smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001317534359 916319400 /nfs/dbraw/zinc/31/94/00/916319400.db2.gz BFTQJUVPBUXGNB-LBPRGKRZSA-N 2 2 304.354 -1.039 20 30 DAEDLP N#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001317534359 916319419 /nfs/dbraw/zinc/31/94/19/916319419.db2.gz BFTQJUVPBUXGNB-LBPRGKRZSA-N 2 2 304.354 -1.039 20 30 DAEDLP Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N ZINC001331760079 917330456 /nfs/dbraw/zinc/33/04/56/917330456.db2.gz SHUIFCFSWKEFSD-NSHDSACASA-N 2 2 308.342 -2.102 20 30 DAEDLP C#CCNC(=O)CC[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001356610603 918232693 /nfs/dbraw/zinc/23/26/93/918232693.db2.gz SXUFESDIQDASBZ-CQSZACIVSA-N 2 2 322.409 -1.351 20 30 DAEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(NC(N)=O)CC2)CC1 ZINC000079467031 372870090 /nfs/dbraw/zinc/87/00/90/372870090.db2.gz PFUATWKGQPBNTN-UHFFFAOYSA-N 2 2 307.398 -1.104 20 30 DAEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@H+](CCO)[C@H](C)C2)CC1 ZINC000491037931 372925538 /nfs/dbraw/zinc/92/55/38/372925538.db2.gz HCRBQXGLVKCXDD-OAHLLOKOSA-N 2 2 308.426 -1.238 20 30 DAEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@@H+](CCO)[C@H](C)C2)CC1 ZINC000491037931 372925543 /nfs/dbraw/zinc/92/55/43/372925543.db2.gz HCRBQXGLVKCXDD-OAHLLOKOSA-N 2 2 308.426 -1.238 20 30 DAEDLP NC(=O)N[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@H](NC(N)=O)C2)C1 ZINC000341911933 373242780 /nfs/dbraw/zinc/24/27/80/373242780.db2.gz RFLITWKSBHXIPI-TXEJJXNPSA-N 2 2 308.386 -1.525 20 30 DAEDLP NC(=O)N[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](NC(N)=O)C2)C1 ZINC000341911933 373242784 /nfs/dbraw/zinc/24/27/84/373242784.db2.gz RFLITWKSBHXIPI-TXEJJXNPSA-N 2 2 308.386 -1.525 20 30 DAEDLP NC(=O)N[C@@H]1CC[N@@H+](CC#CC[NH+]2CC[C@H](NC(N)=O)C2)C1 ZINC000341911933 373242793 /nfs/dbraw/zinc/24/27/93/373242793.db2.gz RFLITWKSBHXIPI-TXEJJXNPSA-N 2 2 308.386 -1.525 20 30 DAEDLP NC(=O)N[C@@H]1CC[N@H+](CC#CC[NH+]2CC[C@H](NC(N)=O)C2)C1 ZINC000341911933 373242798 /nfs/dbraw/zinc/24/27/98/373242798.db2.gz RFLITWKSBHXIPI-TXEJJXNPSA-N 2 2 308.386 -1.525 20 30 DAEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362828997 373291482 /nfs/dbraw/zinc/29/14/82/373291482.db2.gz VNFNBLGWEFNIBY-GFCCVEGCSA-N 2 2 323.397 -1.106 20 30 DAEDLP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362828997 373291488 /nfs/dbraw/zinc/29/14/88/373291488.db2.gz VNFNBLGWEFNIBY-GFCCVEGCSA-N 2 2 323.397 -1.106 20 30 DAEDLP NC(=[NH2+])NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000261866200 373331965 /nfs/dbraw/zinc/33/19/65/373331965.db2.gz NWVXTEOAQQWPCQ-UHFFFAOYSA-N 2 2 312.399 -1.193 20 30 DAEDLP OC[C@H]1CC[N@@H+](CC#CC[NH+]2CC[C@@H](CO)[C@H](O)C2)C[C@H]1O ZINC000568558318 373545485 /nfs/dbraw/zinc/54/54/85/373545485.db2.gz VESGYULXGKKDJY-QKPAOTATSA-N 2 2 312.410 -1.660 20 30 DAEDLP OC[C@H]1CC[NH+](CC#CC[N@@H+]2CC[C@@H](CO)[C@H](O)C2)C[C@H]1O ZINC000568558318 373545491 /nfs/dbraw/zinc/54/54/91/373545491.db2.gz VESGYULXGKKDJY-QKPAOTATSA-N 2 2 312.410 -1.660 20 30 DAEDLP OC[C@H]1CC[NH+](CC#CC[N@H+]2CC[C@@H](CO)[C@H](O)C2)C[C@H]1O ZINC000568558318 373545499 /nfs/dbraw/zinc/54/54/99/373545499.db2.gz VESGYULXGKKDJY-QKPAOTATSA-N 2 2 312.410 -1.660 20 30 DAEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197048592 782122651 /nfs/dbraw/zinc/12/26/51/782122651.db2.gz DVISVCVRPZDVAA-BFHYXJOUSA-N 2 2 324.425 -1.373 20 30 DAEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197048592 782122660 /nfs/dbraw/zinc/12/26/60/782122660.db2.gz DVISVCVRPZDVAA-BFHYXJOUSA-N 2 2 324.425 -1.373 20 30 DAEDLP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001152335048 782132913 /nfs/dbraw/zinc/13/29/13/782132913.db2.gz XSUDOSKRYKVAEA-UHFFFAOYSA-N 2 2 320.397 -1.341 20 30 DAEDLP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001198047339 782147772 /nfs/dbraw/zinc/14/77/72/782147772.db2.gz KKSRMBAQNYJSHD-MGPQQGTHSA-N 2 2 324.425 -1.373 20 30 DAEDLP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001198047339 782147778 /nfs/dbraw/zinc/14/77/78/782147778.db2.gz KKSRMBAQNYJSHD-MGPQQGTHSA-N 2 2 324.425 -1.373 20 30 DAEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001198047339 782147783 /nfs/dbraw/zinc/14/77/83/782147783.db2.gz KKSRMBAQNYJSHD-MGPQQGTHSA-N 2 2 324.425 -1.373 20 30 DAEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001198047339 782147788 /nfs/dbraw/zinc/14/77/88/782147788.db2.gz KKSRMBAQNYJSHD-MGPQQGTHSA-N 2 2 324.425 -1.373 20 30 DAEDLP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199097081 782169349 /nfs/dbraw/zinc/16/93/49/782169349.db2.gz VTLYYYAMFPOIHP-BFHYXJOUSA-N 2 2 324.425 -1.374 20 30 DAEDLP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199097081 782169355 /nfs/dbraw/zinc/16/93/55/782169355.db2.gz VTLYYYAMFPOIHP-BFHYXJOUSA-N 2 2 324.425 -1.374 20 30 DAEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199097081 782169360 /nfs/dbraw/zinc/16/93/60/782169360.db2.gz VTLYYYAMFPOIHP-BFHYXJOUSA-N 2 2 324.425 -1.374 20 30 DAEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199097081 782169363 /nfs/dbraw/zinc/16/93/63/782169363.db2.gz VTLYYYAMFPOIHP-BFHYXJOUSA-N 2 2 324.425 -1.374 20 30 DAEDLP C#CC[N@@H+](C[C@H](O)[C@H](C)O)C1CC[NH+](C[C@@H](O)[C@H](C)O)CC1 ZINC000931592620 663994238 /nfs/dbraw/zinc/99/42/38/663994238.db2.gz VIXUNAUVGXJDJW-UGQVUOCMSA-N 2 2 314.426 -1.131 20 30 DAEDLP C#CC[N@H+](C[C@H](O)[C@H](C)O)C1CC[NH+](C[C@@H](O)[C@H](C)O)CC1 ZINC000931592620 663994243 /nfs/dbraw/zinc/99/42/43/663994243.db2.gz VIXUNAUVGXJDJW-UGQVUOCMSA-N 2 2 314.426 -1.131 20 30 DAEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001070165239 678857575 /nfs/dbraw/zinc/85/75/75/678857575.db2.gz KDWBFIQGFJYSQO-HZSPNIEDSA-N 2 2 318.381 -1.417 20 30 DAEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001070165239 678857579 /nfs/dbraw/zinc/85/75/79/678857579.db2.gz KDWBFIQGFJYSQO-HZSPNIEDSA-N 2 2 318.381 -1.417 20 30 DAEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986996 782524271 /nfs/dbraw/zinc/52/42/71/782524271.db2.gz SANQZEICWXBGST-CHWSQXEVSA-N 2 2 312.414 -1.208 20 30 DAEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986996 782524272 /nfs/dbraw/zinc/52/42/72/782524272.db2.gz SANQZEICWXBGST-CHWSQXEVSA-N 2 2 312.414 -1.208 20 30 DAEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001100110040 782554480 /nfs/dbraw/zinc/55/44/80/782554480.db2.gz ONYWPCOTEFRAMH-KBPBESRZSA-N 2 2 324.425 -1.064 20 30 DAEDLP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001100110040 782554487 /nfs/dbraw/zinc/55/44/87/782554487.db2.gz ONYWPCOTEFRAMH-KBPBESRZSA-N 2 2 324.425 -1.064 20 30 DAEDLP C#CCNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](O)C1 ZINC001100131682 782559476 /nfs/dbraw/zinc/55/94/76/782559476.db2.gz HFGIBOHCIAJXFK-ZIAGYGMSSA-N 2 2 324.425 -1.373 20 30 DAEDLP C#CCNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H](O)C1 ZINC001100131682 782559485 /nfs/dbraw/zinc/55/94/85/782559485.db2.gz HFGIBOHCIAJXFK-ZIAGYGMSSA-N 2 2 324.425 -1.373 20 30 DAEDLP C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100131682 782559497 /nfs/dbraw/zinc/55/94/97/782559497.db2.gz HFGIBOHCIAJXFK-ZIAGYGMSSA-N 2 2 324.425 -1.373 20 30 DAEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100131682 782559506 /nfs/dbraw/zinc/55/95/06/782559506.db2.gz HFGIBOHCIAJXFK-ZIAGYGMSSA-N 2 2 324.425 -1.373 20 30 DAEDLP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001100131679 782560682 /nfs/dbraw/zinc/56/06/82/782560682.db2.gz HFGIBOHCIAJXFK-KBPBESRZSA-N 2 2 324.425 -1.373 20 30 DAEDLP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001100131679 782560688 /nfs/dbraw/zinc/56/06/88/782560688.db2.gz HFGIBOHCIAJXFK-KBPBESRZSA-N 2 2 324.425 -1.373 20 30 DAEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100131679 782560693 /nfs/dbraw/zinc/56/06/93/782560693.db2.gz HFGIBOHCIAJXFK-KBPBESRZSA-N 2 2 324.425 -1.373 20 30 DAEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100131679 782560698 /nfs/dbraw/zinc/56/06/98/782560698.db2.gz HFGIBOHCIAJXFK-KBPBESRZSA-N 2 2 324.425 -1.373 20 30 DAEDLP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001266516984 775148095 /nfs/dbraw/zinc/14/80/95/775148095.db2.gz KXYAZCCMMZWPQY-STQMWFEESA-N 2 2 308.382 -1.743 20 30 DAEDLP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001266516984 775148098 /nfs/dbraw/zinc/14/80/98/775148098.db2.gz KXYAZCCMMZWPQY-STQMWFEESA-N 2 2 308.382 -1.743 20 30 DAEDLP C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001267189830 775209684 /nfs/dbraw/zinc/20/96/84/775209684.db2.gz WCGCBTQEJZNBPJ-STQMWFEESA-N 2 2 310.398 -1.497 20 30 DAEDLP C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001267189830 775209692 /nfs/dbraw/zinc/20/96/92/775209692.db2.gz WCGCBTQEJZNBPJ-STQMWFEESA-N 2 2 310.398 -1.497 20 30 DAEDLP C#CCNC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001267189830 775209703 /nfs/dbraw/zinc/20/97/03/775209703.db2.gz WCGCBTQEJZNBPJ-STQMWFEESA-N 2 2 310.398 -1.497 20 30 DAEDLP C#CCNC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001267189830 775209709 /nfs/dbraw/zinc/20/97/09/775209709.db2.gz WCGCBTQEJZNBPJ-STQMWFEESA-N 2 2 310.398 -1.497 20 30 DAEDLP C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001267189829 775211265 /nfs/dbraw/zinc/21/12/65/775211265.db2.gz WCGCBTQEJZNBPJ-QWHCGFSZSA-N 2 2 310.398 -1.497 20 30 DAEDLP C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001267189829 775211269 /nfs/dbraw/zinc/21/12/69/775211269.db2.gz WCGCBTQEJZNBPJ-QWHCGFSZSA-N 2 2 310.398 -1.497 20 30 DAEDLP C#CCNC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001267189829 775211276 /nfs/dbraw/zinc/21/12/76/775211276.db2.gz WCGCBTQEJZNBPJ-QWHCGFSZSA-N 2 2 310.398 -1.497 20 30 DAEDLP C#CCNC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001267189829 775211282 /nfs/dbraw/zinc/21/12/82/775211282.db2.gz WCGCBTQEJZNBPJ-QWHCGFSZSA-N 2 2 310.398 -1.497 20 30 DAEDLP C#CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001268442912 775383715 /nfs/dbraw/zinc/38/37/15/775383715.db2.gz HMOLVXVTFYVPCN-CYBMUJFWSA-N 2 2 310.398 -1.496 20 30 DAEDLP C#CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001268442912 775383717 /nfs/dbraw/zinc/38/37/17/775383717.db2.gz HMOLVXVTFYVPCN-CYBMUJFWSA-N 2 2 310.398 -1.496 20 30 DAEDLP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099986959 776217312 /nfs/dbraw/zinc/21/73/12/776217312.db2.gz RQWJCNCQWXAJHH-VXGBXAGGSA-N 2 2 311.386 -1.871 20 30 DAEDLP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099986959 776217319 /nfs/dbraw/zinc/21/73/19/776217319.db2.gz RQWJCNCQWXAJHH-VXGBXAGGSA-N 2 2 311.386 -1.871 20 30 DAEDLP C#CCNC(=O)C[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001100065094 776255200 /nfs/dbraw/zinc/25/52/00/776255200.db2.gz XGFUTQDJUNWBSB-KGLIPLIRSA-N 2 2 324.425 -1.371 20 30 DAEDLP C#CCNC(=O)C[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001100065094 776255206 /nfs/dbraw/zinc/25/52/06/776255206.db2.gz XGFUTQDJUNWBSB-KGLIPLIRSA-N 2 2 324.425 -1.371 20 30 DAEDLP C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001100065094 776255211 /nfs/dbraw/zinc/25/52/11/776255211.db2.gz XGFUTQDJUNWBSB-KGLIPLIRSA-N 2 2 324.425 -1.371 20 30 DAEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001100065094 776255215 /nfs/dbraw/zinc/25/52/15/776255215.db2.gz XGFUTQDJUNWBSB-KGLIPLIRSA-N 2 2 324.425 -1.371 20 30 DAEDLP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001100065093 776255342 /nfs/dbraw/zinc/25/53/42/776255342.db2.gz XGFUTQDJUNWBSB-KBPBESRZSA-N 2 2 324.425 -1.371 20 30 DAEDLP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001100065093 776255347 /nfs/dbraw/zinc/25/53/47/776255347.db2.gz XGFUTQDJUNWBSB-KBPBESRZSA-N 2 2 324.425 -1.371 20 30 DAEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001100065093 776255348 /nfs/dbraw/zinc/25/53/48/776255348.db2.gz XGFUTQDJUNWBSB-KBPBESRZSA-N 2 2 324.425 -1.371 20 30 DAEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001100065093 776255354 /nfs/dbraw/zinc/25/53/54/776255354.db2.gz XGFUTQDJUNWBSB-KBPBESRZSA-N 2 2 324.425 -1.371 20 30 DAEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001100109285 776271318 /nfs/dbraw/zinc/27/13/18/776271318.db2.gz CBVVSTXUAYZNJG-KGLIPLIRSA-N 2 2 322.409 -1.617 20 30 DAEDLP C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001100109285 776271326 /nfs/dbraw/zinc/27/13/26/776271326.db2.gz CBVVSTXUAYZNJG-KGLIPLIRSA-N 2 2 322.409 -1.617 20 30 DAEDLP COCC#CC[NH2+]CCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001133255541 776663307 /nfs/dbraw/zinc/66/33/07/776663307.db2.gz RFAZKAZWDIYLLV-AWEZNQCLSA-N 2 2 321.381 -1.188 20 30 DAEDLP COCC#CC[NH2+]CCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001133255541 776663312 /nfs/dbraw/zinc/66/33/12/776663312.db2.gz RFAZKAZWDIYLLV-AWEZNQCLSA-N 2 2 321.381 -1.188 20 30 DAEDLP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135754697 776768901 /nfs/dbraw/zinc/76/89/01/776768901.db2.gz HZAWLAWLOVRIRF-UHFFFAOYSA-N 2 2 308.342 -1.330 20 30 DAEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153500530 779704691 /nfs/dbraw/zinc/70/46/91/779704691.db2.gz NVYLJRCWBNEHAK-LLVKDONJSA-N 2 2 322.369 -1.011 20 30 DAEDLP C=CC[NH+]1CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)CC1 ZINC001160431930 779806990 /nfs/dbraw/zinc/80/69/90/779806990.db2.gz IYVIUGYRECHNQP-UHFFFAOYSA-N 2 2 304.416 -1.463 20 30 DAEDLP