 /nfs/dbraw/zinc/74/36/26/395743626.db2.gz NUQMPCICVYPETF-QWHCGFSZSA-N 1 2 305.444 0.273 10 0 DCAELO CN1CC[C@@H](C(=O)NCc2cccnc2-n2cc[nH+]c2)CC1=O ZINC000045897679 395768172 /nfs/dbraw/zinc/76/81/72/395768172.db2.gz NMUBRORDJVRYQQ-GFCCVEGCSA-N 1 2 313.361 0.752 10 0 DCAELO C[C@H](C(=O)N(C)CC(=O)NC(C)(C)C)[NH+]1CCSCC1 ZINC000103467705 395772746 /nfs/dbraw/zinc/77/27/46/395772746.db2.gz PMHACMRCGVRIJG-LLVKDONJSA-N 1 2 301.456 0.797 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2Cc3ccccc3C(=O)O2)C1 ZINC000194630039 395802688 /nfs/dbraw/zinc/80/26/88/395802688.db2.gz FJMJUXJZDPKPQO-OCCSQVGLSA-N 1 2 304.346 0.215 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2Cc3ccccc3C(=O)O2)C1 ZINC000194630039 395802689 /nfs/dbraw/zinc/80/26/89/395802689.db2.gz FJMJUXJZDPKPQO-OCCSQVGLSA-N 1 2 304.346 0.215 10 0 DCAELO Cc1ccc(CCNC(=O)NC[C@H](C)[NH+]2CCOCC2)cn1 ZINC000111452928 395809089 /nfs/dbraw/zinc/80/90/89/395809089.db2.gz FPDGBNQPZOBYFV-AWEZNQCLSA-N 1 2 306.410 0.952 10 0 DCAELO O=C(N[C@H]1CCc2ncnn2C1)c1ccnc(-n2cc[nH+]c2)c1 ZINC000112647068 395820221 /nfs/dbraw/zinc/82/02/21/395820221.db2.gz MFEUHLZSRZLVLG-LBPRGKRZSA-N 1 2 309.333 0.604 10 0 DCAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@H]2CCOC2)CC1 ZINC000115390225 395839043 /nfs/dbraw/zinc/83/90/43/395839043.db2.gz YXPIOIFOVAYQLE-AWEZNQCLSA-N 1 2 306.410 0.718 10 0 DCAELO O=c1cc(C[NH+]2CCN(c3cccnn3)CC2)[nH]c2ccnn21 ZINC000108858632 395794544 /nfs/dbraw/zinc/79/45/44/395794544.db2.gz ZZZHDXRJITZIQB-UHFFFAOYSA-N 1 2 311.349 0.135 10 0 DCAELO CCCc1noc(CCCC(=O)NC[C@H]2C[N@H+](C)CCO2)n1 ZINC000194605395 395801215 /nfs/dbraw/zinc/80/12/15/395801215.db2.gz MAQRCTZPJNGRAV-LBPRGKRZSA-N 1 2 310.398 0.792 10 0 DCAELO CCCc1noc(CCCC(=O)NC[C@H]2C[N@@H+](C)CCO2)n1 ZINC000194605395 395801216 /nfs/dbraw/zinc/80/12/16/395801216.db2.gz MAQRCTZPJNGRAV-LBPRGKRZSA-N 1 2 310.398 0.792 10 0 DCAELO Cc1cc(C(=O)NC[C@H](O)C[NH+]2CCOCC2)cc(Cl)n1 ZINC000122914389 395890547 /nfs/dbraw/zinc/89/05/47/395890547.db2.gz IBPHDVCHCPPZCW-LBPRGKRZSA-N 1 2 313.785 0.466 10 0 DCAELO C[C@@H]1CN(S(=O)(=O)NCc2cn3ccccc3[nH+]2)C[C@H](C)O1 ZINC000055290140 395916333 /nfs/dbraw/zinc/91/63/33/395916333.db2.gz ZHGCBRJGDKMDRI-TXEJJXNPSA-N 1 2 324.406 0.778 10 0 DCAELO C[C@@H]1COCCN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000052607818 395866685 /nfs/dbraw/zinc/86/66/85/395866685.db2.gz NWAHFTUJLBWBMK-CYBMUJFWSA-N 1 2 306.410 0.879 10 0 DCAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)Nc1c(F)cccc1F ZINC000119311934 395869313 /nfs/dbraw/zinc/86/93/13/395869313.db2.gz QQKMAXLBSFMFJJ-JTQLQIEISA-N 1 2 315.320 0.779 10 0 DCAELO Cn1ccc(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)cc1=O ZINC000119748610 395874863 /nfs/dbraw/zinc/87/48/63/395874863.db2.gz NTFXFUYRUNAYFN-UHFFFAOYSA-N 1 2 309.329 0.896 10 0 DCAELO CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245663675 395932807 /nfs/dbraw/zinc/93/28/07/395932807.db2.gz IEQIMBSOHWEDTL-HIFRSBDPSA-N 1 2 311.332 0.962 10 0 DCAELO CC(=O)NCC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245663675 395932809 /nfs/dbraw/zinc/93/28/09/395932809.db2.gz IEQIMBSOHWEDTL-HIFRSBDPSA-N 1 2 311.332 0.962 10 0 DCAELO CN(C[C@@H]1CCCO1)c1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000274372716 395943020 /nfs/dbraw/zinc/94/30/20/395943020.db2.gz QOTXZNVCVCKQQB-LBPRGKRZSA-N 1 2 305.382 0.370 10 0 DCAELO CN(C[C@@H]1CCCO1)c1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000274372716 395943026 /nfs/dbraw/zinc/94/30/26/395943026.db2.gz QOTXZNVCVCKQQB-LBPRGKRZSA-N 1 2 305.382 0.370 10 0 DCAELO COC(=O)[C@H](C)N(C[C@@H](O)C[NH+]1CCOCC1)C1CCC1 ZINC000248895803 395999607 /nfs/dbraw/zinc/99/96/07/395999607.db2.gz UALDHMNEISSMAC-JSGCOSHPSA-N 1 2 300.399 0.096 10 0 DCAELO C[C@H]1C[N@H+](Cc2nnc(C3CC3)n2C)C[C@H]1N1CCOCC1 ZINC000246428211 395950010 /nfs/dbraw/zinc/95/00/10/395950010.db2.gz LARVBZPQZOAYLH-GXTWGEPZSA-N 1 2 305.426 0.845 10 0 DCAELO C[C@H]1C[N@@H+](Cc2nnc(C3CC3)n2C)C[C@H]1N1CCOCC1 ZINC000246428211 395950012 /nfs/dbraw/zinc/95/00/12/395950012.db2.gz LARVBZPQZOAYLH-GXTWGEPZSA-N 1 2 305.426 0.845 10 0 DCAELO O=C(NOC[C@H]1CCOC1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000248730887 395996203 /nfs/dbraw/zinc/99/62/03/395996203.db2.gz FSQFDQLCALLTGH-QWHCGFSZSA-N 1 2 306.366 0.928 10 0 DCAELO CCOC(=O)CN1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000253375007 396026090 /nfs/dbraw/zinc/02/60/90/396026090.db2.gz OFCAGJHOCGKATP-CYBMUJFWSA-N 1 2 311.426 0.614 10 0 DCAELO Cc1cccc(C)c1OCC(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000154142853 396032895 /nfs/dbraw/zinc/03/28/95/396032895.db2.gz WCPJRRQDZAQCAJ-HNNXBMFYSA-N 1 2 322.405 0.492 10 0 DCAELO O=C([C@@H]1CSC(=O)N1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000154641759 396040562 /nfs/dbraw/zinc/04/05/62/396040562.db2.gz UWCSHCVZRPJFAX-LBPRGKRZSA-N 1 2 306.391 0.551 10 0 DCAELO COC(=O)CC(C)(C)CC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000155218776 396048918 /nfs/dbraw/zinc/04/89/18/396048918.db2.gz IMGJDSVUOWCTRC-ZDUSSCGKSA-N 1 2 312.410 0.899 10 0 DCAELO Cc1nc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)cn1C ZINC000261674153 396055485 /nfs/dbraw/zinc/05/54/85/396055485.db2.gz JILAWFOTAOCBLO-CYBMUJFWSA-N 1 2 321.406 0.459 10 0 DCAELO C[C@@H]1CN(C(=O)c2ccc([S@@](C)=O)cc2)CC[N@@H+]1CCO ZINC000249877925 396012941 /nfs/dbraw/zinc/01/29/41/396012941.db2.gz HFXPHLNNGXYFMQ-XUSGNXJCSA-N 1 2 310.419 0.563 10 0 DCAELO C[C@@H]1CN(C(=O)c2ccc([S@@](C)=O)cc2)CC[N@H+]1CCO ZINC000249877925 396012943 /nfs/dbraw/zinc/01/29/43/396012943.db2.gz HFXPHLNNGXYFMQ-XUSGNXJCSA-N 1 2 310.419 0.563 10 0 DCAELO Cc1cccc(-n2cc(C(=O)NC[C@@H]3C[N@H+](C)CCO3)nn2)c1 ZINC000171286942 396112538 /nfs/dbraw/zinc/11/25/38/396112538.db2.gz LHHMUUOCRGTEMN-CQSZACIVSA-N 1 2 315.377 0.636 10 0 DCAELO Cc1cccc(-n2cc(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)nn2)c1 ZINC000171286942 396112540 /nfs/dbraw/zinc/11/25/40/396112540.db2.gz LHHMUUOCRGTEMN-CQSZACIVSA-N 1 2 315.377 0.636 10 0 DCAELO C[C@H](CNC(=O)NC[C@@H](CO)c1ccccc1)[NH+]1CCOCC1 ZINC000175772434 396142529 /nfs/dbraw/zinc/14/25/29/396142529.db2.gz ABFXOQAUWDASAM-ZBFHGGJFSA-N 1 2 321.421 0.782 10 0 DCAELO Cc1c([C@@H](C)NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cnn1C ZINC000173787416 396136055 /nfs/dbraw/zinc/13/60/55/396136055.db2.gz IKPOCFSIJHIQCA-OCCSQVGLSA-N 1 2 321.425 0.906 10 0 DCAELO CCC(=O)N1CC[C@H](C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000162411880 396081179 /nfs/dbraw/zinc/08/11/79/396081179.db2.gz CIYOOPYQWTVMDT-GXTWGEPZSA-N 1 2 309.410 0.224 10 0 DCAELO CCC(=O)N1CC[C@H](C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000162411880 396081181 /nfs/dbraw/zinc/08/11/81/396081181.db2.gz CIYOOPYQWTVMDT-GXTWGEPZSA-N 1 2 309.410 0.224 10 0 DCAELO CCC(=O)N1CC[C@@H](C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000162411992 396081405 /nfs/dbraw/zinc/08/14/05/396081405.db2.gz CIYOOPYQWTVMDT-TZMCWYRMSA-N 1 2 309.410 0.224 10 0 DCAELO CCC(=O)N1CC[C@@H](C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000162411992 396081407 /nfs/dbraw/zinc/08/14/07/396081407.db2.gz CIYOOPYQWTVMDT-TZMCWYRMSA-N 1 2 309.410 0.224 10 0 DCAELO Cc1cc(=O)n(C)cc1NC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000176332673 396154054 /nfs/dbraw/zinc/15/40/54/396154054.db2.gz XSBFVBOTLLBNBR-GFCCVEGCSA-N 1 2 308.382 0.536 10 0 DCAELO O=C(CCNC(=O)[C@H]1CC(F)(F)C[NH2+]1)NCc1cccnc1 ZINC000262981276 396195642 /nfs/dbraw/zinc/19/56/42/396195642.db2.gz MUKSNIIHYPOWAU-LLVKDONJSA-N 1 2 312.320 0.201 10 0 DCAELO O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCN(Cc2ccccn2)CC1 ZINC000263013440 396197468 /nfs/dbraw/zinc/19/74/68/396197468.db2.gz QAIMYVLQJWLCQX-ZDUSSCGKSA-N 1 2 310.348 0.723 10 0 DCAELO O=C(N[C@@H]1CCN(c2ccccc2)C1=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263171292 396204165 /nfs/dbraw/zinc/20/41/65/396204165.db2.gz FTBRQQIMXYZVTL-NEPJUHHUSA-N 1 2 309.316 0.905 10 0 DCAELO Cn1ncc2c1CCC[C@@H]2NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000264299966 396268531 /nfs/dbraw/zinc/26/85/31/396268531.db2.gz IYXHJSMIGYUMOO-YPMHNXCESA-N 1 2 307.398 0.427 10 0 DCAELO Cn1ncc2c1CCC[C@@H]2NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000264299966 396268533 /nfs/dbraw/zinc/26/85/33/396268533.db2.gz IYXHJSMIGYUMOO-YPMHNXCESA-N 1 2 307.398 0.427 10 0 DCAELO COc1cccc([C@H](O)CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)c1 ZINC000263318477 396213655 /nfs/dbraw/zinc/21/36/55/396213655.db2.gz ZVHLEYWLZZUUOA-VXGBXAGGSA-N 1 2 300.305 0.842 10 0 DCAELO O=C(C[N@H+]1C[C@H](O)C[C@@H]1CO)Nc1cccc2c1N=S=N2 ZINC000179183000 396224135 /nfs/dbraw/zinc/22/41/35/396224135.db2.gz OXZGHSXXWCWRMM-RKDXNWHRSA-N 1 2 308.363 0.779 10 0 DCAELO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1CO)Nc1cccc2c1N=S=N2 ZINC000179183000 396224138 /nfs/dbraw/zinc/22/41/38/396224138.db2.gz OXZGHSXXWCWRMM-RKDXNWHRSA-N 1 2 308.363 0.779 10 0 DCAELO CC(C)[C@H](NC[C@@H](O)C[NH+]1CCOCC1)c1nc(C2CC2)no1 ZINC000179813826 396229745 /nfs/dbraw/zinc/22/97/45/396229745.db2.gz DUUIIVDFJPSUFR-KGLIPLIRSA-N 1 2 324.425 0.927 10 0 DCAELO C[C@@H](O)C(=O)N1CC[NH+](Cc2cc(-c3cnn(C)c3)no2)CC1 ZINC000185045271 396315478 /nfs/dbraw/zinc/31/54/78/396315478.db2.gz IDBPVMNETMNMKL-LLVKDONJSA-N 1 2 319.365 0.100 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)CCc2cccc3c2OCO3)C1 ZINC000184279432 396288952 /nfs/dbraw/zinc/28/89/52/396288952.db2.gz RKWSDKDSKMMABD-ZDUSSCGKSA-N 1 2 306.362 0.795 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)CCc2cccc3c2OCO3)C1 ZINC000184279432 396288956 /nfs/dbraw/zinc/28/89/56/396288956.db2.gz RKWSDKDSKMMABD-ZDUSSCGKSA-N 1 2 306.362 0.795 10 0 DCAELO C[C@H]([NH2+]CC(=O)NC(N)=O)c1nc(Cc2ccccc2)no1 ZINC000185391690 396326941 /nfs/dbraw/zinc/32/69/41/396326941.db2.gz KEGVYBBUQCCMHX-VIFPVBQESA-N 1 2 303.322 0.506 10 0 DCAELO COC[C@H](C)S(=O)(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186108422 396341156 /nfs/dbraw/zinc/34/11/56/396341156.db2.gz MTTKDIBKQWSQKT-ZDUSSCGKSA-N 1 2 313.423 0.958 10 0 DCAELO O=C(N[C@@H]1CCc2ncnn2C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000265753860 396341433 /nfs/dbraw/zinc/34/14/33/396341433.db2.gz PTGRFTRJKKGGES-VXGBXAGGSA-N 1 2 315.381 0.905 10 0 DCAELO CN1C(=O)N[C@@H]2C[N@@H+](Cc3ncnn3-c3ccccc3)CC[C@@H]21 ZINC000285943551 396363842 /nfs/dbraw/zinc/36/38/42/396363842.db2.gz MLLZDAWSAWNJCO-KGLIPLIRSA-N 1 2 312.377 0.865 10 0 DCAELO CN1C(=O)N[C@@H]2C[N@H+](Cc3ncnn3-c3ccccc3)CC[C@@H]21 ZINC000285943551 396363845 /nfs/dbraw/zinc/36/38/45/396363845.db2.gz MLLZDAWSAWNJCO-KGLIPLIRSA-N 1 2 312.377 0.865 10 0 DCAELO O=C(CCc1nnc[nH]1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186420434 396349509 /nfs/dbraw/zinc/34/95/09/396349509.db2.gz OOJFYBKMWRNSGD-UHFFFAOYSA-N 1 2 300.366 0.871 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)cc3)C[C@@H]21 ZINC000286208156 396380887 /nfs/dbraw/zinc/38/08/87/396380887.db2.gz BYBZSMZLXIZBJU-UONOGXRCSA-N 1 2 303.362 0.331 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)cc3)C[C@@H]21 ZINC000286208156 396380890 /nfs/dbraw/zinc/38/08/90/396380890.db2.gz BYBZSMZLXIZBJU-UONOGXRCSA-N 1 2 303.362 0.331 10 0 DCAELO C[C@@H](NC(N)=O)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000188891433 396388465 /nfs/dbraw/zinc/38/84/65/396388465.db2.gz HZNAPJGMDPVOAU-SNVBAGLBSA-N 1 2 324.812 0.871 10 0 DCAELO C[C@@H](NC(N)=O)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000188891433 396388467 /nfs/dbraw/zinc/38/84/67/396388467.db2.gz HZNAPJGMDPVOAU-SNVBAGLBSA-N 1 2 324.812 0.871 10 0 DCAELO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2cccnc2)CCN1CCO ZINC000190244179 396403570 /nfs/dbraw/zinc/40/35/70/396403570.db2.gz PHFPJXSSKJKZII-CQSZACIVSA-N 1 2 315.421 0.981 10 0 DCAELO C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2cccnc2)CCN1CCO ZINC000190244179 396403572 /nfs/dbraw/zinc/40/35/72/396403572.db2.gz PHFPJXSSKJKZII-CQSZACIVSA-N 1 2 315.421 0.981 10 0 DCAELO CCC(CC)NC(=O)[C@@H](C)[N@@H+]1CCCN(CCOC)C(=O)C1 ZINC000190772305 396411324 /nfs/dbraw/zinc/41/13/24/396411324.db2.gz GDHAWICKERCJHK-CYBMUJFWSA-N 1 2 313.442 0.860 10 0 DCAELO CCC(CC)NC(=O)[C@@H](C)[N@H+]1CCCN(CCOC)C(=O)C1 ZINC000190772305 396411325 /nfs/dbraw/zinc/41/13/25/396411325.db2.gz GDHAWICKERCJHK-CYBMUJFWSA-N 1 2 313.442 0.860 10 0 DCAELO COCCN1CCC[N@H+](CC(=O)NCCC(C)(C)C)CC1=O ZINC000190800730 396411536 /nfs/dbraw/zinc/41/15/36/396411536.db2.gz BDVAFOYGVGFBOH-UHFFFAOYSA-N 1 2 313.442 0.720 10 0 DCAELO COCCN1CCC[N@@H+](CC(=O)NCCC(C)(C)C)CC1=O ZINC000190800730 396411539 /nfs/dbraw/zinc/41/15/39/396411539.db2.gz BDVAFOYGVGFBOH-UHFFFAOYSA-N 1 2 313.442 0.720 10 0 DCAELO COCCN1CCC[N@@H+]([C@H](C)C(=O)N2CCCCC2)CC1=O ZINC000190809225 396411755 /nfs/dbraw/zinc/41/17/55/396411755.db2.gz UOPIFMYZKHIKCN-CQSZACIVSA-N 1 2 311.426 0.568 10 0 DCAELO COCCN1CCC[N@H+]([C@H](C)C(=O)N2CCCCC2)CC1=O ZINC000190809225 396411758 /nfs/dbraw/zinc/41/17/58/396411758.db2.gz UOPIFMYZKHIKCN-CQSZACIVSA-N 1 2 311.426 0.568 10 0 DCAELO CN1CCC[N@H+](CC(=O)NCc2cc(F)cc(F)c2)CC1=O ZINC000191104152 396416160 /nfs/dbraw/zinc/41/61/60/396416160.db2.gz HJIUMMZQDJMBAJ-UHFFFAOYSA-N 1 2 311.332 0.745 10 0 DCAELO CN1CCC[N@@H+](CC(=O)NCc2cc(F)cc(F)c2)CC1=O ZINC000191104152 396416163 /nfs/dbraw/zinc/41/61/63/396416163.db2.gz HJIUMMZQDJMBAJ-UHFFFAOYSA-N 1 2 311.332 0.745 10 0 DCAELO COCCN1CCC[N@H+](Cc2c(C)nn(C)c2OC)CC1=O ZINC000191701369 396423560 /nfs/dbraw/zinc/42/35/60/396423560.db2.gz FXLKHFVTMMHAGK-UHFFFAOYSA-N 1 2 310.398 0.418 10 0 DCAELO COCCN1CCC[N@@H+](Cc2c(C)nn(C)c2OC)CC1=O ZINC000191701369 396423562 /nfs/dbraw/zinc/42/35/62/396423562.db2.gz FXLKHFVTMMHAGK-UHFFFAOYSA-N 1 2 310.398 0.418 10 0 DCAELO C[C@@H](C(=O)N(C)C)S(=O)(=O)NCc1ccc[nH+]c1N(C)C ZINC000192014622 396428824 /nfs/dbraw/zinc/42/88/24/396428824.db2.gz CNUZVPWFAPNKPP-JTQLQIEISA-N 1 2 314.411 0.044 10 0 DCAELO O=C(C[N@@H+]1CCN2CCOC[C@@H]2C1)N1CCCc2ccccc21 ZINC000371827995 396477943 /nfs/dbraw/zinc/47/79/43/396477943.db2.gz CDJIGDOUHMKCCF-INIZCTEOSA-N 1 2 315.417 0.982 10 0 DCAELO O=C(C[N@H+]1CCN2CCOC[C@@H]2C1)N1CCCc2ccccc21 ZINC000371827995 396477944 /nfs/dbraw/zinc/47/79/44/396477944.db2.gz CDJIGDOUHMKCCF-INIZCTEOSA-N 1 2 315.417 0.982 10 0 DCAELO c1ccc(-n2nnnc2C[N@@H+]2CCN3CCOC[C@H]3C2)cc1 ZINC000371834738 396478229 /nfs/dbraw/zinc/47/82/29/396478229.db2.gz MQPAGXZDHNCJDJ-CQSZACIVSA-N 1 2 300.366 0.179 10 0 DCAELO c1ccc(-n2nnnc2C[N@H+]2CCN3CCOC[C@H]3C2)cc1 ZINC000371834738 396478230 /nfs/dbraw/zinc/47/82/30/396478230.db2.gz MQPAGXZDHNCJDJ-CQSZACIVSA-N 1 2 300.366 0.179 10 0 DCAELO O=C(NC[C@H]1CCCCS1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000580124038 396489089 /nfs/dbraw/zinc/48/90/89/396489089.db2.gz PDSIQEYGOYCBJV-CYBMUJFWSA-N 1 2 311.451 0.695 10 0 DCAELO Cn1cc[nH+]c1[C@@H]1CN(C(=O)C2(O)CCSCC2)CCN1C ZINC000372520382 396523984 /nfs/dbraw/zinc/52/39/84/396523984.db2.gz GDFXQRNHYAIGFD-LBPRGKRZSA-N 1 2 324.450 0.493 10 0 DCAELO NC(=O)[C@]1(O)CC[N@H+](Cc2cccc(Br)n2)C1 ZINC000292883597 396574323 /nfs/dbraw/zinc/57/43/23/396574323.db2.gz PVPMWVOVKLTCOV-NSHDSACASA-N 1 2 300.156 0.266 10 0 DCAELO NC(=O)[C@]1(O)CC[N@@H+](Cc2cccc(Br)n2)C1 ZINC000292883597 396574326 /nfs/dbraw/zinc/57/43/26/396574326.db2.gz PVPMWVOVKLTCOV-NSHDSACASA-N 1 2 300.156 0.266 10 0 DCAELO O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1CCC(=O)CC1 ZINC000309554778 396757819 /nfs/dbraw/zinc/75/78/19/396757819.db2.gz JZCSUTNDQHCUIH-UHFFFAOYSA-N 1 2 315.417 0.996 10 0 DCAELO Cn1cnnc1[C@H]1C[N@H+](C[C@H](O)COc2ccccc2)CCO1 ZINC000328625346 396824364 /nfs/dbraw/zinc/82/43/64/396824364.db2.gz DAEGQFOPXLCSTI-DZGCQCFKSA-N 1 2 318.377 0.628 10 0 DCAELO Cn1cnnc1[C@H]1C[N@@H+](C[C@H](O)COc2ccccc2)CCO1 ZINC000328625346 396824370 /nfs/dbraw/zinc/82/43/70/396824370.db2.gz DAEGQFOPXLCSTI-DZGCQCFKSA-N 1 2 318.377 0.628 10 0 DCAELO O=C(C[N@@H+]1C[C@@H]2COC[C@H](C1)O2)N1CCO[C@H]2CCCC[C@H]21 ZINC000328701313 396830494 /nfs/dbraw/zinc/83/04/94/396830494.db2.gz WOUKFAMTUHSNBN-BARDWOONSA-N 1 2 310.394 0.256 10 0 DCAELO O=C(C[N@H+]1C[C@@H]2COC[C@H](C1)O2)N1CCO[C@H]2CCCC[C@H]21 ZINC000328701313 396830501 /nfs/dbraw/zinc/83/05/01/396830501.db2.gz WOUKFAMTUHSNBN-BARDWOONSA-N 1 2 310.394 0.256 10 0 DCAELO C/C=C\C[C@@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)C(=O)OCC ZINC000617856376 396843026 /nfs/dbraw/zinc/84/30/26/396843026.db2.gz BKAOCKRKKPVHBH-RYWCDNDXSA-N 1 2 318.439 0.898 10 0 DCAELO COC(=O)c1coc(C[NH+]2CCN(Cc3nnc(C)[nH]3)CC2)c1 ZINC000611430791 396866713 /nfs/dbraw/zinc/86/67/13/396866713.db2.gz BOYVRFJMHQISKR-UHFFFAOYSA-N 1 2 319.365 0.811 10 0 DCAELO