smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+]1CCC(NC(=O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000051767982 1070949427 /nfs/dbraw/zinc/94/94/27/1070949427.db2.gz AWWPENLKCOCHQL-UHFFFAOYSA-N 2 2 416.592 -1.303 20 0 HAADLP COc1nc(N[C@H](C)CN2CC[NH+](C)CC2)nc(N[C@@H](C)CN2CC[NH+](C)CC2)n1 ZINC000426898892 1071054734 /nfs/dbraw/zinc/05/47/34/1071054734.db2.gz OXOHZLWVIIUDRR-CALCHBBNSA-N 2 2 421.594 -1.180 20 0 HAADLP COc1nc(N[C@H](C)CN2CC[NH+](C)CC2)nc(N[C@H](C)CN2CC[NH+](C)CC2)n1 ZINC000426898896 1071054667 /nfs/dbraw/zinc/05/46/67/1071054667.db2.gz OXOHZLWVIIUDRR-IAGOWNOFSA-N 2 2 421.594 -1.180 20 0 HAADLP COc1nc(N[C@@H](C)CN2CC[NH+](C)CC2)nc(N[C@@H](C)CN2CC[NH+](C)CC2)n1 ZINC000426898898 1071054606 /nfs/dbraw/zinc/05/46/06/1071054606.db2.gz OXOHZLWVIIUDRR-IRXDYDNUSA-N 2 2 421.594 -1.180 20 0 HAADLP C[C@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC[N@H+]1CCO ZINC000427441181 1071058818 /nfs/dbraw/zinc/05/88/18/1071058818.db2.gz JPDKGGBXCSLHQU-AWEZNQCLSA-N 2 2 409.491 -1.976 20 0 HAADLP C[C@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC[N@@H+]1CCO ZINC000427441181 1071058808 /nfs/dbraw/zinc/05/88/08/1071058808.db2.gz JPDKGGBXCSLHQU-AWEZNQCLSA-N 2 2 409.491 -1.976 20 0 HAADLP C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC[N@H+]1CCO ZINC000427441182 1071058644 /nfs/dbraw/zinc/05/86/44/1071058644.db2.gz JPDKGGBXCSLHQU-CQSZACIVSA-N 2 2 409.491 -1.976 20 0 HAADLP C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC[N@@H+]1CCO ZINC000427441182 1071058634 /nfs/dbraw/zinc/05/86/34/1071058634.db2.gz JPDKGGBXCSLHQU-CQSZACIVSA-N 2 2 409.491 -1.976 20 0 HAADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[C@H](C(=O)N3CC[NH+](C[C@H](C)O)CC3)O2)CC1 ZINC000428490354 1071177890 /nfs/dbraw/zinc/17/78/90/1071177890.db2.gz MYGQDALZZWYPJE-WNRNVDISSA-N 2 2 412.531 -1.416 20 0 HAADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[C@@H](C(=O)N3CC[NH+](C[C@H](C)O)CC3)O2)CC1 ZINC000428490363 1071178232 /nfs/dbraw/zinc/17/82/32/1071178232.db2.gz MYGQDALZZWYPJE-XSLAGTTESA-N 2 2 412.531 -1.416 20 0 HAADLP C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H](C(=O)N3CC[N@@H+](CCO)[C@H](C)C3)O2)CC[NH+]1CCO ZINC000428513658 1071200827 /nfs/dbraw/zinc/20/08/27/1071200827.db2.gz FBXKJLFVHQHWMO-BDXSIMOUSA-N 2 2 412.531 -1.416 20 0 HAADLP C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H](C(=O)N3CC[N@H+](CCO)[C@H](C)C3)O2)CC[NH+]1CCO ZINC000428513658 1071200821 /nfs/dbraw/zinc/20/08/21/1071200821.db2.gz FBXKJLFVHQHWMO-BDXSIMOUSA-N 2 2 412.531 -1.416 20 0 HAADLP C[C@@H](O)C[NH+]1CCN(C(=O)COCC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)[C@@H](C)C1 ZINC000430439304 1070809723 /nfs/dbraw/zinc/80/97/23/1070809723.db2.gz ZEFBITMYYGTRST-FZDBZEDMSA-N 2 2 414.547 -1.170 20 0 HAADLP C[C@@H](O)C[NH+]1CCN(C(=O)COCC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)[C@@H](C)C1 ZINC000430439304 1070809696 /nfs/dbraw/zinc/80/96/96/1070809696.db2.gz ZEFBITMYYGTRST-FZDBZEDMSA-N 2 2 414.547 -1.170 20 0 HAADLP C[C@@H](O)C[N@H+]1CCN(C(=O)COCC(=O)N2CC[NH+](C[C@H](C)O)C[C@H]2C)[C@@H](C)C1 ZINC000430439304 1070809667 /nfs/dbraw/zinc/80/96/67/1070809667.db2.gz ZEFBITMYYGTRST-FZDBZEDMSA-N 2 2 414.547 -1.170 20 0 HAADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)COCC(=O)N2CC[NH+](C[C@H](C)O)C[C@H]2C)[C@@H](C)C1 ZINC000430439304 1070809632 /nfs/dbraw/zinc/80/96/32/1070809632.db2.gz ZEFBITMYYGTRST-FZDBZEDMSA-N 2 2 414.547 -1.170 20 0 HAADLP C[C@H](O)C[NH+]1CCN(C(=O)COCC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)[C@@H](C)C1 ZINC000430439305 1070810684 /nfs/dbraw/zinc/81/06/84/1070810684.db2.gz ZEFBITMYYGTRST-MHORFTMASA-N 2 2 414.547 -1.170 20 0 HAADLP C[C@H](O)C[NH+]1CCN(C(=O)COCC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)[C@@H](C)C1 ZINC000430439305 1070810661 /nfs/dbraw/zinc/81/06/61/1070810661.db2.gz ZEFBITMYYGTRST-MHORFTMASA-N 2 2 414.547 -1.170 20 0 HAADLP C[C@H](O)C[NH+]1CCN(C(=O)COCC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)[C@H](C)C1 ZINC000430439305 1070810642 /nfs/dbraw/zinc/81/06/42/1070810642.db2.gz ZEFBITMYYGTRST-MHORFTMASA-N 2 2 414.547 -1.170 20 0 HAADLP C[C@H](O)C[NH+]1CCN(C(=O)COCC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)[C@H](C)C1 ZINC000430439305 1070810623 /nfs/dbraw/zinc/81/06/23/1070810623.db2.gz ZEFBITMYYGTRST-MHORFTMASA-N 2 2 414.547 -1.170 20 0 HAADLP CN(C(=O)CN1CCN(C)C(=O)C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000436424379 1071016479 /nfs/dbraw/zinc/01/64/79/1071016479.db2.gz ZIMDZOGIFAYDRL-UHFFFAOYSA-N 2 2 408.547 -1.543 20 0 HAADLP C[NH+](C)CC(=O)N1CCN(c2cc(N3CCN(C(=O)C[NH+](C)C)CC3)ncn2)CC1 ZINC000439836913 1071044005 /nfs/dbraw/zinc/04/40/05/1071044005.db2.gz OIDNOTSUPVOLRD-UHFFFAOYSA-N 2 2 418.546 -1.103 20 0 HAADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000442073886 1071096300 /nfs/dbraw/zinc/09/63/00/1071096300.db2.gz AVUPXUMKIKLSBF-INIZCTEOSA-N 2 2 422.530 -0.543 20 0 HAADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000442073886 1071096293 /nfs/dbraw/zinc/09/62/93/1071096293.db2.gz AVUPXUMKIKLSBF-INIZCTEOSA-N 2 2 422.530 -0.543 20 0 HAADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000442073889 1071096152 /nfs/dbraw/zinc/09/61/52/1071096152.db2.gz AVUPXUMKIKLSBF-MRXNPFEDSA-N 2 2 422.530 -0.543 20 0 HAADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000442073889 1071096140 /nfs/dbraw/zinc/09/61/40/1071096140.db2.gz AVUPXUMKIKLSBF-MRXNPFEDSA-N 2 2 422.530 -0.543 20 0 HAADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[C@@H](C(=O)N3CC[NH+](C[C@@H](C)O)CC3)O2)CC1 ZINC000444382855 1071145151 /nfs/dbraw/zinc/14/51/51/1071145151.db2.gz MYGQDALZZWYPJE-BDXSIMOUSA-N 2 2 412.531 -1.416 20 0 HAADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[C@H](C(=O)N3CC[NH+](C[C@@H](C)O)CC3)O2)CC1 ZINC000444382856 1071144973 /nfs/dbraw/zinc/14/49/73/1071144973.db2.gz MYGQDALZZWYPJE-BRSBDYLESA-N 2 2 412.531 -1.416 20 0 HAADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000446720455 1071633357 /nfs/dbraw/zinc/63/33/57/1071633357.db2.gz NJHKSMFEQPUPOT-UHFFFAOYSA-N 2 2 420.514 -0.523 20 0 HAADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000446735911 1071168751 /nfs/dbraw/zinc/16/87/51/1071168751.db2.gz RJGURQLWMNPSKE-KRWDZBQOSA-N 2 2 420.514 -0.666 20 0 HAADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000446735912 1071168793 /nfs/dbraw/zinc/16/87/93/1071168793.db2.gz RJGURQLWMNPSKE-QGZVFWFLSA-N 2 2 420.514 -0.666 20 0 HAADLP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446772903 1071633028 /nfs/dbraw/zinc/63/30/28/1071633028.db2.gz OMXYOFFSQDWXNS-INIZCTEOSA-N 2 2 408.503 -0.619 20 0 HAADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446772903 1071633025 /nfs/dbraw/zinc/63/30/25/1071633025.db2.gz OMXYOFFSQDWXNS-INIZCTEOSA-N 2 2 408.503 -0.619 20 0 HAADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446772919 1071632804 /nfs/dbraw/zinc/63/28/04/1071632804.db2.gz OMXYOFFSQDWXNS-MRXNPFEDSA-N 2 2 408.503 -0.619 20 0 HAADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446772919 1071632795 /nfs/dbraw/zinc/63/27/95/1071632795.db2.gz OMXYOFFSQDWXNS-MRXNPFEDSA-N 2 2 408.503 -0.619 20 0 HAADLP C[C@@H](CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C[NH+]1CCOCC1 ZINC000446774963 1071168563 /nfs/dbraw/zinc/16/85/63/1071168563.db2.gz