C=CC[NH+]1CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CC1 ZINC001160437385 779807156 /nfs/dbraw/zinc/80/71/56/779807156.db2.gz UOIZGOZQBFHISY-QWRGUYRKSA-N 2 2 311.386 -1.976 20 30 DAEDLP N#Cc1nccnc1N1CCN(C(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)CC1 ZINC001160637499 779813426 /nfs/dbraw/zinc/81/34/26/779813426.db2.gz QNKBVNHPLIUGFO-QWRGUYRKSA-N 2 2 301.354 -1.314 20 30 DAEDLP C[N@@H+]1CCO[C@H](C(=O)N[C@H](C[NH2+]CC(=O)NCC#N)C2CC2)C1 ZINC001276564185 779935141 /nfs/dbraw/zinc/93/51/41/779935141.db2.gz VTIZRDTXADGCJT-OLZOCXBDSA-N 2 2 323.397 -1.559 20 30 DAEDLP C[N@H+]1CCO[C@H](C(=O)N[C@H](C[NH2+]CC(=O)NCC#N)C2CC2)C1 ZINC001276564185 779935147 /nfs/dbraw/zinc/93/51/47/779935147.db2.gz VTIZRDTXADGCJT-OLZOCXBDSA-N 2 2 323.397 -1.559 20 30 DAEDLP C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213347956 779975177 /nfs/dbraw/zinc/97/51/77/779975177.db2.gz DLGYIEBNQRWZAW-ZIAGYGMSSA-N 2 2 324.425 -1.107 20 30 DAEDLP C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213347956 779975185 /nfs/dbraw/zinc/97/51/85/779975185.db2.gz DLGYIEBNQRWZAW-ZIAGYGMSSA-N 2 2 324.425 -1.107 20 30 DAEDLP C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213376781 779976386 /nfs/dbraw/zinc/97/63/86/779976386.db2.gz HNINHMMUVAEASG-CHWSQXEVSA-N 2 2 310.398 -1.497 20 30 DAEDLP C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213376781 779976393 /nfs/dbraw/zinc/97/63/93/779976393.db2.gz HNINHMMUVAEASG-CHWSQXEVSA-N 2 2 310.398 -1.497 20 30 DAEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213374793 779977530 /nfs/dbraw/zinc/97/75/30/779977530.db2.gz XXCZSINRIYTGSD-BFHYXJOUSA-N 2 2 324.425 -1.109 20 30 DAEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213374793 779977534 /nfs/dbraw/zinc/97/75/34/779977534.db2.gz XXCZSINRIYTGSD-BFHYXJOUSA-N 2 2 324.425 -1.109 20 30 DAEDLP N#Cc1c(N)nc(=NC2CC2)n(C(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)c1N ZINC001218597010 780034695 /nfs/dbraw/zinc/03/46/95/780034695.db2.gz INGOKZVPDBOCML-RCOVLWMOSA-N 2 2 302.342 -1.688 20 30 DAEDLP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001219411224 780094034 /nfs/dbraw/zinc/09/40/34/780094034.db2.gz ANBRLPAYCJICQT-RDBSUJKOSA-N 2 2 313.398 -1.319 20 30 DAEDLP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001219411224 780094037 /nfs/dbraw/zinc/09/40/37/780094037.db2.gz ANBRLPAYCJICQT-RDBSUJKOSA-N 2 2 313.398 -1.319 20 30 DAEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001219411224 780094041 /nfs/dbraw/zinc/09/40/41/780094041.db2.gz ANBRLPAYCJICQT-RDBSUJKOSA-N 2 2 313.398 -1.319 20 30 DAEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001219411224 780094043 /nfs/dbraw/zinc/09/40/43/780094043.db2.gz ANBRLPAYCJICQT-RDBSUJKOSA-N 2 2 313.398 -1.319 20 30 DAEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)[C@@H](O)C1 ZINC001219800535 780148739 /nfs/dbraw/zinc/14/87/39/780148739.db2.gz QDWKZRJLXFXNFL-KFWWJZLASA-N 2 2 319.409 -1.002 20 30 DAEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)[C@@H](O)C1 ZINC001219800535 780148742 /nfs/dbraw/zinc/14/87/42/780148742.db2.gz QDWKZRJLXFXNFL-KFWWJZLASA-N 2 2 319.409 -1.002 20 30 DAEDLP C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)C1=O ZINC001220277396 780198180 /nfs/dbraw/zinc/19/81/80/780198180.db2.gz ZDOLEIQVSOLCLF-RDBSUJKOSA-N 2 2 324.425 -1.114 20 30 DAEDLP C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)C1=O ZINC001220277396 780198187 /nfs/dbraw/zinc/19/81/87/780198187.db2.gz ZDOLEIQVSOLCLF-RDBSUJKOSA-N 2 2 324.425 -1.114 20 30 DAEDLP C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001278139908 780430499 /nfs/dbraw/zinc/43/04/99/780430499.db2.gz WQQQQZBVYWOHNJ-OLZOCXBDSA-N 2 2 312.414 -1.160 20 30 DAEDLP C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001278139908 780430507 /nfs/dbraw/zinc/43/05/07/780430507.db2.gz WQQQQZBVYWOHNJ-OLZOCXBDSA-N 2 2 312.414 -1.160 20 30 DAEDLP C=CCNC(=O)C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001278767202 780483907 /nfs/dbraw/zinc/48/39/07/780483907.db2.gz QHIBYWNXIKUQHK-CZUORRHYSA-N 2 2 324.425 -1.064 20 30 DAEDLP C=CCNC(=O)C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001278767202 780483912 /nfs/dbraw/zinc/48/39/12/780483912.db2.gz QHIBYWNXIKUQHK-CZUORRHYSA-N 2 2 324.425 -1.064 20 30 DAEDLP C=CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001278767202 780483918 /nfs/dbraw/zinc/48/39/18/780483918.db2.gz QHIBYWNXIKUQHK-CZUORRHYSA-N 2 2 324.425 -1.064 20 30 DAEDLP C=CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001278767202 780483924 /nfs/dbraw/zinc/48/39/24/780483924.db2.gz QHIBYWNXIKUQHK-CZUORRHYSA-N 2 2 324.425 -1.064 20 30 DAEDLP C#CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001278820612 780492226 /nfs/dbraw/zinc/49/22/26/780492226.db2.gz DAFTWLJHQUVZFX-INIZCTEOSA-N 2 2 322.409 -1.615 20 30 DAEDLP C#CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001278820612 780492231 /nfs/dbraw/zinc/49/22/31/780492231.db2.gz DAFTWLJHQUVZFX-INIZCTEOSA-N 2 2 322.409 -1.615 20 30 DAEDLP C#CCNC(=O)C[N@H+](C)CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001264974186 780587961 /nfs/dbraw/zinc/58/79/61/780587961.db2.gz SEJFFGKPUAMXQL-ZDUSSCGKSA-N 2 2 310.398 -1.496 20 30 DAEDLP C#CCNC(=O)C[N@@H+](C)CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001264974186 780587965 /nfs/dbraw/zinc/58/79/65/780587965.db2.gz SEJFFGKPUAMXQL-ZDUSSCGKSA-N 2 2 310.398 -1.496 20 30 DAEDLP C#CCNC(=O)C[NH+](C)CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001264974186 780587968 /nfs/dbraw/zinc/58/79/68/780587968.db2.gz SEJFFGKPUAMXQL-ZDUSSCGKSA-N 2 2 310.398 -1.496 20 30 DAEDLP C#CCNC(=O)C[NH+](C)CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001264974186 780587973 /nfs/dbraw/zinc/58/79/73/780587973.db2.gz SEJFFGKPUAMXQL-ZDUSSCGKSA-N 2 2 310.398 -1.496 20 30 DAEDLP C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001178414484 781646761 /nfs/dbraw/zinc/64/67/61/781646761.db2.gz KCTKBRDONBQORC-AVGNSLFASA-N 2 2 323.397 -1.464 20 30 DAEDLP C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001178414484 781646767 /nfs/dbraw/zinc/64/67/67/781646767.db2.gz KCTKBRDONBQORC-AVGNSLFASA-N 2 2 323.397 -1.464 20 30 DAEDLP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001181822126 781694468 /nfs/dbraw/zinc/69/44/68/781694468.db2.gz NMAZLCPLILVKGM-CHWSQXEVSA-N 2 2 310.398 -1.190 20 30 DAEDLP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001181822126 781694475 /nfs/dbraw/zinc/69/44/75/781694475.db2.gz NMAZLCPLILVKGM-CHWSQXEVSA-N 2 2 310.398 -1.190 20 30 DAEDLP N#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001327034215 916983974 /nfs/dbraw/zinc/98/39/74/916983974.db2.gz JYVHPYPQKMYGNG-GFCCVEGCSA-N 2 2 320.353 -1.591 20 30 DAEDLP C#CC[NH2+]CC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001341698743 917764432 /nfs/dbraw/zinc/76/44/32/917764432.db2.gz AFQSBTUFKVAIRY-UHFFFAOYSA-N 2 2 301.412 -1.166 20 30 DAEDLP OC[C@@]1(O)CCC[NH+](CC#CC[N@H+]2CCC[C@@](O)(CO)C2)C1 ZINC000625464913 372821962 /nfs/dbraw/zinc/82/19/62/372821962.db2.gz IUMOBHPBNNIGAZ-IYBDPMFKSA-N 2 2 312.410 -1.372 20 30 DAEDLP OC[C@@]1(O)CCC[NH+](CC#CC[N@@H+]2CCC[C@@](O)(CO)C2)C1 ZINC000625464913 372821967 /nfs/dbraw/zinc/82/19/67/372821967.db2.gz IUMOBHPBNNIGAZ-IYBDPMFKSA-N 2 2 312.410 -1.372 20 30 DAEDLP OC[C@@]1(O)CCC[N@@H+](CC#CC[NH+]2CCC[C@@](O)(CO)C2)C1 ZINC000625464913 372821973 /nfs/dbraw/zinc/82/19/73/372821973.db2.gz IUMOBHPBNNIGAZ-IYBDPMFKSA-N 2 2 312.410 -1.372 20 30 DAEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@H+](CCO)[C@@H](C)C2)CC1 ZINC000491037930 372924222 /nfs/dbraw/zinc/92/42/22/372924222.db2.gz HCRBQXGLVKCXDD-HNNXBMFYSA-N 2 2 308.426 -1.238 20 30 DAEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@@H+](CCO)[C@@H](C)C2)CC1 ZINC000491037930 372924226 /nfs/dbraw/zinc/92/42/26/372924226.db2.gz HCRBQXGLVKCXDD-HNNXBMFYSA-N 2 2 308.426 -1.238 20 30 DAEDLP C=CCN1C(=O)C(=O)N(CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1=O ZINC000647873499 409402389 /nfs/dbraw/zinc/40/23/89/409402389.db2.gz QXOLNUCSGUSUJV-JTQLQIEISA-N 2 2 323.353 -1.936 20 30 DAEDLP C=CCN1C(=O)C(=O)N(CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1=O ZINC000647873499 409402395 /nfs/dbraw/zinc/40/23/95/409402395.db2.gz QXOLNUCSGUSUJV-JTQLQIEISA-N 2 2 323.353 -1.936 20 30 DAEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195869960 782086862 /nfs/dbraw/zinc/08/68/62/782086862.db2.gz GCGLZYUYFLXLEA-YNEHKIRRSA-N 2 2 310.398 -1.763 20 30 DAEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195869960 782086873 /nfs/dbraw/zinc/08/68/73/782086873.db2.gz GCGLZYUYFLXLEA-YNEHKIRRSA-N 2 2 310.398 -1.763 20 30 DAEDLP C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001195860550 782085970 /nfs/dbraw/zinc/08/59/70/782085970.db2.gz ZDOLEIQVSOLCLF-HZSPNIEDSA-N 2 2 324.425 -1.114 20 30 DAEDLP C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001195860550 782085973 /nfs/dbraw/zinc/08/59/73/782085973.db2.gz ZDOLEIQVSOLCLF-HZSPNIEDSA-N 2 2 324.425 -1.114 20 30 DAEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199097084 782169975 /nfs/dbraw/zinc/16/99/75/782169975.db2.gz VTLYYYAMFPOIHP-MGPQQGTHSA-N 2 2 324.425 -1.374 20 30 DAEDLP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199097084 782169950 /nfs/dbraw/zinc/16/99/50/782169950.db2.gz VTLYYYAMFPOIHP-MGPQQGTHSA-N 2 2 324.425 -1.374 20 30 DAEDLP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199097084 782169958 /nfs/dbraw/zinc/16/99/58/782169958.db2.gz VTLYYYAMFPOIHP-MGPQQGTHSA-N 2 2 324.425 -1.374 20 30 DAEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199097084 782169965 /nfs/dbraw/zinc/16/99/65/782169965.db2.gz VTLYYYAMFPOIHP-MGPQQGTHSA-N 2 2 324.425 -1.374 20 30 DAEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000884290035 663963857 /nfs/dbraw/zinc/96/38/57/663963857.db2.gz QIMLRGMCCMSQDV-STQMWFEESA-N 2 2 310.398 -1.061 20 30 DAEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000884290034 663964345 /nfs/dbraw/zinc/96/43/45/663964345.db2.gz QIMLRGMCCMSQDV-OLZOCXBDSA-N 2 2 310.398 -1.061 20 30 DAEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001077816937 677883461 /nfs/dbraw/zinc/88/34/61/677883461.db2.gz DSCBJARSVSRZFH-ZIAGYGMSSA-N 2 2 305.382 -1.147 20 30 DAEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001077816937 677883463 /nfs/dbraw/zinc/88/34/63/677883463.db2.gz DSCBJARSVSRZFH-ZIAGYGMSSA-N 2 2 305.382 -1.147 20 30 DAEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001047415189 678517331 /nfs/dbraw/zinc/51/73/31/678517331.db2.gz LYJSBWAPSJSJFX-KKUMJFAQSA-N 2 2 309.410 -1.030 20 30 DAEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047415189 678517332 /nfs/dbraw/zinc/51/73/32/678517332.db2.gz LYJSBWAPSJSJFX-KKUMJFAQSA-N 2 2 309.410 -1.030 20 30 DAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](CCCO)C[C@@H]1O 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2 324.425 -1.371 20 30 DAEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@H](O)C1 ZINC001100082810 782547469 /nfs/dbraw/zinc/54/74/69/782547469.db2.gz ILKXJOJAPIKXHK-UONOGXRCSA-N 2 2 324.425 -1.371 20 30 DAEDLP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](O)C1 ZINC001100131681 782559389 /nfs/dbraw/zinc/55/93/89/782559389.db2.gz HFGIBOHCIAJXFK-UONOGXRCSA-N 2 2 324.425 -1.373 20 30 DAEDLP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@H](O)C1 ZINC001100131681 782559398 /nfs/dbraw/zinc/55/93/98/782559398.db2.gz HFGIBOHCIAJXFK-UONOGXRCSA-N 2 2 324.425 -1.373 20 30 DAEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100131681 782559410 /nfs/dbraw/zinc/55/94/10/782559410.db2.gz HFGIBOHCIAJXFK-UONOGXRCSA-N 2 2 324.425 -1.373 20 30 DAEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100131681 782559416 /nfs/dbraw/zinc/55/94/16/782559416.db2.gz HFGIBOHCIAJXFK-UONOGXRCSA-N 2 2 324.425 -1.373 20 30 DAEDLP C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001267189827 775210261 /nfs/dbraw/zinc/21/02/61/775210261.db2.gz WCGCBTQEJZNBPJ-CHWSQXEVSA-N 2 2 310.398 -1.497 20 30 DAEDLP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001267189827 775210270 /nfs/dbraw/zinc/21/02/70/775210270.db2.gz WCGCBTQEJZNBPJ-CHWSQXEVSA-N 2 2 310.398 -1.497 20 30 DAEDLP C#CCNC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001267189827 775210279 /nfs/dbraw/zinc/21/02/79/775210279.db2.gz WCGCBTQEJZNBPJ-CHWSQXEVSA-N 2 2 310.398 -1.497 20 30 DAEDLP C#CCNC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001267189827 775210287 /nfs/dbraw/zinc/21/02/87/775210287.db2.gz WCGCBTQEJZNBPJ-CHWSQXEVSA-N 2 2 310.398 -1.497 20 30 DAEDLP C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001268324412 775371216 /nfs/dbraw/zinc/37/12/16/775371216.db2.gz NXCPNYYBDWIGFJ-JQWIXIFHSA-N 2 2 307.354 -1.843 20 30 DAEDLP C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001268333208 775376499 /nfs/dbraw/zinc/37/64/99/775376499.db2.gz RLFIGVUIVZRCEH-RYUDHWBXSA-N 2 2 321.381 -1.535 20 30 DAEDLP C#CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001268750505 775420613 /nfs/dbraw/zinc/42/06/13/775420613.db2.gz MCIGJBGOSIPKRE-AWEZNQCLSA-N 2 2 324.425 -1.105 20 30 DAEDLP C#CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001268750505 775420615 /nfs/dbraw/zinc/42/06/15/775420615.db2.gz MCIGJBGOSIPKRE-AWEZNQCLSA-N 2 2 324.425 -1.105 20 30 DAEDLP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001114091395 776447377 /nfs/dbraw/zinc/44/73/77/776447377.db2.gz VZFWPQJCVOSOLT-SFDCQRBFSA-N 