Cn1ccc(CCNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC000332750951 396891384 /nfs/dbraw/zinc/89/13/84/396891384.db2.gz AEHQJLQMTAWIBL-KBPBESRZSA-N 1 2 307.398 0.077 10 0 DCAELO Cn1ccc(CCNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000332750951 396891389 /nfs/dbraw/zinc/89/13/89/396891389.db2.gz AEHQJLQMTAWIBL-KBPBESRZSA-N 1 2 307.398 0.077 10 0 DCAELO CCCn1cc(C[N@H+]2CCC[C@@H](NS(C)(=O)=O)C2)cn1 ZINC000154092761 545835904 /nfs/dbraw/zinc/83/59/04/545835904.db2.gz UFSDKJSXGYPHGL-CYBMUJFWSA-N 1 2 300.428 0.807 10 0 DCAELO NC(=O)C[C@H]1CCN(C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000376579445 396949768 /nfs/dbraw/zinc/94/97/68/396949768.db2.gz OCDOJGUEOBXCBP-GFCCVEGCSA-N 1 2 305.382 0.791 10 0 DCAELO COC(=O)Cc1csc(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)n1 ZINC000592018397 397065252 /nfs/dbraw/zinc/06/52/52/397065252.db2.gz QREFONQTBYHTOD-SSDOTTSWSA-N 1 2 305.306 0.794 10 0 DCAELO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1C[C@@H](F)C[C@H]1CO ZINC000364623828 397228642 /nfs/dbraw/zinc/22/86/42/397228642.db2.gz OKLJHYLMFMOFGN-VOAKCMCISA-N 1 2 315.389 0.796 10 0 DCAELO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1C[C@@H](F)C[C@H]1CO ZINC000364623828 397228648 /nfs/dbraw/zinc/22/86/48/397228648.db2.gz OKLJHYLMFMOFGN-VOAKCMCISA-N 1 2 315.389 0.796 10 0 DCAELO O=C(N[C@H]1CCO[C@H](C2CC2)C1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000574357601 397260292 /nfs/dbraw/zinc/26/02/92/397260292.db2.gz CQMGIIVBIZYUEO-ZFWWWQNUSA-N 1 2 321.421 0.367 10 0 DCAELO C[N@@H+]1CCO[C@H]2CN(C(=O)c3cc4ccccc4c(=O)o3)C[C@H]21 ZINC000407954210 397334911 /nfs/dbraw/zinc/33/49/11/397334911.db2.gz FSBGKXOEOGENJV-HIFRSBDPSA-N 1 2 314.341 0.948 10 0 DCAELO C[N@H+]1CCO[C@H]2CN(C(=O)c3cc4ccccc4c(=O)o3)C[C@H]21 ZINC000407954210 397334916 /nfs/dbraw/zinc/33/49/16/397334916.db2.gz FSBGKXOEOGENJV-HIFRSBDPSA-N 1 2 314.341 0.948 10 0 DCAELO CC(=O)N[C@@H]1CCCN(C(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000407968402 397340870 /nfs/dbraw/zinc/34/08/70/397340870.db2.gz SWIKVINXZZTHNW-GXTWGEPZSA-N 1 2 312.414 0.017 10 0 DCAELO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000408082459 397346612 /nfs/dbraw/zinc/34/66/12/397346612.db2.gz GTOODGLYBAPMJS-QWRGUYRKSA-N 1 2 311.407 0.499 10 0 DCAELO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000408082459 397346616 /nfs/dbraw/zinc/34/66/16/397346616.db2.gz GTOODGLYBAPMJS-QWRGUYRKSA-N 1 2 311.407 0.499 10 0 DCAELO COCCn1nc(C(=O)Nc2ccc3[nH+]ccn3c2)ccc1=O ZINC000603809280 397621560 /nfs/dbraw/zinc/62/15/60/397621560.db2.gz XLAOQKRGSINIGR-UHFFFAOYSA-N 1 2 313.317 0.790 10 0 DCAELO CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603884296 397625334 /nfs/dbraw/zinc/62/53/34/397625334.db2.gz RIJPDAFCTGCUEX-NSHDSACASA-N 1 2 308.363 0.697 10 0 DCAELO O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000606936279 397691378 /nfs/dbraw/zinc/69/13/78/397691378.db2.gz IVCKCMGMQHZJIL-TUAOUCFPSA-N 1 2 313.316 0.806 10 0 DCAELO O[C@H](COC[C@H]1CCCO1)C[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000606936279 397691381 /nfs/dbraw/zinc/69/13/81/397691381.db2.gz IVCKCMGMQHZJIL-TUAOUCFPSA-N 1 2 313.316 0.806 10 0 DCAELO C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+]1CCNC(=O)CC1 ZINC000054259040 158020269 /nfs/dbraw/zinc/02/02/69/158020269.db2.gz QOXUGBGXCXBFJF-VIFPVBQESA-N 1 2 317.349 0.005 10 0 DCAELO C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+]1CCNC(=O)CC1 ZINC000054259040 158020272 /nfs/dbraw/zinc/02/02/72/158020272.db2.gz QOXUGBGXCXBFJF-VIFPVBQESA-N 1 2 317.349 0.005 10 0 DCAELO COc1ccccc1CCNC(=O)C[N@@H+]1CCNC(=O)CC1 ZINC000054258686 158020583 /nfs/dbraw/zinc/02/05/83/158020583.db2.gz OFOBFQFWBUKNDD-UHFFFAOYSA-N 1 2 305.378 0.176 10 0 DCAELO COc1ccccc1CCNC(=O)C[N@H+]1CCNC(=O)CC1 ZINC000054258686 158020586 /nfs/dbraw/zinc/02/05/86/158020586.db2.gz OFOBFQFWBUKNDD-UHFFFAOYSA-N 1 2 305.378 0.176 10 0 DCAELO CC(=O)N[C@H](CC(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000067848665 158040684 /nfs/dbraw/zinc/04/06/84/158040684.db2.gz DLXVXJVQERVBDS-MRXNPFEDSA-N 1 2 319.405 0.702 10 0 DCAELO CCOC(=O)[C@@H]1CCCN(C(=O)C[NH+]2[C@@H](C)COC[C@@H]2C)C1 ZINC000077657639 158068983 /nfs/dbraw/zinc/06/89/83/158068983.db2.gz FGUVHLUZDGBCPV-MELADBBJSA-N 1 2 312.410 0.897 10 0 DCAELO CCS(=O)(=O)CC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000097029899 158123923 /nfs/dbraw/zinc/12/39/23/158123923.db2.gz VTHRUXBOOIOKEM-LBPRGKRZSA-N 1 2 318.439 0.133 10 0 DCAELO CCS(=O)(=O)CC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000097029899 158123926 /nfs/dbraw/zinc/12/39/26/158123926.db2.gz VTHRUXBOOIOKEM-LBPRGKRZSA-N 1 2 318.439 0.133 10 0 DCAELO C[C@@H]1C(=O)NCCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000106533777 158133842 /nfs/dbraw/zinc/13/38/42/158133842.db2.gz XGCAYTJKGDLJLY-GFCCVEGCSA-N 1 2 317.393 0.580 10 0 DCAELO CCCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116891545 158168719 /nfs/dbraw/zinc/16/87/19/158168719.db2.gz MOEHHGAYBMZVMI-RYUDHWBXSA-N 1 2 305.444 0.305 10 0 DCAELO CCCCCNC(=O)[C@H](C)[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116891545 158168720 /nfs/dbraw/zinc/16/87/20/158168720.db2.gz MOEHHGAYBMZVMI-RYUDHWBXSA-N 1 2 305.444 0.305 10 0 DCAELO CN(C)c1ccccc1NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000118115466 158175712 /nfs/dbraw/zinc/17/57/12/158175712.db2.gz CDFMZPFWLSUJRM-LBPRGKRZSA-N 1 2 320.393 0.138 10 0 DCAELO CN(C)c1ccccc1NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000118115466 158175714 /nfs/dbraw/zinc/17/57/14/158175714.db2.gz CDFMZPFWLSUJRM-LBPRGKRZSA-N 1 2 320.393 0.138 10 0 DCAELO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC000119994312 158191676 /nfs/dbraw/zinc/19/16/76/158191676.db2.gz JQKOXRPZTGLNSQ-QWHCGFSZSA-N 1 2 304.394 0.680 10 0 DCAELO CC(C)CC(=O)NCCC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000120922144 158205472 /nfs/dbraw/zinc/20/54/72/158205472.db2.gz FCJGHHVUEDIZTB-CQSZACIVSA-N 1 2 311.426 0.518 10 0 DCAELO CC(C)CC(=O)NCCC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000120922144 158205474 /nfs/dbraw/zinc/20/54/74/158205474.db2.gz FCJGHHVUEDIZTB-CQSZACIVSA-N 1 2 311.426 0.518 10 0 DCAELO C[C@@H]1C[N@H+](C[C@H](O)C(F)(F)F)CCN1C[C@H](O)C(F)(F)F ZINC000121641184 158212976 /nfs/dbraw/zinc/21/29/76/158212976.db2.gz JAKLJJDGFMNKQX-VGMNWLOBSA-N 1 2 324.265 0.839 10 0 DCAELO C[C@@H]1C[N@@H+](C[C@H](O)C(F)(F)F)CCN1C[C@H](O)C(F)(F)F ZINC000121641184 158212978 /nfs/dbraw/zinc/21/29/78/158212978.db2.gz JAKLJJDGFMNKQX-VGMNWLOBSA-N 1 2 324.265 0.839 10 0 DCAELO C[C@@H]1CN(C[C@H](O)C(F)(F)F)CC[N@@H+]1C[C@H](O)C(F)(F)F ZINC000121641184 158212982 /nfs/dbraw/zinc/21/29/82/158212982.db2.gz JAKLJJDGFMNKQX-VGMNWLOBSA-N 1 2 324.265 0.839 10 0 DCAELO C[C@@H]1CN(C[C@H](O)C(F)(F)F)CC[N@H+]1C[C@H](O)C(F)(F)F ZINC000121641184 158212984 /nfs/dbraw/zinc/21/29/84/158212984.db2.gz JAKLJJDGFMNKQX-VGMNWLOBSA-N 1 2 324.265 0.839 10 0 DCAELO C[C@H](CNC(=O)NCc1ccc(C(N)=O)cc1)[NH+]1CCOCC1 ZINC000121955465 158216815 /nfs/dbraw/zinc/21/68/15/158216815.db2.gz KRBOYHMKICJGQY-GFCCVEGCSA-N 1 2 320.393 0.305 10 0 DCAELO C[C@@H]1C[N@H+](CC(=O)NC2CCCCCCC2)C[C@@H](C(N)=O)O1 ZINC000122874623 158225122 /nfs/dbraw/zinc/22/51/22/158225122.db2.gz IQIZRWXZVHJNGG-OCCSQVGLSA-N 1 2 311.426 0.790 10 0 DCAELO C[C@@H]1C[N@@H+](CC(=O)NC2CCCCCCC2)C[C@@H](C(N)=O)O1 ZINC000122874623 158225123 /nfs/dbraw/zinc/22/51/23/158225123.db2.gz IQIZRWXZVHJNGG-OCCSQVGLSA-N 1 2 311.426 0.790 10 0 DCAELO Cc1nc(C(=O)N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)no1 ZINC000123695304 158232971 /nfs/dbraw/zinc/23/29/71/158232971.db2.gz SYDFEQGCDZDJTJ-UHFFFAOYSA-N 1 2 318.381 0.686 10 0 DCAELO O=C(CCOC[C@@H]1CCCO1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000127327194 158273081 /nfs/dbraw/zinc/27/30/81/158273081.db2.gz QOGQXWGDIFKIFN-GJZGRUSLSA-N 1 2 312.410 0.552 10 0 DCAELO O=C(CCOC[C@@H]1CCCO1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000127327194 158273083 /nfs/dbraw/zinc/27/30/83/158273083.db2.gz QOGQXWGDIFKIFN-GJZGRUSLSA-N 1 2 312.410 0.552 10 0 DCAELO COCC(=O)N[C@H](C(=O)NCc1[nH+]ccn1CC(C)C)C(C)C ZINC000131276437 158302262 /nfs/dbraw/zinc/30/22/62/158302262.db2.gz VIPNEXVBVNLMLM-HNNXBMFYSA-N 1 2 324.425 0.943 10 0 DCAELO COC[C@@H](O)CCNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000131800493 158305833 /nfs/dbraw/zinc/30/58/33/158305833.db2.gz IBFRIKRKJOMKIQ-AWEZNQCLSA-N 1 2 322.409 0.747 10 0 DCAELO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+]([C@@H]2CCN(C(C)C)C2=O)C1 ZINC000134324430 158325836 /nfs/dbraw/zinc/32/58/36/158325836.db2.gz RZKKABHJIILGIB-CHWSQXEVSA-N 1 2 317.455 0.398 10 0 DCAELO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+]([C@@H]2CCN(C(C)C)C2=O)C1 ZINC000134324430 158325838 /nfs/dbraw/zinc/32/58/38/158325838.db2.gz RZKKABHJIILGIB-CHWSQXEVSA-N 1 2 317.455 0.398 10 0 DCAELO CC(C)n1nnnc1C[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000135423952 158336504 /nfs/dbraw/zinc/33/65/04/158336504.db2.gz HWALPPDHDRCHBU-UHFFFAOYSA-N 1 2 307.402 0.634 10 0 DCAELO CCCCNC(=O)NC(=O)C[NH+]1CCN(c2cccnn2)CC1 ZINC000170649925 158374782 /nfs/dbraw/zinc/37/47/82/158374782.db2.gz XLXATOLTQDPBLZ-UHFFFAOYSA-N 1 2 320.397 0.225 10 0 DCAELO O=C(C1=NNC(=O)CC1)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000171023576 158379768 /nfs/dbraw/zinc/37/97/68/158379768.db2.gz NRONFAVXRZNTKX-UHFFFAOYSA-N 1 2 321.406 0.443 10 0 DCAELO O=C(C1=NNC(=O)CC1)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000171023576 158379771 /nfs/dbraw/zinc/37/97/71/158379771.db2.gz NRONFAVXRZNTKX-UHFFFAOYSA-N 1 2 321.406 0.443 10 0 DCAELO C[C@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000171702079 158386238 /nfs/dbraw/zinc/38/62/38/158386238.db2.gz SEJRILINPRIFCR-MNOVXSKESA-N 1 2 317.401 0.509 10 0 DCAELO C[C@H](c1nc(N)nc(N(C)C)n1)[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000171702079 158386239 /nfs/dbraw/zinc/38/62/39/158386239.db2.gz SEJRILINPRIFCR-MNOVXSKESA-N 1 2 317.401 0.509 10 0 DCAELO CCOCCO[C@@H](C)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172763961 158399687 /nfs/dbraw/zinc/39/96/87/158399687.db2.gz DROZNNHNVAJSBI-UONOGXRCSA-N 1 2 300.399 0.361 10 0 DCAELO C[C@H](OC[C@H]1CCCO1)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000247190931 158678192 /nfs/dbraw/zinc/67/81/92/158678192.db2.gz SSUVADASCRUXEZ-SOUVJXGZSA-N 1 2 312.410 0.504 10 0 DCAELO Cc1ccn(CC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)c(=O)c1 ZINC000328867511 159035690 /nfs/dbraw/zinc/03/56/90/159035690.db2.gz GYTZSAYEZYXXBM-KGLIPLIRSA-N 1 2 305.378 0.088 10 0 DCAELO Cc1ccn(CC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)c(=O)c1 ZINC000328867511 159035691 /nfs/dbraw/zinc/03/56/91/159035691.db2.gz GYTZSAYEZYXXBM-KGLIPLIRSA-N 1 2 305.378 0.088 10 0 DCAELO CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000328868450 159036118 /nfs/dbraw/zinc/03/61/18/159036118.db2.gz HGPRVGDCJWEHRE-ILXRZTDVSA-N 1 2 323.437 0.565 10 0 DCAELO CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000328868450 159036121 /nfs/dbraw/zinc/03/61/21/159036121.db2.gz HGPRVGDCJWEHRE-ILXRZTDVSA-N 1 2 323.437 0.565 10 0 DCAELO CCC(=O)N1CC[C@H](C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)C1 ZINC000328892042 159038231 /nfs/dbraw/zinc/03/82/31/159038231.db2.gz SVQPNPOYXHNDGM-MJBXVCDLSA-N 1 2 309.410 0.176 10 0 DCAELO CCC(=O)N1CC[C@H](C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)C1 ZINC000328892042 159038232 /nfs/dbraw/zinc/03/82/32/159038232.db2.gz SVQPNPOYXHNDGM-MJBXVCDLSA-N 1 2 309.410 0.176 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)CSc3nncs3)C[C@H]21 ZINC000328915034 159041178 /nfs/dbraw/zinc/04/11/78/159041178.db2.gz QOUFYDRYHDLTGT-NXEZZACHSA-N 1 2 314.436 0.562 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)CSc3nncs3)C[C@H]21 ZINC000328915034 159041180 /nfs/dbraw/zinc/04/11/80/159041180.db2.gz QOUFYDRYHDLTGT-NXEZZACHSA-N 1 2 314.436 0.562 10 0 DCAELO CCc1nnc([C@@H](C)[N@@H+]2CCC[C@](O)(Cn3ccnn3)C2)o1 ZINC000328985439 159049840 /nfs/dbraw/zinc/04/98/40/159049840.db2.gz ZRURFMPGGXGVSE-BXUZGUMPSA-N 1 2 306.370 0.812 10 0 DCAELO CCc1nnc([C@@H](C)[N@H+]2CCC[C@](O)(Cn3ccnn3)C2)o1 ZINC000328985439 159049844 /nfs/dbraw/zinc/04/98/44/159049844.db2.gz ZRURFMPGGXGVSE-BXUZGUMPSA-N 1 2 306.370 0.812 10 0 DCAELO Cc1cnn(C)c1S(=O)(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000329069937 159058381 /nfs/dbraw/zinc/05/83/81/159058381.db2.gz NCIBEZVENMJTDL-ZDUSSCGKSA-N 1 2 322.390 0.966 10 0 DCAELO C[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@@H]1[NH+]1CCOCC1 ZINC000329574612 159103973 /nfs/dbraw/zinc/10/39/73/159103973.db2.gz NVGJRVMHMSELSN-OLMNGRFOSA-N 1 2 324.421 0.217 10 0 DCAELO Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000330089703 159141091 /nfs/dbraw/zinc/14/10/91/159141091.db2.gz WBKOZWHRFFWQQM-NMFUWQPSSA-N 1 2 320.393 0.039 10 0 DCAELO Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000330089703 159141093 /nfs/dbraw/zinc/14/10/93/159141093.db2.gz WBKOZWHRFFWQQM-NMFUWQPSSA-N 1 2 320.393 0.039 10 0 DCAELO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2nccnc2N)C1 ZINC000330158808 159146210 /nfs/dbraw/zinc/14/62/10/159146210.db2.gz QGKFHURKMRCSKS-NSHDSACASA-N 1 2 300.366 0.887 10 0 DCAELO CNC(=O)[C@H](NC(=O)C[N@@H+]1CCOCC[C@@H]1C)c1ccccc1 ZINC000367668851 159350372 /nfs/dbraw/zinc/35/03/72/159350372.db2.gz YMILCKCXAYFTDJ-XJKSGUPXSA-N 1 2 319.405 0.701 10 0 DCAELO CNC(=O)[C@H](NC(=O)C[N@H+]1CCOCC[C@@H]1C)c1ccccc1 ZINC000367668851 159350374 /nfs/dbraw/zinc/35/03/74/159350374.db2.gz YMILCKCXAYFTDJ-XJKSGUPXSA-N 1 2 319.405 0.701 10 0 DCAELO C[C@H](CCNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1)[S@@](C)=O ZINC000408023921 160015128 /nfs/dbraw/zinc/01/51/28/160015128.db2.gz WMGVBRUFXHSFFS-AYMFLGRJSA-N 1 2 317.455 0.258 10 0 DCAELO C[C@H](CCNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1)[S@@](C)=O ZINC000408023921 160015129 /nfs/dbraw/zinc/01/51/29/160015129.db2.gz WMGVBRUFXHSFFS-AYMFLGRJSA-N 1 2 317.455 0.258 10 0 DCAELO CNC(=O)[C@@H]1CCCN1C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000408078215 160031195 /nfs/dbraw/zinc/03/11/95/160031195.db2.gz BCVUYBHIPYIRLB-NSHDSACASA-N 1 2 303.353 0.701 10 0 DCAELO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)o1 ZINC000408099969 160036014 /nfs/dbraw/zinc/03/60/14/160036014.db2.gz ZRRCKYRVSSQGEF-QWRGUYRKSA-N 1 2 302.396 0.664 10 0 DCAELO Cc1ccc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)o1 ZINC000408099969 160036016 /nfs/dbraw/zinc/03/60/16/160036016.db2.gz ZRRCKYRVSSQGEF-QWRGUYRKSA-N 1 2 302.396 0.664 10 0 DCAELO C[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000408113276 160038792 /nfs/dbraw/zinc/03/87/92/160038792.db2.gz REMMJKLWXMYGQL-SNVBAGLBSA-N 1 2 315.395 0.306 10 0 DCAELO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000408113276 160038794 /nfs/dbraw/zinc/03/87/94/160038794.db2.gz REMMJKLWXMYGQL-SNVBAGLBSA-N 1 2 315.395 0.306 10 0 DCAELO COCC[N@@H+]1CCN(S(=O)(=O)N2CC[C@@H](C)C2)C[C@@H]1C ZINC000408134249 160044267 /nfs/dbraw/zinc/04/42/67/160044267.db2.gz RNVGGFRTBAJPGW-OLZOCXBDSA-N 1 2 305.444 0.226 10 0 DCAELO COCC[N@H+]1CCN(S(=O)(=O)N2CC[C@@H](C)C2)C[C@@H]1C ZINC000408134249 160044268 /nfs/dbraw/zinc/04/42/68/160044268.db2.gz RNVGGFRTBAJPGW-OLZOCXBDSA-N 1 2 305.444 0.226 10 0 DCAELO CC(C)(C)[C@H]1CCN(C(=O)NCC[NH+]2CCOCC2)C[C@@H]1O ZINC000408148649 160048241 /nfs/dbraw/zinc/04/82/41/160048241.db2.gz HOXHUAODDPFVFC-KBPBESRZSA-N 1 2 313.442 0.757 10 0 DCAELO C[C@H](C(=O)N1CCC[C@H](Cn2cncn2)C1)[NH+]1CCOCC1 ZINC000408203509 160059471 /nfs/dbraw/zinc/05/94/71/160059471.db2.gz LKYJGHXYNHMCKM-KGLIPLIRSA-N 1 2 307.398 0.237 10 0 DCAELO C[C@@H]1C[N@@H+](CCCNS(=O)(=O)NC2CCCC2)C[C@H](C)O1 ZINC000408209177 160060710 /nfs/dbraw/zinc/06/07/10/160060710.db2.gz YZNDETKDGVMZGP-BETUJISGSA-N 1 2 319.471 0.852 10 0 DCAELO C[C@@H]1C[N@H+](CCCNS(=O)(=O)NC2CCCC2)C[C@H](C)O1 ZINC000408209177 160060712 /nfs/dbraw/zinc/06/07/12/160060712.db2.gz YZNDETKDGVMZGP-BETUJISGSA-N 1 2 319.471 0.852 10 0 DCAELO Cn1c(=O)[nH]cc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1=O ZINC000408401828 160101402 /nfs/dbraw/zinc/10/14/02/160101402.db2.gz FMNWRMMXJUGVIS-SECBINFHSA-N 1 2 303.322 0.229 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)[C@@H]2CCO[C@H](C)C2)C[C@H]1C ZINC000408460156 160113479 /nfs/dbraw/zinc/11/34/79/160113479.db2.gz MAXIGUSGPDNWSH-XJFOESAGSA-N 1 2 320.455 0.271 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)[C@@H]2CCO[C@H](C)C2)C[C@H]1C ZINC000408460156 160113481 /nfs/dbraw/zinc/11/34/81/160113481.db2.gz