ILTUPCUAYZYWLQ-INIZCTEOSA-N 2 2 408.503 -0.762 20 0 HAADLP C[C@H](CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C[NH+]1CCOCC1 ZINC000446774966 1071168692 /nfs/dbraw/zinc/16/86/92/1071168692.db2.gz ILTUPCUAYZYWLQ-MRXNPFEDSA-N 2 2 408.503 -0.762 20 0 HAADLP COC(=O)[C@H](O)C1CC[NH+](CC(O)C[NH+]2CCC([C@@H](O)C(=O)OC)CC2)CC1 ZINC000447301838 1071176222 /nfs/dbraw/zinc/17/62/22/1071176222.db2.gz BIFJIJMUUGLVRC-IAGOWNOFSA-N 2 2 402.488 -1.161 20 0 HAADLP COC(=O)[C@@H](O)C1CC[NH+](CC(O)C[NH+]2CCC([C@H](O)C(=O)OC)CC2)CC1 ZINC000447301840 1071176483 /nfs/dbraw/zinc/17/64/83/1071176483.db2.gz BIFJIJMUUGLVRC-IRXDYDNUSA-N 2 2 402.488 -1.161 20 0 HAADLP COC(=O)[C@H](O)C1CC[NH+](C[C@@H](O)C[NH+]2CCC([C@H](O)C(=O)OC)CC2)CC1 ZINC000447301842 1071176508 /nfs/dbraw/zinc/17/65/08/1071176508.db2.gz BIFJIJMUUGLVRC-OSYLJGHBSA-N 2 2 402.488 -1.161 20 0 HAADLP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1 ZINC000448501280 1071190047 /nfs/dbraw/zinc/19/00/47/1071190047.db2.gz MJYILNBMIWCMOQ-UHFFFAOYSA-N 2 2 419.530 -0.460 20 0 HAADLP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1 ZINC000448501280 1071190045 /nfs/dbraw/zinc/19/00/45/1071190045.db2.gz MJYILNBMIWCMOQ-UHFFFAOYSA-N 2 2 419.530 -0.460 20 0 HAADLP COCCC[N@@H+](C)CCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000466065151 1071597588 /nfs/dbraw/zinc/59/75/88/1071597588.db2.gz JIEPKMUWJACEDK-UHFFFAOYSA-N 2 2 420.580 -1.226 20 0 HAADLP COCCC[N@H+](C)CCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000466065151 1071597582 /nfs/dbraw/zinc/59/75/82/1071597582.db2.gz JIEPKMUWJACEDK-UHFFFAOYSA-N 2 2 420.580 -1.226 20 0 HAADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000467543759 1071918518 /nfs/dbraw/zinc/91/85/18/1071918518.db2.gz REYZMQHJMNAITE-UHFFFAOYSA-N 2 2 414.532 -1.124 20 0 HAADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000467543759 1071918515 /nfs/dbraw/zinc/91/85/15/1071918515.db2.gz REYZMQHJMNAITE-UHFFFAOYSA-N 2 2 414.532 -1.124 20 0 HAADLP CC[NH+]1CCN(CC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000468492045 1071927453 /nfs/dbraw/zinc/92/74/53/1071927453.db2.gz LVCFJCUSIBEQHK-UHFFFAOYSA-N 2 2 402.565 -1.740 20 0 HAADLP CC(C)[N@H+]1CCO[C@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000469509519 1071938459 /nfs/dbraw/zinc/93/84/59/1071938459.db2.gz ZMPKDBYTAKVMII-INIZCTEOSA-N 2 2 403.549 -1.268 20 0 HAADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000469509519 1071938454 /nfs/dbraw/zinc/93/84/54/1071938454.db2.gz ZMPKDBYTAKVMII-INIZCTEOSA-N 2 2 403.549 -1.268 20 0 HAADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000469509520 1071053655 /nfs/dbraw/zinc/05/36/55/1071053655.db2.gz ZMPKDBYTAKVMII-MRXNPFEDSA-N 2 2 403.549 -1.268 20 0 HAADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000469509520 1071053645 /nfs/dbraw/zinc/05/36/45/1071053645.db2.gz ZMPKDBYTAKVMII-MRXNPFEDSA-N 2 2 403.549 -1.268 20 0 HAADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000471564406 1070820317 /nfs/dbraw/zinc/82/03/17/1070820317.db2.gz UERPWRLUSZWEHT-UHFFFAOYSA-N 2 2 424.546 -1.769 20 0 HAADLP C[NH+](C)CCOCCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000471661189 1070832074 /nfs/dbraw/zinc/83/20/74/1070832074.db2.gz AWOPFALWSCAAFP-UHFFFAOYSA-N 2 2 406.553 -1.616 20 0 HAADLP COC(=O)c1cn(CC(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)nn1 ZINC000474575214 1071126468 /nfs/dbraw/zinc/12/64/68/1071126468.db2.gz FAXVKZBIMZZCOT-UHFFFAOYSA-N 2 2 421.502 -1.239 20 0 HAADLP O=C(CCSCCC(=O)N1CC[NH+](CCO)CC1)N1CC[NH+](CCO)CC1 ZINC000476485043 1071234800 /nfs/dbraw/zinc/23/48/00/1071234800.db2.gz HZRYFKCAEVYYQB-UHFFFAOYSA-N 2 2 402.561 -1.227 20 0 HAADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000484085978 1071340080 /nfs/dbraw/zinc/34/00/80/1071340080.db2.gz TWNRTBILSCZUKB-MSOLQXFVSA-N 2 2 421.542 -1.068 20 0 HAADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000484085978 1071340065 /nfs/dbraw/zinc/34/00/65/1071340065.db2.gz TWNRTBILSCZUKB-MSOLQXFVSA-N 2 2 421.542 -1.068 20 0 HAADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000484085980 1071340460 /nfs/dbraw/zinc/34/04/60/1071340460.db2.gz TWNRTBILSCZUKB-QZTJIDSGSA-N 2 2 421.542 -1.068 20 0 HAADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000484085980 1071340445 /nfs/dbraw/zinc/34/04/45/1071340445.db2.gz TWNRTBILSCZUKB-QZTJIDSGSA-N 2 2 421.542 -1.068 20 0 HAADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000484085984 1071340315 /nfs/dbraw/zinc/34/03/15/1071340315.db2.gz TWNRTBILSCZUKB-ROUUACIJSA-N 2 2 421.542 -1.068 20 0 HAADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000484085984 1071340301 /nfs/dbraw/zinc/34/03/01/1071340301.db2.gz TWNRTBILSCZUKB-ROUUACIJSA-N 2 2 421.542 -1.068 20 0 HAADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000484085987 1071340212 /nfs/dbraw/zinc/34/02/12/1071340212.db2.gz TWNRTBILSCZUKB-ZWKOTPCHSA-N 2 2 421.542 -1.068 20 0 HAADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000484085987 1071340200 /nfs/dbraw/zinc/34/02/00/1071340200.db2.gz TWNRTBILSCZUKB-ZWKOTPCHSA-N 2 2 421.542 -1.068 20 0 HAADLP O=C1NC[C@@H]2C[N@@H+](CCCCC[NH+]3CCN4C(=O)C(=O)NC[C@H]4C3)CCN2C1=O ZINC000485400740 1071346902 /nfs/dbraw/zinc/34/69/02/1071346902.db2.gz CYGZLGGBAPNTJL-GASCZTMLSA-N 2 2 406.487 -2.558 20 0 HAADLP O=C1NC[C@@H]2C[N@H+](CCCCC[NH+]3CCN4C(=O)C(=O)NC[C@H]4C3)CCN2C1=O ZINC000485400740 1071346901 /nfs/dbraw/zinc/34/69/01/1071346901.db2.gz CYGZLGGBAPNTJL-GASCZTMLSA-N 2 2 406.487 -2.558 20 0 HAADLP O=C1NC[C@@H]2C[NH+](CCCCC[N@H+]3CCN4C(=O)C(=O)NC[C@H]4C3)CCN2C1=O ZINC000485400740 1071346899 /nfs/dbraw/zinc/34/68/99/1071346899.db2.gz CYGZLGGBAPNTJL-GASCZTMLSA-N 2 2 406.487 -2.558 20 0 HAADLP O=C1NC[C@@H]2C[NH+](CCCCC[N@@H+]3CCN4C(=O)C(=O)NC[C@H]4C3)CCN2C1=O ZINC000485400740 1071346897 /nfs/dbraw/zinc/34/68/97/1071346897.db2.gz CYGZLGGBAPNTJL-GASCZTMLSA-N 2 2 406.487 -2.558 20 0 HAADLP O=C1NC[C@H]2C[NH+](CCCCC[N@H+]3CCN4C(=O)C(=O)NC[C@H]4C3)CCN2C1=O ZINC000485400741 1071346945 /nfs/dbraw/zinc/34/69/45/1071346945.db2.gz CYGZLGGBAPNTJL-GJZGRUSLSA-N 2 2 406.487 -2.558 20 0 HAADLP O=C1NC[C@H]2C[NH+](CCCCC[N@@H+]3CCN4C(=O)C(=O)NC[C@H]4C3)CCN2C1=O ZINC000485400741 1071346942 /nfs/dbraw/zinc/34/69/42/1071346942.db2.gz CYGZLGGBAPNTJL-GJZGRUSLSA-N 2 2 406.487 -2.558 20 0 HAADLP O=C1NC[C@@H]2C[NH+](CCCCC[N@H+]3CCN4C(=O)C(=O)NC[C@@H]4C3)CCN2C1=O ZINC000485400742 1071346884 /nfs/dbraw/zinc/34/68/84/1071346884.db2.gz CYGZLGGBAPNTJL-HUUCEWRRSA-N 2 2 406.487 -2.558 20 0 HAADLP O=C1NC[C@@H]2C[NH+](CCCCC[N@@H+]3CCN4C(=O)C(=O)NC[C@@H]4C3)CCN2C1=O ZINC000485400742 1071346882 /nfs/dbraw/zinc/34/68/82/1071346882.db2.gz CYGZLGGBAPNTJL-HUUCEWRRSA-N 2 2 406.487 -2.558 20 0 HAADLP CC(C)C(=O)N[C@@H](CO)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000486313034 1071351962 /nfs/dbraw/zinc/35/19/62/1071351962.db2.gz FOBXLQVQOMFHRA-KRWDZBQOSA-N 2 2 411.547 -1.184 20 0 HAADLP CCS(=O)(=O)N(C)CC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000487268853 1071356084 /nfs/dbraw/zinc/35/60/84/1071356084.db2.gz MRHUTAAXSKONKF-UHFFFAOYSA-N 2 2 417.576 -1.035 20 0 HAADLP O=C(C[NH+]1CCCC1)N1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000490562092 1071370055 /nfs/dbraw/zinc/37/00/55/1071370055.db2.gz FFNMUJWHFVNLIU-GOSISDBHSA-N 2 2 421.542 -1.066 20 0 HAADLP O=C(C[NH+]1CCCC1)N1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000490562093 