2 2 320.393 -1.887 20 30 DAEDLP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001114091395 776447382 /nfs/dbraw/zinc/44/73/82/776447382.db2.gz VZFWPQJCVOSOLT-SFDCQRBFSA-N 2 2 320.393 -1.887 20 30 DAEDLP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001114091395 776447386 /nfs/dbraw/zinc/44/73/86/776447386.db2.gz VZFWPQJCVOSOLT-SFDCQRBFSA-N 2 2 320.393 -1.887 20 30 DAEDLP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001114091395 776447391 /nfs/dbraw/zinc/44/73/91/776447391.db2.gz VZFWPQJCVOSOLT-SFDCQRBFSA-N 2 2 320.393 -1.887 20 30 DAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001129775256 776481477 /nfs/dbraw/zinc/48/14/77/776481477.db2.gz KVRHKJCBXVGNMV-NSHDSACASA-N 2 2 306.370 -1.588 20 30 DAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001129775256 776481482 /nfs/dbraw/zinc/48/14/82/776481482.db2.gz KVRHKJCBXVGNMV-NSHDSACASA-N 2 2 306.370 -1.588 20 30 DAEDLP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001130488708 776514530 /nfs/dbraw/zinc/51/45/30/776514530.db2.gz UZRKSAXGRNYPLB-LBPRGKRZSA-N 2 2 303.366 -1.099 20 30 DAEDLP C#CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001152550754 779694547 /nfs/dbraw/zinc/69/45/47/779694547.db2.gz DQFNLHKUJFVAJS-ZIAGYGMSSA-N 2 2 324.425 -1.107 20 30 DAEDLP C#CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001152550754 779694549 /nfs/dbraw/zinc/69/45/49/779694549.db2.gz DQFNLHKUJFVAJS-ZIAGYGMSSA-N 2 2 324.425 -1.107 20 30 DAEDLP C#CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001152550754 779694551 /nfs/dbraw/zinc/69/45/51/779694551.db2.gz DQFNLHKUJFVAJS-ZIAGYGMSSA-N 2 2 324.425 -1.107 20 30 DAEDLP C#CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001152550754 779694553 /nfs/dbraw/zinc/69/45/53/779694553.db2.gz DQFNLHKUJFVAJS-ZIAGYGMSSA-N 2 2 324.425 -1.107 20 30 DAEDLP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153488005 779704377 /nfs/dbraw/zinc/70/43/77/779704377.db2.gz ZLOABKSWWBRODL-UHFFFAOYSA-N 2 2 308.342 -1.399 20 30 DAEDLP C=C(C)C(=O)NCCCNC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220043118 780173948 /nfs/dbraw/zinc/17/39/48/780173948.db2.gz FYHACZPNRVENLE-CYBMUJFWSA-N 2 2 311.430 -1.065 20 30 DAEDLP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001220689268 780242189 /nfs/dbraw/zinc/24/21/89/780242189.db2.gz CHXJFLYTDMNGQQ-MJBXVCDLSA-N 2 2 324.425 -1.373 20 30 DAEDLP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001220689268 780242191 /nfs/dbraw/zinc/24/21/91/780242191.db2.gz CHXJFLYTDMNGQQ-MJBXVCDLSA-N 2 2 324.425 -1.373 20 30 DAEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220689268 780242195 /nfs/dbraw/zinc/24/21/95/780242195.db2.gz CHXJFLYTDMNGQQ-MJBXVCDLSA-N 2 2 324.425 -1.373 20 30 DAEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220689268 780242200 /nfs/dbraw/zinc/24/22/00/780242200.db2.gz CHXJFLYTDMNGQQ-MJBXVCDLSA-N 2 2 324.425 -1.373 20 30 DAEDLP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091726 780276640 /nfs/dbraw/zinc/27/66/40/780276640.db2.gz VTLYYYAMFPOIHP-MCIONIFRSA-N 2 2 324.425 -1.374 20 30 DAEDLP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091726 780276645 /nfs/dbraw/zinc/27/66/45/780276645.db2.gz VTLYYYAMFPOIHP-MCIONIFRSA-N 2 2 324.425 -1.374 20 30 DAEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221091726 780276654 /nfs/dbraw/zinc/27/66/54/780276654.db2.gz VTLYYYAMFPOIHP-MCIONIFRSA-N 2 2 324.425 -1.374 20 30 DAEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221091726 780276664 /nfs/dbraw/zinc/27/66/64/780276664.db2.gz VTLYYYAMFPOIHP-MCIONIFRSA-N 2 2 324.425 -1.374 20 30 DAEDLP N#Cc1ccccc1C[C@H]([NH3+])C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001221264915 780288876 /nfs/dbraw/zinc/28/88/76/780288876.db2.gz CJGJUMVWLWFWFW-RFQIPJPRSA-N 2 2 315.381 -2.053 20 30 DAEDLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N ZINC001278106372 780428593 /nfs/dbraw/zinc/42/85/93/780428593.db2.gz XWJPIJXWLZUPOQ-VXGBXAGGSA-N 2 2 311.386 -1.823 20 30 DAEDLP C#CCNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001278212537 780437014 /nfs/dbraw/zinc/43/70/14/780437014.db2.gz KBTRUSOOBQJNQH-NEPJUHHUSA-N 2 2 307.354 -1.912 20 30 DAEDLP C#CCOC[C@H](O)C[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246050934 780449910 /nfs/dbraw/zinc/44/99/10/780449910.db2.gz GMGVITDHTLAPAN-CYBMUJFWSA-N 3 2 300.403 -1.887 20 30 DAEDLP C#CCOC[C@H](O)C[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246050934 780449917 /nfs/dbraw/zinc/44/99/17/780449917.db2.gz GMGVITDHTLAPAN-CYBMUJFWSA-N 3 2 300.403 -1.887 20 30 DAEDLP C=CCNC(=O)C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001278767197 780483503 /nfs/dbraw/zinc/48/35/03/780483503.db2.gz QHIBYWNXIKUQHK-BBRMVZONSA-N 2 2 324.425 -1.064 20 30 DAEDLP C=CCNC(=O)C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001278767197 780483507 /nfs/dbraw/zinc/48/35/07/780483507.db2.gz QHIBYWNXIKUQHK-BBRMVZONSA-N 2 2 324.425 -1.064 20 30 DAEDLP C=CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001278767197 780483510 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C[NH+](C)CCC(=O)NCC[NH+]1CCN(CC(=O)NCC#N)CC1 ZINC001316966446 916243260 /nfs/dbraw/zinc/24/32/60/916243260.db2.gz CIEDWHVCDJKQGB-UHFFFAOYSA-N 2 2 324.429 -1.688 20 30 DAEDLP C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)Cc1c[nH+]cn1C ZINC001321336895 916567390 /nfs/dbraw/zinc/56/73/90/916567390.db2.gz NESZVDZVFZRPIN-SNAWJCMRSA-N 2 2 303.366 -1.026 20 30 DAEDLP N#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001327034216 916984312 /nfs/dbraw/zinc/98/43/12/916984312.db2.gz JYVHPYPQKMYGNG-LBPRGKRZSA-N 2 2 320.353 -1.591 20 30 DAEDLP C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001332591434 917389853 /nfs/dbraw/zinc/38/98/53/917389853.db2.gz IANXMPRQSVCRPN-CYBMUJFWSA-N 2 2 321.381 -1.879 20 30 DAEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000266081437 373339335 /nfs/dbraw/zinc/33/93/35/373339335.db2.gz BNYSHZCLTGDZKI-CQSZACIVSA-N 2 2 322.409 -1.399 20 30 DAEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000266081437 373339341 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2 2 308.382 -1.743 20 30 DAEDLP C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001267189828 775210134 /nfs/dbraw/zinc/21/01/34/775210134.db2.gz WCGCBTQEJZNBPJ-OLZOCXBDSA-N 2 2 310.398 -1.497 20 30 DAEDLP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001267189828 775210145 /nfs/dbraw/zinc/21/01/45/775210145.db2.gz WCGCBTQEJZNBPJ-OLZOCXBDSA-N 2 2 310.398 -1.497 20 30 DAEDLP C#CCNC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001267189828 775210152 /nfs/dbraw/zinc/21/01/52/775210152.db2.gz WCGCBTQEJZNBPJ-OLZOCXBDSA-N 2 2 310.398 -1.497 20 30 DAEDLP C#CCNC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001267189828 775210160 /nfs/dbraw/zinc/21/01/60/775210160.db2.gz WCGCBTQEJZNBPJ-OLZOCXBDSA-N 2 2 310.398 -1.497 20 30 DAEDLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CC(=O)NCC#N)C1 ZINC001267953007 775299940 /nfs/dbraw/zinc/29/99/40/775299940.db2.gz BRBHEXNBGDUFEZ-CHWSQXEVSA-N 2 2 323.397 -1.463 20 30 DAEDLP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001268339199 775376345 /nfs/dbraw/zinc/37/63/45/775376345.db2.gz SDBHVPCLPPURNK-NEPJUHHUSA-N 2 2 307.354 -1.912 20 30 DAEDLP C#CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001268442913 775384710 /nfs/dbraw/zinc/38/47/10/775384710.db2.gz HMOLVXVTFYVPCN-ZDUSSCGKSA-N 2 2 310.398 -1.496 20 30 DAEDLP C#CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001268442913 775384721 /nfs/dbraw/zinc/38/47/21/775384721.db2.gz HMOLVXVTFYVPCN-ZDUSSCGKSA-N 2 2 310.398 -1.496 20 30 DAEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986395 776216549 /nfs/dbraw/zinc/21/65/49/776216549.db2.gz KDYOOLXJBASKJJ-STQMWFEESA-N 2 2 310.398 -1.761 20 30 DAEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986395 776216559 /nfs/dbraw/zinc/21/65/59/776216559.db2.gz KDYOOLXJBASKJJ-STQMWFEESA-N 2 2 310.398 -1.761 20 30 DAEDLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21 ZINC001114058090 776444797 /nfs/dbraw/zinc/44/47/97/776444797.db2.gz QHHUDVDZOMJSRX-KZVDOYCCSA-N 2 2 305.382 -1.233 20 30 DAEDLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21 ZINC001114058090 776444799 /nfs/dbraw/zinc/44/47/99/776444799.db2.gz QHHUDVDZOMJSRX-KZVDOYCCSA-N 2 2 305.382 -1.233 20 30 DAEDLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001114058090 776444803 /nfs/dbraw/zinc/44/48/03/776444803.db2.gz QHHUDVDZOMJSRX-KZVDOYCCSA-N 2 2 305.382 -1.233 20 30 DAEDLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001114058090 776444806 /nfs/dbraw/zinc/44/48/06/776444806.db2.gz QHHUDVDZOMJSRX-KZVDOYCCSA-N 2 2 305.382 -1.233 20 30 DAEDLP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130404724 776508533 /nfs/dbraw/zinc/50/85/33/776508533.db2.gz NVMDEYVLWSFCBD-GFCCVEGCSA-N 2 2 303.366 -1.099 20 30 DAEDLP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130481598 776512601 /nfs/dbraw/zinc/51/26/01/776512601.db2.gz XGKTYVBBQOBKAY-GFCCVEGCSA-N 2 2 303.366 -1.099 20 30 DAEDLP N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130481270 776512641 /nfs/dbraw/zinc/51/26/41/776512641.db2.gz OFYZEXTZQJWODB-LLVKDONJSA-N 2 2 304.354 -1.209 20 30 DAEDLP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001130477664 776513535 /nfs/dbraw/zinc/51/35/35/776513535.db2.gz HINOXSHBFQVXCV-LBPRGKRZSA-N 2 2 303.366 -1.099 20 30 DAEDLP C#CCNC(=O)C[NH2+]CCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001130648141 776522870 /nfs/dbraw/zinc/52/28/70/776522870.db2.gz IBZIWSILSVWPSM-UHFFFAOYSA-N 2 2 307.354 -1.195 20 30 DAEDLP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132079727 776603815 /nfs/dbraw/zinc/60/38/15/776603815.db2.gz JVSBVVOOOYQMLH-UHFFFAOYSA-N 2 2 322.369 -1.009 20 30 DAEDLP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134406854 776702133 /nfs/dbraw/zinc/70/21/33/776702133.db2.gz FCHQBRYSXUFZEF-UHFFFAOYSA-N 2 2 308.342 -1.330 20 30 DAEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153500531 779704966 /nfs/dbraw/zinc/70/49/66/779704966.db2.gz NVYLJRCWBNEHAK-NSHDSACASA-N 2 2 322.369 -1.011 20 30 DAEDLP CC(C)C[C@H](NC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1)C(=O)NO ZINC001157303724 779750597 /nfs/dbraw/zinc/75/05/97/779750597.db2.gz LQZWHKILTBTGCO-NEPJUHHUSA-N 2 2 315.418 -1.227 20 30 DAEDLP CC(C)C[C@H](NC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1)C(=O)NO ZINC001157303725 779751315 /nfs/dbraw/zinc/75/13/15/779751315.db2.gz LQZWHKILTBTGCO-RYUDHWBXSA-N 2 2 315.418 -1.227 20 30 DAEDLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H](C[NH2+]CC(=O)NCC#N)C2CC2)C1 ZINC001276564183 779935116 /nfs/dbraw/zinc/93/51/16/779935116.db2.gz VTIZRDTXADGCJT-CHWSQXEVSA-N 2 2 323.397 -1.559 20 30 DAEDLP C[N@H+]1CCO[C@@H](C(=O)N[C@H](C[NH2+]CC(=O)NCC#N)C2CC2)C1 ZINC001276564183 779935119 /nfs/dbraw/zinc/93/51/19/779935119.db2.gz VTIZRDTXADGCJT-CHWSQXEVSA-N 2 2 323.397 -1.559 20 30 DAEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220238171 780194362 /nfs/dbraw/zinc/19/43/62/780194362.db2.gz OMGYMCOASPLDMQ-MJBXVCDLSA-N 2 2 324.425 -1.373 20 30 DAEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220238171 780194367 /nfs/dbraw/zinc/19/43/67/780194367.db2.gz OMGYMCOASPLDMQ-MJBXVCDLSA-N 2 2 324.425 -1.373 20 30 DAEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273276 780198632 /nfs/dbraw/zinc/19/86/32/780198632.db2.gz GCGLZYUYFLXLEA-UPJWGTAASA-N 2 2 310.398 -1.763 20 30 DAEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273276 780198636 /nfs/dbraw/zinc/19/86/36/780198636.db2.gz GCGLZYUYFLXLEA-UPJWGTAASA-N 2 2 310.398 -1.763 20 30 DAEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001220584609 780232171 /nfs/dbraw/zinc/23/21/71/780232171.db2.gz DVISVCVRPZDVAA-MJBXVCDLSA-N 2 2 324.425 -1.373 20 30 DAEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001220584609 780232174 /nfs/dbraw/zinc/23/21/74/780232174.db2.gz DVISVCVRPZDVAA-MJBXVCDLSA-N 2 2 324.425 -1.373 20 30 DAEDLP N#Cc1ccccc1C[C@H]([NH3+])C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001221264914 780287523 /nfs/dbraw/zinc/28/75/23/780287523.db2.gz CJGJUMVWLWFWFW-CRWXNKLISA-N 2 2 315.381 -2.053 20 30 DAEDLP N#Cc1ccccc1C[C@H]([NH3+])C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001221264916 780289074 /nfs/dbraw/zinc/28/90/74/780289074.db2.gz CJGJUMVWLWFWFW-XDQVBPFNSA-N 2 2 315.381 -2.053 20 30 DAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]Cc1cnnn1C ZINC001278093436 780427197 /nfs/dbraw/zinc/42/71/97/780427197.db2.gz KRJCQPVFTUHLEQ-OCCSQVGLSA-N 2 2 320.397 -1.521 20 30 DAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]Cc1cnnn1C ZINC001278093436 780427203 /nfs/dbraw/zinc/42/72/03/780427203.db2.gz KRJCQPVFTUHLEQ-OCCSQVGLSA-N 2 2 320.397 -1.521 20 30 DAEDLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N ZINC001278106371 780428756 /nfs/dbraw/zinc/42/87/56/780428756.db2.gz XWJPIJXWLZUPOQ-RYUDHWBXSA-N 2 2 311.386 -1.823 20 30 DAEDLP C=CCOC[C@@H](O)C[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246057572 780449251 /nfs/dbraw/zinc/44/92/51/780449251.db2.gz ZVMQUACAGVQJMV-ZDUSSCGKSA-N 3 2 302.419 -1.334 20 30 DAEDLP C=CCOC[C@@H](O)C[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246057572 780449253 /nfs/dbraw/zinc/44/92/53/780449253.db2.gz ZVMQUACAGVQJMV-ZDUSSCGKSA-N 3 2 302.419 -1.334 20 30 DAEDLP