MAXIGUSGPDNWSH-XJFOESAGSA-N 1 2 320.455 0.271 10 0 DCAELO C[C@@H](NC(=O)C[N@@H+]1C[C@@H]2C[C@H]1CS2)C(=O)N1CCCCC1 ZINC000408467681 160114582 /nfs/dbraw/zinc/11/45/82/160114582.db2.gz OEUXVRBXZAIPRR-AGIUHOORSA-N 1 2 311.451 0.693 10 0 DCAELO C[C@@H](NC(=O)C[N@H+]1C[C@@H]2C[C@H]1CS2)C(=O)N1CCCCC1 ZINC000408467681 160114586 /nfs/dbraw/zinc/11/45/86/160114586.db2.gz OEUXVRBXZAIPRR-AGIUHOORSA-N 1 2 311.451 0.693 10 0 DCAELO CCCn1nccc1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000134090630 287014923 /nfs/dbraw/zinc/01/49/23/287014923.db2.gz KMUXZWXRFXTGLS-GFCCVEGCSA-N 1 2 323.397 0.069 10 0 DCAELO CC1(C)COCC[N@@H+]1CCNC(=O)N[C@H]1CCCn2ncnc21 ZINC000177369660 287054591 /nfs/dbraw/zinc/05/45/91/287054591.db2.gz UHRJKQAXXSKZQS-LBPRGKRZSA-N 1 2 322.413 0.523 10 0 DCAELO CC1(C)COCC[N@H+]1CCNC(=O)N[C@H]1CCCn2ncnc21 ZINC000177369660 287054592 /nfs/dbraw/zinc/05/45/92/287054592.db2.gz UHRJKQAXXSKZQS-LBPRGKRZSA-N 1 2 322.413 0.523 10 0 DCAELO C[C@@H](CNS(=O)(=O)N1CCC[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000246915563 287089084 /nfs/dbraw/zinc/08/90/84/287089084.db2.gz CQXHVLDIQKLNLC-KGLIPLIRSA-N 1 2 319.471 0.521 10 0 DCAELO CCC[N@H+](C[C@@H](C)CS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 ZINC000246615206 287085902 /nfs/dbraw/zinc/08/59/02/287085902.db2.gz RPMSQRSZBBGABL-NEPJUHHUSA-N 1 2 311.469 0.566 10 0 DCAELO CCC[N@@H+](C[C@@H](C)CS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 ZINC000246615206 287085903 /nfs/dbraw/zinc/08/59/03/287085903.db2.gz RPMSQRSZBBGABL-NEPJUHHUSA-N 1 2 311.469 0.566 10 0 DCAELO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)N2CCC(C)CC2)C[C@@H]1C ZINC000408433142 287096262 /nfs/dbraw/zinc/09/62/62/287096262.db2.gz KSBGUAZYKAPADZ-UONOGXRCSA-N 1 2 319.471 0.350 10 0 DCAELO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)N2CCC(C)CC2)C[C@@H]1C ZINC000408433142 287096263 /nfs/dbraw/zinc/09/62/63/287096263.db2.gz KSBGUAZYKAPADZ-UONOGXRCSA-N 1 2 319.471 0.350 10 0 DCAELO C[C@@H]1C[N@@H+]([C@@H](C(=O)N(C)C)c2ccccc2)CCN1CCO ZINC000249589958 287115375 /nfs/dbraw/zinc/11/53/75/287115375.db2.gz VBQITSUSLPCIAM-GDBMZVCRSA-N 1 2 305.422 0.814 10 0 DCAELO C[C@@H]1C[N@H+]([C@@H](C(=O)N(C)C)c2ccccc2)CCN1CCO ZINC000249589958 287115378 /nfs/dbraw/zinc/11/53/78/287115378.db2.gz VBQITSUSLPCIAM-GDBMZVCRSA-N 1 2 305.422 0.814 10 0 DCAELO COC(=O)c1cc(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)no1 ZINC000408060994 287233165 /nfs/dbraw/zinc/23/31/65/287233165.db2.gz VFRVVPRYRPWIHD-GHMZBOCLSA-N 1 2 309.322 0.006 10 0 DCAELO COC(=O)c1cc(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)no1 ZINC000408060994 287233166 /nfs/dbraw/zinc/23/31/66/287233166.db2.gz VFRVVPRYRPWIHD-GHMZBOCLSA-N 1 2 309.322 0.006 10 0 DCAELO CCc1nnc(C[N@@H+]2CCC[C@H](n3ccc(C(=O)NC)n3)C2)[nH]1 ZINC000275581672 415377008 /nfs/dbraw/zinc/37/70/08/415377008.db2.gz FSOUSVVSUWKBCW-NSHDSACASA-N 1 2 317.397 0.760 10 0 DCAELO CCc1nnc(C[N@H+]2CCC[C@H](n3ccc(C(=O)NC)n3)C2)[nH]1 ZINC000275581672 415377012 /nfs/dbraw/zinc/37/70/12/415377012.db2.gz FSOUSVVSUWKBCW-NSHDSACASA-N 1 2 317.397 0.760 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)CCC(=O)NC3CCCC3)C[C@H]21 ZINC000332760119 415465370 /nfs/dbraw/zinc/46/53/70/415465370.db2.gz YQCYFZGFWPBDMW-CABCVRRESA-N 1 2 323.437 0.757 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)CCC(=O)NC3CCCC3)C[C@H]21 ZINC000332760119 415465378 /nfs/dbraw/zinc/46/53/78/415465378.db2.gz YQCYFZGFWPBDMW-CABCVRRESA-N 1 2 323.437 0.757 10 0 DCAELO CC(C)C(=O)NC1CCN(c2nc3c(cnn3C)c(N)[nH+]2)CC1 ZINC000276354568 415474938 /nfs/dbraw/zinc/47/49/38/415474938.db2.gz YIUJAUNMLFRABA-UHFFFAOYSA-N 1 2 317.397 0.687 10 0 DCAELO C[C@@H]1C[N@H+](CCO)CCN1S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000333158581 415573252 /nfs/dbraw/zinc/57/32/52/415573252.db2.gz LNCPBEOMAVMEES-YIYPIFLZSA-N 1 2 302.440 0.503 10 0 DCAELO C[C@@H]1C[N@@H+](CCO)CCN1S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000333158581 415573260 /nfs/dbraw/zinc/57/32/60/415573260.db2.gz LNCPBEOMAVMEES-YIYPIFLZSA-N 1 2 302.440 0.503 10 0 DCAELO Cn1cc([C@@H]2OCC[C@H]2NC(=O)N2CCn3cc[nH+]c3C2)cn1 ZINC000333323200 415610253 /nfs/dbraw/zinc/61/02/53/415610253.db2.gz BIUYZDLNKKEOKI-OCCSQVGLSA-N 1 2 316.365 0.672 10 0 DCAELO CCOc1ncccc1CNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000104781184 415625084 /nfs/dbraw/zinc/62/50/84/415625084.db2.gz KKCZGANTEOEMTO-ZDUSSCGKSA-N 1 2 308.382 0.610 10 0 DCAELO CCOc1ncccc1CNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000104781184 415625092 /nfs/dbraw/zinc/62/50/92/415625092.db2.gz KKCZGANTEOEMTO-ZDUSSCGKSA-N 1 2 308.382 0.610 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc4oc(=O)[nH]c4c3)C[C@@H]21 ZINC000286885531 415641834 /nfs/dbraw/zinc/64/18/34/415641834.db2.gz DOMXTVLXWQOFQL-JSGCOSHPSA-N 1 2 317.345 0.666 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc4oc(=O)[nH]c4c3)C[C@@H]21 ZINC000286885531 415641843 /nfs/dbraw/zinc/64/18/43/415641843.db2.gz DOMXTVLXWQOFQL-JSGCOSHPSA-N 1 2 317.345 0.666 10 0 DCAELO Cc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000333273381 415598404 /nfs/dbraw/zinc/59/84/04/415598404.db2.gz NZTVBALKXNXGIT-NWDGAFQWSA-N 1 2 308.386 0.051 10 0 DCAELO Cc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000333273381 415598409 /nfs/dbraw/zinc/59/84/09/415598409.db2.gz NZTVBALKXNXGIT-NWDGAFQWSA-N 1 2 308.386 0.051 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(S(=O)(=O)CCOCC3CC3)C[C@H]21 ZINC000333470241 415659352 /nfs/dbraw/zinc/65/93/52/415659352.db2.gz NLAPPWYTPITIOQ-ZIAGYGMSSA-N 1 2 318.439 0.148 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(S(=O)(=O)CCOCC3CC3)C[C@H]21 ZINC000333470241 415659362 /nfs/dbraw/zinc/65/93/62/415659362.db2.gz NLAPPWYTPITIOQ-ZIAGYGMSSA-N 1 2 318.439 0.148 10 0 DCAELO CCCn1nccc1NC(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000129004826 415904633 /nfs/dbraw/zinc/90/46/33/415904633.db2.gz VXWNMIQIYPJADN-UHFFFAOYSA-N 1 2 323.397 0.022 10 0 DCAELO Cn1c2cccc(C(=O)N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)c2oc1=O ZINC000128935161 415904946 /nfs/dbraw/zinc/90/49/46/415904946.db2.gz BYFRBQCQWHVMBN-OLZOCXBDSA-N 1 2 317.345 0.287 10 0 DCAELO Cn1c2cccc(C(=O)N3C[C@@H]4[C@H](C3)OCC[N@H+]4C)c2oc1=O ZINC000128935161 415904951 /nfs/dbraw/zinc/90/49/51/415904951.db2.gz BYFRBQCQWHVMBN-OLZOCXBDSA-N 1 2 317.345 0.287 10 0 DCAELO COc1cccc(CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)n1 ZINC000173906946 416067431 /nfs/dbraw/zinc/06/74/31/416067431.db2.gz VKKQUTQDWJVAFD-AWEZNQCLSA-N 1 2 320.393 0.706 10 0 DCAELO Cc1ccc([C@H]2C[N@H+](CCCN3C(=O)CNC3=O)CCO2)o1 ZINC000158874083 416005380 /nfs/dbraw/zinc/00/53/80/416005380.db2.gz RIOAJXLLDPPQOW-CYBMUJFWSA-N 1 2 307.350 0.903 10 0 DCAELO Cc1ccc([C@H]2C[N@@H+](CCCN3C(=O)CNC3=O)CCO2)o1 ZINC000158874083 416005383 /nfs/dbraw/zinc/00/53/83/416005383.db2.gz RIOAJXLLDPPQOW-CYBMUJFWSA-N 1 2 307.350 0.903 10 0 DCAELO CCOC(=O)CN(C)C(=O)C[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000174748215 416085635 /nfs/dbraw/zinc/08/56/35/416085635.db2.gz RPZOKSHMVVHBGW-LLVKDONJSA-N 1 2 312.288 0.007 10 0 DCAELO CCOC(=O)CN(C)C(=O)C[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000174748215 416085643 /nfs/dbraw/zinc/08/56/43/416085643.db2.gz RPZOKSHMVVHBGW-LLVKDONJSA-N 1 2 312.288 0.007 10 0 DCAELO CC(C)C[C@H](CCO)CNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000174750822 416086629 /nfs/dbraw/zinc/08/66/29/416086629.db2.gz VITCLXBEPBEINZ-UONOGXRCSA-N 1 2 301.431 0.661 10 0 DCAELO CC(C)C[C@H](CCO)CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000174750822 416086633 /nfs/dbraw/zinc/08/66/33/416086633.db2.gz VITCLXBEPBEINZ-UONOGXRCSA-N 1 2 301.431 0.661 10 0 DCAELO Cc1noc(-c2ccnc(NC[C@H](O)C[NH+]3CCOCC3)c2)n1 ZINC000301722031 416089980 /nfs/dbraw/zinc/08/99/80/416089980.db2.gz KCIBDILAVZLZSN-ZDUSSCGKSA-N 1 2 319.365 0.545 10 0 DCAELO CNC(=O)[C@@H](Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1)C(C)C ZINC000301784090 416092752 /nfs/dbraw/zinc/09/27/52/416092752.db2.gz OGMPDHKWWNLRHA-WFASDCNBSA-N 1 2 321.425 0.868 10 0 DCAELO CNC(=O)[C@@H](Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)C(C)C ZINC000301784090 416092755 /nfs/dbraw/zinc/09/27/55/416092755.db2.gz OGMPDHKWWNLRHA-WFASDCNBSA-N 1 2 321.425 0.868 10 0 DCAELO O=C(NCC[NH+]1CCOCC1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000175871933 416115105 /nfs/dbraw/zinc/11/51/05/416115105.db2.gz AQIPXUXNJUAKKR-NSHDSACASA-N 1 2 311.304 0.027 10 0 DCAELO CN1CCN(C(=O)c2ccc3n[nH]nc3c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000328616806 416123415 /nfs/dbraw/zinc/12/34/15/416123415.db2.gz CBRXLJMRMLMTJD-CYBMUJFWSA-N 1 2 311.349 0.810 10 0 DCAELO C[C@@H](CNC(=O)N[C@@H]1CCCn2ncnc21)[NH+]1CCOCC1 ZINC000176395988 416125711 /nfs/dbraw/zinc/12/57/11/416125711.db2.gz QNNQZFIYMAYABD-NWDGAFQWSA-N 1 2 308.386 0.133 10 0 DCAELO C[C@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC(=O)N1C ZINC000328729336 416129035 /nfs/dbraw/zinc/12/90/35/416129035.db2.gz WBPOAXAVRGSJJT-GXTWGEPZSA-N 1 2 309.410 0.176 10 0 DCAELO C[C@H]1CN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC(=O)N1C ZINC000328729336 416129040 /nfs/dbraw/zinc/12/90/40/416129040.db2.gz WBPOAXAVRGSJJT-GXTWGEPZSA-N 1 2 309.410 0.176 10 0 DCAELO CCc1nnc(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)s1 ZINC000328950409 416141067 /nfs/dbraw/zinc/14/10/67/416141067.db2.gz LGXXGOOUDHNFJW-UWVGGRQHSA-N 1 2 311.411 1.037 10 0 DCAELO CCc1nnc(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)s1 ZINC000328950409 416141070 /nfs/dbraw/zinc/14/10/70/416141070.db2.gz LGXXGOOUDHNFJW-UWVGGRQHSA-N 1 2 311.411 1.037 10 0 DCAELO CN1C[C@@H](NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)CCC1=O ZINC000177540168 416148064 /nfs/dbraw/zinc/14/80/64/416148064.db2.gz FQPNQIIHYUUQLD-QWHCGFSZSA-N 1 2 305.382 0.678 10 0 DCAELO CC(=O)Nc1cc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)ccc1F ZINC000178631488 416168006 /nfs/dbraw/zinc/16/80/06/416168006.db2.gz SYABVUZDBRBIRN-CYBMUJFWSA-N 1 2 320.368 0.514 10 0 DCAELO CC(C)(C)C(=O)NCCCC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178649866 416168154 /nfs/dbraw/zinc/16/81/54/416168154.db2.gz XQQFCFUGPPAZIS-CYBMUJFWSA-N 1 2 310.442 0.045 10 0 DCAELO CC(C)(C)OC(=O)NC1(C(=O)NC[C@H]2C[NH+]3CCN2CC3)CC1 ZINC000178718437 416170753 /nfs/dbraw/zinc/17/07/53/416170753.db2.gz RJTGUQSPBKVIOB-LBPRGKRZSA-N 1 2 324.425 0.160 10 0 DCAELO CN1CC[NH+]([C@@H]2CCCCN(S(=O)(=O)C3CC3)C2)CC1 ZINC000179677265 416190709 /nfs/dbraw/zinc/19/07/09/416190709.db2.gz GRFLPURZSDHGRO-CYBMUJFWSA-N 1 2 301.456 0.581 10 0 DCAELO O=C(NCCCOCCO)NC1CCN(c2cccc[nH+]2)CC1 ZINC000181480682 416208782 /nfs/dbraw/zinc/20/87/82/416208782.db2.gz YKTFSQNSBKIPOE-UHFFFAOYSA-N 1 2 322.409 0.749 10 0 DCAELO COCC[N@@H+]1CCN(C(=O)c2cc(C(=O)OC)co2)C[C@H]1C ZINC000183675485 416249205 /nfs/dbraw/zinc/24/92/05/416249205.db2.gz ZLAFHFSHPCQUDF-LLVKDONJSA-N 1 2 310.350 0.859 10 0 DCAELO COCC[N@H+]1CCN(C(=O)c2cc(C(=O)OC)co2)C[C@H]1C ZINC000183675485 416249206 /nfs/dbraw/zinc/24/92/06/416249206.db2.gz ZLAFHFSHPCQUDF-LLVKDONJSA-N 1 2 310.350 0.859 10 0 DCAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)Nc1cccc(Cl)n1 ZINC000183854804 416249559 /nfs/dbraw/zinc/24/95/59/416249559.db2.gz NTRNZGBUZMIZBH-JTQLQIEISA-N 1 2 314.773 0.550 10 0 DCAELO Cc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1F ZINC000190035921 416274272 /nfs/dbraw/zinc/27/42/72/416274272.db2.gz FOCZJTIJGVNJTO-LBPRGKRZSA-N 1 2 323.368 0.598 10 0 DCAELO Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1F ZINC000190035921 416274275 /nfs/dbraw/zinc/27/42/75/416274275.db2.gz FOCZJTIJGVNJTO-LBPRGKRZSA-N 1 2 323.368 0.598 10 0 DCAELO CCCn1cc[nH+]c1CCCN(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC000192252337 416302585 /nfs/dbraw/zinc/30/25/85/416302585.db2.gz YUQSIMDGZQHAQU-NSHDSACASA-N 1 2 321.381 0.282 10 0 DCAELO Cn1nc(Br)cc1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000191999057 416295771 /nfs/dbraw/zinc/29/57/71/416295771.db2.gz FXUBZYRBDUDXGN-QMMMGPOBSA-N 1 2 317.187 0.243 10 0 DCAELO Cn1nc(Br)cc1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000191999057 416295778 /nfs/dbraw/zinc/29/57/78/416295778.db2.gz FXUBZYRBDUDXGN-QMMMGPOBSA-N 1 2 317.187 0.243 10 0 DCAELO C[C@@H]1C(=O)NCCC[N@H+]1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000248886643 416334014 /nfs/dbraw/zinc/33/40/14/416334014.db2.gz AEUHHKLLAQAXEW-GHMZBOCLSA-N 1 2 321.343 0.998 10 0 DCAELO C[C@@H]1C(=O)NCCC[N@@H+]1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000248886643 416334015 /nfs/dbraw/zinc/33/40/15/416334015.db2.gz AEUHHKLLAQAXEW-GHMZBOCLSA-N 1 2 321.343 0.998 10 0 DCAELO CC(C)(C)n1cc(C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)nn1 ZINC000361556576 416447936 /nfs/dbraw/zinc/44/79/36/416447936.db2.gz IPRLPWLNTKEOOW-NSHDSACASA-N 1 2 315.443 0.534 10 0 DCAELO CC(C)(C)n1cc(C[N@H+]2CCC[C@H](CS(N)(=O)=O)C2)nn1 ZINC000361556576 416447942 /nfs/dbraw/zinc/44/79/42/416447942.db2.gz IPRLPWLNTKEOOW-NSHDSACASA-N 1 2 315.443 0.534 10 0 DCAELO COC(=O)[C@H]1CCC[N@H+](Cc2nnnn2CC2CCOCC2)C1 ZINC000369365440 416758000 /nfs/dbraw/zinc/75/80/00/416758000.db2.gz BMIALJUVZLTHSA-ZDUSSCGKSA-N 1 2 323.397 0.485 10 0 DCAELO COC(=O)[C@H]1CCC[N@@H+](Cc2nnnn2CC2CCOCC2)C1 ZINC000369365440 416758009 /nfs/dbraw/zinc/75/80/09/416758009.db2.gz BMIALJUVZLTHSA-ZDUSSCGKSA-N 1 2 323.397 0.485 10 0 DCAELO C[C@@H](CC1CC1)NC(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000369558921 416795117 /nfs/dbraw/zinc/79/51/17/416795117.db2.gz FACAVISSXWMKGE-AAEUAGOBSA-N 1 2 312.414 0.003 10 0 DCAELO C[C@@H](CC1CC1)NC(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000369558921 416795127 /nfs/dbraw/zinc/79/51/27/416795127.db2.gz FACAVISSXWMKGE-AAEUAGOBSA-N 1 2 312.414 0.003 10 0 DCAELO CC[N@H+](CC(=O)Nc1ccc2c(c1)OCO2)[C@H]1CCNC1=O ZINC000565813067 417019407 /nfs/dbraw/zinc/01/94/07/417019407.db2.gz HOJGPUAVMNRXDE-NSHDSACASA-N 1 2 305.334 0.564 10 0 DCAELO CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCO2)[C@H]1CCNC1=O ZINC000565813067 417019414 /nfs/dbraw/zinc/01/94/14/417019414.db2.gz HOJGPUAVMNRXDE-NSHDSACASA-N 1 2 305.334 0.564 10 0 DCAELO Nc1ncccc1[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccccc1 ZINC000616637969 417086001 /nfs/dbraw/zinc/08/60/01/417086001.db2.gz DQTGAROXIJUIOG-CQSZACIVSA-N 1 2 318.402 0.999 10 0 DCAELO O=S(=O)(c1ccccc1)N1CC[NH2+]C[C@@H]1c1ccncn1 ZINC000616639486 417088508 /nfs/dbraw/zinc/08/85/08/417088508.db2.gz OVYBYXWKWMHPFJ-CQSZACIVSA-N 1 2 304.375 0.812 10 0 DCAELO C[C@H]1COCC[N@@H+]1CCNC(=O)c1ccnn1CC(F)(F)F ZINC000448905825 417110003 /nfs/dbraw/zinc/11/00/03/417110003.db2.gz CVKQKLAJWYSCTA-JTQLQIEISA-N 1 2 320.315 0.896 10 0 DCAELO C[C@H]1COCC[N@H+]1CCNC(=O)c1ccnn1CC(F)(F)F ZINC000448905825 417110010 /nfs/dbraw/zinc/11/00/10/417110010.db2.gz CVKQKLAJWYSCTA-JTQLQIEISA-N 1 2 320.315 0.896 10 0 DCAELO C[S@@](=O)c1ccc(C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)cc1 ZINC000435035811 287358300 /nfs/dbraw/zinc/35/83/00/287358300.db2.gz QSYMELBBFRKRST-OYHNWAKOSA-N 1 2 321.402 0.598 10 0 DCAELO C[S@@](=O)c1ccc(C[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)cc1 ZINC000435035811 287358302 /nfs/dbraw/zinc/35/83/02/287358302.db2.gz QSYMELBBFRKRST-OYHNWAKOSA-N 1 2 321.402 0.598 10 0 DCAELO C[S@](=O)c1ccc(C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)cc1 ZINC000435035592 287358395 /nfs/dbraw/zinc/35/83/95/287358395.db2.gz QSYMELBBFRKRST-NYHFZMIOSA-N 1 2 321.402 0.598 10 0 DCAELO C[S@](=O)c1ccc(C[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)cc1 ZINC000435035592 287358397 /nfs/dbraw/zinc/35/83/97/287358397.db2.gz QSYMELBBFRKRST-NYHFZMIOSA-N 1 2 321.402 0.598 10 0 DCAELO CC(C)[C@H]1CN(C(=O)CS(=O)(=O)C(C)(C)C)CC[N@@H+]1C ZINC000408359508 417156648 /nfs/dbraw/zinc/15/66/48/417156648.db2.gz UNYRLUYBXAUGPN-GFCCVEGCSA-N 1 2 304.456 0.998 10 0 DCAELO CC(C)[C@H]1CN(C(=O)CS(=O)(=O)C(C)(C)C)CC[N@H+]1C ZINC000408359508 417156653 /nfs/dbraw/zinc/15/66/53/417156653.db2.gz UNYRLUYBXAUGPN-GFCCVEGCSA-N 1 2 304.456 0.998 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1nnn(C)n1)C2 ZINC000526030719 417176248 /nfs/dbraw/zinc/17/62/48/417176248.db2.gz CKOMMNUARLXJQF-SECBINFHSA-N 1 2 303.370 0.478 10 0 DCAELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1nnn(C)n1)CC2 ZINC000526030719 417176255 /nfs/dbraw/zinc/17/62/55/417176255.db2.gz CKOMMNUARLXJQF-SECBINFHSA-N 1 2 303.370 0.478 10 0 DCAELO CC(=O)[C@@](C)(O)C[N@@H+]1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000450432917 417229171 /nfs/dbraw/zinc/22/91/71/417229171.db2.gz