1071369935 /nfs/dbraw/zinc/36/99/35/1071369935.db2.gz FFNMUJWHFVNLIU-SFHVURJKSA-N 2 2 421.542 -1.066 20 0 HAADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000496266478 1071494457 /nfs/dbraw/zinc/49/44/57/1071494457.db2.gz NKDQZFVMEOBDJN-UHFFFAOYSA-N 2 2 410.563 -1.249 20 0 HAADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000496266478 1071494446 /nfs/dbraw/zinc/49/44/46/1071494446.db2.gz NKDQZFVMEOBDJN-UHFFFAOYSA-N 2 2 410.563 -1.249 20 0 HAADLP CN(C(=O)CN1C(=O)C(=O)N(C)C1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000498393042 1071388115 /nfs/dbraw/zinc/38/81/15/1071388115.db2.gz XBGJDBAGUVASBW-UHFFFAOYSA-N 2 2 422.486 -1.896 20 0 HAADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000498416307 1071514262 /nfs/dbraw/zinc/51/42/62/1071514262.db2.gz YTMIBIOSFFWRJF-UHFFFAOYSA-N 2 2 405.503 -1.082 20 0 HAADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000498416307 1071514253 /nfs/dbraw/zinc/51/42/53/1071514253.db2.gz YTMIBIOSFFWRJF-UHFFFAOYSA-N 2 2 405.503 -1.082 20 0 HAADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000498422612 1071394338 /nfs/dbraw/zinc/39/43/38/1071394338.db2.gz JSLBNUTVGMBGKS-UHFFFAOYSA-N 2 2 405.503 -1.082 20 0 HAADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000498422612 1071394323 /nfs/dbraw/zinc/39/43/23/1071394323.db2.gz JSLBNUTVGMBGKS-UHFFFAOYSA-N 2 2 405.503 -1.082 20 0 HAADLP Cn1cc(S(=O)(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c(=O)n(C)c1=O ZINC000498559487 1071517888 /nfs/dbraw/zinc/51/78/88/1071517888.db2.gz KMIJSKYJUFYTHS-UHFFFAOYSA-N 2 2 422.511 -1.030 20 0 HAADLP C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000499994199 1071605759 /nfs/dbraw/zinc/60/57/59/1071605759.db2.gz XPZRHWLUYHVBOQ-BEFAXECRSA-N 2 2 423.558 -1.041 20 0 HAADLP C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000499994200 1071605746 /nfs/dbraw/zinc/60/57/46/1071605746.db2.gz XPZRHWLUYHVBOQ-DNVCBOLYSA-N 2 2 423.558 -1.041 20 0 HAADLP C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000499994201 1071605849 /nfs/dbraw/zinc/60/58/49/1071605849.db2.gz XPZRHWLUYHVBOQ-HNAYVOBHSA-N 2 2 423.558 -1.041 20 0 HAADLP C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000499994202 1071605764 /nfs/dbraw/zinc/60/57/64/1071605764.db2.gz XPZRHWLUYHVBOQ-KXBFYZLASA-N 2 2 423.558 -1.041 20 0 HAADLP CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)CC1 ZINC000501040495 1070972550 /nfs/dbraw/zinc/97/25/50/1070972550.db2.gz QZVJEDHXHJSDFE-UHFFFAOYSA-N 2 2 411.547 -1.622 20 0 HAADLP CN(CCCNC(=O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)S(C)(=O)=O ZINC000501117750 1070972339 /nfs/dbraw/zinc/97/23/39/1070972339.db2.gz IZWSVFVPLVEUGL-UHFFFAOYSA-N 2 2 406.549 -1.457 20 0 HAADLP COCC[N@@H+](C)CCCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000504575759 1070993478 /nfs/dbraw/zinc/99/34/78/1070993478.db2.gz RMECTUXUJIXJFN-UHFFFAOYSA-N 2 2 420.580 -1.226 20 0 HAADLP COCC[N@H+](C)CCCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000504575759 1070993468 /nfs/dbraw/zinc/99/34/68/1070993468.db2.gz RMECTUXUJIXJFN-UHFFFAOYSA-N 2 2 420.580 -1.226 20 0 HAADLP COCCn1c(N)c(C(=O)C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c(=O)[nH]c1=O ZINC000507393435 1071056325 /nfs/dbraw/zinc/05/63/25/1071056325.db2.gz UQNDNUIYXMPFLY-UHFFFAOYSA-N 2 2 424.502 -1.250 20 0 HAADLP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000507439353 1071056780 /nfs/dbraw/zinc/05/67/80/1071056780.db2.gz CWGROPNVGDZIHG-GFCCVEGCSA-N 2 2 408.503 -1.373 20 0 HAADLP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000507439358 1071056906 /nfs/dbraw/zinc/05/69/06/1071056906.db2.gz CWGROPNVGDZIHG-LBPRGKRZSA-N 2 2 408.503 -1.373 20 0 HAADLP C[NH+]1CCN(C(=O)CCNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000511113661 1070856508 /nfs/dbraw/zinc/85/65/08/1070856508.db2.gz FBJMXWDNGDREKC-KRWDZBQOSA-N 2 2 409.531 -1.020 20 0 HAADLP C[NH+]1CCN(C(=O)CCNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000511113662 1070856368 /nfs/dbraw/zinc/85/63/68/1070856368.db2.gz FBJMXWDNGDREKC-QGZVFWFLSA-N 2 2 409.531 -1.020 20 0 HAADLP CN(C(=O)CN1C(=O)CN(C)C1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000518499312 1071037434 /nfs/dbraw/zinc/03/74/34/1071037434.db2.gz BWNYCNGGXPSMAP-UHFFFAOYSA-N 2 2 408.503 -1.423 20 0 HAADLP CN(C(=O)CCNS(C)(=O)=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000520684381 1071076245 /nfs/dbraw/zinc/07/62/45/1071076245.db2.gz IFFSTYNATFBFIV-UHFFFAOYSA-N 2 2 403.549 -1.378 20 0 HAADLP CN(C(=O)Cn1ccc(=O)n(C)c1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000520685302 1071076503 /nfs/dbraw/zinc/07/65/03/1071076503.db2.gz UCGMMKPRVKYOJO-UHFFFAOYSA-N 2 2 420.514 -1.756 20 0 HAADLP C[C@@H]1C[N@H+](C[C@H](O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000520695176 1071076195 /nfs/dbraw/zinc/07/61/95/1071076195.db2.gz SWVHRCKORJLRQU-FGTMMUONSA-N 2 2 419.592 -1.434 20 0 HAADLP C[C@@H]1C[N@@H+](C[C@H](O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000520695176 1071076181 /nfs/dbraw/zinc/07/61/81/1071076181.db2.gz SWVHRCKORJLRQU-FGTMMUONSA-N 2 2 419.592 -1.434 20 0 HAADLP C[C@@H]1C[N@H+](C[C@@H](O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000520695177 1071076372 /nfs/dbraw/zinc/07/63/72/1071076372.db2.gz SWVHRCKORJLRQU-KSZLIROESA-N 2 2 419.592 -1.434 20 0 HAADLP C[C@@H]1C[N@@H+](C[C@@H](O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000520695177 1071076356 /nfs/dbraw/zinc/07/63/56/1071076356.db2.gz SWVHRCKORJLRQU-KSZLIROESA-N 2 2 419.592 -1.434 20 0 HAADLP C[C@@H]1C[NH+](C[C@@H](O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C[C@@H](C)O1 ZINC000520695178 1071076443 /nfs/dbraw/zinc/07/64/43/1071076443.db2.gz SWVHRCKORJLRQU-KURKYZTESA-N 2 2 419.592 -1.434 20 0 HAADLP C[C@@H]1C[NH+](C[C@H](O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C[C@@H](C)O1 ZINC000520695179 1071076061 /nfs/dbraw/zinc/07/60/61/1071076061.db2.gz SWVHRCKORJLRQU-KZNAEPCWSA-N 2 2 419.592 -1.434 20 0 HAADLP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)cn2)CC1 ZINC000532138778 1071199199 /nfs/dbraw/zinc/19/91/99/1071199199.db2.gz GGVFDLBCUQJBJR-DLBZAZTESA-N 2 2 410.544 -1.184 20 0 HAADLP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)cn2)CC1 ZINC000532138782 1071199308 /nfs/dbraw/zinc/19/93/08/1071199308.db2.gz GGVFDLBCUQJBJR-IAGOWNOFSA-N 2 2 410.544 -1.184 20 0 HAADLP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)cn2)CC1 ZINC000532138783 1071199425 /nfs/dbraw/zinc/19/94/25/1071199425.db2.gz GGVFDLBCUQJBJR-IRXDYDNUSA-N 2 2 410.544 -1.184 20 0 HAADLP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)cn2)CC1 ZINC000532138784 1071199045 /nfs/dbraw/zinc/19/90/45/1071199045.db2.gz GGVFDLBCUQJBJR-SJORKVTESA-N 2 2 410.544 -1.184 20 0 HAADLP CCS(=O)(=O)NCC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000536186250 1070874825 /nfs/dbraw/zinc/87/48/25/1070874825.db2.gz AQHAZRBMMAECBY-UHFFFAOYSA-N 2 2 403.549 -1.378 20 0 HAADLP Cn1cc(C[NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c(=O)n(C)c1=O ZINC000540528572 1071443452 /nfs/dbraw/zinc/44/34/52/1071443452.db2.gz RAEGSILVQFLSSQ-UHFFFAOYSA-N 2 2 422.511 -1.279 20 0 HAADLP CN(C)S(=O)(=O)CC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000541422499 1071453737 /nfs/dbraw/zinc/45/37/37/1071453737.db2.gz