C#CCOC[C@@H](O)C[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246050953 780449427 /nfs/dbraw/zinc/44/94/27/780449427.db2.gz GMGVITDHTLAPAN-ZDUSSCGKSA-N 3 2 300.403 -1.887 20 30 DAEDLP C#CCOC[C@@H](O)C[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246050953 780449431 /nfs/dbraw/zinc/44/94/31/780449431.db2.gz GMGVITDHTLAPAN-ZDUSSCGKSA-N 3 2 300.403 -1.887 20 30 DAEDLP C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001178414486 781645984 /nfs/dbraw/zinc/64/59/84/781645984.db2.gz KCTKBRDONBQORC-RWMBFGLXSA-N 2 2 323.397 -1.464 20 30 DAEDLP C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001178414486 781645989 /nfs/dbraw/zinc/64/59/89/781645989.db2.gz KCTKBRDONBQORC-RWMBFGLXSA-N 2 2 323.397 -1.464 20 30 DAEDLP N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001316991816 916256137 /nfs/dbraw/zinc/25/61/37/916256137.db2.gz LKXHXEZRRPFACU-LBPRGKRZSA-N 2 2 305.382 -1.088 20 30 DAEDLP N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001316991816 916256155 /nfs/dbraw/zinc/25/61/55/916256155.db2.gz LKXHXEZRRPFACU-LBPRGKRZSA-N 2 2 305.382 -1.088 20 30 DAEDLP N#CCNC(=O)C[N@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001325780035 916863187 /nfs/dbraw/zinc/86/31/87/916863187.db2.gz YJMBPGUSJDKUBY-BETUJISGSA-N 2 2 316.365 -1.087 20 30 DAEDLP N#CCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001325780035 916863199 /nfs/dbraw/zinc/86/31/99/916863199.db2.gz YJMBPGUSJDKUBY-BETUJISGSA-N 2 2 316.365 -1.087 20 30 DAEDLP C#CCNC(=O)CC[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001356610601 918232216 /nfs/dbraw/zinc/23/22/16/918232216.db2.gz SXUFESDIQDASBZ-AWEZNQCLSA-N 2 2 322.409 -1.351 20 30 DAEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430648390 373252847 /nfs/dbraw/zinc/25/28/47/373252847.db2.gz QYZVVJAMHSUULJ-NSHDSACASA-N 2 2 311.386 -1.250 20 30 DAEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430648390 373252854 /nfs/dbraw/zinc/25/28/54/373252854.db2.gz QYZVVJAMHSUULJ-NSHDSACASA-N 2 2 311.386 -1.250 20 30 DAEDLP C#CCNc1nc(NCC[NH+](C)C)nc(NCC[NH+](C)C)[nH+]1 ZINC000491125991 373430844 /nfs/dbraw/zinc/43/08/44/373430844.db2.gz JMGGDEZKRSJWGO-UHFFFAOYSA-N 3 2 306.418 -1.871 20 30 DAEDLP C#CCNC(=O)C[NH+]1CCN(C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000491631272 373434726 /nfs/dbraw/zinc/43/47/26/373434726.db2.gz NWZWKFNLZQPWQM-OAHLLOKOSA-N 2 2 308.426 -1.192 20 30 DAEDLP C#CCNC(=O)C[NH+]1CCN(C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000491631272 373434734 /nfs/dbraw/zinc/43/47/34/373434734.db2.gz NWZWKFNLZQPWQM-OAHLLOKOSA-N 2 2 308.426 -1.192 20 30 DAEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000577508149 373577104 /nfs/dbraw/zinc/57/71/04/373577104.db2.gz GATSFFZZKAFOMX-HBNTYKKESA-N 2 2 309.370 -1.370 20 30 DAEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000577508149 373577112 /nfs/dbraw/zinc/57/71/12/373577112.db2.gz GATSFFZZKAFOMX-HBNTYKKESA-N 2 2 309.370 -1.370 20 30 DAEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000577508145 373577371 /nfs/dbraw/zinc/57/73/71/373577371.db2.gz GATSFFZZKAFOMX-DCAQKATOSA-N 2 2 309.370 -1.370 20 30 DAEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000577508145 373577382 /nfs/dbraw/zinc/57/73/82/373577382.db2.gz GATSFFZZKAFOMX-DCAQKATOSA-N 2 2 309.370 -1.370 20 30 DAEDLP C=CCNC(=O)CN1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653107418 409328874 /nfs/dbraw/zinc/32/88/74/409328874.db2.gz ILHNUWORVYBCNP-CYBMUJFWSA-N 2 2 311.430 -1.288 20 30 DAEDLP 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C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC000978282521 662611986 /nfs/dbraw/zinc/61/19/86/662611986.db2.gz NUDLGBZXANFOAX-FQUUOJAGSA-N 2 2 304.394 -1.137 20 30 DAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC000978282521 662611988 /nfs/dbraw/zinc/61/19/88/662611988.db2.gz NUDLGBZXANFOAX-FQUUOJAGSA-N 2 2 304.394 -1.137 20 30 DAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC000978282521 662611989 /nfs/dbraw/zinc/61/19/89/662611989.db2.gz NUDLGBZXANFOAX-FQUUOJAGSA-N 2 2 304.394 -1.137 20 30 DAEDLP C#CCNC(=O)C[N@H+]1CCCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000858408128 663910019 /nfs/dbraw/zinc/91/00/19/663910019.db2.gz MRIFULDTVBFKBO-UHFFFAOYSA-N 2 2 304.358 -1.703 20 30 DAEDLP C#CCNC(=O)C[N@@H+]1CCCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000858408128 663910021 /nfs/dbraw/zinc/91/00/21/663910021.db2.gz MRIFULDTVBFKBO-UHFFFAOYSA-N 2 2 304.358 -1.703 20 30 DAEDLP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 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/nfs/dbraw/zinc/56/41/49/678564149.db2.gz PMXWMHGZCULJGZ-MJBXVCDLSA-N 2 2 304.394 -1.041 20 30 DAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(N)=O)C[C@@H]2C1 ZINC001048868873 678564150 /nfs/dbraw/zinc/56/41/50/678564150.db2.gz PMXWMHGZCULJGZ-MJBXVCDLSA-N 2 2 304.394 -1.041 20 30 DAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(N)=O)C[C@@H]2C1 ZINC001048868873 678564152 /nfs/dbraw/zinc/56/41/52/678564152.db2.gz PMXWMHGZCULJGZ-MJBXVCDLSA-N 2 2 304.394 -1.041 20 30 DAEDLP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c[nH+]cc1C ZINC001114562244 782362452 /nfs/dbraw/zinc/36/24/52/782362452.db2.gz CEXAZFKIZUEYGD-VIKVFOODSA-N 2 2 315.377 -1.013 20 30 DAEDLP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c[nH+]cc1C ZINC001114562244 782362463 /nfs/dbraw/zinc/36/24/63/782362463.db2.gz CEXAZFKIZUEYGD-VIKVFOODSA-N 2 2 315.377 -1.013 20 30 DAEDLP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986999 782524562 /nfs/dbraw/zinc/52/45/62/782524562.db2.gz SANQZEICWXBGST-STQMWFEESA-N 2 2 312.414 -1.208 20 30 DAEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986999 782524571 /nfs/dbraw/zinc/52/45/71/782524571.db2.gz SANQZEICWXBGST-STQMWFEESA-N 2 2 312.414 -1.208 20 30 DAEDLP C#CCNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)[C@H](O)C1 ZINC001100082811 782547278 /nfs/dbraw/zinc/54/72/78/782547278.db2.gz ILKXJOJAPIKXHK-ZIAGYGMSSA-N 2 2 324.425 -1.371 20 30 DAEDLP C#CCNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCC)[C@H](O)C1 ZINC001100082811 782547286 /nfs/dbraw/zinc/54/72/86/782547286.db2.gz ILKXJOJAPIKXHK-ZIAGYGMSSA-N 2 2 324.425 -1.371 20 30 DAEDLP C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)[C@H](O)C1 ZINC001100082811 782547290 /nfs/dbraw/zinc/54/72/90/782547290.db2.gz ILKXJOJAPIKXHK-ZIAGYGMSSA-N 2 2 324.425 -1.371 20 30 DAEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)[C@H](O)C1 ZINC001100082811 782547302 /nfs/dbraw/zinc/54/73/02/782547302.db2.gz ILKXJOJAPIKXHK-ZIAGYGMSSA-N 2 2 324.425 -1.371 20 30 DAEDLP C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001268308210 775363403 /nfs/dbraw/zinc/36/34/03/775363403.db2.gz KTSPLXDUQVSGBL-QJPTWQEYSA-N 2 2 319.365 -1.671 20 30 DAEDLP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001268324425 775370931 /nfs/dbraw/zinc/37/09/31/775370931.db2.gz NXCPNYYBDWIGFJ-ZYHUDNBSSA-N 2 2 307.354 -1.843 20 30 DAEDLP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001268333206 775375894 /nfs/dbraw/zinc/37/58/94/775375894.db2.gz RLFIGVUIVZRCEH-NEPJUHHUSA-N 2 2 321.381 -1.535 20 30 DAEDLP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001268333209 775376250 /nfs/dbraw/zinc/37/62/50/775376250.db2.gz RLFIGVUIVZRCEH-VXGBXAGGSA-N 2 2 321.381 -1.535 20 30 DAEDLP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099986957 776216930 /nfs/dbraw/zinc/21/69/30/776216930.db2.gz RQWJCNCQWXAJHH-NWDGAFQWSA-N 2 2 311.386 -1.871 20 30 DAEDLP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099986957 776216932 /nfs/dbraw/zinc/21/69/32/776216932.db2.gz RQWJCNCQWXAJHH-NWDGAFQWSA-N 2 2 311.386 -1.871 20 30 DAEDLP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)[C@H](O)C1 ZINC001100065095 776255319 /nfs/dbraw/zinc/25/53/19/776255319.db2.gz XGFUTQDJUNWBSB-UONOGXRCSA-N 2 2 324.425 -1.371 20 30 DAEDLP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)[C@H](O)C1 ZINC001100065095 776255322 /nfs/dbraw/zinc/25/53/22/776255322.db2.gz XGFUTQDJUNWBSB-UONOGXRCSA-N 2 2 324.425 -1.371 20 30 DAEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@H](O)C1 ZINC001100065095 776255328 /nfs/dbraw/zinc/25/53/28/776255328.db2.gz XGFUTQDJUNWBSB-UONOGXRCSA-N 2 2 324.425 -1.371 20 30 DAEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@H](O)C1 ZINC001100065095 776255332 /nfs/dbraw/zinc/25/53/32/776255332.db2.gz XGFUTQDJUNWBSB-UONOGXRCSA-N 2 2 324.425 -1.371 20 30 DAEDLP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001130404725 776508486 /nfs/dbraw/zinc/50/84/86/776508486.db2.gz NVMDEYVLWSFCBD-LBPRGKRZSA-N 2 2 303.366 -1.099 20 30 DAEDLP N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001130481271 776512925 /nfs/dbraw/zinc/51/29/25/776512925.db2.gz OFYZEXTZQJWODB-NSHDSACASA-N 2 2 304.354 -1.209 20 30 DAEDLP N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001130484808 776513347 /nfs/dbraw/zinc/51/33/47/776513347.db2.gz WFBYTIBAMRTYDD-NSHDSACASA-N 2 2 304.354 -1.209 20 30 DAEDLP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130488707 776515411 /nfs/dbraw/zinc/51/54/11/776515411.db2.gz UZRKSAXGRNYPLB-GFCCVEGCSA-N 2 2 303.366 -1.099 20 30 DAEDLP C[NH+](C)Cc1cc(C(=O)NCC[NH2+]CC(=O)NCC#N)no1 ZINC001130653514 776524244 /nfs/dbraw/zinc/52/42/44/776524244.db2.gz OCLBLPJIHCOBBM-UHFFFAOYSA-N 2 2 308.342 -1.305 20 30 DAEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001134049855 776689358 /nfs/dbraw/zinc/68/93/58/776689358.db2.gz RMWOJSAGBUXXNW-GHMZBOCLSA-N 2 2 304.354 -1.131 20 30 DAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1nnnn1C ZINC001160198200 779803964 /nfs/dbraw/zinc/80/39/64/779803964.db2.gz WSBIPSNVRVOLAI-LBPRGKRZSA-N 2 2 305.386 -1.096 20 30 DAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1nnnn1C ZINC001160198200 779803970 /nfs/dbraw/zinc/80/39/70/779803970.db2.gz WSBIPSNVRVOLAI-LBPRGKRZSA-N 2 2 305.386 -1.096 20 30 DAEDLP N=C(c1nonc1N)N(O)C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218516721 780030508 /nfs/dbraw/zinc/03/05/08/780030508.db2.gz DHBBDUXYQXKLJJ-SSDOTTSWSA-N 2 2 312.334 -2.055 20 30 DAEDLP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001219411223 780092806 /nfs/dbraw/zinc/09/28/06/780092806.db2.gz ANBRLPAYCJICQT-HZSPNIEDSA-N 2 2 313.398 -1.319 20 30 DAEDLP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001219411223 780092814 /nfs/dbraw/zinc/09/28/14/780092814.db2.gz ANBRLPAYCJICQT-HZSPNIEDSA-N 2 2 313.398 -1.319 20 30 DAEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001219411223 780092817 /nfs/dbraw/zinc/09/28/17/780092817.db2.gz 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DAEDLP C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001284460743 780819708 /nfs/dbraw/zinc/81/97/08/780819708.db2.gz USQSGDLVQADNSV-NSHDSACASA-N 2 2 307.354 -1.890 20 30 DAEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)CC1 ZINC001090829871 781352036 /nfs/dbraw/zinc/35/20/36/781352036.db2.gz HAVNJONLPPBDOP-KBPBESRZSA-N 2 2 322.409 -1.632 20 30 DAEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)CC1 ZINC001090829871 781352043 /nfs/dbraw/zinc/35/20/43/781352043.db2.gz HAVNJONLPPBDOP-KBPBESRZSA-N 2 2 322.409 -1.632 20 30 DAEDLP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147871841 781458796 /nfs/dbraw/zinc/45/87/96/781458796.db2.gz OIBSJGPWONAVNG-UHFFFAOYSA-N 2 2 322.369 -1.320 20 30 DAEDLP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001181821965 781694196 /nfs/dbraw/zinc/69/41/96/781694196.db2.gz KXYAZCCMMZWPQY-OLZOCXBDSA-N 2 2 308.382 -1.743 20 30 DAEDLP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001181821965 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324.425 -1.371 20 30 DAEDLP N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001130405099 776508431 /nfs/dbraw/zinc/50/84/31/776508431.db2.gz XAXHQKBBMFVZHG-NSHDSACASA-N 2 2 304.354 -1.209 20 30 DAEDLP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001130481599 776512992 /nfs/dbraw/zinc/51/29/92/776512992.db2.gz XGKTYVBBQOBKAY-LBPRGKRZSA-N 2 2 303.366 -1.099 20 30 DAEDLP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001130477663 776513764 /nfs/dbraw/zinc/51/37/64/776513764.db2.gz HINOXSHBFQVXCV-GFCCVEGCSA-N 2 2 303.366 -1.099 20 30 DAEDLP C#CC[NH2+]CC(=O)N1CC[NH2+]CCN(C(=O)C[NH2+]CC#C)CC1 ZINC001122181694 779557196 /nfs/dbraw/zinc/55/71/96/779557196.db2.gz JXGHPTCIVYVTJE-UHFFFAOYSA-N 3 2 319.409 -2.308 20 30 DAEDLP N#Cc1nccnc1N1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CC1 ZINC001160637496 779814143 /nfs/dbraw/zinc/81/41/43/779814143.db2.gz QNKBVNHPLIUGFO-MNOVXSKESA-N 2 2 301.354 -1.314 20 30 DAEDLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001217001408 780016312 /nfs/dbraw/zinc/01/63/12/780016312.db2.gz UFJYVLSCBDRILU-VXGBXAGGSA-N 2 2 304.354 -1.041 20 30 DAEDLP N=C(c1nonc1N)N(O)C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218516744 780031411 /nfs/dbraw/zinc/03/14/11/780031411.db2.gz DHBBDUXYQXKLJJ-ZETCQYMHSA-N 2 2 312.334 -2.055 20 30 DAEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273959 780198905 /nfs/dbraw/zinc/19/89/05/780198905.db2.gz XVGSHQJRPKXNKA-XQQFMLRXSA-N 2 2 312.414 -1.210 20 30 DAEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273959 780198908 /nfs/dbraw/zinc/19/89/08/780198908.db2.gz XVGSHQJRPKXNKA-XQQFMLRXSA-N 2 2 312.414 -1.210 20 30 DAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1cnnn1C ZINC001278093435 780426977 /nfs/dbraw/zinc/42/69/77/780426977.db2.gz KRJCQPVFTUHLEQ-JSGCOSHPSA-N 2 2 320.397 -1.521 20 30 DAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1cnnn1C ZINC001278093435 780426980 /nfs/dbraw/zinc/42/69/80/780426980.db2.gz KRJCQPVFTUHLEQ-JSGCOSHPSA-N 2 2 320.397 -1.521 20 30 DAEDLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N ZINC001278106369 780429473 /nfs/dbraw/zinc/42/94/73/780429473.db2.gz XWJPIJXWLZUPOQ-NEPJUHHUSA-N 2 2 311.386 -1.823 20 30 DAEDLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N ZINC001278106370 780429512 /nfs/dbraw/zinc/42/95/12/780429512.db2.gz XWJPIJXWLZUPOQ-NWDGAFQWSA-N 2 2 311.386 -1.823 20 30 DAEDLP C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001278139911 780430225 /nfs/dbraw/zinc/43/02/25/780430225.db2.gz WQQQQZBVYWOHNJ-STQMWFEESA-N 2 2 312.414 -1.160 20 30 DAEDLP C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001278139911 780430231 /nfs/dbraw/zinc/43/02/31/780430231.db2.gz WQQQQZBVYWOHNJ-STQMWFEESA-N 2 2 312.414 -1.160 20 30 DAEDLP C#CCNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001278212540 780436905 /nfs/dbraw/zinc/43/69/05/780436905.db2.gz KBTRUSOOBQJNQH-VXGBXAGGSA-N 2 2 307.354 -1.912 20 30 DAEDLP C#CCNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001278212539 780436928 /nfs/dbraw/zinc/43/69/28/780436928.db2.gz KBTRUSOOBQJNQH-RYUDHWBXSA-N 2 2 307.354 -1.912 20 30 DAEDLP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001278809252 780490509 /nfs/dbraw/zinc/49/05/09/780490509.db2.gz FPNMHJYVVXPYSG-DGCLKSJQSA-N 2 2 321.381 -1.501 20 30 DAEDLP C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001278826906 780493621 /nfs/dbraw/zinc/49/36/21/780493621.db2.gz JTJHFFHIUYLCQD-GFCCVEGCSA-N 2 2 321.381 -1.581 20 30 DAEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)CC1 ZINC001090829873 781352925 /nfs/dbraw/zinc/35/29/25/781352925.db2.gz HAVNJONLPPBDOP-UONOGXRCSA-N 2 2 322.409 -1.632 20 30 DAEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)CC1 ZINC001090829873 781352927 /nfs/dbraw/zinc/35/29/27/781352927.db2.gz HAVNJONLPPBDOP-UONOGXRCSA-N 2 2 322.409 -1.632 20 30 DAEDLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001181822696 781694608 /nfs/dbraw/zinc/69/46/08/781694608.db2.gz UCSUOGHCTCXCRN-VXGBXAGGSA-N 2 2 309.370 -1.853 20 30 DAEDLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001181822696 781694611 /nfs/dbraw/zinc/69/46/11/781694611.db2.gz UCSUOGHCTCXCRN-VXGBXAGGSA-N 2 2 309.370 -1.853 20 30 DAEDLP C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)Cc1c[nH+]cn1C ZINC001321336894 916567676 /nfs/dbraw/zinc/56/76/76/916567676.db2.gz NESZVDZVFZRPIN-PLNGDYQASA-N 2 2 303.366 -1.026 20 30 DAEDLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[NH+](CC(=O)NCC#N)C1 ZINC001325069648 916806275 /nfs/dbraw/zinc/80/62/75/916806275.db2.gz HLKRTDCDXUULNG-DOMZBBRYSA-N 2 2 323.397 -1.727 20 30 DAEDLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[NH+](CC(=O)NCC#N)C1 ZINC001325069648 916806294 /nfs/dbraw/zinc/80/62/94/916806294.db2.gz HLKRTDCDXUULNG-DOMZBBRYSA-N 2 2 323.397 -1.727 20 30 DAEDLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NCC#N)C1 ZINC001325069648 916806311 /nfs/dbraw/zinc/80/63/11/916806311.db2.gz HLKRTDCDXUULNG-DOMZBBRYSA-N 2 2 323.397 -1.727 20 30 DAEDLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NCC#N)C1 ZINC001325069648 916806324 /nfs/dbraw/zinc/80/63/24/916806324.db2.gz HLKRTDCDXUULNG-DOMZBBRYSA-N 2 2 323.397 -1.727 20 30 DAEDLP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001192011223 781939216 /nfs/dbraw/zinc/93/92/16/781939216.db2.gz ANBRLPAYCJICQT-MGPQQGTHSA-N 2 2 313.398 -1.319 20 30 DAEDLP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001192011223 781939228 /nfs/dbraw/zinc/93/92/28/781939228.db2.gz ANBRLPAYCJICQT-MGPQQGTHSA-N 2 2 313.398 -1.319 20 30 DAEDLP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001192011223 781939234 /nfs/dbraw/zinc/93/92/34/781939234.db2.gz ANBRLPAYCJICQT-MGPQQGTHSA-N 2 2 313.398 -1.319 20 30 DAEDLP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001192011223 781939242 /nfs/dbraw/zinc/93/92/42/781939242.db2.gz ANBRLPAYCJICQT-MGPQQGTHSA-N 2 2 313.398 -1.319 20 30 DAEDLP C#CC[NH+](C)CC(=O)N1CCN(C(=O)C[N@H+](C)CC#C)CC1 ZINC000009460508 373267669 /nfs/dbraw/zinc/26/76/69/373267669.db2.gz AZHLMIWOEYICBK-UHFFFAOYSA-N 2 2 304.394 -1.213 20 30 DAEDLP C#CC[NH+](C)CC(=O)N1CCN(C(=O)C[N@@H+](C)CC#C)CC1 ZINC000009460508 373267678 /nfs/dbraw/zinc/26/76/78/373267678.db2.gz AZHLMIWOEYICBK-UHFFFAOYSA-N 2 2 304.394 -1.213 20 30 DAEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362828998 373290726 /nfs/dbraw/zinc/29/07/26/373290726.db2.gz VNFNBLGWEFNIBY-LBPRGKRZSA-N 2 2 323.397 -1.106 20 30 DAEDLP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362828998 373290738 /nfs/dbraw/zinc/29/07/38/373290738.db2.gz VNFNBLGWEFNIBY-LBPRGKRZSA-N 2 2 323.397 -1.106 20 30 DAEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000577508134 373576187 /nfs/dbraw/zinc/57/61/87/373576187.db2.gz GATSFFZZKAFOMX-AXFHLTTASA-N 2 2 309.370 -1.370 20 30 DAEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000577508134 373576191 /nfs/dbraw/zinc/57/61/91/373576191.db2.gz GATSFFZZKAFOMX-AXFHLTTASA-N 2 2 309.370 -1.370 20 30 DAEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195872346 782087029 /nfs/dbraw/zinc/08/70/29/782087029.db2.gz XVGSHQJRPKXNKA-YNEHKIRRSA-N 2 2 312.414 -1.210 20 30 DAEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195872346 782087035 /nfs/dbraw/zinc/08/70/35/782087035.db2.gz XVGSHQJRPKXNKA-YNEHKIRRSA-N 2 2 312.414 -1.210 20 30 DAEDLP COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197825990 782142372 /nfs/dbraw/zinc/14/23/72/782142372.db2.gz KOVCFIYKJDAYDG-ZIAGYGMSSA-N 2 2 313.398 -1.624 20 30 DAEDLP COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197825990 782142377 /nfs/dbraw/zinc/14/23/77/782142377.db2.gz KOVCFIYKJDAYDG-ZIAGYGMSSA-N 2 2 313.398 -1.624 20 30 DAEDLP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001198047331 782147638 /nfs/dbraw/zinc/14/76/38/782147638.db2.gz KKSRMBAQNYJSHD-BFHYXJOUSA-N 2 2 324.425 -1.373 20 30 DAEDLP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001198047331 782147639 /nfs/dbraw/zinc/14/76/39/782147639.db2.gz KKSRMBAQNYJSHD-BFHYXJOUSA-N 2 2 324.425 -1.373 20 30 DAEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001198047331 782147642 /nfs/dbraw/zinc/14/76/42/782147642.db2.gz KKSRMBAQNYJSHD-BFHYXJOUSA-N 2 2 324.425 -1.373 20 30 DAEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001198047331 782147646 /nfs/dbraw/zinc/14/76/46/782147646.db2.gz KKSRMBAQNYJSHD-BFHYXJOUSA-N 2 2 324.425 -1.373 20 30 DAEDLP C#CC[N@@H+](C[C@H](O)[C@H](C)O)C1CC[NH+](C[C@@H](O)[C@@H](C)O)CC1 ZINC000931592618 663994273 /nfs/dbraw/zinc/99/42/73/663994273.db2.gz VIXUNAUVGXJDJW-CLWVCHIJSA-N 2 2 314.426 -1.131 20 30 DAEDLP C#CC[N@H+](C[C@H](O)[C@H](C)O)C1CC[NH+](C[C@@H](O)[C@@H](C)O)CC1 ZINC000931592618 663994274 /nfs/dbraw/zinc/99/42/74/663994274.db2.gz VIXUNAUVGXJDJW-CLWVCHIJSA-N 2 2 314.426 -1.131 20 30 DAEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654629 677817862 /nfs/dbraw/zinc/81/78/62/677817862.db2.gz XTODWKZZOVAARU-NHGZVPIDSA-N 2 2 305.378 -1.356 20 30 DAEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654629 677817864 /nfs/dbraw/zinc/81/78/64/677817864.db2.gz XTODWKZZOVAARU-NHGZVPIDSA-N 2 2 305.378 -1.356 20 30 DAEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654629 677817866 /nfs/dbraw/zinc/81/78/66/677817866.db2.gz XTODWKZZOVAARU-NHGZVPIDSA-N 2 2 305.378 -1.356 20 30 DAEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986393 782524931 /nfs/dbraw/zinc/52/49/31/782524931.db2.gz KDYOOLXJBASKJJ-OLZOCXBDSA-N 2 2 310.398 -1.761 20 30 DAEDLP C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986393 782524922 /nfs/dbraw/zinc/52/49/22/782524922.db2.gz KDYOOLXJBASKJJ-OLZOCXBDSA-N 2 2 310.398 -1.761 20 30 DAEDLP C#CCNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)[C@@H](O)C1 ZINC001100082809 782547411 /nfs/dbraw/zinc/54/74/11/782547411.db2.gz ILKXJOJAPIKXHK-KGLIPLIRSA-N 2 2 324.425 -1.371 20 30 DAEDLP C#CCNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCC)[C@@H](O)C1 ZINC001100082809 782547418 /nfs/dbraw/zinc/54/74/18/782547418.db2.gz ILKXJOJAPIKXHK-KGLIPLIRSA-N 2 2 324.425 -1.371 20 30 DAEDLP C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001100082809 782547425 /nfs/dbraw/zinc/54/74/25/782547425.db2.gz ILKXJOJAPIKXHK-KGLIPLIRSA-N 2 2 324.425 -1.371 20 30 DAEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001100082809 782547429 /nfs/dbraw/zinc/54/74/29/782547429.db2.gz ILKXJOJAPIKXHK-KGLIPLIRSA-N 2 2 324.425 -1.371 20 30 DAEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001100110042 782554590 /nfs/dbraw/zinc/55/45/90/782554590.db2.gz ONYWPCOTEFRAMH-UONOGXRCSA-N 2 2 324.425 -1.064 20 30 DAEDLP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001100110042 782554595 /nfs/dbraw/zinc/55/45/95/782554595.db2.gz ONYWPCOTEFRAMH-UONOGXRCSA-N 2 2 324.425 -1.064 20 30 DAEDLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001266517455 775148055 /nfs/dbraw/zinc/14/80/55/775148055.db2.gz UCSUOGHCTCXCRN-RYUDHWBXSA-N 2 2 309.370 -1.853 20 30 DAEDLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001266517455 775148062 /nfs/dbraw/zinc/14/80/62/775148062.db2.gz UCSUOGHCTCXCRN-RYUDHWBXSA-N 2 2 309.370 -1.853 20 30 DAEDLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001266517453 775148481 /nfs/dbraw/zinc/14/84/81/775148481.db2.gz UCSUOGHCTCXCRN-NWDGAFQWSA-N 2 2 309.370 -1.853 20 30 DAEDLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001266517453 775148486 /nfs/dbraw/zinc/14/84/86/775148486.db2.gz UCSUOGHCTCXCRN-NWDGAFQWSA-N 2 2 309.370 -1.853 20 30 DAEDLP C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001268308205 775362597 /nfs/dbraw/zinc/36/25/97/775362597.db2.gz KTSPLXDUQVSGBL-IJLUTSLNSA-N 2 2 319.365 -1.671 20 30 DAEDLP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001268324409 775369855 /nfs/dbraw/zinc/36/98/55/775369855.db2.gz NXCPNYYBDWIGFJ-CMPLNLGQSA-N 2 2 307.354 -1.843 20 30 DAEDLP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001268333207 775376854 /nfs/dbraw/zinc/37/68/54/775376854.db2.gz RLFIGVUIVZRCEH-NWDGAFQWSA-N 2 2 321.381 -1.535 20 30 DAEDLP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099986958 776217445 /nfs/dbraw/zinc/21/74/45/776217445.db2.gz RQWJCNCQWXAJHH-RYUDHWBXSA-N 2 2 311.386 -1.871 20 30 DAEDLP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099986958 776217454 /nfs/dbraw/zinc/21/74/54/776217454.db2.gz RQWJCNCQWXAJHH-RYUDHWBXSA-N 2 2 311.386 -1.871 20 30 DAEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001100109287 776271466 /nfs/dbraw/zinc/27/14/66/776271466.db2.gz CBVVSTXUAYZNJG-ZIAGYGMSSA-N 2 2 322.409 -1.617 20 30 DAEDLP C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001100109287 776271470 /nfs/dbraw/zinc/27/14/70/776271470.db2.gz CBVVSTXUAYZNJG-ZIAGYGMSSA-N 2 2 322.409 -1.617 20 30 DAEDLP N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130405098 776508574 /nfs/dbraw/zinc/50/85/74/776508574.db2.gz XAXHQKBBMFVZHG-LLVKDONJSA-N 2 2 304.354 -1.209 20 30 DAEDLP N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001130477677 776512483 /nfs/dbraw/zinc/51/24/83/776512483.db2.gz HQIFWSURQZIZJQ-LLVKDONJSA-N 2 2 304.354 -1.209 20 30 DAEDLP N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001130477678 776512522 /nfs/dbraw/zinc/51/25/22/776512522.db2.gz HQIFWSURQZIZJQ-NSHDSACASA-N 2 2 304.354 -1.209 20 30 DAEDLP C#CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150224065 779650636 /nfs/dbraw/zinc/65/06/36/779650636.db2.gz HIVUETFKIUPQLK-CQSZACIVSA-N 2 2 324.425 -1.105 20 30 DAEDLP C#CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150224065 779650638 /nfs/dbraw/zinc/65/06/38/779650638.db2.gz HIVUETFKIUPQLK-CQSZACIVSA-N 2 2 324.425 -1.105 20 30 DAEDLP C#CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150224057 779651156 /nfs/dbraw/zinc/65/11/56/779651156.db2.gz HIVUETFKIUPQLK-AWEZNQCLSA-N 2 2 324.425 -1.105 20 30 DAEDLP C#CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150224057 779651159 /nfs/dbraw/zinc/65/11/59/779651159.db2.gz HIVUETFKIUPQLK-AWEZNQCLSA-N 2 2 324.425 -1.105 20 30 DAEDLP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2nnnn2C)CC1 ZINC001152334562 779690201 /nfs/dbraw/zinc/69/02/01/779690201.db2.gz HPFXZTWTNGQZKS-UHFFFAOYSA-N 2 2 305.386 -1.239 20 30 DAEDLP N#Cc1nccnc1N1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CC1 ZINC001160635799 779813155 /nfs/dbraw/zinc/81/31/55/779813155.db2.gz DCEMMSYFUKNKBU-QWRGUYRKSA-N 2 2 301.354 -1.456 20 30 DAEDLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H](C[NH2+]CC(=O)NCC#N)C2CC2)C1 ZINC001276564188 779934838 /nfs/dbraw/zinc/93/48/38/779934838.db2.gz VTIZRDTXADGCJT-STQMWFEESA-N 2 2 323.397 -1.559 20 30 DAEDLP C[N@H+]1CCO[C@H](C(=O)N[C@@H](C[NH2+]CC(=O)NCC#N)C2CC2)C1 ZINC001276564188 779934844 /nfs/dbraw/zinc/93/48/44/779934844.db2.gz VTIZRDTXADGCJT-STQMWFEESA-N 2 2 323.397 -1.559 20 30 DAEDLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C[NH2+]CC(=O)NCC#N)C2CC2)C1 ZINC001276564187 779935237 /nfs/dbraw/zinc/93/52/37/779935237.db2.gz VTIZRDTXADGCJT-QWHCGFSZSA-N 2 2 323.397 -1.559 20 30 DAEDLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H](C[NH2+]CC(=O)NCC#N)C2CC2)C1 ZINC001276564187 779935242 /nfs/dbraw/zinc/93/52/42/779935242.db2.gz