IRNDQHXQEIDWFJ-INIZCTEOSA-N 1 2 308.353 0.810 10 0 DCAELO CC(=O)[C@@](C)(O)C[N@H+]1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000450432917 417229176 /nfs/dbraw/zinc/22/91/76/417229176.db2.gz IRNDQHXQEIDWFJ-INIZCTEOSA-N 1 2 308.353 0.810 10 0 DCAELO C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2cnn[nH]2)C1 ZINC000620724367 417269260 /nfs/dbraw/zinc/26/92/60/417269260.db2.gz LABGBGOTRBDUEE-AWEZNQCLSA-N 1 2 314.393 0.351 10 0 DCAELO CCOC(=O)[C@H]1C[N@H+](Cc2ncnn2CC(C)C)CC12COC2 ZINC000451127647 417300351 /nfs/dbraw/zinc/30/03/51/417300351.db2.gz AMQHVWNQJIAHTL-CYBMUJFWSA-N 1 2 322.409 0.946 10 0 DCAELO CCOC(=O)[C@H]1C[N@@H+](Cc2ncnn2CC(C)C)CC12COC2 ZINC000451127647 417300358 /nfs/dbraw/zinc/30/03/58/417300358.db2.gz AMQHVWNQJIAHTL-CYBMUJFWSA-N 1 2 322.409 0.946 10 0 DCAELO CCOC(=O)[C@H]1C[N@H+](Cc2nnc3n2CCCC3)CC12COC2 ZINC000451139586 417306790 /nfs/dbraw/zinc/30/67/90/417306790.db2.gz SDZIDNGKOPSUPC-GFCCVEGCSA-N 1 2 320.393 0.626 10 0 DCAELO CCOC(=O)[C@H]1C[N@@H+](Cc2nnc3n2CCCC3)CC12COC2 ZINC000451139586 417306798 /nfs/dbraw/zinc/30/67/98/417306798.db2.gz SDZIDNGKOPSUPC-GFCCVEGCSA-N 1 2 320.393 0.626 10 0 DCAELO COc1cc2c(cc1OC)C[N@H+](CC(=O)NCCC(N)=O)CC2 ZINC000438558218 287373685 /nfs/dbraw/zinc/37/36/85/287373685.db2.gz HWKZNXXBVFAHHO-UHFFFAOYSA-N 1 2 321.377 0.054 10 0 DCAELO COc1cc2c(cc1OC)C[N@@H+](CC(=O)NCCC(N)=O)CC2 ZINC000438558218 287373687 /nfs/dbraw/zinc/37/36/87/287373687.db2.gz HWKZNXXBVFAHHO-UHFFFAOYSA-N 1 2 321.377 0.054 10 0 DCAELO O=C([C@H]1CC(F)(F)C[NH2+]1)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000638682035 417535817 /nfs/dbraw/zinc/53/58/17/417535817.db2.gz RPSFMESQCVHTPS-KXUCPTDWSA-N 1 2 308.350 0.162 10 0 DCAELO CN(C)c1[nH+]cccc1NC(=O)CN1CCCC[C@H](O)C1=O ZINC000644324057 417537762 /nfs/dbraw/zinc/53/77/62/417537762.db2.gz PBYKPCCPMCCNLP-LBPRGKRZSA-N 1 2 306.366 0.460 10 0 DCAELO Cn1ncc(Br)c1CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000638880124 417575350 /nfs/dbraw/zinc/57/53/50/417575350.db2.gz WGFYUWBGNYLMGG-SSDOTTSWSA-N 1 2 323.141 0.796 10 0 DCAELO CC(=O)c1c(C)[nH]c(C(=O)N2CC[N@@H+](CCO)C[C@@H]2C)c1C ZINC000457134736 417691548 /nfs/dbraw/zinc/69/15/48/417691548.db2.gz UERYBOOAOJRBFP-JTQLQIEISA-N 1 2 307.394 0.973 10 0 DCAELO CC(=O)c1c(C)[nH]c(C(=O)N2CC[N@H+](CCO)C[C@@H]2C)c1C ZINC000457134736 417691553 /nfs/dbraw/zinc/69/15/53/417691553.db2.gz UERYBOOAOJRBFP-JTQLQIEISA-N 1 2 307.394 0.973 10 0 DCAELO CC[C@H](C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C)N1CCCC1=O ZINC000329554759 287474095 /nfs/dbraw/zinc/47/40/95/287474095.db2.gz GUWGHZGTYYZKFD-RBSFLKMASA-N 1 2 323.437 0.709 10 0 DCAELO CC(C)n1nnnc1C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000182854262 545906558 /nfs/dbraw/zinc/90/65/58/545906558.db2.gz NTWOIPITBUQHBN-SNVBAGLBSA-N 1 2 324.410 0.752 10 0 DCAELO C[C@@H](CNC(=O)Nc1cccc(C(N)=O)c1)[NH+]1CCOCC1 ZINC000192809174 261139602 /nfs/dbraw/zinc/13/96/02/261139602.db2.gz FULMIBFBQCZVSV-NSHDSACASA-N 1 2 306.366 0.628 10 0 DCAELO C[C@H](CNC(=O)Nc1cccc(C(N)=O)c1)[NH+]1CCOCC1 ZINC000192809190 261139811 /nfs/dbraw/zinc/13/98/11/261139811.db2.gz FULMIBFBQCZVSV-LLVKDONJSA-N 1 2 306.366 0.628 10 0 DCAELO Cn1nnc(C[N@@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)n1 ZINC000193008489 261140981 /nfs/dbraw/zinc/14/09/81/261140981.db2.gz ILKIHBHCHOWMKP-SDDRHHMPSA-N 1 2 322.413 0.945 10 0 DCAELO Cn1nnc(C[N@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)n1 ZINC000193008489 261140983 /nfs/dbraw/zinc/14/09/83/261140983.db2.gz ILKIHBHCHOWMKP-SDDRHHMPSA-N 1 2 322.413 0.945 10 0 DCAELO COc1cccc([C@@H](C)C(=O)NC[C@H](O)C[NH+]2CCOCC2)c1 ZINC000193498128 261142077 /nfs/dbraw/zinc/14/20/77/261142077.db2.gz YYQUSHFGMKTIKL-HIFRSBDPSA-N 1 2 322.405 0.608 10 0 DCAELO C[C@@H]1CCOCCN1S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000363801122 262131319 /nfs/dbraw/zinc/13/13/19/262131319.db2.gz AQOYHKZFCCTJSZ-CYBMUJFWSA-N 1 2 306.428 0.149 10 0 DCAELO COC(=O)[C@@H](C1CC1)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000359590847 271127875 /nfs/dbraw/zinc/12/78/75/271127875.db2.gz UGLKPMISRVDCPT-DZGCQCFKSA-N 1 2 323.437 0.567 10 0 DCAELO O=C(N1CCC[C@H](OCCO)C1)C1([NH+]2CCOCC2)CCC1 ZINC000363719052 271202504 /nfs/dbraw/zinc/20/25/04/271202504.db2.gz OGDFIMGYLNGQNV-AWEZNQCLSA-N 1 2 312.410 0.241 10 0 DCAELO CCCCn1nnnc1CN1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000546809675 288030943 /nfs/dbraw/zinc/03/09/43/288030943.db2.gz DZHCSDUSVQMKDC-UHFFFAOYSA-N 1 2 316.413 0.894 10 0 DCAELO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC000329567038 289047065 /nfs/dbraw/zinc/04/70/65/289047065.db2.gz LASJHBICZDHRIW-LALPHHSUSA-N 1 2 319.409 0.231 10 0 DCAELO C[C@H](C(=O)N1CCSc2ccccc21)[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000408440582 298072869 /nfs/dbraw/zinc/07/28/69/298072869.db2.gz DHRPOYBDEYZVSC-RAIGVLPGSA-N 1 2 308.403 0.551 10 0 DCAELO Cc1ccn(C)c1C(=O)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000376292278 302252841 /nfs/dbraw/zinc/25/28/41/302252841.db2.gz ZHJJNZFZQUNNSK-AWEZNQCLSA-N 1 2 318.421 0.760 10 0 DCAELO Cn1cc[nH+]c1[C@H]1CN(C(=O)[C@@]2(O)CCSC2)CCN1C ZINC000276716600 303007417 /nfs/dbraw/zinc/00/74/17/303007417.db2.gz PYICSSYRTBAISW-BXUZGUMPSA-N 1 2 310.423 0.103 10 0 DCAELO Cn1cc(-c2cc(C[N@H+](C)[C@H]3CCS(=O)(=O)C3)on2)cn1 ZINC000184975980 333203268 /nfs/dbraw/zinc/20/32/68/333203268.db2.gz CSZPEUXYDPDEBB-NSHDSACASA-N 1 2 310.379 0.694 10 0 DCAELO Cn1cc(-c2cc(C[N@@H+](C)[C@H]3CCS(=O)(=O)C3)on2)cn1 ZINC000184975980 333203270 /nfs/dbraw/zinc/20/32/70/333203270.db2.gz CSZPEUXYDPDEBB-NSHDSACASA-N 1 2 310.379 0.694 10 0 DCAELO C[C@H]1OCCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)[C@H]1C ZINC000582539832 337106695 /nfs/dbraw/zinc/10/66/95/337106695.db2.gz FIYXXMAUYHCASU-WDEREUQCSA-N 1 2 302.334 0.909 10 0 DCAELO C/C=C/C[C@@H](CO)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000584444728 337326279 /nfs/dbraw/zinc/32/62/79/337326279.db2.gz QLTRCYIJCFNYSL-JDGPPOGSSA-N 1 2 302.334 0.716 10 0 DCAELO Cc1c(C(=O)NC[C@@H]2C[N@H+](C)CCO2)[nH]c2c1C(=O)CCC2 ZINC000299444997 533790030 /nfs/dbraw/zinc/79/00/30/533790030.db2.gz YFIFSGRSUYFJHW-LLVKDONJSA-N 1 2 305.378 0.903 10 0 DCAELO Cc1c(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)[nH]c2c1C(=O)CCC2 ZINC000299444997 533790035 /nfs/dbraw/zinc/79/00/35/533790035.db2.gz YFIFSGRSUYFJHW-LLVKDONJSA-N 1 2 305.378 0.903 10 0 DCAELO C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCC3)CC[N@@H+]1CCO ZINC000188732514 533970413 /nfs/dbraw/zinc/97/04/13/533970413.db2.gz SJUYRINKGOGGLA-ZDUSSCGKSA-N 1 2 324.446 0.862 10 0 DCAELO C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCC3)CC[N@H+]1CCO ZINC000188732514 533970432 /nfs/dbraw/zinc/97/04/32/533970432.db2.gz SJUYRINKGOGGLA-ZDUSSCGKSA-N 1 2 324.446 0.862 10 0 DCAELO CCc1cc(=O)n2nc(N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)sc2n1 ZINC000154811137 523743002 /nfs/dbraw/zinc/74/30/02/523743002.db2.gz LVVKNCJVMOZLBX-ONGXEEELSA-N 1 2 323.422 0.844 10 0 DCAELO CCc1cc(=O)n2nc(N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)sc2n1 ZINC000154811137 523743012 /nfs/dbraw/zinc/74/30/12/523743012.db2.gz LVVKNCJVMOZLBX-ONGXEEELSA-N 1 2 323.422 0.844 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@@](C)(O)c2ccsc2)C1 ZINC000126688152 523939175 /nfs/dbraw/zinc/93/91/75/523939175.db2.gz MIMROCVTOBZRQN-GXTWGEPZSA-N 1 2 313.423 0.585 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)NC[C@@](C)(O)c2ccsc2)C1 ZINC000126688152 523939183 /nfs/dbraw/zinc/93/91/83/523939183.db2.gz MIMROCVTOBZRQN-GXTWGEPZSA-N 1 2 313.423 0.585 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)NC[C@](C)(O)c2ccsc2)C1 ZINC000126687967 523948856 /nfs/dbraw/zinc/94/88/56/523948856.db2.gz MIMROCVTOBZRQN-OCCSQVGLSA-N 1 2 313.423 0.585 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)NC[C@](C)(O)c2ccsc2)C1 ZINC000126687967 523948862 /nfs/dbraw/zinc/94/88/62/523948862.db2.gz MIMROCVTOBZRQN-OCCSQVGLSA-N 1 2 313.423 0.585 10 0 DCAELO O=C1CCC(=O)N1CC[N@H+]1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000159294955 526963718 /nfs/dbraw/zinc/96/37/18/526963718.db2.gz OALQJLONTYFWIG-OLZOCXBDSA-N 1 2 322.361 0.553 10 0 DCAELO O=C1CCC(=O)N1CC[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000159294955 526963721 /nfs/dbraw/zinc/96/37/21/526963721.db2.gz OALQJLONTYFWIG-OLZOCXBDSA-N 1 2 322.361 0.553 10 0 DCAELO CC(=O)[C@](C)(O)C[NH+]1CCN(C(=O)Cc2ccccc2)CC1 ZINC000331337731 527154320 /nfs/dbraw/zinc/15/43/20/527154320.db2.gz QYZDIZYSXZPDBP-QGZVFWFLSA-N 1 2 304.390 0.713 10 0 DCAELO CCN1CCN(C(=O)[C@]2(O)CCSC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000328614601 529133410 /nfs/dbraw/zinc/13/34/10/529133410.db2.gz ALZCHUCWIJUZEH-FZMZJTMJSA-N 1 2 310.423 0.483 10 0 DCAELO CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000285126683 534922723 /nfs/dbraw/zinc/92/27/23/534922723.db2.gz SDYNNSYYAMJQAQ-QLJPJBMISA-N 1 2 319.361 0.138 10 0 DCAELO CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000285126683 534922725 /nfs/dbraw/zinc/92/27/25/534922725.db2.gz SDYNNSYYAMJQAQ-QLJPJBMISA-N 1 2 319.361 0.138 10 0 DCAELO CCOC(=O)[C@@H](Cn1cc(I)cn1)[NH2+]C ZINC000070678550 545661543 /nfs/dbraw/zinc/66/15/43/545661543.db2.gz ILAZTUBAWAVQSH-MRVPVSSYSA-N 1 2 323.134 0.639 10 0 DCAELO CC(C)(C)n1cc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)cn1 ZINC000152091286 545821950 /nfs/dbraw/zinc/82/19/50/545821950.db2.gz PATNVBZJOKPKNO-UHFFFAOYSA-N 1 2 319.409 0.883 10 0 DCAELO CCCn1cc(C[N@@H+]2CCC[C@@H](NS(C)(=O)=O)C2)cn1 ZINC000154092761 545835900 /nfs/dbraw/zinc/83/59/00/545835900.db2.gz UFSDKJSXGYPHGL-CYBMUJFWSA-N 1 2 300.428 0.807 10 0 DCAELO C[C@@H](CNC(=O)c1c[nH]c(=O)c2ccccc12)[NH+]1CCOCC1 ZINC000189506451 545920134 /nfs/dbraw/zinc/92/01/34/545920134.db2.gz RLPMFGKYXSIEBM-LBPRGKRZSA-N 1 2 315.373 0.979 10 0 DCAELO COCC[N@@H+]1CCN(S(=O)(=O)CC[C@H]2CCCO2)C[C@H]1C ZINC000245971500 545962870 /nfs/dbraw/zinc/96/28/70/545962870.db2.gz ARXJNUPFMUKNLR-ZIAGYGMSSA-N 1 2 320.455 0.538 10 0 DCAELO COCC[N@H+]1CCN(S(=O)(=O)CC[C@H]2CCCO2)C[C@H]1C ZINC000245971500 545962873 /nfs/dbraw/zinc/96/28/73/545962873.db2.gz ARXJNUPFMUKNLR-ZIAGYGMSSA-N 1 2 320.455 0.538 10 0 DCAELO Cn1cc(C(=O)c2nc([C@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)cn1 ZINC000350362673 546162180 /nfs/dbraw/zinc/16/21/80/546162180.db2.gz VPTBHACFDOOMBP-ABAIWWIYSA-N 1 2 317.349 0.960 10 0 DCAELO Cn1cc(C(=O)c2nc([C@H]3C[N@H+]4CCC[C@@]4(C)CO3)no2)cn1 ZINC000350362673 546162183 /nfs/dbraw/zinc/16/21/83/546162183.db2.gz VPTBHACFDOOMBP-ABAIWWIYSA-N 1 2 317.349 0.960 10 0 DCAELO Cn1cc(C(=O)c2nc([C@@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)cn1 ZINC000350362676 546162359 /nfs/dbraw/zinc/16/23/59/546162359.db2.gz VPTBHACFDOOMBP-XHDPSFHLSA-N 1 2 317.349 0.960 10 0 DCAELO Cn1cc(C(=O)c2nc([C@@H]3C[N@H+]4CCC[C@]4(C)CO3)no2)cn1 ZINC000350362676 546162362 /nfs/dbraw/zinc/16/23/62/546162362.db2.gz VPTBHACFDOOMBP-XHDPSFHLSA-N 1 2 317.349 0.960 10 0 DCAELO Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000666351770 546455941 /nfs/dbraw/zinc/45/59/41/546455941.db2.gz JRTYUTOBUOQMIN-CHWSQXEVSA-N 1 2 303.366 0.901 10 0 DCAELO O=C(c1ncnc2[nH]ccc21)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000669243287 546942815 /nfs/dbraw/zinc/94/28/15/546942815.db2.gz YICMTAGOUXRKJN-NSHDSACASA-N 1 2 301.350 0.456 10 0 DCAELO COC(=O)c1cn(C[N@@H+]2CCC[C@@H](c3nc(C)no3)C2)nn1 ZINC000068961879 665455805 /nfs/dbraw/zinc/45/58/05/665455805.db2.gz OUNNNGCLQHLOBA-SNVBAGLBSA-N 1 2 306.326 0.593 10 0 DCAELO COC(=O)c1cn(C[N@H+]2CCC[C@@H](c3nc(C)no3)C2)nn1 ZINC000068961879 665455807 /nfs/dbraw/zinc/45/58/07/665455807.db2.gz OUNNNGCLQHLOBA-SNVBAGLBSA-N 1 2 306.326 0.593 10 0 DCAELO COC(C[NH+]1CCN([C@H](C)C(=O)NC2CCCC2)CC1)OC ZINC000160911987 658711268 /nfs/dbraw/zinc/71/12/68/658711268.db2.gz SOBOJZCSAMDFFM-CYBMUJFWSA-N 1 2 313.442 0.670 10 0 DCAELO O=C1[C@H]([N@@H+]2CCO[C@]3(CCOC3)C2)CCN1C1CCOCC1 ZINC000329916565 661843419 /nfs/dbraw/zinc/84/34/19/661843419.db2.gz YXKTYQIRNRVQAD-GDBMZVCRSA-N 1 2 310.394 0.258 10 0 DCAELO O=C1[C@H]([N@H+]2CCO[C@]3(CCOC3)C2)CCN1C1CCOCC1 ZINC000329916565 661843420 /nfs/dbraw/zinc/84/34/20/661843420.db2.gz YXKTYQIRNRVQAD-GDBMZVCRSA-N 1 2 310.394 0.258 10 0 DCAELO [NH3+][C@]1(C(=O)[O-])CCN(Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000067786135 662887112 /nfs/dbraw/zinc/88/71/12/662887112.db2.gz NPPBSOUVTZUJRW-QGZVFWFLSA-N 1 2 319.405 0.507 10 0 DCAELO CO[C@H]1C[C@H](C(=O)NCC(C)(C)n2cc[nH+]c2)N(C(C)=O)C1 ZINC000898907204 663114051 /nfs/dbraw/zinc/11/40/51/663114051.db2.gz NLIXMSYVSOENRO-QWHCGFSZSA-N 1 2 308.382 0.370 10 0 DCAELO CCCS(=O)(=O)NCC1(C[NH+]2CCOCC2)CCOCC1 ZINC000223620473 664418193 /nfs/dbraw/zinc/41/81/93/664418193.db2.gz FRQFFBVOUBVGAH-UHFFFAOYSA-N 1 2 320.455 0.445 10 0 DCAELO C[C@@H](C(=O)NC[C@@H]1C[N@H+](C)CCO1)N1CCc2ccccc21 ZINC000171286084 664606658 /nfs/dbraw/zinc/60/66/58/664606658.db2.gz OANSMECQORRHMF-DZGCQCFKSA-N 1 2 303.406 0.884 10 0 DCAELO C[C@@H](C(=O)NC[C@@H]1C[N@@H+](C)CCO1)N1CCc2ccccc21 ZINC000171286084 664606659 /nfs/dbraw/zinc/60/66/59/664606659.db2.gz OANSMECQORRHMF-DZGCQCFKSA-N 1 2 303.406 0.884 10 0 DCAELO CCCC[C@@H]1NC(=O)N(CN2CC[C@H]([NH+]3CCOCC3)C2)C1=O ZINC000172959924 664626073 /nfs/dbraw/zinc/62/60/73/664626073.db2.gz YWYAEAJRIOWDQB-KBPBESRZSA-N 1 2 324.425 0.461 10 0 DCAELO CCCC[C@@H]1NC(=O)N(C[N@@H+]2CC[C@H](N3CCOCC3)C2)C1=O ZINC000172959924 664626074 /nfs/dbraw/zinc/62/60/74/664626074.db2.gz YWYAEAJRIOWDQB-KBPBESRZSA-N 1 2 324.425 0.461 10 0 DCAELO CCCC[C@@H]1NC(=O)N(C[N@H+]2CC[C@H](N3CCOCC3)C2)C1=O ZINC000172959924 664626075 /nfs/dbraw/zinc/62/60/75/664626075.db2.gz YWYAEAJRIOWDQB-KBPBESRZSA-N 1 2 324.425 0.461 10 0 DCAELO Cc1nn(C)c(C)c1C[NH+]1CCN(CN2CCOC2=S)CC1 ZINC000152665139 664768408 /nfs/dbraw/zinc/76/84/08/664768408.db2.gz GKUBWBPCKMJWQO-UHFFFAOYSA-N 1 2 323.466 0.729 10 0 DCAELO COC(=O)c1cn(C[NH+]2CCC(Cn3cccn3)CC2)nn1 ZINC000152759685 664772948 /nfs/dbraw/zinc/77/29/48/664772948.db2.gz JAEUHORYMJNZSB-UHFFFAOYSA-N 1 2 304.354 0.631 10 0 DCAELO CC(=O)N1CSC[C@@H]1C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000730832234 664817590 /nfs/dbraw/zinc/81/75/90/664817590.db2.gz HEXIZKKGQXTYDW-CYBMUJFWSA-N 1 2 307.375 0.593 10 0 DCAELO CN(CC1CC1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731686005 664877005 /nfs/dbraw/zinc/87/70/05/664877005.db2.gz HVFCKUMWPRIDOT-UHFFFAOYSA-N 1 2 317.455 0.547 10 0 DCAELO C[C@@H]1CC[C@@H](C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)O1 ZINC000153835796 665058690 /nfs/dbraw/zinc/05/86/90/665058690.db2.gz VOXDOSSLCFXQLG-YPMHNXCESA-N 1 2 318.439 0.179 10 0 DCAELO C[C@@H](CNC(=O)NC[C@H](O)c1ccccc1)[NH+]1CCOCC1 ZINC000078432494 670030363 /nfs/dbraw/zinc/03/03/63/670030363.db2.gz AZCZUCOELNUGIT-ZFWWWQNUSA-N 1 2 307.394 0.740 10 0 DCAELO C[C@H]1CN(C(=O)c2cnn(-c3ccccc3)n2)CC[N@@H+]1CCO ZINC000188701593 670038232 /nfs/dbraw/zinc/03/82/32/670038232.db2.gz HRWFXPXOZYTHDJ-ZDUSSCGKSA-N 1 2 315.377 0.406 10 0 DCAELO C[C@H]1CN(C(=O)c2cnn(-c3ccccc3)n2)CC[N@H+]1CCO ZINC000188701593 670038234 /nfs/dbraw/zinc/03/82/34/670038234.db2.gz HRWFXPXOZYTHDJ-ZDUSSCGKSA-N 1 2 315.377 0.406 10 0 DCAELO Cn1cc(C[NH+]2CCC(C(N)=O)CC2)c(Br)n1 ZINC000713862366 670171026 /nfs/dbraw/zinc/17/10/26/670171026.db2.gz YBTRIAUHFJADSQ-UHFFFAOYSA-N 1 2 301.188 0.880 10 0 DCAELO CCS(=O)(=O)NCC[NH2+]Cc1nc(Br)c[nH]1 ZINC000390128821 685259616 /nfs/dbraw/zinc/25/96/16/685259616.db2.gz BHLBXGGVVQNSJS-UHFFFAOYSA-N 1 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198275483 /nfs/dbraw/zinc/27/54/83/198275483.db2.gz HUFQETAETSPBFZ-ABAIWWIYSA-N 1 2 315.377 0.751 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@H]3COCc4ccccc43)C[C@@H]21 ZINC000333509613 283005065 /nfs/dbraw/zinc/00/50/65/283005065.db2.gz IXBPBVWFELPXTF-HRCADAONSA-N 1 2 317.389 0.982 10 0 DCAELO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@H]3COCc4ccccc43)C[C@@H]21 ZINC000333509613 283005067 /nfs/dbraw/zinc/00/50/67/283005067.db2.gz IXBPBVWFELPXTF-HRCADAONSA-N 1 2 317.389 0.982 10 0 DCAELO C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)C2)[C@H]1c1ccccc1 ZINC000332753229 283130067 /nfs/dbraw/zinc/13/00/67/283130067.db2.gz GLSGNWNSNJJYHC-SOUVJXGZSA-N 1 2 322.430 0.983 10 0 DCAELO C[N@H+]1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)C2)[C@H]1c1ccccc1 ZINC000332753229 283130068 /nfs/dbraw/zinc/13/00/68/283130068.db2.gz GLSGNWNSNJJYHC-SOUVJXGZSA-N 1 2 322.430 0.983 10 0 DCAELO CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000081050059 192218535 /nfs/dbraw/zinc/21/85/35/192218535.db2.gz