FVXFLOYEWQLPII-UHFFFAOYSA-N 2 2 403.549 -1.425 20 0 HAADLP O=C(NCCC[NH+]1CCOCC1)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000549884064 1070955167 /nfs/dbraw/zinc/95/51/67/1070955167.db2.gz UFYAOUDHVYXDGT-UHFFFAOYSA-N 2 2 419.530 -1.057 20 0 HAADLP CC[NH+](CC)CCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000549926839 1070963110 /nfs/dbraw/zinc/96/31/10/1070963110.db2.gz ITVFZVNZGJQQGX-UHFFFAOYSA-N 2 2 418.564 -1.919 20 0 HAADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000550374820 1071069419 /nfs/dbraw/zinc/06/94/19/1071069419.db2.gz NWPXZSIUHCNHGG-KRWDZBQOSA-N 2 2 419.530 -1.058 20 0 HAADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000550374820 1071069405 /nfs/dbraw/zinc/06/94/05/1071069405.db2.gz NWPXZSIUHCNHGG-KRWDZBQOSA-N 2 2 419.530 -1.058 20 0 HAADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000550374821 1071069333 /nfs/dbraw/zinc/06/93/33/1071069333.db2.gz NWPXZSIUHCNHGG-QGZVFWFLSA-N 2 2 419.530 -1.058 20 0 HAADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000550374821 1071069324 /nfs/dbraw/zinc/06/93/24/1071069324.db2.gz NWPXZSIUHCNHGG-QGZVFWFLSA-N 2 2 419.530 -1.058 20 0 HAADLP CN(C(=O)CCn1ncn(C)c1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000550381246 1071069189 /nfs/dbraw/zinc/06/91/89/1071069189.db2.gz DDWMMEAYBUXHIQ-UHFFFAOYSA-N 2 2 407.519 -1.331 20 0 HAADLP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000550668671 1071233215 /nfs/dbraw/zinc/23/32/15/1071233215.db2.gz FFZGTAHPRZLEBL-KRWDZBQOSA-N 2 2 409.531 -1.163 20 0 HAADLP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000551054729 1071243926 /nfs/dbraw/zinc/24/39/26/1071243926.db2.gz FFZGTAHPRZLEBL-QGZVFWFLSA-N 2 2 409.531 -1.163 20 0 HAADLP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000551061958 1071244808 /nfs/dbraw/zinc/24/48/08/1071244808.db2.gz FSISJGWIFPGPBH-UHFFFAOYSA-N 2 2 409.531 -1.163 20 0 HAADLP C[C@H](CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)CN1CC[NH+](C)CC1 ZINC000551125812 1071245624 /nfs/dbraw/zinc/24/56/24/1071245624.db2.gz OTBAUMCIODMWSW-GOSISDBHSA-N 2 2 422.574 -1.247 20 0 HAADLP C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)CN1CC[NH+](C)CC1 ZINC000551125813 1071245710 /nfs/dbraw/zinc/24/57/10/1071245710.db2.gz OTBAUMCIODMWSW-SFHVURJKSA-N 2 2 422.574 -1.247 20 0 HAADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000551126130 1071245584 /nfs/dbraw/zinc/24/55/84/1071245584.db2.gz RONYKPCOGTUXFW-GOSISDBHSA-N 2 2 424.590 -1.001 20 0 HAADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000551126131 1071245553 /nfs/dbraw/zinc/24/55/53/1071245553.db2.gz RONYKPCOGTUXFW-SFHVURJKSA-N 2 2 424.590 -1.001 20 0 HAADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)CC1 ZINC000551187309 1071247126 /nfs/dbraw/zinc/24/71/26/1071247126.db2.gz GZLVPCOPVQMNCJ-AWEZNQCLSA-N 2 2 411.503 -1.591 20 0 HAADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)CC1 ZINC000551187309 1071247120 /nfs/dbraw/zinc/24/71/20/1071247120.db2.gz GZLVPCOPVQMNCJ-AWEZNQCLSA-N 2 2 411.503 -1.591 20 0 HAADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)CC1 ZINC000551187311 1071247026 /nfs/dbraw/zinc/24/70/26/1071247026.db2.gz GZLVPCOPVQMNCJ-CQSZACIVSA-N 2 2 411.503 -1.591 20 0 HAADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)CC1 ZINC000551187311 1071247017 /nfs/dbraw/zinc/24/70/17/1071247017.db2.gz GZLVPCOPVQMNCJ-CQSZACIVSA-N 2 2 411.503 -1.591 20 0 HAADLP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000552501216 1071277666 /nfs/dbraw/zinc/27/76/66/1071277666.db2.gz RHYSCYSAGMVOTE-HNNXBMFYSA-N 2 2 418.564 -1.921 20 0 HAADLP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000552501217 1071277629 /nfs/dbraw/zinc/27/76/29/1071277629.db2.gz RHYSCYSAGMVOTE-OAHLLOKOSA-N 2 2 418.564 -1.921 20 0 HAADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCN(S(C)(=O)=O)CC3)CC2)CC1 ZINC000552519344 1071277481 /nfs/dbraw/zinc/27/74/81/1071277481.db2.gz NDAXFKXKBVPSIU-UHFFFAOYSA-N 2 2 415.560 -1.235 20 0 HAADLP CCNC(=O)CN1CCN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000552521037 1071277411 /nfs/dbraw/zinc/27/74/11/1071277411.db2.gz QUVKIBZUEOVRJS-UHFFFAOYSA-N 2 2 422.574 -1.059 20 0 HAADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCNC(=O)c1cnccn1 ZINC000552928399 1071286273 /nfs/dbraw/zinc/28/62/73/1071286273.db2.gz DKZKHZNQOSNIHZ-UHFFFAOYSA-N 2 2 405.503 -1.193 20 0 HAADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCNC(=O)c1cnccn1 ZINC000552928399 1071286265 /nfs/dbraw/zinc/28/62/65/1071286265.db2.gz DKZKHZNQOSNIHZ-UHFFFAOYSA-N 2 2 405.503 -1.193 20 0 HAADLP CC(C)Nc1nc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)nc(NCCO)[nH+]1 ZINC000553307849 1071294854 /nfs/dbraw/zinc/29/48/54/1071294854.db2.gz MPJFPPNTZWMZPS-GOOCMWNKSA-N 2 2 406.535 -1.143 20 0 HAADLP CC(C)Nc1nc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)nc(NCCO)[nH+]1 ZINC000553307849 1071294829 /nfs/dbraw/zinc/29/48/29/1071294829.db2.gz MPJFPPNTZWMZPS-GOOCMWNKSA-N 2 2 406.535 -1.143 20 0 HAADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C ZINC000553834486 1071301557 /nfs/dbraw/zinc/30/15/57/1071301557.db2.gz FOPSHFKLHWODRY-HNNXBMFYSA-N 2 2 405.503 -1.133 20 0 HAADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1C ZINC000553834486 1071301549 /nfs/dbraw/zinc/30/15/49/1071301549.db2.gz FOPSHFKLHWODRY-HNNXBMFYSA-N 2 2 405.503 -1.133 20 0 HAADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1C ZINC000553834490 1071301860 /nfs/dbraw/zinc/30/18/60/1071301860.db2.gz FOPSHFKLHWODRY-OAHLLOKOSA-N 2 2 405.503 -1.133 20 0 HAADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1C ZINC000553834490 1071301845 /nfs/dbraw/zinc/30/18/45/1071301845.db2.gz FOPSHFKLHWODRY-OAHLLOKOSA-N 2 2 405.503 -1.133 20 0 HAADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000554122783 1071306513 /nfs/dbraw/zinc/30/65/13/1071306513.db2.gz CDXXIEZEBJZHGV-UHFFFAOYSA-N 2 2 424.546 -1.722 20 0 HAADLP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)NCCCC[NH+]2CCN(CCO)CC2)C[C@H]1C ZINC000554438077 1071309607 /nfs/dbraw/zinc/30/96/07/1071309607.db2.gz XNLWWCLJAFBBFU-MSOLQXFVSA-N 2 2 413.563 -1.594 20 0 HAADLP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)NCCCC[NH+]2CCN(CCO)CC2)C[C@H]1C ZINC000554438077 1071309598 /nfs/dbraw/zinc/30/95/98/1071309598.db2.gz XNLWWCLJAFBBFU-MSOLQXFVSA-N 2 2 413.563 -1.594 20 0 HAADLP C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)NCCCC[NH+]2CCN(CCO)CC2)C[C@H]1C ZINC000554438078 1071310011 /nfs/dbraw/zinc/31/00/11/1071310011.db2.gz XNLWWCLJAFBBFU-QZTJIDSGSA-N 2 2 413.563 -1.594 20 0 HAADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)NCCCC[NH+]2CCN(CCO)CC2)C[C@H]1C ZINC000554438078 1071309998 /nfs/dbraw/zinc/30/99/98/1071309998.db2.gz XNLWWCLJAFBBFU-QZTJIDSGSA-N 2 2 413.563 -1.594 20 0 HAADLP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)NCCCC[NH+]2CCN(CCO)CC2)C[C@@H]1C ZINC000554438079 1071309789 /nfs/dbraw/zinc/30/97/89/1071309789.db2.gz XNLWWCLJAFBBFU-ROUUACIJSA-N 2 2 413.563 -1.594 20 0 HAADLP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)NCCCC[NH+]2CCN(CCO)CC2)C[C@@H]1C ZINC000554438079 1071309782 /nfs/dbraw/zinc/30/97/82/1071309782.db2.gz XNLWWCLJAFBBFU-ROUUACIJSA-N 2 2 413.563 -1.594 20 0 HAADLP C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)NCCCC[NH+]2CCN(CCO)CC2)C[C@@H]1C ZINC000554438080 