VTIZRDTXADGCJT-QWHCGFSZSA-N 2 2 323.397 -1.559 20 30 DAEDLP C#CCNC(=O)C[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@H](OC)C1 ZINC001213675833 779982806 /nfs/dbraw/zinc/98/28/06/779982806.db2.gz BJEJFVFOSUMFCD-ZIAGYGMSSA-N 2 2 324.425 -1.107 20 30 DAEDLP C#CCNC(=O)C[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@H](OC)C1 ZINC001213675833 779982810 /nfs/dbraw/zinc/98/28/10/779982810.db2.gz BJEJFVFOSUMFCD-ZIAGYGMSSA-N 2 2 324.425 -1.107 20 30 DAEDLP C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@H](OC)C1 ZINC001213675833 779982814 /nfs/dbraw/zinc/98/28/14/779982814.db2.gz BJEJFVFOSUMFCD-ZIAGYGMSSA-N 2 2 324.425 -1.107 20 30 DAEDLP C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@H](OC)C1 ZINC001213675833 779982817 /nfs/dbraw/zinc/98/28/17/779982817.db2.gz BJEJFVFOSUMFCD-ZIAGYGMSSA-N 2 2 324.425 -1.107 20 30 DAEDLP N#Cc1c(N)nc(=NC2CC2)n(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c1N ZINC001218596465 780035275 /nfs/dbraw/zinc/03/52/75/780035275.db2.gz INGOKZVPDBOCML-MUWHJKNJSA-N 2 2 302.342 -1.688 20 30 DAEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273957 780198072 /nfs/dbraw/zinc/19/80/72/780198072.db2.gz XVGSHQJRPKXNKA-UPJWGTAASA-N 2 2 312.414 -1.210 20 30 DAEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273957 780198077 /nfs/dbraw/zinc/19/80/77/780198077.db2.gz XVGSHQJRPKXNKA-UPJWGTAASA-N 2 2 312.414 -1.210 20 30 DAEDLP N#Cc1ccccc1C[C@H]([NH3+])C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001221264917 780288611 /nfs/dbraw/zinc/28/86/11/780288611.db2.gz CJGJUMVWLWFWFW-XUXIUFHCSA-N 2 2 315.381 -2.053 20 30 DAEDLP C#CCNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001278212538 780436793 /nfs/dbraw/zinc/43/67/93/780436793.db2.gz KBTRUSOOBQJNQH-NWDGAFQWSA-N 2 2 307.354 -1.912 20 30 DAEDLP C=CCNC(=O)C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001278767204 780484073 /nfs/dbraw/zinc/48/40/73/780484073.db2.gz QHIBYWNXIKUQHK-XJKSGUPXSA-N 2 2 324.425 -1.064 20 30 DAEDLP C=CCNC(=O)C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001278767204 780484074 /nfs/dbraw/zinc/48/40/74/780484074.db2.gz QHIBYWNXIKUQHK-XJKSGUPXSA-N 2 2 324.425 -1.064 20 30 DAEDLP C=CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001278767204 780484078 /nfs/dbraw/zinc/48/40/78/780484078.db2.gz QHIBYWNXIKUQHK-XJKSGUPXSA-N 2 2 324.425 -1.064 20 30 DAEDLP C=CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001278767204 780484082 /nfs/dbraw/zinc/48/40/82/780484082.db2.gz QHIBYWNXIKUQHK-XJKSGUPXSA-N 2 2 324.425 -1.064 20 30 DAEDLP C#CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001278820613 780492398 /nfs/dbraw/zinc/49/23/98/780492398.db2.gz DAFTWLJHQUVZFX-MRXNPFEDSA-N 2 2 322.409 -1.615 20 30 DAEDLP C#CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001278820613 780492400 /nfs/dbraw/zinc/49/24/00/780492400.db2.gz DAFTWLJHQUVZFX-MRXNPFEDSA-N 2 2 322.409 -1.615 20 30 DAEDLP C#CCNC(=O)C[N@H+](C)CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001264974185 780588525 /nfs/dbraw/zinc/58/85/25/780588525.db2.gz SEJFFGKPUAMXQL-CYBMUJFWSA-N 2 2 310.398 -1.496 20 30 DAEDLP C#CCNC(=O)C[N@@H+](C)CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001264974185 780588527 /nfs/dbraw/zinc/58/85/27/780588527.db2.gz SEJFFGKPUAMXQL-CYBMUJFWSA-N 2 2 310.398 -1.496 20 30 DAEDLP C#CCNC(=O)C[NH+](C)CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001264974185 780588533 /nfs/dbraw/zinc/58/85/33/780588533.db2.gz SEJFFGKPUAMXQL-CYBMUJFWSA-N 2 2 310.398 -1.496 20 30 DAEDLP C#CCNC(=O)C[NH+](C)CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001264974185 780588537 /nfs/dbraw/zinc/58/85/37/780588537.db2.gz SEJFFGKPUAMXQL-CYBMUJFWSA-N 2 2 310.398 -1.496 20 30 DAEDLP C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001284460741 780819519 /nfs/dbraw/zinc/81/95/19/780819519.db2.gz USQSGDLVQADNSV-LLVKDONJSA-N 2 2 307.354 -1.890 20 30 DAEDLP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001178414983 781646283 /nfs/dbraw/zinc/64/62/83/781646283.db2.gz XLKCHBQETAFQJH-IHRRRGAJSA-N 2 2 322.409 -1.355 20 30 DAEDLP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001178414983 781646287 /nfs/dbraw/zinc/64/62/87/781646287.db2.gz XLKCHBQETAFQJH-IHRRRGAJSA-N 2 2 322.409 -1.355 20 30 DAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cnnn1C ZINC001320234751 916485194 /nfs/dbraw/zinc/48/51/94/916485194.db2.gz MTLNXEDSOUWIOA-KBPBESRZSA-N 2 2 320.397 -1.521 20 30 DAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cnnn1C ZINC001320234751 916485200 /nfs/dbraw/zinc/48/52/00/916485200.db2.gz MTLNXEDSOUWIOA-KBPBESRZSA-N 2 2 320.397 -1.521 20 30 DAEDLP Cc1c[nH+]cn1CC(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N ZINC001331760075 917331654 /nfs/dbraw/zinc/33/16/54/917331654.db2.gz SHUIFCFSWKEFSD-LLVKDONJSA-N 2 2 308.342 -2.102 20 30 DAEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)CC1 ZINC000491242986 373434543 /nfs/dbraw/zinc/43/45/43/373434543.db2.gz TZSYAOXSSKKDMX-INIZCTEOSA-N 2 2 304.394 -1.024 20 30 DAEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@]3(CNC(=O)C3)C2)CC1 ZINC000491242986 373434551 /nfs/dbraw/zinc/43/45/51/373434551.db2.gz TZSYAOXSSKKDMX-INIZCTEOSA-N 2 2 304.394 -1.024 20 30 DAEDLP C#CCNC(=O)C[NH+]1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000491631259 373434901 /nfs/dbraw/zinc/43/49/01/373434901.db2.gz NWZWKFNLZQPWQM-HNNXBMFYSA-N 2 2 308.426 -1.192 20 30 DAEDLP C#CCNC(=O)C[NH+]1CCN(C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000491631259 373434906 /nfs/dbraw/zinc/43/49/06/373434906.db2.gz NWZWKFNLZQPWQM-HNNXBMFYSA-N 2 2 308.426 -1.192 20 30 DAEDLP C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001195860552 782085723 /nfs/dbraw/zinc/08/57/23/782085723.db2.gz ZDOLEIQVSOLCLF-MGPQQGTHSA-N 2 2 324.425 -1.114 20 30 DAEDLP C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001195860552 782085732 /nfs/dbraw/zinc/08/57/32/782085732.db2.gz ZDOLEIQVSOLCLF-MGPQQGTHSA-N 2 2 324.425 -1.114 20 30 DAEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430648387 338110343 /nfs/dbraw/zinc/11/03/43/338110343.db2.gz QYZVVJAMHSUULJ-LLVKDONJSA-N 2 2 311.386 -1.250 20 30 DAEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430648387 338110344 /nfs/dbraw/zinc/11/03/44/338110344.db2.gz QYZVVJAMHSUULJ-LLVKDONJSA-N 2 2 311.386 -1.250 20 30 DAEDLP C#CC[N@@H+](C[C@H](O)[C@H](C)O)C1CC[NH+](C[C@H](O)[C@H](C)O)CC1 ZINC000931592619 663993883 /nfs/dbraw/zinc/99/38/83/663993883.db2.gz VIXUNAUVGXJDJW-SDADXPQNSA-N 2 2 314.426 -1.131 20 30 DAEDLP C#CC[N@H+](C[C@H](O)[C@H](C)O)C1CC[NH+](C[C@H](O)[C@H](C)O)CC1 ZINC000931592619 663993884 /nfs/dbraw/zinc/99/38/84/663993884.db2.gz VIXUNAUVGXJDJW-SDADXPQNSA-N 2 2 314.426 -1.131 20 30 DAEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001077418713 677804870 /nfs/dbraw/zinc/80/48/70/677804870.db2.gz XTODWKZZOVAARU-NTTUHNMPSA-N 2 2 305.378 -1.356 20 30 DAEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001077418713 677804875 /nfs/dbraw/zinc/80/48/75/677804875.db2.gz XTODWKZZOVAARU-NTTUHNMPSA-N 2 2 305.378 -1.356 20 30 DAEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001077418713 677804879 /nfs/dbraw/zinc/80/48/79/677804879.db2.gz XTODWKZZOVAARU-NTTUHNMPSA-N 2 2 305.378 -1.356 20 30 DAEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001077418713 677804884 /nfs/dbraw/zinc/80/48/84/677804884.db2.gz XTODWKZZOVAARU-NTTUHNMPSA-N 2 2 305.378 -1.356 20 30 DAEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](C[C@@H](C)O)C[C@@H]1O ZINC001047415062 678516850 /nfs/dbraw/zinc/51/68/50/678516850.db2.gz FGHKEHVFPPQULO-QPSCCSFWSA-N 2 2 309.410 -1.032 20 30 DAEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](C[C@@H](C)O)C[C@@H]1O ZINC001047415062 678516852 /nfs/dbraw/zinc/51/68/52/678516852.db2.gz FGHKEHVFPPQULO-QPSCCSFWSA-N 2 2 309.410 -1.032 20 30 DAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](C[C@@H](C)O)C[C@@H]1O ZINC001047415062 678516856 /nfs/dbraw/zinc/51/68/56/678516856.db2.gz FGHKEHVFPPQULO-QPSCCSFWSA-N 2 2 309.410 -1.032 20 30 DAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](C[C@@H](C)O)C[C@@H]1O ZINC001047415062 678516859 /nfs/dbraw/zinc/51/68/59/678516859.db2.gz FGHKEHVFPPQULO-QPSCCSFWSA-N 2 2 309.410 -1.032 20 30 DAEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](C[C@H](C)O)C[C@@H]1O ZINC001047415061 678517371 /nfs/dbraw/zinc/51/73/71/678517371.db2.gz FGHKEHVFPPQULO-AJNGGQMLSA-N 2 2 309.410 -1.032 20 30 DAEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](C[C@H](C)O)C[C@@H]1O ZINC001047415061 678517375 /nfs/dbraw/zinc/51/73/75/678517375.db2.gz FGHKEHVFPPQULO-AJNGGQMLSA-N 2 2 309.410 -1.032 20 30 DAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](C[C@H](C)O)C[C@@H]1O ZINC001047415061 678517376 /nfs/dbraw/zinc/51/73/76/678517376.db2.gz FGHKEHVFPPQULO-AJNGGQMLSA-N 2 2 309.410 -1.032 20 30 DAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](C[C@H](C)O)C[C@@H]1O ZINC001047415061 678517380 /nfs/dbraw/zinc/51/73/80/678517380.db2.gz FGHKEHVFPPQULO-AJNGGQMLSA-N 2 2 309.410 -1.032 20 30 DAEDLP N#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC001115241407 782246164 /nfs/dbraw/zinc/24/61/64/782246164.db2.gz HJYNCSCCELEGDY-JYAVWHMHSA-N 2 2 305.382 -1.232 20 30 DAEDLP N#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC001115241407 782246178 /nfs/dbraw/zinc/24/61/78/782246178.db2.gz HJYNCSCCELEGDY-JYAVWHMHSA-N 2 2 305.382 -1.232 20 30 DAEDLP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)[C@@H](O)C1 ZINC001100082808 782546444 /nfs/dbraw/zinc/54/64/44/782546444.db2.gz ILKXJOJAPIKXHK-KBPBESRZSA-N 2 2 324.425 -1.371 20 30 DAEDLP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCC)[C@@H](O)C1 ZINC001100082808 782546450 /nfs/dbraw/zinc/54/64/50/782546450.db2.gz ILKXJOJAPIKXHK-KBPBESRZSA-N 2 2 324.425 -1.371 20 30 DAEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001100082808 782546457 /nfs/dbraw/zinc/54/64/57/782546457.db2.gz ILKXJOJAPIKXHK-KBPBESRZSA-N 2 2 324.425 -1.371 20 30 DAEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001100082808 782546462 /nfs/dbraw/zinc/54/64/62/782546462.db2.gz ILKXJOJAPIKXHK-KBPBESRZSA-N 2 2 324.425 -1.371 20 30 DAEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001100110041 782553702 /nfs/dbraw/zinc/55/37/02/782553702.db2.gz ONYWPCOTEFRAMH-KGLIPLIRSA-N 2 2 324.425 -1.064 20 30 DAEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001100110041 782553714 /nfs/dbraw/zinc/55/37/14/782553714.db2.gz ONYWPCOTEFRAMH-KGLIPLIRSA-N 2 2 324.425 -1.064 20 30 DAEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001100110043 782554728 /nfs/dbraw/zinc/55/47/28/782554728.db2.gz ONYWPCOTEFRAMH-ZIAGYGMSSA-N 2 2 324.425 -1.064 20 30 DAEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001100110043 782554721 /nfs/dbraw/zinc/55/47/21/782554721.db2.gz ONYWPCOTEFRAMH-ZIAGYGMSSA-N 2 2 324.425 -1.064 20 30 DAEDLP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC001115342194 782652413 /nfs/dbraw/zinc/65/24/13/782652413.db2.gz SKUIGIFWILVZSX-JYAVWHMHSA-N 2 2 301.350 -1.321 20 30 DAEDLP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC001115342194 782652416 /nfs/dbraw/zinc/65/24/16/782652416.db2.gz SKUIGIFWILVZSX-JYAVWHMHSA-N 2 2 301.350 -1.321 20 30 DAEDLP N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001267750671 775276033 /nfs/dbraw/zinc/27/60/33/775276033.db2.gz LKXHXEZRRPFACU-GFCCVEGCSA-N 2 2 305.382 -1.088 20 30 DAEDLP N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001267750671 775276038 /nfs/dbraw/zinc/27/60/38/775276038.db2.gz LKXHXEZRRPFACU-GFCCVEGCSA-N 2 2 305.382 -1.088 20 30 DAEDLP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001268324413 775369771 /nfs/dbraw/zinc/36/97/71/775369771.db2.gz NXCPNYYBDWIGFJ-PWSUYJOCSA-N 2 2 307.354 -1.843 20 30 DAEDLP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001268339210 775376418 /nfs/dbraw/zinc/37/64/18/775376418.db2.gz SDBHVPCLPPURNK-NWDGAFQWSA-N 2 2 307.354 -1.912 20 30 DAEDLP C#CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001268750506 775420868 /nfs/dbraw/zinc/42/08/68/775420868.db2.gz MCIGJBGOSIPKRE-CQSZACIVSA-N 2 2 324.425 -1.105 20 30 DAEDLP C#CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001268750506 775420873 /nfs/dbraw/zinc/42/08/73/775420873.db2.gz MCIGJBGOSIPKRE-CQSZACIVSA-N 2 2 324.425 -1.105 20 30 DAEDLP C#CCNC(=O)C[NH+]1CC(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001268910679 775429805 /nfs/dbraw/zinc/42/98/05/775429805.db2.gz AZOOHQYCWHOJAX-UHFFFAOYSA-N 2 2 303.366 -1.011 20 30 DAEDLP C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)CC[NH+]1CCOCC1 ZINC001272131984 775640402 /nfs/dbraw/zinc/64/04/02/775640402.db2.gz UDDGVGKSUZZXRN-UHFFFAOYSA-N 2 2 324.425 -1.152 20 30 DAEDLP C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)CC[NH+]1CCOCC1 ZINC001272131984 775640407 /nfs/dbraw/zinc/64/04/07/775640407.db2.gz UDDGVGKSUZZXRN-UHFFFAOYSA-N 2 2 324.425 -1.152 20 30 DAEDLP C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099973512 776207344 /nfs/dbraw/zinc/20/73/44/776207344.db2.gz FAHIXGDOQQXRSB-ZIAGYGMSSA-N 2 2 324.425 -1.371 20 30 DAEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099973512 776207353 /nfs/dbraw/zinc/20/73/53/776207353.db2.gz FAHIXGDOQQXRSB-ZIAGYGMSSA-N 2 2 324.425 -1.371 20 30 DAEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099973509 776207792 /nfs/dbraw/zinc/20/77/92/776207792.db2.gz FAHIXGDOQQXRSB-KBPBESRZSA-N 