QSDPJWVRHQYEBD-NSHDSACASA-N 1 2 311.304 0.611 10 0 DCAELO CCCCNC(=O)NC(=O)C[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000081050059 192218538 /nfs/dbraw/zinc/21/85/38/192218538.db2.gz QSDPJWVRHQYEBD-NSHDSACASA-N 1 2 311.304 0.611 10 0 DCAELO C[C@@H]1CN(C(=O)c2ccc(O)cc2O)C[C@@H]1[NH+]1CCOCC1 ZINC000179524219 199050558 /nfs/dbraw/zinc/05/05/58/199050558.db2.gz ZCRZKFUXOLEWLN-RISCZKNCSA-N 1 2 306.362 0.891 10 0 DCAELO C[C@@H](CNC(=O)N(C)[C@@H](C)c1cnn(C)c1)[NH+]1CCOCC1 ZINC000180322923 199145530 /nfs/dbraw/zinc/14/55/30/199145530.db2.gz ZKPUVOYLXQFLPT-STQMWFEESA-N 1 2 309.414 0.843 10 0 DCAELO C[C@H](c1cnn(C)c1)[N@H+](C)CC(=O)NCC(=O)N1CCCC1 ZINC000180419338 199156128 /nfs/dbraw/zinc/15/61/28/199156128.db2.gz DCOCVUKBQCYODQ-GFCCVEGCSA-N 1 2 307.398 0.152 10 0 DCAELO C[C@H](c1cnn(C)c1)[N@@H+](C)CC(=O)NCC(=O)N1CCCC1 ZINC000180419338 199156130 /nfs/dbraw/zinc/15/61/30/199156130.db2.gz DCOCVUKBQCYODQ-GFCCVEGCSA-N 1 2 307.398 0.152 10 0 DCAELO Cc1cccc(N(CCC(N)=O)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000156799111 237056096 /nfs/dbraw/zinc/05/60/96/237056096.db2.gz UJOWDOIKKZXHMX-MRXNPFEDSA-N 1 2 321.421 0.370 10 0 DCAELO C[C@@H](O)C[NH+]1CCN(C(=O)CSC[C@H]2CCCCO2)CC1 ZINC000186834079 200018795 /nfs/dbraw/zinc/01/87/95/200018795.db2.gz SRPHXMRXLHBJIB-ZIAGYGMSSA-N 1 2 316.467 0.814 10 0 DCAELO CCOCCNC(=O)C[N@@H+]1CCN(CC(F)F)[C@@H](CC)C1 ZINC000153740432 291208199 /nfs/dbraw/zinc/20/81/99/291208199.db2.gz NMDPBBXOTGTDQM-LBPRGKRZSA-N 1 2 307.385 0.800 10 0 DCAELO CCOCCNC(=O)C[N@H+]1CCN(CC(F)F)[C@@H](CC)C1 ZINC000153740432 291208200 /nfs/dbraw/zinc/20/82/00/291208200.db2.gz NMDPBBXOTGTDQM-LBPRGKRZSA-N 1 2 307.385 0.800 10 0 DCAELO CN(CCCn1cc[nH+]c1)C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000161694447 291242294 /nfs/dbraw/zinc/24/22/94/291242294.db2.gz GVBSIGHRIXRGDT-UHFFFAOYSA-N 1 2 307.354 0.062 10 0 DCAELO Cc1cc(O)cc(=O)n1CC(=O)NCc1ccc[nH+]c1N(C)C ZINC000163341886 291246482 /nfs/dbraw/zinc/24/64/82/291246482.db2.gz JWZXRBIEXYPULK-UHFFFAOYSA-N 1 2 316.361 0.640 10 0 DCAELO Cn1cc(CNC(=O)N(CC2CC2)C[C@H]2C[N@H+](C)CCO2)cn1 ZINC000276422060 238322297 /nfs/dbraw/zinc/32/22/97/238322297.db2.gz LKFCMMYMRBDAMJ-OAHLLOKOSA-N 1 2 321.425 0.672 10 0 DCAELO Cn1cc(CNC(=O)N(CC2CC2)C[C@H]2C[N@@H+](C)CCO2)cn1 ZINC000276422060 238322302 /nfs/dbraw/zinc/32/23/02/238322302.db2.gz LKFCMMYMRBDAMJ-OAHLLOKOSA-N 1 2 321.425 0.672 10 0 DCAELO COc1ccnc(N2CC[C@@H]([N@H+](C)Cc3ncccn3)C2)n1 ZINC000275503296 212377059 /nfs/dbraw/zinc/37/70/59/212377059.db2.gz CCVHADIJMOXWKL-GFCCVEGCSA-N 1 2 300.366 0.986 10 0 DCAELO COc1ccnc(N2CC[C@@H]([N@@H+](C)Cc3ncccn3)C2)n1 ZINC000275503296 212377063 /nfs/dbraw/zinc/37/70/63/212377063.db2.gz CCVHADIJMOXWKL-GFCCVEGCSA-N 1 2 300.366 0.986 10 0 DCAELO COc1ccc(C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)cc1O ZINC000093531041 193264753 /nfs/dbraw/zinc/26/47/53/193264753.db2.gz XVVBUIXTHFUOGN-NSHDSACASA-N 1 2 300.380 0.524 10 0 DCAELO COc1ccc(C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)cc1O ZINC000093531041 193264755 /nfs/dbraw/zinc/26/47/55/193264755.db2.gz XVVBUIXTHFUOGN-NSHDSACASA-N 1 2 300.380 0.524 10 0 DCAELO COC(=O)c1ccccc1C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000093530694 193264932 /nfs/dbraw/zinc/26/49/32/193264932.db2.gz FVFYWIKQDMHPQO-LBPRGKRZSA-N 1 2 312.391 0.597 10 0 DCAELO COC(=O)c1ccccc1C[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000093530694 193264933 /nfs/dbraw/zinc/26/49/33/193264933.db2.gz FVFYWIKQDMHPQO-LBPRGKRZSA-N 1 2 312.391 0.597 10 0 DCAELO O=C(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000571684320 291527999 /nfs/dbraw/zinc/52/79/99/291527999.db2.gz HHQCIIVOLGULFZ-KFWWJZLASA-N 1 2 321.421 0.367 10 0 DCAELO C[C@@H]1C(=O)NCCC[N@H+]1CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000189266662 296260454 /nfs/dbraw/zinc/26/04/54/296260454.db2.gz RABNYYUVQZXVOV-TZMCWYRMSA-N 1 2 317.389 0.837 10 0 DCAELO C[C@@H]1C(=O)NCCC[N@@H+]1CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000189266662 296260456 /nfs/dbraw/zinc/26/04/56/296260456.db2.gz RABNYYUVQZXVOV-TZMCWYRMSA-N 1 2 317.389 0.837 10 0 DCAELO COCCCNc1nc[nH+]c(N(CCOC)CCOC)c1N ZINC000040751943 183128905 /nfs/dbraw/zinc/12/89/05/183128905.db2.gz ZDKJPZXZCGLJOW-UHFFFAOYSA-N 1 2 313.402 0.606 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)NCCc2cn3ccccc3n2)C1 ZINC000104780528 194038829 /nfs/dbraw/zinc/03/88/29/194038829.db2.gz UUWXBXFFPFNHEN-AWEZNQCLSA-N 1 2 317.393 0.507 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)NCCc2cn3ccccc3n2)C1 ZINC000104780528 194038832 /nfs/dbraw/zinc/03/88/32/194038832.db2.gz UUWXBXFFPFNHEN-AWEZNQCLSA-N 1 2 317.393 0.507 10 0 DCAELO CN(C)c1[nH+]cccc1CNC(=O)c1ccc2c(c1)C(=O)NC2=O ZINC000104849474 194046479 /nfs/dbraw/zinc/04/64/79/194046479.db2.gz RUTYWVMHEYYXPX-UHFFFAOYSA-N 1 2 324.340 0.961 10 0 DCAELO CCOCC[N@@H+]1CCN(CCCS(C)(=O)=O)C[C@@H]1CC ZINC000105838644 194143626 /nfs/dbraw/zinc/14/36/26/194143626.db2.gz YCXCPFUUEOXLCK-AWEZNQCLSA-N 1 2 306.472 0.854 10 0 DCAELO CCOCC[N@H+]1CCN(CCCS(C)(=O)=O)C[C@@H]1CC ZINC000105838644 194143628 /nfs/dbraw/zinc/14/36/28/194143628.db2.gz YCXCPFUUEOXLCK-AWEZNQCLSA-N 1 2 306.472 0.854 10 0 DCAELO CCOCCN1CC[N@H+](CCCS(C)(=O)=O)C[C@@H]1CC ZINC000105838644 194143630 /nfs/dbraw/zinc/14/36/30/194143630.db2.gz YCXCPFUUEOXLCK-AWEZNQCLSA-N 1 2 306.472 0.854 10 0 DCAELO CCOCCN1CC[N@@H+](CCCS(C)(=O)=O)C[C@@H]1CC ZINC000105838644 194143633 /nfs/dbraw/zinc/14/36/33/194143633.db2.gz YCXCPFUUEOXLCK-AWEZNQCLSA-N 1 2 306.472 0.854 10 0 DCAELO COCc1cccc(CNC(=O)C[N@@H+]2C[C@@H](F)C[C@H]2CO)c1 ZINC000346433224 254051263 /nfs/dbraw/zinc/05/12/63/254051263.db2.gz YGCHNVRLKABJEY-GJZGRUSLSA-N 1 2 310.369 0.854 10 0 DCAELO COCc1cccc(CNC(=O)C[N@H+]2C[C@@H](F)C[C@H]2CO)c1 ZINC000346433224 254051265 /nfs/dbraw/zinc/05/12/65/254051265.db2.gz YGCHNVRLKABJEY-GJZGRUSLSA-N 1 2 310.369 0.854 10 0 DCAELO C[C@@H](NC(=O)NCc1cc(C(N)=O)co1)[C@H](C)[NH+]1CCOCC1 ZINC000187033248 533182205 /nfs/dbraw/zinc/18/22/05/533182205.db2.gz DBDKAJZEXHXXKZ-MNOVXSKESA-N 1 2 324.381 0.287 10 0 DCAELO O=c1[nH]c2cc(-c3nc([C@H]4C[NH+]5CCN4CC5)no3)ccc2o1 ZINC000289564699 221071862 /nfs/dbraw/zinc/07/18/62/221071862.db2.gz FMVNHMFYVYUPTN-LLVKDONJSA-N 1 2 313.317 0.843 10 0 DCAELO C[C@@H]1OCC[C@H]1NC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000275569596 130338322 /nfs/dbraw/zinc/33/83/22/130338322.db2.gz ISUPUWWTSILEOR-YNEHKIRRSA-N 1 2 307.398 0.596 10 0 DCAELO Cn1ncc(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)c1C1CC1 ZINC000284495603 131086796 /nfs/dbraw/zinc/08/67/96/131086796.db2.gz NELRGFGYHUALTD-UONOGXRCSA-N 1 2 304.394 0.843 10 0 DCAELO Cn1ncc(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)c1C1CC1 ZINC000284495603 131086798 /nfs/dbraw/zinc/08/67/98/131086798.db2.gz NELRGFGYHUALTD-UONOGXRCSA-N 1 2 304.394 0.843 10 0 DCAELO Cn1cc(CCCNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)cn1 ZINC000285436224 131168277 /nfs/dbraw/zinc/16/82/77/131168277.db2.gz OCROZBVIKAFDJX-CABCVRRESA-N 1 2 321.425 0.467 10 0 DCAELO Cn1cc(CCCNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)cn1 ZINC000285436224 131168278 /nfs/dbraw/zinc/16/82/78/131168278.db2.gz OCROZBVIKAFDJX-CABCVRRESA-N 1 2 321.425 0.467 10 0 DCAELO Cn1cc(CCCNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)cn1 ZINC000285436229 131168662 /nfs/dbraw/zinc/16/86/62/131168662.db2.gz OCROZBVIKAFDJX-HUUCEWRRSA-N 1 2 321.425 0.467 10 0 DCAELO Cn1cc(CCCNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)cn1 ZINC000285436229 131168664 /nfs/dbraw/zinc/16/86/64/131168664.db2.gz OCROZBVIKAFDJX-HUUCEWRRSA-N 1 2 321.425 0.467 10 0 DCAELO CCc1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCO2)cc1F ZINC000164132056 132129161 /nfs/dbraw/zinc/12/91/61/132129161.db2.gz JSSLUOPOEQOTFO-ZDUSSCGKSA-N 1 2 323.368 0.773 10 0 DCAELO CCc1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1F ZINC000164132056 132129163 /nfs/dbraw/zinc/12/91/63/132129163.db2.gz JSSLUOPOEQOTFO-ZDUSSCGKSA-N 1 2 323.368 0.773 10 0 DCAELO COc1cccc([C@H](O)C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000164221069 132132725 /nfs/dbraw/zinc/13/27/25/132132725.db2.gz OQSWSYSSBCLSHG-CVEARBPZSA-N 1 2 320.389 0.708 10 0 DCAELO COc1cccc([C@H](O)C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000164221069 132132727 /nfs/dbraw/zinc/13/27/27/132132727.db2.gz OQSWSYSSBCLSHG-CVEARBPZSA-N 1 2 320.389 0.708 10 0 DCAELO Cc1ccc(F)cc1NC(=O)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000041600952 395738503 /nfs/dbraw/zinc/73/85/03/395738503.db2.gz GGOIUYZOROHYLO-LBPRGKRZSA-N 1 2 323.368 0.910 10 0 DCAELO O=C(N[C@@H]1CCS(=O)(=O)C1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105064509 395779986 /nfs/dbraw/zinc/77/99/86/395779986.db2.gz DDMYJOBYMGULCX-NEPJUHHUSA-N 1 2 301.412 0.053 10 0 DCAELO O=C(N[C@@H]1CCS(=O)(=O)C1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000105064509 395779990 /nfs/dbraw/zinc/77/99/90/395779990.db2.gz DDMYJOBYMGULCX-NEPJUHHUSA-N 1 2 301.412 0.053 10 0 DCAELO NS(=O)(=O)NC[C@H]1CCCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000112555295 395819615 /nfs/dbraw/zinc/81/96/15/395819615.db2.gz PWYGCCPRFPFIDY-SNVBAGLBSA-N 1 2 311.411 0.364 10 0 DCAELO O=C1NC(C2CC2)(C2CC2)C(=O)N1CCC[NH+]1CCOCC1 ZINC000195200085 395820930 /nfs/dbraw/zinc/82/09/30/395820930.db2.gz HXYWDGISZRMZQF-UHFFFAOYSA-N 1 2 307.394 0.819 10 0 DCAELO COC[C@H](C)NC(=O)NC(=O)C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000195506251 395829886 /nfs/dbraw/zinc/82/98/86/395829886.db2.gz RJXCPVXKUGRJBN-NSHDSACASA-N 1 2 323.397 0.450 10 0 DCAELO Cc1nc(S(=O)(=O)NCc2ccc[nH+]c2N(C)C)cn1C ZINC000195527541 395831540 /nfs/dbraw/zinc/83/15/40/395831540.db2.gz QDLDLFOVGGQPON-UHFFFAOYSA-N 1 2 309.395 0.668 10 0 DCAELO O=C(C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1)NCC(=O)N1CCCC1 ZINC000114203077 395833164 /nfs/dbraw/zinc/83/31/64/395833164.db2.gz XEQIPDLIPJRTLA-CQSZACIVSA-N 1 2 319.409 0.675 10 0 DCAELO O=C(C[N@H+]1CCCC[C@@H]1c1cn[nH]c1)NCC(=O)N1CCCC1 ZINC000114203077 395833165 /nfs/dbraw/zinc/83/31/65/395833165.db2.gz XEQIPDLIPJRTLA-CQSZACIVSA-N 1 2 319.409 0.675 10 0 DCAELO Cc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000116889357 395848641 /nfs/dbraw/zinc/84/86/41/395848641.db2.gz JJIDPWBYMOQWNJ-GFCCVEGCSA-N 1 2 311.407 0.557 10 0 DCAELO Cc1ccccc1NC(=O)C[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000116889357 395848644 /nfs/dbraw/zinc/84/86/44/395848644.db2.gz JJIDPWBYMOQWNJ-GFCCVEGCSA-N 1 2 311.407 0.557 10 0 DCAELO CS(=O)(=O)N[C@H]1CC[N@H+](C[C@H](O)c2c(F)cccc2F)C1 ZINC000116890317 395849023 /nfs/dbraw/zinc/84/90/23/395849023.db2.gz KNHOECWSGOSFKO-CABZTGNLSA-N 1 2 320.361 0.622 10 0 DCAELO CS(=O)(=O)N[C@H]1CC[N@@H+](C[C@H](O)c2c(F)cccc2F)C1 ZINC000116890317 395849024 /nfs/dbraw/zinc/84/90/24/395849024.db2.gz KNHOECWSGOSFKO-CABZTGNLSA-N 1 2 320.361 0.622 10 0 DCAELO C[N@H+](CC(=O)NC1CC1)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000051857075 395855574 /nfs/dbraw/zinc/85/55/74/395855574.db2.gz AFXYOOFUYDNRJA-UONOGXRCSA-N 1 2 309.410 0.367 10 0 DCAELO C[N@@H+](CC(=O)NC1CC1)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000051857075 395855577 /nfs/dbraw/zinc/85/55/77/395855577.db2.gz AFXYOOFUYDNRJA-UONOGXRCSA-N 1 2 309.410 0.367 10 0 DCAELO CNc1[nH+]cnc2c1cnn2CC(=O)Nc1cc(C)nn1C ZINC000194429513 395796632 /nfs/dbraw/zinc/79/66/32/395796632.db2.gz QKEGZLJFYKVRDL-UHFFFAOYSA-N 1 2 300.326 0.549 10 0 DCAELO COC(=O)CNC(=O)CC[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000125479545 395902883 /nfs/dbraw/zinc/90/28/83/395902883.db2.gz OKZYUGYMCWXBCX-LBPRGKRZSA-N 1 2 312.391 0.801 10 0 DCAELO COC(=O)CNC(=O)CC[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000125479545 395902885 /nfs/dbraw/zinc/90/28/85/395902885.db2.gz OKZYUGYMCWXBCX-LBPRGKRZSA-N 1 2 312.391 0.801 10 0 DCAELO CC(=O)N1CCC[N@H+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000052310521 395862629 /nfs/dbraw/zinc/86/26/29/395862629.db2.gz ASPNQGGHICEWHX-JKSUJKDBSA-N 1 2 323.437 0.711 10 0 DCAELO CC(=O)N1CCC[N@@H+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000052310521 395862631 /nfs/dbraw/zinc/86/26/31/395862631.db2.gz ASPNQGGHICEWHX-JKSUJKDBSA-N 1 2 323.437 0.711 10 0 DCAELO CCCN(C)S(=O)(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000119565165 395872284 /nfs/dbraw/zinc/87/22/84/395872284.db2.gz QMJTXDUAQJRNAM-UHFFFAOYSA-N 1 2 309.395 0.944 10 0 DCAELO CC[C@@H]1CN(C(=O)C(=O)c2cnn(CC)c2)CC[N@@H+]1CCOC ZINC000135101953 395936996 /nfs/dbraw/zinc/93/69/96/395936996.db2.gz UULBJXDJJKJCOJ-CQSZACIVSA-N 1 2 322.409 0.655 10 0 DCAELO CC[C@@H]1CN(C(=O)C(=O)c2cnn(CC)c2)CC[N@H+]1CCOC ZINC000135101953 395937001 /nfs/dbraw/zinc/93/70/01/395937001.db2.gz UULBJXDJJKJCOJ-CQSZACIVSA-N 1 2 322.409 0.655 10 0 DCAELO COC(=O)[C@H](C)CS(=O)(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246523239 395951895 /nfs/dbraw/zinc/95/18/95/395951895.db2.gz UJLHLGFMWVQCIM-NEPJUHHUSA-N 1 2 304.412 0.295 10 0 DCAELO COC(=O)[C@H](C)CS(=O)(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000246523239 395951897 /nfs/dbraw/zinc/95/18/97/395951897.db2.gz UJLHLGFMWVQCIM-NEPJUHHUSA-N 1 2 304.412 0.295 10 0 DCAELO COC(=O)[C@@H]1CCC[C@H](C(=O)NC[C@@H](C)[NH+]2CCOCC2)C1 ZINC000247236690 395969703 /nfs/dbraw/zinc/96/97/03/395969703.db2.gz XJYPRHWRURAWHW-HZSPNIEDSA-N 1 2 312.410 0.803 10 0 DCAELO CN1C[C@@H](Nc2cc(N3CCC[C@@H]3CO)nc[nH+]2)CCC1=O ZINC000150879079 395974237 /nfs/dbraw/zinc/97/42/37/395974237.db2.gz JVOWMROIVWBRLH-NWDGAFQWSA-N 1 2 305.382 0.470 10 0 DCAELO CN1C[C@@H](Nc2cc(N3CCC[C@@H]3CO)[nH+]cn2)CCC1=O ZINC000150879079 395974239 /nfs/dbraw/zinc/97/42/39/395974239.db2.gz JVOWMROIVWBRLH-NWDGAFQWSA-N 1 2 305.382 0.470 10 0 DCAELO CCOCC[N@@H+]1CCN(S(=O)(=O)CCOC(C)C)C[C@H]1C ZINC000248334306 395984290 /nfs/dbraw/zinc/98/42/90/395984290.db2.gz GCJJDIUSWQOITR-CQSZACIVSA-N 1 2 322.471 0.784 10 0 DCAELO CCOCC[N@H+]1CCN(S(=O)(=O)CCOC(C)C)C[C@H]1C ZINC000248334306 395984293 /nfs/dbraw/zinc/98/42/93/395984293.db2.gz GCJJDIUSWQOITR-CQSZACIVSA-N 1 2 322.471 0.784 10 0 DCAELO CC(=O)c1cccc(OC[C@H](O)C[N@@H+]2CCCNC(=O)[C@H]2C)c1 ZINC000249023510 396001832 /nfs/dbraw/zinc/00/18/32/396001832.db2.gz KNFNSIBZHOGUIQ-IUODEOHRSA-N 1 2 320.389 0.839 10 0 DCAELO CC(=O)c1cccc(OC[C@H](O)C[N@H+]2CCCNC(=O)[C@H]2C)c1 ZINC000249023510 396001835 /nfs/dbraw/zinc/00/18/35/396001835.db2.gz KNFNSIBZHOGUIQ-IUODEOHRSA-N 1 2 320.389 0.839 10 0 DCAELO CCn1cc([C@@H]2C[N@H+](C[C@@H](O)Cn3cccn3)CCO2)cn1 ZINC000248690829 395994579 /nfs/dbraw/zinc/99/45/79/395994579.db2.gz ACTKTVDBOLTYIL-CABCVRRESA-N 1 2 305.382 0.534 10 0 DCAELO CCn1cc([C@@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)CCO2)cn1 ZINC000248690829 395994582 /nfs/dbraw/zinc/99/45/82/395994582.db2.gz ACTKTVDBOLTYIL-CABCVRRESA-N 1 2 305.382 0.534 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)Nc2cnn(CC(F)(F)F)c2)C1 ZINC000151971284 395997503 /nfs/dbraw/zinc/99/75/03/395997503.db2.gz XUDOJVREMLTHPU-JTQLQIEISA-N 1 2 321.303 0.898 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)Nc2cnn(CC(F)(F)F)c2)C1 ZINC000151971284 395997507 /nfs/dbraw/zinc/99/75/07/395997507.db2.gz XUDOJVREMLTHPU-JTQLQIEISA-N 1 2 321.303 0.898 10 0 DCAELO CO[C@@H]1C[N@@H+]([C@H]2CCN(c3cc(C)nn3C)C2=O)C[C@@H]1OC ZINC000276978144 396041461 /nfs/dbraw/zinc/04/14/61/396041461.db2.gz YYCVPPHKSBKIQB-RWMBFGLXSA-N 1 2 308.382 0.179 10 0 DCAELO CO[C@@H]1C[N@H+]([C@H]2CCN(c3cc(C)nn3C)C2=O)C[C@@H]1OC ZINC000276978144 396041464 /nfs/dbraw/zinc/04/14/64/396041464.db2.gz YYCVPPHKSBKIQB-RWMBFGLXSA-N 1 2 308.382 0.179 10 0 DCAELO C[S@](=O)CCC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000155835264 396058378 /nfs/dbraw/zinc/05/83/78/396058378.db2.gz NVQDYMCAEAVPKG-ZUOKHONESA-N 1 2 302.440 0.326 10 0 DCAELO Cc1cnn(C[C@@H]2C[N@H+](CCN3CCO[C@@H](C)C3)CCO2)c1 ZINC000249107463 396002821 /nfs/dbraw/zinc/00/28/21/396002821.db2.gz XHTOEYKDQHNUBR-HOTGVXAUSA-N 1 2 308.426 0.613 10 0 DCAELO Cc1cnn(C[C@@H]2C[N@@H+](CCN3CCO[C@@H](C)C3)CCO2)c1 ZINC000249107463 396002826 /nfs/dbraw/zinc/00/28/26/396002826.db2.gz XHTOEYKDQHNUBR-HOTGVXAUSA-N 1 2 308.426 0.613 10 0 DCAELO CC[C@@H](NS(N)(=O)=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000152310212 396005302 /nfs/dbraw/zinc/00/53/02/396005302.db2.gz WGYKKOAYVBCOFQ-KGLIPLIRSA-N 1 2 313.423 0.459 10 0 DCAELO CC[C@@H](NS(N)(=O)=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000152310212 396005305 /nfs/dbraw/zinc/00/53/05/396005305.db2.gz WGYKKOAYVBCOFQ-KGLIPLIRSA-N 1 2 313.423 0.459 10 0 DCAELO C[C@H]1CN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)CC[N@@H+]1CCO