1071309923 /nfs/dbraw/zinc/30/99/23/1071309923.db2.gz XNLWWCLJAFBBFU-ZWKOTPCHSA-N 2 2 413.563 -1.594 20 0 HAADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)NCCCC[NH+]2CCN(CCO)CC2)C[C@@H]1C ZINC000554438080 1071309912 /nfs/dbraw/zinc/30/99/12/1071309912.db2.gz XNLWWCLJAFBBFU-ZWKOTPCHSA-N 2 2 413.563 -1.594 20 0 HAADLP C[NH+]1CCC(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000555674830 1071321948 /nfs/dbraw/zinc/32/19/48/1071321948.db2.gz UWNNTKDHCPOXQT-UHFFFAOYSA-N 2 2 416.548 -2.167 20 0 HAADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000555730327 1071323852 /nfs/dbraw/zinc/32/38/52/1071323852.db2.gz NZLCYWUWMPPGLJ-DLBZAZTESA-N 2 2 400.520 -1.389 20 0 HAADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000555730327 1071323833 /nfs/dbraw/zinc/32/38/33/1071323833.db2.gz NZLCYWUWMPPGLJ-DLBZAZTESA-N 2 2 400.520 -1.389 20 0 HAADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000555730328 1071323682 /nfs/dbraw/zinc/32/36/82/1071323682.db2.gz NZLCYWUWMPPGLJ-IAGOWNOFSA-N 2 2 400.520 -1.389 20 0 HAADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000555730328 1071323672 /nfs/dbraw/zinc/32/36/72/1071323672.db2.gz NZLCYWUWMPPGLJ-IAGOWNOFSA-N 2 2 400.520 -1.389 20 0 HAADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000555730329 1071323761 /nfs/dbraw/zinc/32/37/61/1071323761.db2.gz NZLCYWUWMPPGLJ-IRXDYDNUSA-N 2 2 400.520 -1.389 20 0 HAADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000555730329 1071323741 /nfs/dbraw/zinc/32/37/41/1071323741.db2.gz NZLCYWUWMPPGLJ-IRXDYDNUSA-N 2 2 400.520 -1.389 20 0 HAADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000555730330 1071323554 /nfs/dbraw/zinc/32/35/54/1071323554.db2.gz NZLCYWUWMPPGLJ-SJORKVTESA-N 2 2 400.520 -1.389 20 0 HAADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000555730330 1071323542 /nfs/dbraw/zinc/32/35/42/1071323542.db2.gz NZLCYWUWMPPGLJ-SJORKVTESA-N 2 2 400.520 -1.389 20 0 HAADLP CC[NH+](CC)CCS(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000555947835 1071327570 /nfs/dbraw/zinc/32/75/70/1071327570.db2.gz FBSABEKZXOGBLQ-UHFFFAOYSA-N 2 2 411.594 -1.232 20 0 HAADLP C[C@H](NS(C)(=O)=O)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000556343906 1071514786 /nfs/dbraw/zinc/51/47/86/1071514786.db2.gz WYRWSTVCAQNIME-AWEZNQCLSA-N 2 2 403.549 -1.379 20 0 HAADLP C[C@@H](NS(C)(=O)=O)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000556343907 1071514682 /nfs/dbraw/zinc/51/46/82/1071514682.db2.gz WYRWSTVCAQNIME-CQSZACIVSA-N 2 2 403.549 -1.379 20 0 HAADLP C[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)CN1CC[NH+](C)CC1 ZINC000556354751 1071515482 /nfs/dbraw/zinc/51/54/82/1071515482.db2.gz HYYDOYWXOQIHQQ-MSOLQXFVSA-N 2 2 422.574 -1.249 20 0 HAADLP C[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)CN1CC[NH+](C)CC1 ZINC000556354751 1071515474 /nfs/dbraw/zinc/51/54/74/1071515474.db2.gz HYYDOYWXOQIHQQ-MSOLQXFVSA-N 2 2 422.574 -1.249 20 0 HAADLP C[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)CN1CC[NH+](C)CC1 ZINC000556354753 1071515585 /nfs/dbraw/zinc/51/55/85/1071515585.db2.gz HYYDOYWXOQIHQQ-QZTJIDSGSA-N 2 2 422.574 -1.249 20 0 HAADLP C[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)CN1CC[NH+](C)CC1 ZINC000556354753 1071515572 /nfs/dbraw/zinc/51/55/72/1071515572.db2.gz HYYDOYWXOQIHQQ-QZTJIDSGSA-N 2 2 422.574 -1.249 20 0 HAADLP C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)CN1CC[NH+](C)CC1 ZINC000556354755 1071515816 /nfs/dbraw/zinc/51/58/16/1071515816.db2.gz HYYDOYWXOQIHQQ-ROUUACIJSA-N 2 2 422.574 -1.249 20 0 HAADLP C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)CN1CC[NH+](C)CC1 ZINC000556354755 1071515800 /nfs/dbraw/zinc/51/58/00/1071515800.db2.gz HYYDOYWXOQIHQQ-ROUUACIJSA-N 2 2 422.574 -1.249 20 0 HAADLP C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)CN1CC[NH+](C)CC1 ZINC000556354757 1071515628 /nfs/dbraw/zinc/51/56/28/1071515628.db2.gz HYYDOYWXOQIHQQ-ZWKOTPCHSA-N 2 2 422.574 -1.249 20 0 HAADLP C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)CN1CC[NH+](C)CC1 ZINC000556354757 1071515614 /nfs/dbraw/zinc/51/56/14/1071515614.db2.gz HYYDOYWXOQIHQQ-ZWKOTPCHSA-N 2 2 422.574 -1.249 20 0 HAADLP C[C@@H](CNC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)C[NH+]1CCN(C)CC1 ZINC000556369254 1071515733 /nfs/dbraw/zinc/51/57/33/1071515733.db2.gz RNJQIVKIKXYNJX-KRWDZBQOSA-N 2 2 410.563 -1.391 20 0 HAADLP C[C@H](CNC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)C[NH+]1CCN(C)CC1 ZINC000556369259 1071515933 /nfs/dbraw/zinc/51/59/33/1071515933.db2.gz RNJQIVKIKXYNJX-QGZVFWFLSA-N 2 2 410.563 -1.391 20 0 HAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000557692572 1071956780 /nfs/dbraw/zinc/95/67/80/1071956780.db2.gz HIABVFDEJBBOIL-KRWDZBQOSA-N 2 2 412.531 -1.101 20 0 HAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000557692573 1071956935 /nfs/dbraw/zinc/95/69/35/1071956935.db2.gz HIABVFDEJBBOIL-QGZVFWFLSA-N 2 2 412.531 -1.101 20 0 HAADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000557767412 1071957574 /nfs/dbraw/zinc/95/75/74/1071957574.db2.gz MBTJFAOLBZRUAM-AWEZNQCLSA-N 2 2 416.486 -1.151 20 0 HAADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000557767412 1071957570 /nfs/dbraw/zinc/95/75/70/1071957570.db2.gz MBTJFAOLBZRUAM-AWEZNQCLSA-N 2 2 416.486 -1.151 20 0 HAADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000557767414 1071957732 /nfs/dbraw/zinc/95/77/32/1071957732.db2.gz MBTJFAOLBZRUAM-CQSZACIVSA-N 2 2 416.486 -1.151 20 0 HAADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000557767414 1071957725 /nfs/dbraw/zinc/95/77/25/1071957725.db2.gz MBTJFAOLBZRUAM-CQSZACIVSA-N 2 2 416.486 -1.151 20 0 HAADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000558021753 1071959586 /nfs/dbraw/zinc/95/95/86/1071959586.db2.gz LMWYHBFEZYPGLE-HNNXBMFYSA-N 2 2 411.547 -1.041 20 0 HAADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000558021753 1071959581 /nfs/dbraw/zinc/95/95/81/1071959581.db2.gz LMWYHBFEZYPGLE-HNNXBMFYSA-N 2 2 411.547 -1.041 20 0 HAADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000558021755 1071959555 /nfs/dbraw/zinc/95/95/55/1071959555.db2.gz LMWYHBFEZYPGLE-OAHLLOKOSA-N 2 2 411.547 -1.041 20 0 HAADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000558021755 1071959549 /nfs/dbraw/zinc/95/95/49/1071959549.db2.gz LMWYHBFEZYPGLE-OAHLLOKOSA-N 2 2 411.547 -1.041 20 0 HAADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000559608074 1071968582 /nfs/dbraw/zinc/96/85/82/1071968582.db2.gz VHJYXGFYVQSJJY-KRWDZBQOSA-N 2 2 418.546 -1.533 20 0 HAADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000559608074 1071968564 /nfs/dbraw/zinc/96/85/64/1071968564.db2.gz VHJYXGFYVQSJJY-KRWDZBQOSA-N 2 2 418.546 -1.533 20 0 HAADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000559608079 1071968658 /nfs/dbraw/zinc/96/86/58/1071968658.db2.gz VHJYXGFYVQSJJY-QGZVFWFLSA-N 2 2 418.546 -1.533 20 0 HAADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000559608079 1071968647 /nfs/dbraw/zinc/96/86/47/1071968647.db2.gz VHJYXGFYVQSJJY-QGZVFWFLSA-N 2 2 418.546 -1.533 20 0 HAADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000559754611 1071970159 /nfs/dbraw/zinc/97/01/59/1071970159.db2.gz ZYGHLZPSXXBYIR-UHFFFAOYSA-N 2 2 424.546 -1.627 20 0 HAADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000559769587 