2 2 324.425 -1.371 20 30 DAEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099973509 776207795 /nfs/dbraw/zinc/20/77/95/776207795.db2.gz FAHIXGDOQQXRSB-KBPBESRZSA-N 2 2 324.425 -1.371 20 30 DAEDLP C#CCNC(=O)C[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)[C@H](O)C1 ZINC001100065096 776257146 /nfs/dbraw/zinc/25/71/46/776257146.db2.gz XGFUTQDJUNWBSB-ZIAGYGMSSA-N 2 2 324.425 -1.371 20 30 DAEDLP C#CCNC(=O)C[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CC)[C@H](O)C1 ZINC001100065096 776257153 /nfs/dbraw/zinc/25/71/53/776257153.db2.gz XGFUTQDJUNWBSB-ZIAGYGMSSA-N 2 2 324.425 -1.371 20 30 DAEDLP C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)[C@H](O)C1 ZINC001100065096 776257162 /nfs/dbraw/zinc/25/71/62/776257162.db2.gz XGFUTQDJUNWBSB-ZIAGYGMSSA-N 2 2 324.425 -1.371 20 30 DAEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)[C@H](O)C1 ZINC001100065096 776257167 /nfs/dbraw/zinc/25/71/67/776257167.db2.gz XGFUTQDJUNWBSB-ZIAGYGMSSA-N 2 2 324.425 -1.371 20 30 DAEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001100109284 776271368 /nfs/dbraw/zinc/27/13/68/776271368.db2.gz CBVVSTXUAYZNJG-KBPBESRZSA-N 2 2 322.409 -1.617 20 30 DAEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001100109284 776271374 /nfs/dbraw/zinc/27/13/74/776271374.db2.gz CBVVSTXUAYZNJG-KBPBESRZSA-N 2 2 322.409 -1.617 20 30 DAEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001100109286 776271652 /nfs/dbraw/zinc/27/16/52/776271652.db2.gz CBVVSTXUAYZNJG-UONOGXRCSA-N 2 2 322.409 -1.617 20 30 DAEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001100109286 776271657 /nfs/dbraw/zinc/27/16/57/776271657.db2.gz CBVVSTXUAYZNJG-UONOGXRCSA-N 2 2 322.409 -1.617 20 30 DAEDLP C#CC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129385485 776329512 /nfs/dbraw/zinc/32/95/12/776329512.db2.gz NWUFOFOWSQYDIB-KGLIPLIRSA-N 2 2 320.397 -1.169 20 30 DAEDLP C#CC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129385485 776329518 /nfs/dbraw/zinc/32/95/18/776329518.db2.gz NWUFOFOWSQYDIB-KGLIPLIRSA-N 2 2 320.397 -1.169 20 30 DAEDLP C=CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001114093249 776449166 /nfs/dbraw/zinc/44/91/66/776449166.db2.gz LNYJBJXBEIGZJG-COMQUAJESA-N 2 2 322.409 -1.334 20 30 DAEDLP C=CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001114093249 776449169 /nfs/dbraw/zinc/44/91/69/776449169.db2.gz LNYJBJXBEIGZJG-COMQUAJESA-N 2 2 322.409 -1.334 20 30 DAEDLP C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001114093249 776449175 /nfs/dbraw/zinc/44/91/75/776449175.db2.gz LNYJBJXBEIGZJG-COMQUAJESA-N 2 2 322.409 -1.334 20 30 DAEDLP C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001114093249 776449181 /nfs/dbraw/zinc/44/91/81/776449181.db2.gz LNYJBJXBEIGZJG-COMQUAJESA-N 2 2 322.409 -1.334 20 30 DAEDLP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1COCC[N@H+]1CCCC ZINC001131822708 776592342 /nfs/dbraw/zinc/59/23/42/776592342.db2.gz SOFRQWNBBMFNBS-CQSZACIVSA-N 2 2 324.425 -1.058 20 30 DAEDLP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1COCC[N@@H+]1CCCC ZINC001131822708 776592347 /nfs/dbraw/zinc/59/23/47/776592347.db2.gz SOFRQWNBBMFNBS-CQSZACIVSA-N 2 2 324.425 -1.058 20 30 DAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001160197877 779803215 /nfs/dbraw/zinc/80/32/15/779803215.db2.gz LLVSTCBYNOGAET-LBPRGKRZSA-N 2 2 305.386 -1.096 20 30 DAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001160197877 779803227 /nfs/dbraw/zinc/80/32/27/779803227.db2.gz LLVSTCBYNOGAET-LBPRGKRZSA-N 2 2 305.386 -1.096 20 30 DAEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213374795 779977220 /nfs/dbraw/zinc/97/72/20/779977220.db2.gz XXCZSINRIYTGSD-MGPQQGTHSA-N 2 2 324.425 -1.109 20 30 DAEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213374795 779977224 /nfs/dbraw/zinc/97/72/24/779977224.db2.gz XXCZSINRIYTGSD-MGPQQGTHSA-N 2 2 324.425 -1.109 20 30 DAEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273279 780198812 /nfs/dbraw/zinc/19/88/12/780198812.db2.gz GCGLZYUYFLXLEA-XQQFMLRXSA-N 2 2 310.398 -1.763 20 30 DAEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273279 780198815 /nfs/dbraw/zinc/19/88/15/780198815.db2.gz GCGLZYUYFLXLEA-XQQFMLRXSA-N 2 2 310.398 -1.763 20 30 DAEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001220771468 780247269 /nfs/dbraw/zinc/24/72/69/780247269.db2.gz VJBIXOVRDHMBBF-KGLIPLIRSA-N 2 2 307.394 -1.107 20 30 DAEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001220771468 780247275 /nfs/dbraw/zinc/24/72/75/780247275.db2.gz VJBIXOVRDHMBBF-KGLIPLIRSA-N 2 2 307.394 -1.107 20 30 DAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCC1 ZINC001278093293 780427043 /nfs/dbraw/zinc/42/70/43/780427043.db2.gz HZZXQRPDTWKABF-KBPBESRZSA-N 2 2 322.409 -1.617 20 30 DAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCC1 ZINC001278093293 780427048 /nfs/dbraw/zinc/42/70/48/780427048.db2.gz HZZXQRPDTWKABF-KBPBESRZSA-N 2 2 322.409 -1.617 20 30 DAEDLP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001278809253 780490890 /nfs/dbraw/zinc/49/08/90/780490890.db2.gz FPNMHJYVVXPYSG-WCQYABFASA-N 2 2 321.381 -1.501 20 30 DAEDLP N#CCNC(=O)C[N@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001279396779 780621821 /nfs/dbraw/zinc/62/18/21/780621821.db2.gz ZKGDBQKBNUVTGT-TXEJJXNPSA-N 2 2 316.365 -1.018 20 30 DAEDLP N#CCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001279396779 780621825 /nfs/dbraw/zinc/62/18/25/780621825.db2.gz ZKGDBQKBNUVTGT-TXEJJXNPSA-N 2 2 316.365 -1.018 20 30 DAEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)CC1 ZINC001090829874 781353397 /nfs/dbraw/zinc/35/33/97/781353397.db2.gz HAVNJONLPPBDOP-ZIAGYGMSSA-N 2 2 322.409 -1.632 20 30 DAEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)CC1 ZINC001090829874 781353404 /nfs/dbraw/zinc/35/34/04/781353404.db2.gz HAVNJONLPPBDOP-ZIAGYGMSSA-N 2 2 322.409 -1.632 20 30 DAEDLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001181822695 781694826 /nfs/dbraw/zinc/69/48/26/781694826.db2.gz UCSUOGHCTCXCRN-NEPJUHHUSA-N 2 2 309.370 -1.853 20 30 DAEDLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001181822695 781694832 /nfs/dbraw/zinc/69/48/32/781694832.db2.gz UCSUOGHCTCXCRN-NEPJUHHUSA-N 2 2 309.370 -1.853 20 30 DAEDLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[NH+](CC(=O)NCC#N)C1 ZINC001325069650 916807589 /nfs/dbraw/zinc/80/75/89/916807589.db2.gz HLKRTDCDXUULNG-SWLSCSKDSA-N 2 2 323.397 -1.727 20 30 DAEDLP C[N@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[NH+](CC(=O)NCC#N)C1 ZINC001325069650 916807609 /nfs/dbraw/zinc/80/76/09/916807609.db2.gz HLKRTDCDXUULNG-SWLSCSKDSA-N 2 2 323.397 -1.727 20 30 DAEDLP C[NH+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@H+](CC(=O)NCC#N)C1 ZINC001325069650 916807625 /nfs/dbraw/zinc/80/76/25/916807625.db2.gz HLKRTDCDXUULNG-SWLSCSKDSA-N 2 2 323.397 -1.727 20 30 DAEDLP C[NH+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NCC#N)C1 ZINC001325069650 916807639 /nfs/dbraw/zinc/80/76/39/916807639.db2.gz HLKRTDCDXUULNG-SWLSCSKDSA-N 2 2 323.397 -1.727 20 30 DAEDLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CC[NH+](CC(=O)NCC#N)C1 ZINC001325069649 916808481 /nfs/dbraw/zinc/80/84/81/916808481.db2.gz HLKRTDCDXUULNG-IUODEOHRSA-N 2 2 323.397 -1.727 20 30 DAEDLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CC[NH+](CC(=O)NCC#N)C1 ZINC001325069649 916808507 /nfs/dbraw/zinc/80/85/07/916808507.db2.gz HLKRTDCDXUULNG-IUODEOHRSA-N 2 2 323.397 -1.727 20 30 DAEDLP C[NH+]1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@H+](CC(=O)NCC#N)C1 ZINC001325069649 916808528 /nfs/dbraw/zinc/80/85/28/916808528.db2.gz HLKRTDCDXUULNG-IUODEOHRSA-N 2 2 323.397 -1.727 20 30 DAEDLP C[NH+]1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NCC#N)C1 ZINC001325069649 916808550 /nfs/dbraw/zinc/80/85/50/916808550.db2.gz HLKRTDCDXUULNG-IUODEOHRSA-N 2 2 323.397 -1.727 20 30 DAEDLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](CC(=O)NCC#N)C1 ZINC001325069651 916810205 /nfs/dbraw/zinc/81/02/05/916810205.db2.gz HLKRTDCDXUULNG-WFASDCNBSA-N 2 2 323.397 -1.727 20 30 DAEDLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](CC(=O)NCC#N)C1 ZINC001325069651 916810216 /nfs/dbraw/zinc/81/02/16/916810216.db2.gz HLKRTDCDXUULNG-WFASDCNBSA-N 2 2 323.397 -1.727 20 30 DAEDLP C[NH+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NCC#N)C1 ZINC001325069651 916810232 /nfs/dbraw/zinc/81/02/32/916810232.db2.gz HLKRTDCDXUULNG-WFASDCNBSA-N 2 2 323.397 -1.727 20 30 DAEDLP C[NH+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NCC#N)C1 ZINC001325069651 916810248 /nfs/dbraw/zinc/81/02/48/916810248.db2.gz HLKRTDCDXUULNG-WFASDCNBSA-N 2 2 323.397 -1.727 20 30 DAEDLP NC(=O)N[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@@H](NC(N)=O)C2)C1 ZINC000341911935 373244306 /nfs/dbraw/zinc/24/43/06/373244306.db2.gz RFLITWKSBHXIPI-VXGBXAGGSA-N 2 2 308.386 -1.525 20 30 DAEDLP NC(=O)N[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@@H](NC(N)=O)C2)C1 ZINC000341911935 373244315 /nfs/dbraw/zinc/24/43/15/373244315.db2.gz RFLITWKSBHXIPI-VXGBXAGGSA-N 2 2 308.386 -1.525 20 30 DAEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CCNC(=O)N(C)C)CC1 ZINC000491096746 373432254 /nfs/dbraw/zinc/43/22/54/373432254.db2.gz WCFDLMGVYMINHB-UHFFFAOYSA-N 2 2 309.414 -1.033 20 30 DAEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CCNC(=O)N(C)C)CC1 ZINC000491096746 373432260 /nfs/dbraw/zinc/43/22/60/373432260.db2.gz WCFDLMGVYMINHB-UHFFFAOYSA-N 2 2 309.414 -1.033 20 30 DAEDLP OC[C@H]1CC[N@@H+](CC#CC[NH+]2CC[C@@H](CO)[C@@H](O)C2)C[C@@H]1O ZINC000568558316 373544892 /nfs/dbraw/zinc/54/48/92/373544892.db2.gz VESGYULXGKKDJY-FZKCQIBNSA-N 2 2 312.410 -1.660 20 30 DAEDLP OC[C@H]1CC[NH+](CC#CC[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)C[C@@H]1O ZINC000568558316 373544897 /nfs/dbraw/zinc/54/48/97/373544897.db2.gz VESGYULXGKKDJY-FZKCQIBNSA-N 2 2 312.410 -1.660 20 30 DAEDLP OC[C@H]1CC[NH+](CC#CC[N@H+]2CC[C@@H](CO)[C@@H](O)C2)C[C@@H]1O ZINC000568558316 373544902 /nfs/dbraw/zinc/54/49/02/373544902.db2.gz VESGYULXGKKDJY-FZKCQIBNSA-N 2 2 312.410 -1.660 20 30 DAEDLP OC[C@H]1CC[N@@H+](CC#CC[NH+]2CC[C@@H](CO)[C@H](O)C2)C[C@@H]1O ZINC000568558319 373545778 /nfs/dbraw/zinc/54/57/78/373545778.db2.gz VESGYULXGKKDJY-SYMSYNOKSA-N 2 2 312.410 -1.660 20 30 DAEDLP OC[C@H]1CC[NH+](CC#CC[N@@H+]2CC[C@@H](CO)[C@H](O)C2)C[C@@H]1O ZINC000568558319 373545788 /nfs/dbraw/zinc/54/57/88/373545788.db2.gz VESGYULXGKKDJY-SYMSYNOKSA-N 2 2 312.410 -1.660 20 30 DAEDLP OC[C@H]1CC[NH+](CC#CC[N@H+]2CC[C@@H](CO)[C@H](O)C2)C[C@@H]1O ZINC000568558319 373545797 /nfs/dbraw/zinc/54/57/97/373545797.db2.gz VESGYULXGKKDJY-SYMSYNOKSA-N 2 2 312.410 -1.660 20 30 DAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941440261 663394673 /nfs/dbraw/zinc/39/46/73/663394673.db2.gz GTVQMQDKJZDTDS-INIZCTEOSA-N 2 2 320.437 -1.095 20 30 DAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941440261 663394677 /nfs/dbraw/zinc/39/46/77/663394677.db2.gz GTVQMQDKJZDTDS-INIZCTEOSA-N 2 2 320.437 -1.095 20 30 DAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC000968952394 664488579 /nfs/dbraw/zinc/48/85/79/664488579.db2.gz JTFGWXJNQGVYDU-OLZOCXBDSA-N 2 2 317.397 -1.002 20 30 DAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC000968952394 664488581 /nfs/dbraw/zinc/48/85/81/664488581.db2.gz JTFGWXJNQGVYDU-OLZOCXBDSA-N 2 2 317.397 -1.002 20 30 DAEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654628 677817793 /nfs/dbraw/zinc/81/77/93/677817793.db2.gz XTODWKZZOVAARU-MXIHSMQYSA-N 2 2 305.378 -1.356 20 30 DAEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654628 677817796 /nfs/dbraw/zinc/81/77/96/677817796.db2.gz XTODWKZZOVAARU-MXIHSMQYSA-N 2 2 305.378 -1.356 20 30 DAEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654628 677817798 /nfs/dbraw/zinc/81/77/98/677817798.db2.gz XTODWKZZOVAARU-MXIHSMQYSA-N 2 2 305.378 -1.356 20 30 DAEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001070165240 678857559 /nfs/dbraw/zinc/85/75/59/678857559.db2.gz KDWBFIQGFJYSQO-RDBSUJKOSA-N 2 2 318.381 -1.417 20 30 DAEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001070165240 678857561 /nfs/dbraw/zinc/85/75/61/678857561.db2.gz KDWBFIQGFJYSQO-RDBSUJKOSA-N 2 2 318.381 -1.417 20 30 DAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1nnnn1C ZINC001274791831 782293805 /nfs/dbraw/zinc/29/38/05/782293805.db2.gz RUOQMECTCXGIKP-NEPJUHHUSA-N 2 2 305.386 -1.098 20 30 DAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1nnnn1C ZINC001274791831 782293809 /nfs/dbraw/zinc/29/38/09/782293809.db2.gz RUOQMECTCXGIKP-NEPJUHHUSA-N 2 2 305.386 -1.098 20 30 DAEDLP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099986956 782524949 /nfs/dbraw/zinc/52/49/49/782524949.db2.gz RQWJCNCQWXAJHH-NEPJUHHUSA-N 2 2 311.386 -1.871 20 30 DAEDLP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099986956 782524957 /nfs/dbraw/zinc/52/49/57/782524957.db2.gz RQWJCNCQWXAJHH-NEPJUHHUSA-N 2 2 311.386 -1.871 20 30 DAEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+](CC)CC)[C@H](O)C1 ZINC001100040907 782536310 /nfs/dbraw/zinc/53/63/10/782536310.db2.gz BNXQPBWWHXRKDG-UONOGXRCSA-N 2 2 324.425 -1.371 20 30 DAEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+](CC)CC)[C@H](O)C1 ZINC001100040907 782536320 /nfs/dbraw/zinc/53/63/20/782536320.db2.gz BNXQPBWWHXRKDG-UONOGXRCSA-N 2 2 324.425 -1.371 20 30 DAEDLP