ZINC000249516789 396009196 /nfs/dbraw/zinc/00/91/96/396009196.db2.gz RRELQLOKQXDUCZ-RDGKXADDSA-N 1 2 308.422 0.907 10 0 DCAELO C[C@H]1CN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)CC[N@H+]1CCO ZINC000249516789 396009198 /nfs/dbraw/zinc/00/91/98/396009198.db2.gz RRELQLOKQXDUCZ-RDGKXADDSA-N 1 2 308.422 0.907 10 0 DCAELO CC[C@H](C)NC(=O)[C@H](C)NC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000250154739 396013836 /nfs/dbraw/zinc/01/38/36/396013836.db2.gz NQFBMVRSQFKCJM-AVGNSLFASA-N 1 2 314.430 0.310 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2Cc3ccccc3C(=O)O2)C1 ZINC000250424851 396014601 /nfs/dbraw/zinc/01/46/01/396014601.db2.gz FJMJUXJZDPKPQO-TZMCWYRMSA-N 1 2 304.346 0.215 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)[C@H]2Cc3ccccc3C(=O)O2)C1 ZINC000250424851 396014605 /nfs/dbraw/zinc/01/46/05/396014605.db2.gz FJMJUXJZDPKPQO-TZMCWYRMSA-N 1 2 304.346 0.215 10 0 DCAELO COc1ccc(CNC(=O)NC[C@H]2C[N@H+](C)CCO2)cc1F ZINC000170921283 396101140 /nfs/dbraw/zinc/10/11/40/396101140.db2.gz PHJNDVJFNMMOQO-LBPRGKRZSA-N 1 2 311.357 0.964 10 0 DCAELO COc1ccc(CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1F ZINC000170921283 396101143 /nfs/dbraw/zinc/10/11/43/396101143.db2.gz PHJNDVJFNMMOQO-LBPRGKRZSA-N 1 2 311.357 0.964 10 0 DCAELO O=C(NCCCN1CCCC1=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173780191 396136242 /nfs/dbraw/zinc/13/62/42/396136242.db2.gz CAANBNNDOKJWLE-CQSZACIVSA-N 1 2 324.425 0.115 10 0 DCAELO O=C(NCc1cccc(-n2cncn2)c1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263195563 396205020 /nfs/dbraw/zinc/20/50/20/396205020.db2.gz IHYPDCDSQGILKO-GFCCVEGCSA-N 1 2 307.304 0.881 10 0 DCAELO O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCC(N2CCCC2=O)CC1 ZINC000263311329 396212867 /nfs/dbraw/zinc/21/28/67/396212867.db2.gz YRBYMEBQQQXSBP-NSHDSACASA-N 1 2 301.337 0.597 10 0 DCAELO CC(C)c1nnc2n1C[C@@H](NC(=O)[C@@H]1CC(F)(F)C[NH2+]1)CC2 ZINC000263244788 396208350 /nfs/dbraw/zinc/20/83/50/396208350.db2.gz PDNDYQPHKFPHPE-UWVGGRQHSA-N 1 2 313.352 0.830 10 0 DCAELO O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCC(Nc2cccnn2)CC1 ZINC000263245872 396208592 /nfs/dbraw/zinc/20/85/92/396208592.db2.gz PHGGXUAOOAQJKU-LLVKDONJSA-N 1 2 311.336 0.877 10 0 DCAELO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1nnc(NS(C)(=O)=O)s1 ZINC000262598386 396159605 /nfs/dbraw/zinc/15/96/05/396159605.db2.gz AKGVNEJOUGXZDE-PHDIDXHHSA-N 1 2 307.401 0.222 10 0 DCAELO C[C@H]1CN(C(=O)NCCn2ccnc2)C[C@H]1[NH+]1CCOCC1 ZINC000177298167 396171100 /nfs/dbraw/zinc/17/11/00/396171100.db2.gz GDWCVBQZKYKCBH-UONOGXRCSA-N 1 2 307.398 0.245 10 0 DCAELO Cn1cc(N2CC[N@H+](C[C@](C)(O)c3ccccc3)CC2=O)cn1 ZINC000177444672 396175666 /nfs/dbraw/zinc/17/56/66/396175666.db2.gz UHLFCAKPQOVFAJ-KRWDZBQOSA-N 1 2 314.389 0.976 10 0 DCAELO Cn1cc(N2CC[N@@H+](C[C@](C)(O)c3ccccc3)CC2=O)cn1 ZINC000177444672 396175670 /nfs/dbraw/zinc/17/56/70/396175670.db2.gz UHLFCAKPQOVFAJ-KRWDZBQOSA-N 1 2 314.389 0.976 10 0 DCAELO O=C(NCc1cn2c([nH+]1)CCCC2)N1CC(=O)N(C2CC2)C1 ZINC000279554130 396182619 /nfs/dbraw/zinc/18/26/19/396182619.db2.gz MUZZKZFUGCMBKF-UHFFFAOYSA-N 1 2 303.366 0.693 10 0 DCAELO O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCC(N2CCCCC2=O)CC1 ZINC000263078010 396200681 /nfs/dbraw/zinc/20/06/81/396200681.db2.gz XHRJSLXNXWDJAI-GFCCVEGCSA-N 1 2 315.364 0.987 10 0 DCAELO Cn1ccnc1CN1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263164865 396204344 /nfs/dbraw/zinc/20/43/44/396204344.db2.gz FDFHAUJIIXIABP-NSHDSACASA-N 1 2 313.352 0.062 10 0 DCAELO Cn1cc([C@@H]2C[NH2+]CCN2S(=O)(=O)c2ccccc2F)cn1 ZINC000181702922 396241378 /nfs/dbraw/zinc/24/13/78/396241378.db2.gz MXOYRFOMMIESQM-ZDUSSCGKSA-N 1 2 324.381 0.894 10 0 DCAELO CC(C)(CNC(=O)NCCCn1ccnn1)[NH+]1CCOCC1 ZINC000182041064 396246084 /nfs/dbraw/zinc/24/60/84/396246084.db2.gz MEQLGOMUTMFXTO-UHFFFAOYSA-N 1 2 310.402 0.078 10 0 DCAELO O=C(NCCNC(=O)C1CC1)NCc1cn2c([nH+]1)CCCC2 ZINC000263767112 396229547 /nfs/dbraw/zinc/22/95/47/396229547.db2.gz JFGHWYJOQUVPLK-UHFFFAOYSA-N 1 2 305.382 0.545 10 0 DCAELO COCCCCS(=O)(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000185012014 396314401 /nfs/dbraw/zinc/31/44/01/396314401.db2.gz FILXZKAAGZBWRX-UHFFFAOYSA-N 1 2 322.471 0.785 10 0 DCAELO COCC(=O)NC1C[NH+](C[C@@H](O)COc2cc(C)ccc2C)C1 ZINC000185093898 396317657 /nfs/dbraw/zinc/31/76/57/396317657.db2.gz RUBSMOIGGKTIII-OAHLLOKOSA-N 1 2 322.405 0.490 10 0 DCAELO CC[C@@H]([NH2+]CC(=O)NCC(=O)N1CCCC1)c1nccs1 ZINC000185097714 396318012 /nfs/dbraw/zinc/31/80/12/396318012.db2.gz ZLTSAOLSMPKWMQ-LLVKDONJSA-N 1 2 310.423 0.922 10 0 DCAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCc1nnc2n1CCCC2 ZINC000184277146 396289566 /nfs/dbraw/zinc/28/95/66/396289566.db2.gz JLSNWPVGXJICPL-CYBMUJFWSA-N 1 2 321.425 0.732 10 0 DCAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)NCc1nnc2n1CCCC2 ZINC000184277146 396289569 /nfs/dbraw/zinc/28/95/69/396289569.db2.gz JLSNWPVGXJICPL-CYBMUJFWSA-N 1 2 321.425 0.732 10 0 DCAELO CCCCn1cc(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)c(C)n1 ZINC000184350602 396292028 /nfs/dbraw/zinc/29/20/28/396292028.db2.gz PFHMVDFQWYRZGO-CQSZACIVSA-N 1 2 324.425 0.415 10 0 DCAELO O=C(C[NH+]1CCN(C[C@H](O)C(F)(F)F)CC1)N1CCCCC1 ZINC000185143697 396319936 /nfs/dbraw/zinc/31/99/36/396319936.db2.gz BGOUGKBWVFHBRZ-LBPRGKRZSA-N 1 2 323.359 0.540 10 0 DCAELO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1nc(N(C)C)no1)CC2 ZINC000185266249 396324041 /nfs/dbraw/zinc/32/40/41/396324041.db2.gz KPZJZORQGKZVME-VXGBXAGGSA-N 1 2 310.398 0.888 10 0 DCAELO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1nc(N(C)C)no1)CC2 ZINC000185266264 396324082 /nfs/dbraw/zinc/32/40/82/396324082.db2.gz KPZJZORQGKZVME-NEPJUHHUSA-N 1 2 310.398 0.888 10 0 DCAELO C[C@]1(C(N)=O)CCCC[N@@H+]1CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000185923614 396337309 /nfs/dbraw/zinc/33/73/09/396337309.db2.gz GLICCVHSGHTYJZ-GRDNDAEWSA-N 1 2 323.437 0.886 10 0 DCAELO C[C@]1(C(N)=O)CCCC[N@H+]1CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000185923614 396337311 /nfs/dbraw/zinc/33/73/11/396337311.db2.gz GLICCVHSGHTYJZ-GRDNDAEWSA-N 1 2 323.437 0.886 10 0 DCAELO Nc1ccc(S(=O)(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cc1 ZINC000186020133 396339481 /nfs/dbraw/zinc/33/94/81/396339481.db2.gz PHYYWPKXWYAQHV-ZDUSSCGKSA-N 1 2 311.407 0.410 10 0 DCAELO Nc1ccc(S(=O)(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cc1 ZINC000186020133 396339484 /nfs/dbraw/zinc/33/94/84/396339484.db2.gz PHYYWPKXWYAQHV-ZDUSSCGKSA-N 1 2 311.407 0.410 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2nc(Br)cs2)C1 ZINC000187429334 396369963 /nfs/dbraw/zinc/36/99/63/396369963.db2.gz AMYGQRGKWLSIFQ-ZETCQYMHSA-N 1 2 320.212 0.966 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)c2nc(Br)cs2)C1 ZINC000187429334 396369965 /nfs/dbraw/zinc/36/99/65/396369965.db2.gz AMYGQRGKWLSIFQ-ZETCQYMHSA-N 1 2 320.212 0.966 10 0 DCAELO CC(=O)N1CC(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000188432658 396382622 /nfs/dbraw/zinc/38/26/22/396382622.db2.gz IAZIXIIBKWDTFS-OAHLLOKOSA-N 1 2 309.410 0.178 10 0 DCAELO C[C@H]1CN(C(=O)CSCc2ccncc2)CC[N@@H+]1CCO ZINC000188749859 396385538 /nfs/dbraw/zinc/38/55/38/396385538.db2.gz FTQSKYKHJLESIC-ZDUSSCGKSA-N 1 2 309.435 0.840 10 0 DCAELO C[C@H]1CN(C(=O)CSCc2ccncc2)CC[N@H+]1CCO ZINC000188749859 396385540 /nfs/dbraw/zinc/38/55/40/396385540.db2.gz FTQSKYKHJLESIC-ZDUSSCGKSA-N 1 2 309.435 0.840 10 0 DCAELO Cc1cc(C)nc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)c1 ZINC000193110261 396444592 /nfs/dbraw/zinc/44/45/92/396444592.db2.gz UGKQXDVKFBCAPB-UHFFFAOYSA-N 1 2 302.378 0.944 10 0 DCAELO FC(F)(F)Cn1nnnc1CN1CC[C@H]([NH+]2CCOCC2)C1 ZINC000190916012 396413002 /nfs/dbraw/zinc/41/30/02/396413002.db2.gz LSSYTDVRPYJUOP-JTQLQIEISA-N 1 2 320.319 0.142 10 0 DCAELO NC(=O)c1ccccc1CC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000192050843 396429052 /nfs/dbraw/zinc/42/90/52/396429052.db2.gz GZEIIFGILBRKFJ-CQSZACIVSA-N 1 2 317.389 0.261 10 0 DCAELO CCOC1CC(CNC(=O)N[C@@H]2C[C@H]2C)([NH+]2CCOCC2)C1 ZINC000192476143 396431333 /nfs/dbraw/zinc/43/13/33/396431333.db2.gz UPMUAODAOGDJGZ-ILTLLKDXSA-N 1 2 311.426 0.964 10 0 DCAELO C[C@H](NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)c1cnn(C)c1 ZINC000561004577 396627277 /nfs/dbraw/zinc/62/72/77/396627277.db2.gz XWMPYBPXYMNGQP-JTQLQIEISA-N 1 2 312.333 0.884 10 0 DCAELO CN(C[C@@H]1CCC[C@@H]1O)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000561016950 396628315 /nfs/dbraw/zinc/62/83/15/396628315.db2.gz ZIDCVVGIPNESDZ-AAEUAGOBSA-N 1 2 316.361 0.892 10 0 DCAELO O=C(Cc1cn2ccccc2[nH+]1)N1CCN2CCOC[C@@H]2C1 ZINC000374923410 396698110 /nfs/dbraw/zinc/69/81/10/396698110.db2.gz DQISQPFZEJUTJN-AWEZNQCLSA-N 1 2 300.362 0.420 10 0 DCAELO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)[C@@H]1CNC(=O)C1 ZINC000312037237 396763054 /nfs/dbraw/zinc/76/30/54/396763054.db2.gz PJWVQALNBHDTIC-GJZGRUSLSA-N 1 2 317.389 0.140 10 0 DCAELO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@H]1CNC(=O)C1 ZINC000312037237 396763058 /nfs/dbraw/zinc/76/30/58/396763058.db2.gz PJWVQALNBHDTIC-GJZGRUSLSA-N 1 2 317.389 0.140 10 0 DCAELO CCN1CCN(C(=O)Cc2cc[nH]n2)C[C@@H]1c1[nH+]ccn1C ZINC000328622858 396825256 /nfs/dbraw/zinc/82/52/56/396825256.db2.gz ISJSSHWDVUIZKX-CYBMUJFWSA-N 1 2 302.382 0.591 10 0 DCAELO Cc1cc(C(=O)N2CCN(C)[C@@H](c3[nH]cc[nH+]3)C2)[nH]c(=O)n1 ZINC000328633930 396826483 /nfs/dbraw/zinc/82/64/83/396826483.db2.gz SWNLUOAJJGJYFX-LLVKDONJSA-N 1 2 302.338 0.343 10 0 DCAELO Cc1cc(C(=O)N2CCN(C)[C@H](c3[nH]cc[nH+]3)C2)cc(=O)[nH]1 ZINC000328630049 396827088 /nfs/dbraw/zinc/82/70/88/396827088.db2.gz PLAKDOPUWIQTTJ-LBPRGKRZSA-N 1 2 301.350 0.948 10 0 DCAELO C[N@@H+]1CCO[C@H](CN(CC(N)=O)C(=O)C[C@@H]2CCCCO2)C1 ZINC000328641648 396828462 /nfs/dbraw/zinc/82/84/62/396828462.db2.gz QRJBFCYBMILOPS-STQMWFEESA-N 1 2 313.398 0.640 10 0 DCAELO C[N@H+]1CCO[C@H](CN(CC(N)=O)C(=O)C[C@@H]2CCCCO2)C1 ZINC000328641648 396828472 /nfs/dbraw/zinc/82/84/72/396828472.db2.gz QRJBFCYBMILOPS-STQMWFEESA-N 1 2 313.398 0.640 10 0 DCAELO CC(=O)NC1(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)CCCCC1 ZINC000332761660 396891716 /nfs/dbraw/zinc/89/17/16/396891716.db2.gz TYGJISJPXZIBOK-HUUCEWRRSA-N 1 2 323.437 0.757 10 0 DCAELO CC(=O)NC1(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)CCCCC1 ZINC000332761660 396891721 /nfs/dbraw/zinc/89/17/21/396891721.db2.gz TYGJISJPXZIBOK-HUUCEWRRSA-N 1 2 323.437 0.757 10 0 DCAELO CS[C@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000569876616 396921786 /nfs/dbraw/zinc/92/17/86/396921786.db2.gz RAEFDRZVVOUUTA-GXSJLCMTSA-N 1 2 322.390 0.501 10 0 DCAELO CC(=O)c1nc(CC[NH+]2CCN(c3nccnn3)CC2)[nH]c1C ZINC000625641892 396963872 /nfs/dbraw/zinc/96/38/72/396963872.db2.gz GRKQQOYVOZLKHK-UHFFFAOYSA-N 1 2 315.381 0.470 10 0 DCAELO C[C@H](NC(=O)N1CC[C@H](CC(N)=O)C1)[C@H](C)[NH+]1CCOCC1 ZINC000376755125 396975109 /nfs/dbraw/zinc/97/51/09/396975109.db2.gz LHVVNCHLJUUGIN-RWMBFGLXSA-N 1 2 312.414 0.003 10 0 DCAELO O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000571684325 396978045 /nfs/dbraw/zinc/97/80/45/396978045.db2.gz HHQCIIVOLGULFZ-ZNMIVQPWSA-N 1 2 321.421 0.367 10 0 DCAELO Cc1conc1C(=O)N1CC[N@@H+](C[C@@H]2CN(C)CCO2)C[C@@H]1C ZINC000630939563 397139903 /nfs/dbraw/zinc/13/99/03/397139903.db2.gz GQDGBCBBPPMKTH-KBPBESRZSA-N 1 2 322.409 0.460 10 0 DCAELO Cc1conc1C(=O)N1CC[N@H+](C[C@@H]2CN(C)CCO2)C[C@@H]1C ZINC000630939563 397139911 /nfs/dbraw/zinc/13/99/11/397139911.db2.gz GQDGBCBBPPMKTH-KBPBESRZSA-N 1 2 322.409 0.460 10 0 DCAELO CCS(=O)(=O)CCCCC[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000364483025 397209168 /nfs/dbraw/zinc/20/91/68/397209168.db2.gz WOAQAHMCMQNACE-CQSZACIVSA-N 1 2 304.456 0.608 10 0 DCAELO CCS(=O)(=O)CCCCC[N@H+]1CCN2CCOC[C@H]2C1 ZINC000364483025 397209175 /nfs/dbraw/zinc/20/91/75/397209175.db2.gz WOAQAHMCMQNACE-CQSZACIVSA-N 1 2 304.456 0.608 10 0 DCAELO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC000364902208 397246958 /nfs/dbraw/zinc/24/69/58/397246958.db2.gz NUFVAEKODGDULR-RVMXOQNASA-N 1 2 301.408 0.695 10 0 DCAELO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC000364902208 397246960 /nfs/dbraw/zinc/24/69/60/397246960.db2.gz NUFVAEKODGDULR-RVMXOQNASA-N 1 2 301.408 0.695 10 0 DCAELO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)c2ccc[nH]2)CC1 ZINC000408125512 397348458 /nfs/dbraw/zinc/34/84/58/397348458.db2.gz AOHXLWWIJFFUHO-ZDUSSCGKSA-N 1 2 320.393 0.020 10 0 DCAELO CCOc1ncnc2c1C[N@H+](C[C@H](O)Cn1cccn1)CC2 ZINC000368845568 397428546 /nfs/dbraw/zinc/42/85/46/397428546.db2.gz MXJHSMLPOXZCJO-LBPRGKRZSA-N 1 2 303.366 0.491 10 0 DCAELO CCOc1ncnc2c1C[N@@H+](C[C@H](O)Cn1cccn1)CC2 ZINC000368845568 397428548 /nfs/dbraw/zinc/42/85/48/397428548.db2.gz MXJHSMLPOXZCJO-LBPRGKRZSA-N 1 2 303.366 0.491 10 0 DCAELO COC(=O)c1cn(CC(=O)Nc2ccc3[nH+]ccn3c2)nn1 ZINC000610473033 397823900 /nfs/dbraw/zinc/82/39/00/397823900.db2.gz PKIQAVUNISATEK-UHFFFAOYSA-N 1 2 300.278 0.351 10 0 DCAELO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+]2[C@H](C)COC[C@@H]2C)C1 ZINC000077657637 158069021 /nfs/dbraw/zinc/06/90/21/158069021.db2.gz FGUVHLUZDGBCPV-MJBXVCDLSA-N 1 2 312.410 0.897 10 0 DCAELO CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2[C@H](C)COC[C@@H]2C)C1 ZINC000077657637 158069022 /nfs/dbraw/zinc/06/90/22/158069022.db2.gz FGUVHLUZDGBCPV-MJBXVCDLSA-N 1 2 312.410 0.897 10 0 DCAELO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CC(=O)N1CCN(C)CC1 ZINC000093168517 158118821 /nfs/dbraw/zinc/11/88/21/158118821.db2.gz IVYFFTJHXPCXIV-CQSZACIVSA-N 1 2 310.442 0.093 10 0 DCAELO CCN(CC)C(=O)[C@H]1CCC[N@H+]1CC(=O)N1CCN(C)CC1 ZINC000093168517 158118822 /nfs/dbraw/zinc/11/88/22/158118822.db2.gz IVYFFTJHXPCXIV-CQSZACIVSA-N 1 2 310.442 0.093 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)NCC(=O)Nc2ccccc2)C1 ZINC000104798282 158129667 /nfs/dbraw/zinc/12/96/67/158129667.db2.gz SIENTESRLVWLEF-CYBMUJFWSA-N 1 2 306.366 0.255 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)NCC(=O)Nc2ccccc2)C1 ZINC000104798282 158129669 /nfs/dbraw/zinc/12/96/69/158129669.db2.gz SIENTESRLVWLEF-CYBMUJFWSA-N 1 2 306.366 0.255 10 0 DCAELO Cc1nc(CN2CCC[N@H+](CC(=O)NCC3CCC3)CC2)no1 ZINC000108867669 158137373 /nfs/dbraw/zinc/13/73/73/158137373.db2.gz KUZAVNHMLUTAKD-UHFFFAOYSA-N 1 2 321.425 0.802 10 0 DCAELO Cc1nc(CN2CCC[N@@H+](CC(=O)NCC3CCC3)CC2)no1 ZINC000108867669 158137375 /nfs/dbraw/zinc/13/73/75/158137375.db2.gz KUZAVNHMLUTAKD-UHFFFAOYSA-N 1 2 321.425 0.802 10 0 DCAELO O=C(Cc1ccc2c(c1)OCO2)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000114859126 158157755 /nfs/dbraw/zinc/15/77/55/158157755.db2.gz QNIXNQDWDOFJTD-AWEZNQCLSA-N 1 2 318.373 0.937 10 0 DCAELO O=C(Cc1ccc2c(c1)OCO2)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000114859126 158157756 /nfs/dbraw/zinc/15/77/56/158157756.db2.gz QNIXNQDWDOFJTD-AWEZNQCLSA-N 1 2 318.373 0.937 10 0 DCAELO COCC[N@@H+]1CCN(S(=O)(=O)N2CCCCC2)C[C@@H]1C ZINC000117369741 158171957 /nfs/dbraw/zinc/17/19/57/158171957.db2.gz UGDOCWURIGGKRZ-ZDUSSCGKSA-N 1 2 305.444 0.370 10 0 DCAELO COCC[N@H+]1CCN(S(=O)(=O)N2CCCCC2)C[C@@H]1C ZINC000117369741 158171960 /nfs/dbraw/zinc/17/19/60/158171960.db2.gz UGDOCWURIGGKRZ-ZDUSSCGKSA-N 1 2 305.444 0.370 10 0 DCAELO CCOCC[N@@H+]1CCN(C(=O)C(=O)Nc2cccnc2)C[C@H]1C ZINC000117521799 158171981 /nfs/dbraw/zinc/17/19/81/158171981.db2.gz WODDZDMIKUDCRQ-CYBMUJFWSA-N 1 2 320.393 0.589 10 0 DCAELO CCOCC[N@H+]1CCN(C(=O)C(=O)Nc2cccnc2)C[C@H]1C ZINC000117521799 158171983 /nfs/dbraw/zinc/17/19/83/158171983.db2.gz WODDZDMIKUDCRQ-CYBMUJFWSA-N 1 2 320.393 0.589 10 0 DCAELO CC(=O)N(C)c1ccccc1NC(=O)C(=O)N1CC[NH+](C)CC1 ZINC000120787186 158203328 /nfs/dbraw/zinc/20/33/28/158203328.db2.gz QIQPRWGEBFXOHB-UHFFFAOYSA-N 1 2 318.377 0.382 10 0 DCAELO O=C(NCC[NH+]1CCOCC1)N1CC[C@H](Oc2cccnc2)C1 ZINC000123890279 158235647 /nfs/dbraw/zinc/23/56/47/158235647.db2.gz LKYFIORFAPGGMQ-HNNXBMFYSA-N 1 2 320.393 0.577 10 0 DCAELO O=C(Nc1ccsc1)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000125580073 158256257 /nfs/dbraw/zinc/25/62/57/158256257.db2.gz ZRBQZLPFLHEIPX-LBPRGKRZSA-N 1 2 309.391 0.620 10 0 DCAELO COCC(=O)N[C@H](C(=O)NCc1ccc[nH+]c1N(C)C)C(C)C ZINC000131464801 158303167 /nfs/dbraw/zinc/30/31/67/158303167.db2.gz OEOXSGWNCWOTJD-AWEZNQCLSA-N 1 2 322.409 0.551 10 0 DCAELO C[C@@H]1c2ccccc2O[C@@H]1C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000132724413 158312349 /nfs/dbraw/zinc/31/23/49/158312349.db2.gz HYGJQDMLPUIJPZ-WWGRRREGSA-N 1 2 320.389 0.360 10 0 DCAELO C[C@H](O)C[C@@H]1COCCN1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000134703585 