1071970596 /nfs/dbraw/zinc/97/05/96/1071970596.db2.gz RVPZTORRPDXLQH-KRWDZBQOSA-N 2 2 410.563 -1.344 20 0 HAADLP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000559769588 1071970790 /nfs/dbraw/zinc/97/07/90/1071970790.db2.gz RVPZTORRPDXLQH-QGZVFWFLSA-N 2 2 410.563 -1.344 20 0 HAADLP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000559770984 1071970699 /nfs/dbraw/zinc/97/06/99/1071970699.db2.gz NRIITPIPBLKAJW-INIZCTEOSA-N 2 2 409.531 -1.022 20 0 HAADLP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000559770984 1071970691 /nfs/dbraw/zinc/97/06/91/1071970691.db2.gz NRIITPIPBLKAJW-INIZCTEOSA-N 2 2 409.531 -1.022 20 0 HAADLP C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC[N@H+]1CC(C)(C)O ZINC000567240129 1072006008 /nfs/dbraw/zinc/00/60/08/1072006008.db2.gz IGPGQQAVCVLNQO-HNNXBMFYSA-N 2 2 411.547 -1.041 20 0 HAADLP C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC[N@@H+]1CC(C)(C)O ZINC000567240129 1072005994 /nfs/dbraw/zinc/00/59/94/1072005994.db2.gz IGPGQQAVCVLNQO-HNNXBMFYSA-N 2 2 411.547 -1.041 20 0 HAADLP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC[N@H+]1CC(C)(C)O ZINC000567240130 1072006088 /nfs/dbraw/zinc/00/60/88/1072006088.db2.gz IGPGQQAVCVLNQO-OAHLLOKOSA-N 2 2 411.547 -1.041 20 0 HAADLP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC[N@@H+]1CC(C)(C)O ZINC000567240130 1072006077 /nfs/dbraw/zinc/00/60/77/1072006077.db2.gz IGPGQQAVCVLNQO-OAHLLOKOSA-N 2 2 411.547 -1.041 20 0 HAADLP C[NH+](C)[C@H]1CN(C(=O)c2cccc(C(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)c2O)C[C@@H]1O ZINC000568800623 1072010220 /nfs/dbraw/zinc/01/02/20/1072010220.db2.gz PAXPRLIHOIPLBI-QAETUUGQSA-N 2 2 406.483 -1.114 20 0 HAADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000569033665 1072011086 /nfs/dbraw/zinc/01/10/86/1072011086.db2.gz CHBUFBLHOACSJL-INIZCTEOSA-N 2 2 409.531 -1.164 20 0 HAADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000569033667 1072011067 /nfs/dbraw/zinc/01/10/67/1072011067.db2.gz CHBUFBLHOACSJL-MRXNPFEDSA-N 2 2 409.531 -1.164 20 0 HAADLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000570416694 1072015102 /nfs/dbraw/zinc/01/51/02/1072015102.db2.gz NRIITPIPBLKAJW-MRXNPFEDSA-N 2 2 409.531 -1.022 20 0 HAADLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000570416694 1072015093 /nfs/dbraw/zinc/01/50/93/1072015093.db2.gz NRIITPIPBLKAJW-MRXNPFEDSA-N 2 2 409.531 -1.022 20 0 HAADLP C[NH+](C)CC(=O)N1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000571311008 1071373625 /nfs/dbraw/zinc/37/36/25/1071373625.db2.gz RJHGRVAQFSTRLX-KRWDZBQOSA-N 2 2 409.531 -1.068 20 0 HAADLP C[NH+](C)CC(=O)N1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000571311009 1071373786 /nfs/dbraw/zinc/37/37/86/1071373786.db2.gz RJHGRVAQFSTRLX-QGZVFWFLSA-N 2 2 409.531 -1.068 20 0 HAADLP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000571547329 1072018403 /nfs/dbraw/zinc/01/84/03/1072018403.db2.gz GOOJPPJINGSCTQ-UHFFFAOYSA-N 2 2 404.475 -1.294 20 0 HAADLP COCC[N@H+](C)CCNC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000571547329 1072018391 /nfs/dbraw/zinc/01/83/91/1072018391.db2.gz GOOJPPJINGSCTQ-UHFFFAOYSA-N 2 2 404.475 -1.294 20 0 HAADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000572025332 1071376822 /nfs/dbraw/zinc/37/68/22/1071376822.db2.gz AOWSZUNCMORRAH-KRWDZBQOSA-N 2 2 409.531 -1.164 20 0 HAADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000572025332 1071376809 /nfs/dbraw/zinc/37/68/09/1071376809.db2.gz AOWSZUNCMORRAH-KRWDZBQOSA-N 2 2 409.531 -1.164 20 0 HAADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000572025333 1071376699 /nfs/dbraw/zinc/37/66/99/1071376699.db2.gz AOWSZUNCMORRAH-QGZVFWFLSA-N 2 2 409.531 -1.164 20 0 HAADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000572025333 1071376685 /nfs/dbraw/zinc/37/66/85/1071376685.db2.gz AOWSZUNCMORRAH-QGZVFWFLSA-N 2 2 409.531 -1.164 20 0 HAADLP C[NH+]1CCN(C(=O)CC2CC[NH+]([C@H]3CC(=O)N(CCOCCO)C3=O)CC2)CC1 ZINC000573497861 1071390641 /nfs/dbraw/zinc/39/06/41/1071390641.db2.gz HLWBXAHOCSPXQF-KRWDZBQOSA-N 2 2 410.515 -1.001 20 0 HAADLP C[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H]3CC(=O)N(CCOCCO)C3=O)CC2)CC1 ZINC000573497862 1071390765 /nfs/dbraw/zinc/39/07/65/1071390765.db2.gz HLWBXAHOCSPXQF-QGZVFWFLSA-N 2 2 410.515 -1.001 20 0 HAADLP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000574650990 1071396897 /nfs/dbraw/zinc/39/68/97/1071396897.db2.gz ARYKKSZKNATVJM-INWMFGNUSA-N 2 2 409.512 -1.375 20 0 HAADLP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000574650990 1071396887 /nfs/dbraw/zinc/39/68/87/1071396887.db2.gz ARYKKSZKNATVJM-INWMFGNUSA-N 2 2 409.512 -1.375 20 0 HAADLP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000574650992 1071396853 /nfs/dbraw/zinc/39/68/53/1071396853.db2.gz ARYKKSZKNATVJM-IVMMDQJWSA-N 2 2 409.512 -1.375 20 0 HAADLP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000574650992 1071396842 /nfs/dbraw/zinc/39/68/42/1071396842.db2.gz ARYKKSZKNATVJM-IVMMDQJWSA-N 2 2 409.512 -1.375 20 0 HAADLP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000574650993 1071396803 /nfs/dbraw/zinc/39/68/03/1071396803.db2.gz ARYKKSZKNATVJM-XNRPHZJLSA-N 2 2 409.512 -1.375 20 0 HAADLP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000574650993 1071396789 /nfs/dbraw/zinc/39/67/89/1071396789.db2.gz ARYKKSZKNATVJM-XNRPHZJLSA-N 2 2 409.512 -1.375 20 0 HAADLP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000574650994 1071396984 /nfs/dbraw/zinc/39/69/84/1071396984.db2.gz ARYKKSZKNATVJM-XPKDYRNWSA-N 2 2 409.512 -1.375 20 0 HAADLP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000574650994 1071396971 /nfs/dbraw/zinc/39/69/71/1071396971.db2.gz ARYKKSZKNATVJM-XPKDYRNWSA-N 2 2 409.512 -1.375 20 0 HAADLP CN(C(=O)CN1CCCS1(=O)=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000574660031 1072024528 /nfs/dbraw/zinc/02/45/28/1072024528.db2.gz QDGFEYVYGYIJGW-UHFFFAOYSA-N 2 2 415.560 -1.281 20 0 HAADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NCCOCC[NH+](C)C)CC1 ZINC000577910215 1072031956 /nfs/dbraw/zinc/03/19/56/1072031956.db2.gz AOWZZOUOCCMLQG-UHFFFAOYSA-N 2 2 404.475 -1.294 20 0 HAADLP CC[C@H](CO)[NH+]1CCN(C(=O)COCC(=O)N2CC[NH+]([C@@H](CC)CO)CC2)CC1 ZINC000579818435 1070794249 /nfs/dbraw/zinc/79/42/49/1070794249.db2.gz ULUTXEAHWLRNKH-HDICACEKSA-N 2 2 414.547 -1.167 20 0 HAADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000579938348 1070809915 /nfs/dbraw/zinc/80/99/15/1070809915.db2.gz OYWIRLAKIOLZRR-UHFFFAOYSA-N 2 2 409.531 -1.116 20 0 HAADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C ZINC000582259665 1070854577 /nfs/dbraw/zinc/85/45/77/1070854577.db2.gz XTPDCOIGKKLGAP-UHFFFAOYSA-N 2 2 405.503 -1.131 20 0 HAADLP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CCCO1 ZINC000584015205 1070874774 /nfs/dbraw/zinc/87/47/74/1070874774.db2.gz WFCLCFIYHUWZTO-DLBZAZTESA-N 2 2 400.520 -1.245 20 0 HAADLP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CCCO1 ZINC000584015205 1070874752 /nfs/dbraw/zinc/87/47/52/1070874752.db2.gz WFCLCFIYHUWZTO-DLBZAZTESA-N 2 2 400.520 -1.245 20 0 HAADLP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CCCO1 ZINC000584015206 1070874668 /nfs/dbraw/zinc/87/46/68/1070874668.db2.gz WFCLCFIYHUWZTO-IAGOWNOFSA-N 2 2 400.520 -1.245 20 0 HAADLP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CCCO1 