C#CCNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001100131680 782559751 /nfs/dbraw/zinc/55/97/51/782559751.db2.gz HFGIBOHCIAJXFK-KGLIPLIRSA-N 2 2 324.425 -1.373 20 30 DAEDLP C#CCNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001100131680 782559752 /nfs/dbraw/zinc/55/97/52/782559752.db2.gz HFGIBOHCIAJXFK-KGLIPLIRSA-N 2 2 324.425 -1.373 20 30 DAEDLP C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100131680 782559754 /nfs/dbraw/zinc/55/97/54/782559754.db2.gz HFGIBOHCIAJXFK-KGLIPLIRSA-N 2 2 324.425 -1.373 20 30 DAEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100131680 782559755 /nfs/dbraw/zinc/55/97/55/782559755.db2.gz HFGIBOHCIAJXFK-KGLIPLIRSA-N 2 2 324.425 -1.373 20 30 DAEDLP Cc1[nH+]ccn1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001115243123 782648593 /nfs/dbraw/zinc/64/85/93/782648593.db2.gz JEMONYPIDPLTPO-JYAVWHMHSA-N 2 2 316.365 -1.122 20 30 DAEDLP Cc1[nH+]ccn1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001115243123 782648597 /nfs/dbraw/zinc/64/85/97/782648597.db2.gz JEMONYPIDPLTPO-JYAVWHMHSA-N 2 2 316.365 -1.122 20 30 DAEDLP C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001268339214 775376312 /nfs/dbraw/zinc/37/63/12/775376312.db2.gz SDBHVPCLPPURNK-RYUDHWBXSA-N 2 2 307.354 -1.912 20 30 DAEDLP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001268339215 775379279 /nfs/dbraw/zinc/37/92/79/775379279.db2.gz SDBHVPCLPPURNK-VXGBXAGGSA-N 2 2 307.354 -1.912 20 30 DAEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099973511 776208309 /nfs/dbraw/zinc/20/83/09/776208309.db2.gz FAHIXGDOQQXRSB-UONOGXRCSA-N 2 2 324.425 -1.371 20 30 DAEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099973511 776208316 /nfs/dbraw/zinc/20/83/16/776208316.db2.gz FAHIXGDOQQXRSB-UONOGXRCSA-N 2 2 324.425 -1.371 20 30 DAEDLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21 ZINC001114058085 776444584 /nfs/dbraw/zinc/44/45/84/776444584.db2.gz QHHUDVDZOMJSRX-CZXHOFHRSA-N 2 2 305.382 -1.233 20 30 DAEDLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21 ZINC001114058085 776444587 /nfs/dbraw/zinc/44/45/87/776444587.db2.gz QHHUDVDZOMJSRX-CZXHOFHRSA-N 2 2 305.382 -1.233 20 30 DAEDLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001114058085 776444592 /nfs/dbraw/zinc/44/45/92/776444592.db2.gz QHHUDVDZOMJSRX-CZXHOFHRSA-N 2 2 305.382 -1.233 20 30 DAEDLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001114058085 776444596 /nfs/dbraw/zinc/44/45/96/776444596.db2.gz QHHUDVDZOMJSRX-CZXHOFHRSA-N 2 2 305.382 -1.233 20 30 DAEDLP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001114091393 776446654 /nfs/dbraw/zinc/44/66/54/776446654.db2.gz VZFWPQJCVOSOLT-COMQUAJESA-N 2 2 320.393 -1.887 20 30 DAEDLP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001114091393 776446659 /nfs/dbraw/zinc/44/66/59/776446659.db2.gz VZFWPQJCVOSOLT-COMQUAJESA-N 2 2 320.393 -1.887 20 30 DAEDLP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001114091393 776446664 /nfs/dbraw/zinc/44/66/64/776446664.db2.gz VZFWPQJCVOSOLT-COMQUAJESA-N 2 2 320.393 -1.887 20 30 DAEDLP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001114091393 776446666 /nfs/dbraw/zinc/44/66/66/776446666.db2.gz VZFWPQJCVOSOLT-COMQUAJESA-N 2 2 320.393 -1.887 20 30 DAEDLP C=CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001114093251 776449385 /nfs/dbraw/zinc/44/93/85/776449385.db2.gz LNYJBJXBEIGZJG-SFDCQRBFSA-N 2 2 322.409 -1.334 20 30 DAEDLP C=CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001114093251 776449391 /nfs/dbraw/zinc/44/93/91/776449391.db2.gz LNYJBJXBEIGZJG-SFDCQRBFSA-N 2 2 322.409 -1.334 20 30 DAEDLP C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001114093251 776449398 /nfs/dbraw/zinc/44/93/98/776449398.db2.gz LNYJBJXBEIGZJG-SFDCQRBFSA-N 2 2 322.409 -1.334 20 30 DAEDLP C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001114093251 776449406 /nfs/dbraw/zinc/44/94/06/776449406.db2.gz LNYJBJXBEIGZJG-SFDCQRBFSA-N 2 2 322.409 -1.334 20 30 DAEDLP N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130484807 776512854 /nfs/dbraw/zinc/51/28/54/776512854.db2.gz WFBYTIBAMRTYDD-LLVKDONJSA-N 2 2 304.354 -1.209 20 30 DAEDLP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1COCC[N@H+]1CCCC ZINC001131822705 776592640 /nfs/dbraw/zinc/59/26/40/776592640.db2.gz SOFRQWNBBMFNBS-AWEZNQCLSA-N 2 2 324.425 -1.058 20 30 DAEDLP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1COCC[N@@H+]1CCCC ZINC001131822705 776592647 /nfs/dbraw/zinc/59/26/47/776592647.db2.gz SOFRQWNBBMFNBS-AWEZNQCLSA-N 2 2 324.425 -1.058 20 30 DAEDLP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001134042960 776688179 /nfs/dbraw/zinc/68/81/79/776688179.db2.gz OJEPKIYBYMNOEQ-VXGBXAGGSA-N 2 2 303.366 -1.021 20 30 DAEDLP C#CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001152550753 779694292 /nfs/dbraw/zinc/69/42/92/779694292.db2.gz DQFNLHKUJFVAJS-KGLIPLIRSA-N 2 2 324.425 -1.107 20 30 DAEDLP C#CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001152550753 779694298 /nfs/dbraw/zinc/69/42/98/779694298.db2.gz DQFNLHKUJFVAJS-KGLIPLIRSA-N 2 2 324.425 -1.107 20 30 DAEDLP C#CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001152550753 779694301 /nfs/dbraw/zinc/69/43/01/779694301.db2.gz DQFNLHKUJFVAJS-KGLIPLIRSA-N 2 2 324.425 -1.107 20 30 DAEDLP C#CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001152550753 779694306 /nfs/dbraw/zinc/69/43/06/779694306.db2.gz DQFNLHKUJFVAJS-KGLIPLIRSA-N 2 2 324.425 -1.107 20 30 DAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001160198094 779802777 /nfs/dbraw/zinc/80/27/77/779802777.db2.gz REKDHJQHUVKXLJ-LBPRGKRZSA-N 2 2 320.397 -1.198 20 30 DAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001160198094 779802787 /nfs/dbraw/zinc/80/27/87/779802787.db2.gz REKDHJQHUVKXLJ-LBPRGKRZSA-N 2 2 320.397 -1.198 20 30 DAEDLP N#Cc1c(N)nc(=NC2CC2)n(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c1N ZINC001218596587 780035095 /nfs/dbraw/zinc/03/50/95/780035095.db2.gz BBIWAQRMUNMVPK-IUCAKERBSA-N 2 2 302.342 -1.831 20 30 DAEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)[C@@H](O)C1 ZINC001219800534 780147566 /nfs/dbraw/zinc/14/75/66/780147566.db2.gz QDWKZRJLXFXNFL-ILXRZTDVSA-N 2 2 319.409 -1.002 20 30 DAEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)[C@@H](O)C1 ZINC001219800534 780147574 /nfs/dbraw/zinc/14/75/74/780147574.db2.gz QDWKZRJLXFXNFL-ILXRZTDVSA-N 2 2 319.409 -1.002 20 30 DAEDLP C=C(C)C(=O)NCCCNC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220043119 780173188 /nfs/dbraw/zinc/17/31/88/780173188.db2.gz FYHACZPNRVENLE-ZDUSSCGKSA-N 2 2 311.430 -1.065 20 30 DAEDLP C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)C1=O ZINC001220277395 780198478 /nfs/dbraw/zinc/19/84/78/780198478.db2.gz ZDOLEIQVSOLCLF-MCIONIFRSA-N 2 2 324.425 -1.114 20 30 DAEDLP C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)C1=O ZINC001220277395 780198484 /nfs/dbraw/zinc/19/84/84/780198484.db2.gz ZDOLEIQVSOLCLF-MCIONIFRSA-N 2 2 324.425 -1.114 20 30 DAEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001220584608 780231786 /nfs/dbraw/zinc/23/17/86/780231786.db2.gz DVISVCVRPZDVAA-MCIONIFRSA-N 2 2 324.425 -1.373 20 30 DAEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001220584608 780231792 /nfs/dbraw/zinc/23/17/92/780231792.db2.gz DVISVCVRPZDVAA-MCIONIFRSA-N 2 2 324.425 -1.373 20 30 DAEDLP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001220689267 780241292 /nfs/dbraw/zinc/24/12/92/780241292.db2.gz CHXJFLYTDMNGQQ-MCIONIFRSA-N 2 2 324.425 -1.373 20 30 DAEDLP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001220689267 780241299 /nfs/dbraw/zinc/24/12/99/780241299.db2.gz CHXJFLYTDMNGQQ-MCIONIFRSA-N 2 2 324.425 -1.373 20 30 DAEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220689267 780241305 /nfs/dbraw/zinc/24/13/05/780241305.db2.gz CHXJFLYTDMNGQQ-MCIONIFRSA-N 2 2 324.425 -1.373 20 30 DAEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220689267 780241310 /nfs/dbraw/zinc/24/13/10/780241310.db2.gz CHXJFLYTDMNGQQ-MCIONIFRSA-N 2 2 324.425 -1.373 20 30 DAEDLP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)[C@@H](O)C1 ZINC001220830938 780250553 /nfs/dbraw/zinc/25/05/53/780250553.db2.gz KKSRMBAQNYJSHD-MJBXVCDLSA-N 2 2 324.425 -1.373 20 30 DAEDLP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)[C@@H](O)C1 ZINC001220830938 780250556 /nfs/dbraw/zinc/25/05/56/780250556.db2.gz KKSRMBAQNYJSHD-MJBXVCDLSA-N 2 2 324.425 -1.373 20 30 DAEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001220830938 780250566 /nfs/dbraw/zinc/25/05/66/780250566.db2.gz KKSRMBAQNYJSHD-MJBXVCDLSA-N 2 2 324.425 -1.373 20 30 DAEDLP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)[C@@H](O)C1 ZINC001220830937 780250608 /nfs/dbraw/zinc/25/06/08/780250608.db2.gz KKSRMBAQNYJSHD-MCIONIFRSA-N 2 2 324.425 -1.373 20 30 DAEDLP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)[C@@H](O)C1 ZINC001220830937 780250613 /nfs/dbraw/zinc/25/06/13/780250613.db2.gz KKSRMBAQNYJSHD-MCIONIFRSA-N 2 2 324.425 -1.373 20 30 DAEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001220830937 780250628 /nfs/dbraw/zinc/25/06/28/780250628.db2.gz KKSRMBAQNYJSHD-MCIONIFRSA-N 2 2 324.425 -1.373 20 30 DAEDLP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091727 780275400 /nfs/dbraw/zinc/27/54/00/780275400.db2.gz VTLYYYAMFPOIHP-MJBXVCDLSA-N 2 2 324.425 -1.374 20 30 DAEDLP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091727 780275404 /nfs/dbraw/zinc/27/54/04/780275404.db2.gz VTLYYYAMFPOIHP-MJBXVCDLSA-N 2 2 324.425 -1.374 20 30 DAEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221091727 780275412 /nfs/dbraw/zinc/27/54/12/780275412.db2.gz VTLYYYAMFPOIHP-MJBXVCDLSA-N 2 2 324.425 -1.374 20 30 DAEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221091727 780275419 /nfs/dbraw/zinc/27/54/19/780275419.db2.gz VTLYYYAMFPOIHP-MJBXVCDLSA-N 2 2 324.425 -1.374 20 30 DAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCC1 ZINC001278093295 780427063 /nfs/dbraw/zinc/42/70/63/780427063.db2.gz HZZXQRPDTWKABF-KGLIPLIRSA-N 2 2 322.409 -1.617 20 30 DAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCC1 ZINC001278093295 780427065 /nfs/dbraw/zinc/42/70/65/780427065.db2.gz HZZXQRPDTWKABF-KGLIPLIRSA-N 2 2 322.409 -1.617 20 30 DAEDLP C=CCOC[C@H](O)C[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246057568 780449358 /nfs/dbraw/zinc/44/93/58/780449358.db2.gz ZVMQUACAGVQJMV-CYBMUJFWSA-N 3 2 302.419 -1.334 20 30 DAEDLP C=CCOC[C@H](O)C[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246057568 780449362 /nfs/dbraw/zinc/44/93/62/780449362.db2.gz ZVMQUACAGVQJMV-CYBMUJFWSA-N 3 2 302.419 -1.334 20 30 DAEDLP C=CCNC(=O)C[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001278767200 780483996 /nfs/dbraw/zinc/48/39/96/780483996.db2.gz QHIBYWNXIKUQHK-CJNGLKHVSA-N 2 2 324.425 -1.064 20 30 DAEDLP C=CCNC(=O)C[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001278767200 780484002 /nfs/dbraw/zinc/48/40/02/780484002.db2.gz QHIBYWNXIKUQHK-CJNGLKHVSA-N 2 2 324.425 -1.064 20 30 DAEDLP C=CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001278767200 780484006 /nfs/dbraw/zinc/48/40/06/780484006.db2.gz QHIBYWNXIKUQHK-CJNGLKHVSA-N 2 2 324.425 -1.064 20 30 DAEDLP C=CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001278767200 780484012 /nfs/dbraw/zinc/48/40/12/780484012.db2.gz QHIBYWNXIKUQHK-CJNGLKHVSA-N 2 2 324.425 -1.064 20 30 DAEDLP C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001278809251 780491123 /nfs/dbraw/zinc/49/11/23/780491123.db2.gz FPNMHJYVVXPYSG-AAEUAGOBSA-N 2 2 321.381 -1.501 20 30 DAEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)CC(=O)NC(N)=O ZINC001265864971 780611931 /nfs/dbraw/zinc/61/19/31/780611931.db2.gz SAKFACJVGIIHLY-LBPRGKRZSA-N 2 2 323.397 -1.283 20 30 DAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CC(=O)NC(N)=O ZINC001265864971 780611939 /nfs/dbraw/zinc/61/19/39/780611939.db2.gz SAKFACJVGIIHLY-LBPRGKRZSA-N 2 2 323.397 -1.283 20 30 DAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CC(=O)NC(N)=O ZINC001265864971 780611943 /nfs/dbraw/zinc/61/19/43/780611943.db2.gz SAKFACJVGIIHLY-LBPRGKRZSA-N 2 2 323.397 -1.283 20 30 DAEDLP N#CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001282892974 780718052 /nfs/dbraw/zinc/71/80/52/780718052.db2.gz BCYLPLCGIDSPMD-XYYAHUGASA-N 2 2 316.365 -1.183 20 30 DAEDLP N#CCNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001282892974 780718056 /nfs/dbraw/zinc/71/80/56/780718056.db2.gz BCYLPLCGIDSPMD-XYYAHUGASA-N 2 2 316.365 -1.183 20 30 DAEDLP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001149123144 781415103 /nfs/dbraw/zinc/41/51/03/781415103.db2.gz GEBYICIQBCGLCL-UHFFFAOYSA-N 2 2 322.369 -1.022 20 30 DAEDLP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177401235 781635059 /nfs/dbraw/zinc/63/50/59/781635059.db2.gz STGUPSYBWCFCEB-UHFFFAOYSA-N 2 2 322.369 -1.009 20 30 DAEDLP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001181822127 781695207 /nfs/dbraw/zinc/69/52/07/781695207.db2.gz NMAZLCPLILVKGM-OLZOCXBDSA-N 2 2 310.398 -1.190 20 30 DAEDLP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001181822127 781695212 /nfs/dbraw/zinc/69/52/12/781695212.db2.gz NMAZLCPLILVKGM-OLZOCXBDSA-N 2 2 310.398 -1.190 20 30 DAEDLP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001187092064 781795668 /nfs/dbraw/zinc/79/56/68/781795668.db2.gz NJYUTXUAQBDSFE-GFCCVEGCSA-N 2 2 303.366 -1.098 20 30 DAEDLP