158329894 /nfs/dbraw/zinc/32/98/94/158329894.db2.gz UBGVQUQQXDCQDA-GXTWGEPZSA-N 1 2 322.409 0.829 10 0 DCAELO CN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000171619587 158383979 /nfs/dbraw/zinc/38/39/79/158383979.db2.gz UDMVVPLQJYOBDG-JTQLQIEISA-N 1 2 305.304 0.936 10 0 DCAELO CN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000171619587 158383982 /nfs/dbraw/zinc/38/39/82/158383982.db2.gz UDMVVPLQJYOBDG-JTQLQIEISA-N 1 2 305.304 0.936 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@H](c3cc[nH]n3)C2)C1 ZINC000172028843 158389392 /nfs/dbraw/zinc/38/93/92/158389392.db2.gz FVFCNXFSOBKZHE-QWHCGFSZSA-N 1 2 307.398 0.629 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@H](c3cc[nH]n3)C2)C1 ZINC000172028843 158389394 /nfs/dbraw/zinc/38/93/94/158389394.db2.gz FVFCNXFSOBKZHE-QWHCGFSZSA-N 1 2 307.398 0.629 10 0 DCAELO C[NH+]1CCN(C(=O)C(=O)Nc2cccc(-c3ncon3)c2)CC1 ZINC000172526846 158394922 /nfs/dbraw/zinc/39/49/22/158394922.db2.gz JEOXCVAMOGLESA-UHFFFAOYSA-N 1 2 315.333 0.449 10 0 DCAELO COc1c(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c(C)nn1C ZINC000172742997 158398515 /nfs/dbraw/zinc/39/85/15/158398515.db2.gz CNHBBBZMTVSEQX-LBPRGKRZSA-N 1 2 308.382 0.284 10 0 DCAELO C[C@H](NC(=O)c1ccco1)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172745150 158398725 /nfs/dbraw/zinc/39/87/25/158398725.db2.gz VEELEMSSTDUKOH-STQMWFEESA-N 1 2 321.377 0.331 10 0 DCAELO Cn1nnc2cc(C(=O)N3CC[NH2+][C@@H](c4cccnc4)C3)cnc21 ZINC000328653766 159018089 /nfs/dbraw/zinc/01/80/89/159018089.db2.gz LIMCRFKQPSBXTA-CQSZACIVSA-N 1 2 323.360 0.545 10 0 DCAELO Cn1nnc2cc(C(=O)N3CC[C@H]4OCC[N@H+](C)[C@H]4C3)ccc21 ZINC000328923507 159042201 /nfs/dbraw/zinc/04/22/01/159042201.db2.gz UXNZZZMOIGVTSI-LSDHHAIUSA-N 1 2 315.377 0.513 10 0 DCAELO Cn1nnc2cc(C(=O)N3CC[C@H]4OCC[N@@H+](C)[C@H]4C3)ccc21 ZINC000328923507 159042202 /nfs/dbraw/zinc/04/22/02/159042202.db2.gz UXNZZZMOIGVTSI-LSDHHAIUSA-N 1 2 315.377 0.513 10 0 DCAELO C[C@H](C(=O)N1CCC[C@@H](c2nnc[nH]2)C1)[NH+]1CCSCC1 ZINC000328928978 159043036 /nfs/dbraw/zinc/04/30/36/159043036.db2.gz GXKHNXZYVFCWRU-VXGBXAGGSA-N 1 2 309.439 0.948 10 0 DCAELO C[C@H](C(=O)N1CCC[C@@H](c2nc[nH]n2)C1)[NH+]1CCSCC1 ZINC000328928978 159043038 /nfs/dbraw/zinc/04/30/38/159043038.db2.gz GXKHNXZYVFCWRU-VXGBXAGGSA-N 1 2 309.439 0.948 10 0 DCAELO O=C(C[N@@H+]1CCN2C(=O)CC[C@@H]2C1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000329047030 159054506 /nfs/dbraw/zinc/05/45/06/159054506.db2.gz QECFBJZWQKOPDK-ILXRZTDVSA-N 1 2 321.421 0.463 10 0 DCAELO O=C(C[N@H+]1CCN2C(=O)CC[C@@H]2C1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000329047030 159054507 /nfs/dbraw/zinc/05/45/07/159054507.db2.gz QECFBJZWQKOPDK-ILXRZTDVSA-N 1 2 321.421 0.463 10 0 DCAELO O=C([C@@H]1COCC[N@@H+]1CC1CCC1)N1CCC[C@](F)(CO)C1 ZINC000329251382 159076244 /nfs/dbraw/zinc/07/62/44/159076244.db2.gz XZVKVCHIWCBKRE-GOEBONIOSA-N 1 2 314.401 0.810 10 0 DCAELO O=C([C@@H]1COCC[N@H+]1CC1CCC1)N1CCC[C@](F)(CO)C1 ZINC000329251382 159076246 /nfs/dbraw/zinc/07/62/46/159076246.db2.gz XZVKVCHIWCBKRE-GOEBONIOSA-N 1 2 314.401 0.810 10 0 DCAELO CCn1cc([C@H]2CS(=O)(=O)CCN2Cc2[nH+]ccn2C)cn1 ZINC000329470741 159095395 /nfs/dbraw/zinc/09/53/95/159095395.db2.gz YKFWGIZDWUIARJ-CYBMUJFWSA-N 1 2 323.422 0.608 10 0 DCAELO O=C([C@@H]1CCC[N@H+](Cc2nnnn2C2CC2)C1)N1CCCC1 ZINC000329478052 159096289 /nfs/dbraw/zinc/09/62/89/159096289.db2.gz QBFSXYZIRHKHNC-GFCCVEGCSA-N 1 2 304.398 0.842 10 0 DCAELO O=C([C@@H]1CCC[N@@H+](Cc2nnnn2C2CC2)C1)N1CCCC1 ZINC000329478052 159096291 /nfs/dbraw/zinc/09/62/91/159096291.db2.gz QBFSXYZIRHKHNC-GFCCVEGCSA-N 1 2 304.398 0.842 10 0 DCAELO C[C@@H]1C[C@@H](S(=O)(=O)NCC(C)(C)[NH+]2CCOCC2)CCO1 ZINC000329596750 159105859 /nfs/dbraw/zinc/10/58/59/159105859.db2.gz PGRKITHQCZREIS-OLZOCXBDSA-N 1 2 320.455 0.584 10 0 DCAELO C[C@@H](c1nnnn1C1CC1)[N@@H+]1CC[C@@H](N2CCOCC2)[C@H]1C ZINC000329779795 159119446 /nfs/dbraw/zinc/11/94/46/159119446.db2.gz MDSKHXGLCILSPP-MBNYWOFBSA-N 1 2 306.414 0.864 10 0 DCAELO C[C@@H](c1nnnn1C1CC1)[N@H+]1CC[C@@H](N2CCOCC2)[C@H]1C ZINC000329779795 159119449 /nfs/dbraw/zinc/11/94/49/159119449.db2.gz MDSKHXGLCILSPP-MBNYWOFBSA-N 1 2 306.414 0.864 10 0 DCAELO CN1CC[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)[C@H]1c1ccc(F)c(F)c1 ZINC000329785067 159119527 /nfs/dbraw/zinc/11/95/27/159119527.db2.gz PTIRJJKQVYKTPB-TZMCWYRMSA-N 1 2 323.347 0.922 10 0 DCAELO C[C@H](CC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)N1CCCCC1=O ZINC000329935271 159130683 /nfs/dbraw/zinc/13/06/83/159130683.db2.gz QXBDBVLPYMRSIS-CABCVRRESA-N 1 2 323.437 0.711 10 0 DCAELO CN(Cc1cn2c([nH+]1)CCCC2)S(=O)(=O)c1cnnn1C ZINC000330044920 159137837 /nfs/dbraw/zinc/13/78/37/159137837.db2.gz HWDFUKGBRDQOLI-UHFFFAOYSA-N 1 2 310.383 0.169 10 0 DCAELO C[C@@H]1CN(C(=O)c2cnn3ccncc23)C[C@@H]1[NH+]1CCOCC1 ZINC000330092103 159140781 /nfs/dbraw/zinc/14/07/81/159140781.db2.gz QMZRORHYWXINRG-DOMZBBRYSA-N 1 2 315.377 0.522 10 0 DCAELO O=C(c1c[nH]nc1[C@H]1CCOC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000330330517 159160979 /nfs/dbraw/zinc/16/09/79/159160979.db2.gz NJYMHVWSLNXKRO-QWHCGFSZSA-N 1 2 320.393 0.460 10 0 DCAELO CC(C)C(=O)N[C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCN(C)CC2)C1 ZINC000407979106 160001787 /nfs/dbraw/zinc/00/17/87/160001787.db2.gz PEWOFBJAQGIGII-GJZGRUSLSA-N 1 2 324.469 0.386 10 0 DCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3cccc(C(N)=O)n3)C[C@H]21 ZINC000408044158 160021909 /nfs/dbraw/zinc/02/19/09/160021909.db2.gz TVCXVJGUPLZHAI-VXGBXAGGSA-N 1 2 319.365 0.117 10 0 DCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3cccc(C(N)=O)n3)C[C@H]21 ZINC000408044158 160021911 /nfs/dbraw/zinc/02/19/11/160021911.db2.gz TVCXVJGUPLZHAI-VXGBXAGGSA-N 1 2 319.365 0.117 10 0 DCAELO C[C@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+]1C[C@@H](F)C[C@H]1CO ZINC000408047179 160022411 /nfs/dbraw/zinc/02/24/11/160022411.db2.gz OKLJHYLMFMOFGN-ZDEQEGDKSA-N 1 2 315.389 0.796 10 0 DCAELO C[C@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+]1C[C@@H](F)C[C@H]1CO ZINC000408047179 160022413 /nfs/dbraw/zinc/02/24/13/160022413.db2.gz OKLJHYLMFMOFGN-ZDEQEGDKSA-N 1 2 315.389 0.796 10 0 DCAELO C[C@H]1C[C@@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)CC(=O)N1 ZINC000408166971 160051089 /nfs/dbraw/zinc/05/10/89/160051089.db2.gz VLYFLZYBQMSLDW-QWHCGFSZSA-N 1 2 302.378 0.645 10 0 DCAELO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)NC2CCCC2)C[C@@H]1C ZINC000408208345 160060715 /nfs/dbraw/zinc/06/07/15/160060715.db2.gz VZUVMXLWYAQMPB-NWDGAFQWSA-N 1 2 305.444 0.150 10 0 DCAELO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)NC2CCCC2)C[C@@H]1C ZINC000408208345 160060717 /nfs/dbraw/zinc/06/07/17/160060717.db2.gz VZUVMXLWYAQMPB-NWDGAFQWSA-N 1 2 305.444 0.150 10 0 DCAELO Cc1cc[nH+]cc1N1CCN(C(=O)[C@]2(O)CCSC2)CC1 ZINC000408261681 160071586 /nfs/dbraw/zinc/07/15/86/160071586.db2.gz SLUXRTBUWFTMET-HNNXBMFYSA-N 1 2 307.419 0.907 10 0 DCAELO C[C@H]1OCC[C@@]12CN(C(=O)C1([NH+]3CCOCC3)CCC1)CCO2 ZINC000408298771 160078874 /nfs/dbraw/zinc/07/88/74/160078874.db2.gz QKBVPKWFVXUNHD-RHSMWYFYSA-N 1 2 324.421 0.648 10 0 DCAELO CSc1c(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)cnn1C ZINC000408330753 160086042 /nfs/dbraw/zinc/08/60/42/160086042.db2.gz TWDKPGWFSCTABD-DGCLKSJQSA-N 1 2 324.450 0.935 10 0 DCAELO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCCC1=CCCC1 ZINC000152226030 287039790 /nfs/dbraw/zinc/03/97/90/287039790.db2.gz QEAPSCNUZJNSFH-HNNXBMFYSA-N 1 2 311.426 0.821 10 0 DCAELO C[C@@H](CNS(=O)(=O)N1CCC[C@H](C)C1)C[NH+]1CCOCC1 ZINC000246915535 287089130 /nfs/dbraw/zinc/08/91/30/287089130.db2.gz CQXHVLDIQKLNLC-KBPBESRZSA-N 1 2 319.471 0.521 10 0 DCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)N2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000249183150 287107362 /nfs/dbraw/zinc/10/73/62/287107362.db2.gz NNRCGDLTNYCNDW-RDBSUJKOSA-N 1 2 319.471 0.350 10 0 DCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)N2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000249183150 287107363 /nfs/dbraw/zinc/10/73/63/287107363.db2.gz NNRCGDLTNYCNDW-RDBSUJKOSA-N 1 2 319.471 0.350 10 0 DCAELO C[N@H+](CC(=O)NC1CC1)CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000249705130 287117386 /nfs/dbraw/zinc/11/73/86/287117386.db2.gz AFXYOOFUYDNRJA-KGLIPLIRSA-N 1 2 309.410 0.367 10 0 DCAELO C[N@@H+](CC(=O)NC1CC1)CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000249705130 287117387 /nfs/dbraw/zinc/11/73/87/287117387.db2.gz AFXYOOFUYDNRJA-KGLIPLIRSA-N 1 2 309.410 0.367 10 0 DCAELO NC(=O)C1CCN(c2nc(NCCO)c3ccccc3[nH+]2)CC1 ZINC000024052763 415157862 /nfs/dbraw/zinc/15/78/62/415157862.db2.gz ZJHQFJIMDMKAQF-UHFFFAOYSA-N 1 2 315.377 0.736 10 0 DCAELO CN(C)c1[nH+]cccc1CNC(=O)NCCNC(=O)C1CC1 ZINC000047995663 415282713 /nfs/dbraw/zinc/28/27/13/415282713.db2.gz LBYGRZXPPZYKBB-UHFFFAOYSA-N 1 2 305.382 0.473 10 0 DCAELO Cc1cc(C(=O)N(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)cnn1 ZINC000276139325 415435721 /nfs/dbraw/zinc/43/57/21/415435721.db2.gz ANEQOQBZFUUEKH-HNNXBMFYSA-N 1 2 304.394 0.968 10 0 DCAELO Cc1cc(C(=O)N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)cnn1 ZINC000276139325 415435724 /nfs/dbraw/zinc/43/57/24/415435724.db2.gz ANEQOQBZFUUEKH-HNNXBMFYSA-N 1 2 304.394 0.968 10 0 DCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)NCC(=O)N3CCCCC3)C[C@@H]21 ZINC000332751561 415461659 /nfs/dbraw/zinc/46/16/59/415461659.db2.gz CVDXHHJPXWNNJD-KBPBESRZSA-N 1 2 324.425 0.113 10 0 DCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)NCC(=O)N3CCCCC3)C[C@@H]21 ZINC000332751561 415461665 /nfs/dbraw/zinc/46/16/65/415461665.db2.gz CVDXHHJPXWNNJD-KBPBESRZSA-N 1 2 324.425 0.113 10 0 DCAELO NC(=O)[C@@]1(O)CCCN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)C1 ZINC000332783297 415474546 /nfs/dbraw/zinc/47/45/46/415474546.db2.gz ADFGVWRCPSKTOA-IAQYHMDHSA-N 1 2 321.381 0.832 10 0 DCAELO C[C@@H]1CC[C@H](C(=O)N2CC[C@@H]([N@H+](C)Cc3nccc(N)n3)C2)O1 ZINC000333028279 415535001 /nfs/dbraw/zinc/53/50/01/415535001.db2.gz LLFXITZDUAEQPR-JHJVBQTASA-N 1 2 319.409 0.659 10 0 DCAELO C[C@@H]1CC[C@H](C(=O)N2CC[C@@H]([N@@H+](C)Cc3nccc(N)n3)C2)O1 ZINC000333028279 415535007 /nfs/dbraw/zinc/53/50/07/415535007.db2.gz LLFXITZDUAEQPR-JHJVBQTASA-N 1 2 319.409 0.659 10 0 DCAELO COc1ccc(CCNC(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000104776629 415625723 /nfs/dbraw/zinc/62/57/23/415625723.db2.gz JFJBCGUBBUZFCA-OAHLLOKOSA-N 1 2 307.394 0.868 10 0 DCAELO COc1ccc(CCNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000104776629 415625732 /nfs/dbraw/zinc/62/57/32/415625732.db2.gz JFJBCGUBBUZFCA-OAHLLOKOSA-N 1 2 307.394 0.868 10 0 DCAELO C[N@@H+](CC(N)=O)C[C@H]1CN([C@H]2CCc3ccc(F)cc32)CCO1 ZINC000282113965 415579977 /nfs/dbraw/zinc/57/99/77/415579977.db2.gz QCSLYZOUSFYEKG-HOCLYGCPSA-N 1 2 321.396 0.931 10 0 DCAELO C[N@H+](CC(N)=O)C[C@H]1CN([C@H]2CCc3ccc(F)cc32)CCO1 ZINC000282113965 415579981 /nfs/dbraw/zinc/57/99/81/415579981.db2.gz QCSLYZOUSFYEKG-HOCLYGCPSA-N 1 2 321.396 0.931 10 0 DCAELO CN(CC(N)=O)C[C@H]1C[N@@H+]([C@H]2CCc3ccc(F)cc32)CCO1 ZINC000282113965 415579987 /nfs/dbraw/zinc/57/99/87/415579987.db2.gz QCSLYZOUSFYEKG-HOCLYGCPSA-N 1 2 321.396 0.931 10 0 DCAELO CN(CC(N)=O)C[C@H]1C[N@H+]([C@H]2CCc3ccc(F)cc32)CCO1 ZINC000282113965 415579992 /nfs/dbraw/zinc/57/99/92/415579992.db2.gz QCSLYZOUSFYEKG-HOCLYGCPSA-N 1 2 321.396 0.931 10 0 DCAELO O=C(Nc1ccc(-n2cc[nH+]c2)nc1)C(=O)N1CCC[C@H]1CO ZINC000121010045 415789738 /nfs/dbraw/zinc/78/97/38/415789738.db2.gz SBDOTBSIYXIGOG-LBPRGKRZSA-N 1 2 315.333 0.189 10 0 DCAELO O=C(Nc1nccs1)[C@H]1CCC[N@@H+]1CCN1C(=O)CCC1=O ZINC000121506118 415809276 /nfs/dbraw/zinc/80/92/76/415809276.db2.gz QYKQDIGAUFKMFS-SNVBAGLBSA-N 1 2 322.390 0.695 10 0 DCAELO O=C(Nc1nccs1)[C@H]1CCC[N@H+]1CCN1C(=O)CCC1=O ZINC000121506118 415809282 /nfs/dbraw/zinc/80/92/82/415809282.db2.gz QYKQDIGAUFKMFS-SNVBAGLBSA-N 1 2 322.390 0.695 10 0 DCAELO CC[C@@H](OC1CCCC1)C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000128026431 415895198 /nfs/dbraw/zinc/89/51/98/415895198.db2.gz TZWJTROICNDFCF-DZGCQCFKSA-N 1 2 314.426 0.534 10 0 DCAELO C[C@H]1C[N@H+](CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)CCS1 ZINC000171696187 416041027 /nfs/dbraw/zinc/04/10/27/416041027.db2.gz IZZKZUFATHSZRC-QMMMGPOBSA-N 1 2 324.406 0.074 10 0 DCAELO C[C@H]1C[N@@H+](CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)CCS1 ZINC000171696187 416041030 /nfs/dbraw/zinc/04/10/30/416041030.db2.gz IZZKZUFATHSZRC-QMMMGPOBSA-N 1 2 324.406 0.074 10 0 DCAELO CCS(=O)(=O)C[C@H](C)NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174907495 416089738 /nfs/dbraw/zinc/08/97/38/416089738.db2.gz LUKAXOUMXHEXCQ-STQMWFEESA-N 1 2 315.439 0.465 10 0 DCAELO COCC[N@@H+]1CCN(S(=O)(=O)CCOC(C)C)C[C@H]1C ZINC000175119318 416097955 /nfs/dbraw/zinc/09/79/55/416097955.db2.gz ROYQPQIZNULYQC-CYBMUJFWSA-N 1 2 308.444 0.394 10 0 DCAELO COCC[N@H+]1CCN(S(=O)(=O)CCOC(C)C)C[C@H]1C ZINC000175119318 416097958 /nfs/dbraw/zinc/09/79/58/416097958.db2.gz ROYQPQIZNULYQC-CYBMUJFWSA-N 1 2 308.444 0.394 10 0 DCAELO C[C@@H](CNC(=O)N[C@H]1CCCn2ncnc21)[NH+]1CCOCC1 ZINC000176396017 416126472 /nfs/dbraw/zinc/12/64/72/416126472.db2.gz QNNQZFIYMAYABD-RYUDHWBXSA-N 1 2 308.386 0.133 10 0 DCAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)N[C@@H]2CCOC2)CC1 ZINC000178746946 416170427 /nfs/dbraw/zinc/17/04/27/416170427.db2.gz RCRSCLJCCQPESB-CQSZACIVSA-N 1 2 321.425 0.653 10 0 DCAELO CCc1ccccc1NC(=O)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178958580 416179305 /nfs/dbraw/zinc/17/93/05/416179305.db2.gz BDAXTODQOXHJIP-AWEZNQCLSA-N 1 2 316.405 0.304 10 0 DCAELO Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000179584325 416191310 /nfs/dbraw/zinc/19/13/10/416191310.db2.gz KNLUYJDYQCLVIQ-CYBMUJFWSA-N 1 2 307.398 0.015 10 0 DCAELO Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CCC[C@@H]1C(N)=O ZINC000179584325 416191311 /nfs/dbraw/zinc/19/13/11/416191311.db2.gz KNLUYJDYQCLVIQ-CYBMUJFWSA-N 1 2 307.398 0.015 10 0 DCAELO CCS(=O)(=O)C[C@@H](C)NC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000358186435 416206991 /nfs/dbraw/zinc/20/69/91/416206991.db2.gz JCFVIMSNNTYYAH-CYBMUJFWSA-N 1 2 317.455 0.761 10 0 DCAELO CCS(=O)(=O)C[C@@H](C)NC(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000358186435 416206993 /nfs/dbraw/zinc/20/69/93/416206993.db2.gz JCFVIMSNNTYYAH-CYBMUJFWSA-N 1 2 317.455 0.761 10 0 DCAELO CC1=CC[N@H+](CCNC(=O)NCCCS(C)(=O)=O)CC1 ZINC000358202438 416210093 /nfs/dbraw/zinc/21/00/93/416210093.db2.gz WAQPGRMVZKKYHX-UHFFFAOYSA-N 1 2 303.428 0.372 10 0 DCAELO CC1=CC[N@@H+](CCNC(=O)NCCCS(C)(=O)=O)CC1 ZINC000358202438 416210095 /nfs/dbraw/zinc/21/00/95/416210095.db2.gz WAQPGRMVZKKYHX-UHFFFAOYSA-N 1 2 303.428 0.372 10 0 DCAELO CNS(=O)(=O)c1cccc(C(=O)Nc2cc[nH+]cc2O)c1 ZINC000358340897 416225563 /nfs/dbraw/zinc/22/55/63/416225563.db2.gz QMXOCRZBFCDYGL-UHFFFAOYSA-N 1 2 307.331 0.370 10 0 DCAELO COC(=O)Cn1cc(CC[N@@H+]2CCCC[C@@H]2c2nnc[nH]2)nn1 ZINC000182708111 416230488 /nfs/dbraw/zinc/23/04/88/416230488.db2.gz URGULIXDNJWGIS-GFCCVEGCSA-N 1 2 319.369 0.339 10 0 DCAELO COC(=O)Cn1cc(CC[N@H+]2CCCC[C@@H]2c2nnc[nH]2)nn1 ZINC000182708111 416230490 /nfs/dbraw/zinc/23/04/90/416230490.db2.gz URGULIXDNJWGIS-GFCCVEGCSA-N 1 2 319.369 0.339 10 0 DCAELO Cc1cccc(C)c1-n1nnnc1C[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000185190814 416254525 /nfs/dbraw/zinc/25/45/25/416254525.db2.gz UUNUVAZEWBSMKL-CHWSQXEVSA-N 1 2 303.366 0.207 10 0 DCAELO Cc1cccc(C)c1-n1nnnc1C[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000185190814 416254530 /nfs/dbraw/zinc/25/45/30/416254530.db2.gz UUNUVAZEWBSMKL-CHWSQXEVSA-N 1 2 303.366 0.207 10 0 DCAELO CC(C)n1nnnc1C[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000195083039 416325208 /nfs/dbraw/zinc/32/52/08/416325208.db2.gz WBOJFLHKANQDGA-CYBMUJFWSA-N 1 2 306.414 0.992 10 0 DCAELO CC(C)n1nnnc1C[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000195083039 416325209 /nfs/dbraw/zinc/32/52/09/416325209.db2.gz WBOJFLHKANQDGA-CYBMUJFWSA-N 1 2 306.414 0.992 10 0 DCAELO CC[C@@H]1CN(S(=O)(=O)C[C@@H](C)OC)CC[N@@H+]1CCOC ZINC000195264992 416325658 /nfs/dbraw/zinc/32/56/58/416325658.db2.gz NJCFNGORDKHLJN-CHWSQXEVSA-N 1 2 308.444 0.394 10 0 DCAELO CC[C@@H]1CN(S(=O)(=O)C[C@@H](C)OC)CC[N@H+]1CCOC ZINC000195264992 416325659 /nfs/dbraw/zinc/32/56/59/416325659.db2.gz NJCFNGORDKHLJN-CHWSQXEVSA-N 1 2 308.444 0.394 10 0 DCAELO O=C(C[N@H+]1CC[C@@](O)(c2cn[nH]n2)C1)NCc1ccccc1F ZINC000583618209 416477268 /nfs/dbraw/zinc/47/72/68/416477268.db2.gz