ZINC000584015206 1070874649 /nfs/dbraw/zinc/87/46/49/1070874649.db2.gz WFCLCFIYHUWZTO-IAGOWNOFSA-N 2 2 400.520 -1.245 20 0 HAADLP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CCCO1 ZINC000584015207 1070874273 /nfs/dbraw/zinc/87/42/73/1070874273.db2.gz WFCLCFIYHUWZTO-IRXDYDNUSA-N 2 2 400.520 -1.245 20 0 HAADLP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CCCO1 ZINC000584015207 1070874248 /nfs/dbraw/zinc/87/42/48/1070874248.db2.gz WFCLCFIYHUWZTO-IRXDYDNUSA-N 2 2 400.520 -1.245 20 0 HAADLP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CCCO1 ZINC000584015208 1070874147 /nfs/dbraw/zinc/87/41/47/1070874147.db2.gz WFCLCFIYHUWZTO-SJORKVTESA-N 2 2 400.520 -1.245 20 0 HAADLP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CCCO1 ZINC000584015208 1070874125 /nfs/dbraw/zinc/87/41/25/1070874125.db2.gz WFCLCFIYHUWZTO-SJORKVTESA-N 2 2 400.520 -1.245 20 0 HAADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCC[C@H](CNS(N)(=O)=O)C2)C1 ZINC000588780203 1071377448 /nfs/dbraw/zinc/37/74/48/1071377448.db2.gz MPUXKMPCYRSLEQ-CVEARBPZSA-N 2 2 405.565 -1.036 20 0 HAADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCC[C@H](CNS(N)(=O)=O)C2)C1 ZINC000588780203 1071377436 /nfs/dbraw/zinc/37/74/36/1071377436.db2.gz MPUXKMPCYRSLEQ-CVEARBPZSA-N 2 2 405.565 -1.036 20 0 HAADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@H](CNS(N)(=O)=O)C2)C1 ZINC000588780203 1071377425 /nfs/dbraw/zinc/37/74/25/1071377425.db2.gz MPUXKMPCYRSLEQ-CVEARBPZSA-N 2 2 405.565 -1.036 20 0 HAADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@H](CNS(N)(=O)=O)C2)C1 ZINC000588780203 1071377414 /nfs/dbraw/zinc/37/74/14/1071377414.db2.gz MPUXKMPCYRSLEQ-CVEARBPZSA-N 2 2 405.565 -1.036 20 0 HAADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)C1 ZINC000588780204 1071377345 /nfs/dbraw/zinc/37/73/45/1071377345.db2.gz MPUXKMPCYRSLEQ-HOTGVXAUSA-N 2 2 405.565 -1.036 20 0 HAADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)C1 ZINC000588780204 1071377339 /nfs/dbraw/zinc/37/73/39/1071377339.db2.gz MPUXKMPCYRSLEQ-HOTGVXAUSA-N 2 2 405.565 -1.036 20 0 HAADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@@H](CNS(N)(=O)=O)C2)C1 ZINC000588780204 1071377324 /nfs/dbraw/zinc/37/73/24/1071377324.db2.gz MPUXKMPCYRSLEQ-HOTGVXAUSA-N 2 2 405.565 -1.036 20 0 HAADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@@H](CNS(N)(=O)=O)C2)C1 ZINC000588780204 1071377312 /nfs/dbraw/zinc/37/73/12/1071377312.db2.gz MPUXKMPCYRSLEQ-HOTGVXAUSA-N 2 2 405.565 -1.036 20 0 HAADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@H](CNS(N)(=O)=O)C2)C1 ZINC000588780205 1071377925 /nfs/dbraw/zinc/37/79/25/1071377925.db2.gz MPUXKMPCYRSLEQ-HZPDHXFCSA-N 2 2 405.565 -1.036 20 0 HAADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@H](CNS(N)(=O)=O)C2)C1 ZINC000588780205 1071377914 /nfs/dbraw/zinc/37/79/14/1071377914.db2.gz MPUXKMPCYRSLEQ-HZPDHXFCSA-N 2 2 405.565 -1.036 20 0 HAADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H](CNS(N)(=O)=O)C2)C1 ZINC000588780205 1071377905 /nfs/dbraw/zinc/37/79/05/1071377905.db2.gz MPUXKMPCYRSLEQ-HZPDHXFCSA-N 2 2 405.565 -1.036 20 0 HAADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H](CNS(N)(=O)=O)C2)C1 ZINC000588780205 1071377892 /nfs/dbraw/zinc/37/78/92/1071377892.db2.gz MPUXKMPCYRSLEQ-HZPDHXFCSA-N 2 2 405.565 -1.036 20 0 HAADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)C1 ZINC000588780206 1071377529 /nfs/dbraw/zinc/37/75/29/1071377529.db2.gz MPUXKMPCYRSLEQ-JKSUJKDBSA-N 2 2 405.565 -1.036 20 0 HAADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)C1 ZINC000588780206 1071377518 /nfs/dbraw/zinc/37/75/18/1071377518.db2.gz MPUXKMPCYRSLEQ-JKSUJKDBSA-N 2 2 405.565 -1.036 20 0 HAADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H](CNS(N)(=O)=O)C2)C1 ZINC000588780206 1071377503 /nfs/dbraw/zinc/37/75/03/1071377503.db2.gz MPUXKMPCYRSLEQ-JKSUJKDBSA-N 2 2 405.565 -1.036 20 0 HAADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H](CNS(N)(=O)=O)C2)C1 ZINC000588780206 1071377493 /nfs/dbraw/zinc/37/74/93/1071377493.db2.gz MPUXKMPCYRSLEQ-JKSUJKDBSA-N 2 2 405.565 -1.036 20 0 HAADLP COCC[N@@H+](C)CCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000588982815 1070892439 /nfs/dbraw/zinc/89/24/39/1070892439.db2.gz TVZFGFYWCUYQLH-UHFFFAOYSA-N 2 2 406.553 -1.616 20 0 HAADLP COCC[N@H+](C)CCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000588982815 1070892424 /nfs/dbraw/zinc/89/24/24/1070892424.db2.gz TVZFGFYWCUYQLH-UHFFFAOYSA-N 2 2 406.553 -1.616 20 0 HAADLP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000590315735 1071383144 /nfs/dbraw/zinc/38/31/44/1071383144.db2.gz GAAOBSKRRFOQDZ-DLBZAZTESA-N 2 2 409.531 -1.129 20 0 HAADLP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000590315735 1071383129 /nfs/dbraw/zinc/38/31/29/1071383129.db2.gz GAAOBSKRRFOQDZ-DLBZAZTESA-N 2 2 409.531 -1.129 20 0 HAADLP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000590315736 1071382965 /nfs/dbraw/zinc/38/29/65/1071382965.db2.gz GAAOBSKRRFOQDZ-IAGOWNOFSA-N 2 2 409.531 -1.129 20 0 HAADLP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000590315736 1071382949 /nfs/dbraw/zinc/38/29/49/1071382949.db2.gz GAAOBSKRRFOQDZ-IAGOWNOFSA-N 2 2 409.531 -1.129 20 0 HAADLP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000590315737 1071382853 /nfs/dbraw/zinc/38/28/53/1071382853.db2.gz GAAOBSKRRFOQDZ-IRXDYDNUSA-N 2 2 409.531 -1.129 20 0 HAADLP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000590315737 1071382838 /nfs/dbraw/zinc/38/28/38/1071382838.db2.gz GAAOBSKRRFOQDZ-IRXDYDNUSA-N 2 2 409.531 -1.129 20 0 HAADLP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000590315738 1071383173 /nfs/dbraw/zinc/38/31/73/1071383173.db2.gz GAAOBSKRRFOQDZ-SJORKVTESA-N 2 2 409.531 -1.129 20 0 HAADLP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000590315738 1071383170 /nfs/dbraw/zinc/38/31/70/1071383170.db2.gz GAAOBSKRRFOQDZ-SJORKVTESA-N 2 2 409.531 -1.129 20 0 HAADLP CN(C(=O)Cn1ccc(=O)[nH]c1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000592086070 1071392437 /nfs/dbraw/zinc/39/24/37/1071392437.db2.gz HTYOZNDFZCNQFP-UHFFFAOYSA-N 2 2 406.487 -1.354 20 0 HAADLP CN(C(=O)CN(C)S(C)(=O)=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000592087058 1071392375 /nfs/dbraw/zinc/39/23/75/1071392375.db2.gz ZWABRWBYDTWMOD-UHFFFAOYSA-N 2 2 403.549 -1.425 20 0 HAADLP Cn1c2ncn(CC(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)c2c(=O)n(C)c1=O ZINC000602200730 1071400356 /nfs/dbraw/zinc/40/03/56/1071400356.db2.gz NRRGYCNKXXDRSO-CYBMUJFWSA-N 2 2 403.487 -1.282 20 0 HAADLP Cn1c2ncn(CC(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)c2c(=O)n(C)c1=O ZINC000602200730 1071400350 /nfs/dbraw/zinc/40/03/50/1071400350.db2.gz NRRGYCNKXXDRSO-CYBMUJFWSA-N 2 2 403.487 -1.282 20 0 HAADLP Cn1c2ncn(CC(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)c2c(=O)n(C)c1=O ZINC000602200742 1071400108 /nfs/dbraw/zinc/40/01/08/1071400108.db2.gz NRRGYCNKXXDRSO-ZDUSSCGKSA-N 2 2 403.487 -1.282 20 0 HAADLP Cn1c2ncn(CC(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)c2c(=O)n(C)c1=O ZINC000602200742 1071400104 /nfs/dbraw/zinc/40/01/04/1071400104.db2.gz NRRGYCNKXXDRSO-ZDUSSCGKSA-N 2 2 403.487 -1.282 20 0 HAADLP Cn1cnc2c1c(=O)n(CC(=O)N[C@@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)c(=O)n2C ZINC000602201157 