LCMLQZRKHLTNGC-HNNXBMFYSA-N 1 2 319.340 0.154 10 0 DCAELO O=C(C[N@@H+]1CC[C@@](O)(c2cn[nH]n2)C1)NCc1ccccc1F ZINC000583618209 416477271 /nfs/dbraw/zinc/47/72/71/416477271.db2.gz LCMLQZRKHLTNGC-HNNXBMFYSA-N 1 2 319.340 0.154 10 0 DCAELO CCN1CCN(C(=O)Cc2cnn(C)c2)C[C@@H]1c1[nH+]ccn1C ZINC000583623181 416480745 /nfs/dbraw/zinc/48/07/45/416480745.db2.gz WIWJOGJJDASYHM-CQSZACIVSA-N 1 2 316.409 0.602 10 0 DCAELO Cc1conc1NC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000435851285 416539186 /nfs/dbraw/zinc/53/91/86/416539186.db2.gz MOSCRVAZIBDIHQ-UHFFFAOYSA-N 1 2 303.322 1.051 10 0 DCAELO C[C@@H]1CCc2nc(NC(=O)C(=O)N3CC[NH+](C)CC3)sc2C1 ZINC000434767880 416495843 /nfs/dbraw/zinc/49/58/43/416495843.db2.gz UFRLTRQZURYBKF-SNVBAGLBSA-N 1 2 322.434 0.980 10 0 DCAELO CNS(=O)(=O)c1cccc(C(=O)NCCc2c[nH+]cn2C)c1 ZINC000541590394 416607956 /nfs/dbraw/zinc/60/79/56/416607956.db2.gz FKZDQGUELTYUDL-UHFFFAOYSA-N 1 2 322.390 0.301 10 0 DCAELO O=C(C[N@@H+]1CCN2CCOC[C@H]2C1)NCc1cccc(Cl)c1 ZINC000368821934 416696075 /nfs/dbraw/zinc/69/60/75/416696075.db2.gz JGGWOHMUQMRCPR-OAHLLOKOSA-N 1 2 323.824 0.973 10 0 DCAELO O=C(C[N@H+]1CCN2CCOC[C@H]2C1)NCc1cccc(Cl)c1 ZINC000368821934 416696080 /nfs/dbraw/zinc/69/60/80/416696080.db2.gz JGGWOHMUQMRCPR-OAHLLOKOSA-N 1 2 323.824 0.973 10 0 DCAELO C[C@@H](C[S@@](C)=O)N(C)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000559764446 416822991 /nfs/dbraw/zinc/82/29/91/416822991.db2.gz FSVHCUOUIQGMSW-MLMJSJRWSA-N 1 2 322.390 0.498 10 0 DCAELO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N2CCC[C@H]2C2CCC2)C1 ZINC000631897291 416783529 /nfs/dbraw/zinc/78/35/29/416783529.db2.gz SNPQXMYZTZGHLW-KGLIPLIRSA-N 1 2 302.440 0.911 10 0 DCAELO C[N@H+]1CCO[C@@H](CS(=O)(=O)N2CCC[C@H]2C2CCC2)C1 ZINC000631897291 416783534 /nfs/dbraw/zinc/78/35/34/416783534.db2.gz SNPQXMYZTZGHLW-KGLIPLIRSA-N 1 2 302.440 0.911 10 0 DCAELO C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)c2ccc[nH]c2=O)C1 ZINC000369586437 416800327 /nfs/dbraw/zinc/80/03/27/416800327.db2.gz OBDGFQUQDAAUBH-LBPRGKRZSA-N 1 2 313.361 0.924 10 0 DCAELO C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)c2ccc[nH]c2=O)C1 ZINC000369586437 416800333 /nfs/dbraw/zinc/80/03/33/416800333.db2.gz OBDGFQUQDAAUBH-LBPRGKRZSA-N 1 2 313.361 0.924 10 0 DCAELO Cc1cc(C(=O)N2CC[NH+]([C@@H]3CCCCNC3=O)CC2)n(C)n1 ZINC000370068367 416879600 /nfs/dbraw/zinc/87/96/00/416879600.db2.gz XKXBWLZTJMNTMW-CYBMUJFWSA-N 1 2 319.409 0.155 10 0 DCAELO CC(C)N1CCC[C@H]([N@H+](C)C[C@H]2CCS(=O)(=O)C2)C1=O ZINC000407950613 417126835 /nfs/dbraw/zinc/12/68/35/417126835.db2.gz BSQCXDMTVHLETC-OLZOCXBDSA-N 1 2 302.440 0.752 10 0 DCAELO CC(C)N1CCC[C@H]([N@@H+](C)C[C@H]2CCS(=O)(=O)C2)C1=O ZINC000407950613 417126847 /nfs/dbraw/zinc/12/68/47/417126847.db2.gz BSQCXDMTVHLETC-OLZOCXBDSA-N 1 2 302.440 0.752 10 0 DCAELO C[S@@](=O)c1ccc(C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)cc1 ZINC000435035590 287358403 /nfs/dbraw/zinc/35/84/03/287358403.db2.gz QSYMELBBFRKRST-IVZQSRNASA-N 1 2 321.402 0.598 10 0 DCAELO C[S@@](=O)c1ccc(C[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)cc1 ZINC000435035590 287358404 /nfs/dbraw/zinc/35/84/04/287358404.db2.gz QSYMELBBFRKRST-IVZQSRNASA-N 1 2 321.402 0.598 10 0 DCAELO CS(=O)(=O)CCC[N@@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000408047111 417138563 /nfs/dbraw/zinc/13/85/63/417138563.db2.gz ZDBGXHAFNAJFCQ-MJBXVCDLSA-N 1 2 305.440 0.673 10 0 DCAELO CS(=O)(=O)CCC[N@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000408047111 417138565 /nfs/dbraw/zinc/13/85/65/417138565.db2.gz ZDBGXHAFNAJFCQ-MJBXVCDLSA-N 1 2 305.440 0.673 10 0 DCAELO O=C(NCCCCn1cc[nH+]c1)N1CCN2CCOC[C@H]2C1 ZINC000568449755 417138596 /nfs/dbraw/zinc/13/85/96/417138596.db2.gz RRWCZLBSDVSIQC-CQSZACIVSA-N 1 2 307.398 0.389 10 0 DCAELO CC(C)S(=O)(=O)CC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000408183949 417146541 /nfs/dbraw/zinc/14/65/41/417146541.db2.gz VMMIJDBFKPATCQ-STQMWFEESA-N 1 2 302.440 0.895 10 0 DCAELO CC(C)S(=O)(=O)CC(=O)N1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000408183949 417146548 /nfs/dbraw/zinc/14/65/48/417146548.db2.gz VMMIJDBFKPATCQ-STQMWFEESA-N 1 2 302.440 0.895 10 0 DCAELO CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000643858918 417402877 /nfs/dbraw/zinc/40/28/77/417402877.db2.gz QRIBGTWNEDFEFE-MNOVXSKESA-N 1 2 321.381 0.502 10 0 DCAELO CCNC(=O)N1CC[C@H](NC(=O)NCCCCn2cc[nH+]c2)C1 ZINC000531860959 417644459 /nfs/dbraw/zinc/64/44/59/417644459.db2.gz TZGOYFZDGNXWOW-ZDUSSCGKSA-N 1 2 322.413 0.766 10 0 DCAELO CN(C)S(=O)(=O)c1ccccc1CNC(=O)Cn1cc[nH+]c1 ZINC000027969874 261103693 /nfs/dbraw/zinc/10/36/93/261103693.db2.gz CHZGDKCFUDARPB-UHFFFAOYSA-N 1 2 322.390 0.450 10 0 DCAELO CCC1(CC)CN(C(=O)[C@H]2C[N@H+](C)CCO2)CC[S@@]1=O ZINC000183850652 261117152 /nfs/dbraw/zinc/11/71/52/261117152.db2.gz ABYIHVILFWIBNC-ODXCJYRJSA-N 1 2 302.440 0.467 10 0 DCAELO CCC1(CC)CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC[S@@]1=O ZINC000183850652 261117153 /nfs/dbraw/zinc/11/71/53/261117153.db2.gz ABYIHVILFWIBNC-ODXCJYRJSA-N 1 2 302.440 0.467 10 0 DCAELO Cc1ccccc1C[C@@H](CO)NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000188045220 261126035 /nfs/dbraw/zinc/12/60/35/261126035.db2.gz HMPUMYXIMNQXIO-HOTGVXAUSA-N 1 2 321.421 0.528 10 0 DCAELO Cc1ccccc1C[C@@H](CO)NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000188045220 261126037 /nfs/dbraw/zinc/12/60/37/261126037.db2.gz HMPUMYXIMNQXIO-HOTGVXAUSA-N 1 2 321.421 0.528 10 0 DCAELO C[C@@H]1CCOCCN1C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000362241505 262014693 /nfs/dbraw/zinc/01/46/93/262014693.db2.gz XSGZLHVJBOAUKV-OAHLLOKOSA-N 1 2 318.421 0.841 10 0 DCAELO CN(Cc1ccc(F)cc1)C(=O)C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000363796474 262131133 /nfs/dbraw/zinc/13/11/33/262131133.db2.gz RJLAUIYIJZQROJ-INIZCTEOSA-N 1 2 321.396 0.801 10 0 DCAELO CN(Cc1ccc(F)cc1)C(=O)C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000363796474 262131134 /nfs/dbraw/zinc/13/11/34/262131134.db2.gz RJLAUIYIJZQROJ-INIZCTEOSA-N 1 2 321.396 0.801 10 0 DCAELO NC(=O)c1cccnc1N1CCC[N@@H+]([C@@H]2CCOC2=O)CC1 ZINC000370796269 262151223 /nfs/dbraw/zinc/15/12/23/262151223.db2.gz QHCRXOGVIDQASI-GFCCVEGCSA-N 1 2 304.350 0.008 10 0 DCAELO NC(=O)c1cccnc1N1CCC[N@H+]([C@@H]2CCOC2=O)CC1 ZINC000370796269 262151225 /nfs/dbraw/zinc/15/12/25/262151225.db2.gz QHCRXOGVIDQASI-GFCCVEGCSA-N 1 2 304.350 0.008 10 0 DCAELO c1nc(N2CCOCC2)cc(NCCc2nnc3n2CCC3)[nH+]1 ZINC000433607842 262660347 /nfs/dbraw/zinc/66/03/47/262660347.db2.gz LMEHGVXQNCBQQD-UHFFFAOYSA-N 1 2 315.381 0.506 10 0 DCAELO c1nc(NCCc2nnc3n2CCC3)cc(N2CCOCC2)[nH+]1 ZINC000433607842 262660350 /nfs/dbraw/zinc/66/03/50/262660350.db2.gz LMEHGVXQNCBQQD-UHFFFAOYSA-N 1 2 315.381 0.506 10 0 DCAELO CCCS(=O)(=O)NC1CC[NH+]([C@@H](C(=O)OC)C2CC2)CC1 ZINC000359603528 271131360 /nfs/dbraw/zinc/13/13/60/271131360.db2.gz VRSQEBBYVDRAAQ-CYBMUJFWSA-N 1 2 318.439 0.732 10 0 DCAELO C[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCO2)c1nncn1C ZINC000494789721 272231629 /nfs/dbraw/zinc/23/16/29/272231629.db2.gz DRIQRBDLKDZIQB-VIFPVBQESA-N 1 2 303.322 0.833 10 0 DCAELO CC[C@H]1COCCN1C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000552741575 288279699 /nfs/dbraw/zinc/27/96/99/288279699.db2.gz DDHAKDCMMBKJRS-LBPRGKRZSA-N 1 2 302.334 0.910 10 0 DCAELO CO[C@H]1CCCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000552744463 288279870 /nfs/dbraw/zinc/27/98/70/288279870.db2.gz YZBJRPGQERRTKS-LBPRGKRZSA-N 1 2 302.334 0.910 10 0 DCAELO CCc1cnc(C[NH+]2CCC(CNS(C)(=O)=O)CC2)o1 ZINC000556816915 288396978 /nfs/dbraw/zinc/39/69/78/288396978.db2.gz LANXNSUFMKSYCA-UHFFFAOYSA-N 1 2 301.412 0.998 10 0 DCAELO CN1CC[C@@H](C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CC1=O ZINC000110954326 290123006 /nfs/dbraw/zinc/12/30/06/290123006.db2.gz GLXOBMULANSMHE-CABCVRRESA-N 1 2 323.437 0.568 10 0 DCAELO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)CC1(CS(C)(=O)=O)CC1 ZINC000155557293 300222251 /nfs/dbraw/zinc/22/22/51/300222251.db2.gz KXRMDTTWYLTYOQ-RYUDHWBXSA-N 1 2 302.440 0.752 10 0 DCAELO C[C@H]1CN(CC(=O)Nc2nncs2)C[C@@H]1[NH+]1CCOCC1 ZINC000177227279 300241607 /nfs/dbraw/zinc/24/16/07/300241607.db2.gz ZAWKMDDCTZHXEI-QWRGUYRKSA-N 1 2 311.411 0.129 10 0 DCAELO COc1ccc(F)cc1CC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000299745666 533926431 /nfs/dbraw/zinc/92/64/31/533926431.db2.gz RSNYYKWQUGCFSK-DZGCQCFKSA-N 1 2 308.353 0.918 10 0 DCAELO COc1ccc(F)cc1CC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000299745666 533926438 /nfs/dbraw/zinc/92/64/38/533926438.db2.gz RSNYYKWQUGCFSK-DZGCQCFKSA-N 1 2 308.353 0.918 10 0 DCAELO CS[C@H](C)CC(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000328634103 534028189 /nfs/dbraw/zinc/02/81/89/534028189.db2.gz MMUZOHSBGXOAMP-MNOVXSKESA-N 1 2 303.428 0.822 10 0 DCAELO CS[C@H](C)CC(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000328634103 534028192 /nfs/dbraw/zinc/02/81/92/534028192.db2.gz MMUZOHSBGXOAMP-MNOVXSKESA-N 1 2 303.428 0.822 10 0 DCAELO CC(=O)N1CC(C(=O)N2CC[NH+](Cc3cnc(C)s3)CC2)C1 ZINC000188432458 519487665 /nfs/dbraw/zinc/48/76/65/519487665.db2.gz COGRSBUHQCUVQK-UHFFFAOYSA-N 1 2 322.434 0.574 10 0 DCAELO CC(C)CC[C@@](C)(O)CNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000154744935 519687606 /nfs/dbraw/zinc/68/76/06/519687606.db2.gz QAZCEOUXWHCOHK-UKRRQHHQSA-N 1 2 301.431 0.803 10 0 DCAELO CC(C)CC[C@@](C)(O)CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000154744935 519687609 /nfs/dbraw/zinc/68/76/09/519687609.db2.gz QAZCEOUXWHCOHK-UKRRQHHQSA-N 1 2 301.431 0.803 10 0 DCAELO CCS(=O)(=O)NCC[N@@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000157962053 521677135 /nfs/dbraw/zinc/67/71/35/521677135.db2.gz MYOHLLWHGFNYPE-FRRDWIJNSA-N 1 2 306.428 0.194 10 0 DCAELO CCS(=O)(=O)NCC[N@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000157962053 521677137 /nfs/dbraw/zinc/67/71/37/521677137.db2.gz MYOHLLWHGFNYPE-FRRDWIJNSA-N 1 2 306.428 0.194 10 0 DCAELO COCCc1noc(C[N@@H+]2CCCN(c3cccnn3)CC2)n1 ZINC000105800555 522042590 /nfs/dbraw/zinc/04/25/90/522042590.db2.gz JGAZTFHRXNFBJF-UHFFFAOYSA-N 1 2 318.381 0.761 10 0 DCAELO COCCc1noc(C[N@H+]2CCCN(c3cccnn3)CC2)n1 ZINC000105800555 522042598 /nfs/dbraw/zinc/04/25/98/522042598.db2.gz JGAZTFHRXNFBJF-UHFFFAOYSA-N 1 2 318.381 0.761 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)Cn2cnc(-c3ccccc3)n2)C1 ZINC000129416960 523936179 /nfs/dbraw/zinc/93/61/79/523936179.db2.gz RKNMSGORKCINBK-AWEZNQCLSA-N 1 2 315.377 0.392 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)Cn2cnc(-c3ccccc3)n2)C1 ZINC000129416960 523936185 /nfs/dbraw/zinc/93/61/85/523936185.db2.gz RKNMSGORKCINBK-AWEZNQCLSA-N 1 2 315.377 0.392 10 0 DCAELO C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)C1 ZINC000246844938 523948839 /nfs/dbraw/zinc/94/88/39/523948839.db2.gz BCNBCQFPWLSHGN-SQWLQELKSA-N 1 2 311.426 0.654 10 0 DCAELO C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)C1 ZINC000246844938 523948843 /nfs/dbraw/zinc/94/88/43/523948843.db2.gz BCNBCQFPWLSHGN-SQWLQELKSA-N 1 2 311.426 0.654 10 0 DCAELO Cc1ccccc1OC[C@@H](O)C[NH+]1CC(NC(=O)C2CC2)C1 ZINC000187981388 525306762 /nfs/dbraw/zinc/30/67/62/525306762.db2.gz VAALAJGCQMMSNT-HNNXBMFYSA-N 1 2 304.390 0.945 10 0 DCAELO C[C@@H]1OCC[C@@H]1S(=O)(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000188231828 525577689 /nfs/dbraw/zinc/57/76/89/525577689.db2.gz SYTRLMNEIKDMNB-GVXVVHGQSA-N 1 2 302.396 0.979 10 0 DCAELO C[C@H](C(=O)NCC1CCCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000246304496 526040489 /nfs/dbraw/zinc/04/04/89/526040489.db2.gz CFGAZLAWSKUKJY-YRGRVCCFSA-N 1 2 311.426 0.646 10 0 DCAELO C[C@H](C(=O)NCC1CCCCC1)[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000246304496 526040497 /nfs/dbraw/zinc/04/04/97/526040497.db2.gz CFGAZLAWSKUKJY-YRGRVCCFSA-N 1 2 311.426 0.646 10 0 DCAELO CC[NH2+][C@H](Cn1cc(I)cn1)C(=O)OC ZINC000070678577 545661625 /nfs/dbraw/zinc/66/16/25/545661625.db2.gz LKETUPSIYFEOPD-MRVPVSSYSA-N 1 2 323.134 0.639 10 0 DCAELO CC[N@@H+]1CCO[C@H](CNS(=O)(=O)c2ccc(N)cc2F)C1 ZINC000165783811 545876107 /nfs/dbraw/zinc/87/61/07/545876107.db2.gz RHUCXFRSAWOOBM-LLVKDONJSA-N 1 2 317.386 0.407 10 0 DCAELO CC[N@H+]1CCO[C@H](CNS(=O)(=O)c2ccc(N)cc2F)C1 ZINC000165783811 545876113 /nfs/dbraw/zinc/87/61/13/545876113.db2.gz RHUCXFRSAWOOBM-LLVKDONJSA-N 1 2 317.386 0.407 10 0 DCAELO CC[N@@H+]1CCO[C@@H](CNc2nc(C)c(S(N)(=O)=O)s2)C1 ZINC000312481596 546022681 /nfs/dbraw/zinc/02/26/81/546022681.db2.gz HKWKPVHXKDUZFH-VIFPVBQESA-N 1 2 320.440 0.232 10 0 DCAELO CC[N@H+]1CCO[C@@H](CNc2nc(C)c(S(N)(=O)=O)s2)C1 ZINC000312481596 546022688 /nfs/dbraw/zinc/02/26/88/546022688.db2.gz HKWKPVHXKDUZFH-VIFPVBQESA-N 1 2 320.440 0.232 10 0 DCAELO C[C@H](CNC(=O)c1cccnc1-n1cccn1)[NH+]1CCOCC1 ZINC000121709205 658140056 /nfs/dbraw/zinc/14/00/56/658140056.db2.gz JBKQNNWXQBKBBT-CYBMUJFWSA-N 1 2 315.377 0.718 10 0 DCAELO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000178686067 661463760 /nfs/dbraw/zinc/46/37/60/661463760.db2.gz OJCPKFGUFPHMJU-WEKMIXOTSA-N 1 2 310.419 0.986 10 0 DCAELO [NH3+]Cc1nc(CN2CCS(=O)(=O)C3(CCCCC3)C2)no1 ZINC000262186691 662152438 /nfs/dbraw/zinc/15/24/38/662152438.db2.gz JGHJEZAXXXFVCQ-UHFFFAOYSA-N 1 2 314.411 0.462 10 0 DCAELO CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000729448860 662888856 /nfs/dbraw/zinc/88/88/56/662888856.db2.gz DPDLOZACRMVVOY-DMDPSCGWSA-N 1 2 315.439 0.133 10 0 DCAELO C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CSC(c3ccccc3)=N2)C1 ZINC000900439842 663244637 /nfs/dbraw/zinc/24/46/37/663244637.db2.gz SKWQPCNXFAVEPD-KBPBESRZSA-N 1 2 319.430 0.995 10 0 DCAELO C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CSC(c3ccccc3)=N2)C1 ZINC000900439842 663244638 /nfs/dbraw/zinc/24/46/38/663244638.db2.gz SKWQPCNXFAVEPD-KBPBESRZSA-N 1 2 319.430 0.995 10 0 DCAELO COC(=O)c1cn(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)nn1 ZINC000154911033 665199188 /nfs/dbraw/zinc/19/91/88/665199188.db2.gz VRFFHIHOVSLXIU-LLVKDONJSA-N 1 2 305.342 0.026 10 0 DCAELO COC(=O)c1cn(C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)nn1 ZINC000154911033 665199189 /nfs/dbraw/zinc/19/91/89/665199189.db2.gz VRFFHIHOVSLXIU-LLVKDONJSA-N 1 2 305.342 0.026 10 0 DCAELO CC[S@](=O)CCNC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000741090286 667758543 /nfs/dbraw/zinc/75/85/43/667758543.db2.gz PGTVNHGKLTXJGN-YUNKPMOVSA-N 1 2 305.444 0.023 10 0 DCAELO CCc1nn(C)c(Cl)c1C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000188707754 670039596 /nfs/dbraw/zinc/03/95/96/670039596.db2.gz XGXQARPRCVEQSL-JTQLQIEISA-N 1 2 314.817 0.775 10 0 DCAELO CCc1nn(C)c(Cl)c1C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000188707754 670039604 /nfs/dbraw/zinc/03/96/04/670039604.db2.gz XGXQARPRCVEQSL-JTQLQIEISA-N 1 2 314.817 0.775 10 0 DCAELO CC(C)N1C(=O)C(=O)N(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)C1=O ZINC000116259195 671030449 /nfs/dbraw/zinc/03/04/49/671030449.db2.gz ZPAANOCBPBJVPD-LLVKDONJSA-N 1 2 319.365 0.366 10 0 DCAELO CC(C)N1C(=O)C(=O)N(C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)C1=O ZINC000116259195 671030454 /nfs/dbraw/zinc/03/04/54/671030454.db2.gz ZPAANOCBPBJVPD-LLVKDONJSA-N 1 2 319.365 0.366 10 0 DCAELO O=C([C@@H]1CNC(=O)C1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000105817578 672235594 /nfs/dbraw/zinc/23/55/94/672235594.db2.gz FXLPPQMCNWKQMS-LSDHHAIUSA-N 1 2 317.389 0.000 10 0 DCAELO CCCS(=O)(=O)CCN1CC[N@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000105827717 672236110 /nfs/dbraw/zinc/23/61/10/672236110.db2.gz PYQKJXUATBQLIT-ZIAGYGMSSA-N 1 2 306.472 0.588 10 0 DCAELO CCCS(=O)(=O)CCN1CC[N@@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000105827717 672236112 /nfs/dbraw/zinc/23/61/12/672236112.db2.gz PYQKJXUATBQLIT-ZIAGYGMSSA-N 1 2 306.472 0.588 10 0 DCAELO C[C@H](O)CN1CC[N@H+](CCCNC(=O)C(F)(F)F)C[C@@H]1C ZINC000245643495 685158055 /nfs/dbraw/zinc/15/80/55/685158055.db2.gz ATMFMPHCVPRDEA-QWRGUYRKSA-N 1 2 311.348 0.442 10 0 DCAELO C[C@H](O)CN1CC[N@@H+](CCCNC(=O)C(F)(F)F)C[C@@H]1C ZINC000245643495 685158059 /nfs/dbraw/zinc/15/80/59/685158059.db2.gz ATMFMPHCVPRDEA-QWRGUYRKSA-N 1 2 311.348 0.442 10 0 DCAELO CC(=O)N[C@H]1CCC[N@H+](CN2C[C@@H](c3ccccn3)CC2=O)C1 ZINC000247081214 685169532 /nfs/dbraw/zinc/16/95/32/685169532.db2.gz HUYNSEVYAIVQEH-GJZGRUSLSA-N 1 2 316.405 0.956 10 0 DCAELO CC(=O)N[C@H]1CCC[N@@H+](CN2C[C@@H](c3ccccn3)CC2=O)C1 ZINC000247081214 685169539 /nfs/dbraw/zinc/16/95/39/685169539.db2.gz HUYNSEVYAIVQEH-GJZGRUSLSA-N 1 2 316.405 0.956 10 0 DCAELO