1071400294 /nfs/dbraw/zinc/40/02/94/1071400294.db2.gz JVMWBDUVXGDDTR-CYBMUJFWSA-N 2 2 403.487 -1.282 20 0 HAADLP Cn1cnc2c1c(=O)n(CC(=O)N[C@@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)c(=O)n2C ZINC000602201157 1071400286 /nfs/dbraw/zinc/40/02/86/1071400286.db2.gz JVMWBDUVXGDDTR-CYBMUJFWSA-N 2 2 403.487 -1.282 20 0 HAADLP Cn1cnc2c1c(=O)n(CC(=O)N[C@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)c(=O)n2C ZINC000602201158 1071400224 /nfs/dbraw/zinc/40/02/24/1071400224.db2.gz JVMWBDUVXGDDTR-ZDUSSCGKSA-N 2 2 403.487 -1.282 20 0 HAADLP Cn1cnc2c1c(=O)n(CC(=O)N[C@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)c(=O)n2C ZINC000602201158 1071400219 /nfs/dbraw/zinc/40/02/19/1071400219.db2.gz JVMWBDUVXGDDTR-ZDUSSCGKSA-N 2 2 403.487 -1.282 20 0 HAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCN(C(=O)Cn4cnnn4)CC3)C2)CC1 ZINC000604209202 1071407137 /nfs/dbraw/zinc/40/71/37/1071407137.db2.gz MGOMYJRSHGJOJJ-HNNXBMFYSA-N 2 2 405.507 -1.305 20 0 HAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCN(C(=O)Cn4cnnn4)CC3)C2)CC1 ZINC000604209202 1071407133 /nfs/dbraw/zinc/40/71/33/1071407133.db2.gz MGOMYJRSHGJOJJ-HNNXBMFYSA-N 2 2 405.507 -1.305 20 0 HAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCN(C(=O)Cn4cnnn4)CC3)C2)CC1 ZINC000604209217 1071407104 /nfs/dbraw/zinc/40/71/04/1071407104.db2.gz MGOMYJRSHGJOJJ-OAHLLOKOSA-N 2 2 405.507 -1.305 20 0 HAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCN(C(=O)Cn4cnnn4)CC3)C2)CC1 ZINC000604209217 1071407099 /nfs/dbraw/zinc/40/70/99/1071407099.db2.gz MGOMYJRSHGJOJJ-OAHLLOKOSA-N 2 2 405.507 -1.305 20 0 HAADLP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000604373505 1071408034 /nfs/dbraw/zinc/40/80/34/1071408034.db2.gz UFZNIGUDNCZLSR-MOPGFXCFSA-N 2 2 423.558 -1.310 20 0 HAADLP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000604373505 1071408028 /nfs/dbraw/zinc/40/80/28/1071408028.db2.gz UFZNIGUDNCZLSR-MOPGFXCFSA-N 2 2 423.558 -1.310 20 0 HAADLP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000604373506 1071408061 /nfs/dbraw/zinc/40/80/61/1071408061.db2.gz UFZNIGUDNCZLSR-OALUTQOASA-N 2 2 423.558 -1.310 20 0 HAADLP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000604373506 1071408057 /nfs/dbraw/zinc/40/80/57/1071408057.db2.gz UFZNIGUDNCZLSR-OALUTQOASA-N 2 2 423.558 -1.310 20 0 HAADLP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000604373507 1071407955 /nfs/dbraw/zinc/40/79/55/1071407955.db2.gz UFZNIGUDNCZLSR-RBUKOAKNSA-N 2 2 423.558 -1.310 20 0 HAADLP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000604373507 1071407949 /nfs/dbraw/zinc/40/79/49/1071407949.db2.gz UFZNIGUDNCZLSR-RBUKOAKNSA-N 2 2 423.558 -1.310 20 0 HAADLP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000604373508 1071408102 /nfs/dbraw/zinc/40/81/02/1071408102.db2.gz UFZNIGUDNCZLSR-RTBURBONSA-N 2 2 423.558 -1.310 20 0 HAADLP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000604373508 1071408098 /nfs/dbraw/zinc/40/80/98/1071408098.db2.gz UFZNIGUDNCZLSR-RTBURBONSA-N 2 2 423.558 -1.310 20 0 HAADLP COCC[N@H+]1CC[C@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000605886465 1071416414 /nfs/dbraw/zinc/41/64/14/1071416414.db2.gz STVONAXLJVAJML-INIZCTEOSA-N 2 2 418.564 -1.474 20 0 HAADLP COCC[N@@H+]1CC[C@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000605886465 1071416412 /nfs/dbraw/zinc/41/64/12/1071416412.db2.gz STVONAXLJVAJML-INIZCTEOSA-N 2 2 418.564 -1.474 20 0 HAADLP COCC[N@H+]1CC[C@@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000605886466 1071416287 /nfs/dbraw/zinc/41/62/87/1071416287.db2.gz STVONAXLJVAJML-MRXNPFEDSA-N 2 2 418.564 -1.474 20 0 HAADLP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000605886466 1071416279 /nfs/dbraw/zinc/41/62/79/1071416279.db2.gz STVONAXLJVAJML-MRXNPFEDSA-N 2 2 418.564 -1.474 20 0 HAADLP C[NH+]1CCN(CC(=O)NC[C@H]2CSCCN2C(=O)CN2CC[NH+](C)CC2)CC1 ZINC000645956197 1072047293 /nfs/dbraw/zinc/04/72/93/1072047293.db2.gz VPRNLRVIOOHGBX-KRWDZBQOSA-N 2 2 412.604 -1.459 20 0 HAADLP C[NH+]1CCN(CC(=O)NC[C@@H]2CSCCN2C(=O)CN2CC[NH+](C)CC2)CC1 ZINC000645956199 1072047162 /nfs/dbraw/zinc/04/71/62/1072047162.db2.gz VPRNLRVIOOHGBX-QGZVFWFLSA-N 2 2 412.604 -1.459 20 0 HAADLP C[C@H](NC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000670836917 1071543097 /nfs/dbraw/zinc/54/30/97/1071543097.db2.gz SRFJZFAMVZKUOU-DLBZAZTESA-N 2 2 419.530 -1.060 20 0 HAADLP C[C@H](NC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000670836917 1071543086 /nfs/dbraw/zinc/54/30/86/1071543086.db2.gz SRFJZFAMVZKUOU-DLBZAZTESA-N 2 2 419.530 -1.060 20 0 HAADLP C[C@@H](NC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000670836918 1071543242 /nfs/dbraw/zinc/54/32/42/1071543242.db2.gz SRFJZFAMVZKUOU-IAGOWNOFSA-N 2 2 419.530 -1.060 20 0 HAADLP C[C@@H](NC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000670836918 1071543235 /nfs/dbraw/zinc/54/32/35/1071543235.db2.gz SRFJZFAMVZKUOU-IAGOWNOFSA-N 2 2 419.530 -1.060 20 0 HAADLP C[C@H](NC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000670836919 1071543016 /nfs/dbraw/zinc/54/30/16/1071543016.db2.gz SRFJZFAMVZKUOU-IRXDYDNUSA-N 2 2 419.530 -1.060 20 0 HAADLP C[C@H](NC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000670836919 1071543011 /nfs/dbraw/zinc/54/30/11/1071543011.db2.gz SRFJZFAMVZKUOU-IRXDYDNUSA-N 2 2 419.530 -1.060 20 0 HAADLP C[C@@H](NC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000670836920 1071543268 /nfs/dbraw/zinc/54/32/68/1071543268.db2.gz SRFJZFAMVZKUOU-SJORKVTESA-N 2 2 419.530 -1.060 20 0 HAADLP C[C@@H](NC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000670836920 1071543258 /nfs/dbraw/zinc/54/32/58/1071543258.db2.gz SRFJZFAMVZKUOU-SJORKVTESA-N 2 2 419.530 -1.060 20 0 HAADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)C2)CC1 ZINC000671981540 1071584146 /nfs/dbraw/zinc/58/41/46/1071584146.db2.gz QPJDSEVATVTIGX-DLBZAZTESA-N 3 2 422.574 -1.025 20 0 HAADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)C2)CC1 ZINC000671981540 1071584139 /nfs/dbraw/zinc/58/41/39/1071584139.db2.gz QPJDSEVATVTIGX-DLBZAZTESA-N 3 2 422.574 -1.025 20 0 HAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCC[NH+]3CCC[C@H](C(N)=O)C3)C2)CC1 ZINC000671981540 1071584134 /nfs/dbraw/zinc/58/41/34/1071584134.db2.gz QPJDSEVATVTIGX-DLBZAZTESA-N 3 2 422.574 -1.025 20 0 HAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCC[NH+]3CCC[C@H](C(N)=O)C3)C2)CC1 ZINC000671981540 1071584129 /nfs/dbraw/zinc/58/41/29/1071584129.db2.gz QPJDSEVATVTIGX-DLBZAZTESA-N 3 2 422.574 -1.025 20 0 HAADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)C2)CC1 ZINC000671981541 1071584066 /nfs/dbraw/zinc/58/40/66/1071584066.db2.gz QPJDSEVATVTIGX-IAGOWNOFSA-N 3 2 422.574 -1.025 20 0 HAADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)C2)CC1 ZINC000671981541 1071584060 /nfs/dbraw/zinc/58/40/60/1071584060.db2.gz QPJDSEVATVTIGX-IAGOWNOFSA-N 3 2 422.574 -1.025 20 0 HAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCC[NH+]3CCC[C@@H](C(N)=O)C3)C2)CC1 ZINC000671981541 1071584054 /nfs/dbraw/zinc/58/40/54/1071584054.db2.gz QPJDSEVATVTIGX-IAGOWNOFSA-N 3 2 422.574 -1.025 20 0 HAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCC[NH+]3CCC[C@@H](C(N)=O)C3)C2)CC1 ZINC000671981541 1071584047 /nfs/dbraw/zinc/58/40/47/1071584047.db2.gz QPJDSEVATVTIGX-IAGOWNOFSA-N 3 2 422.574 -1.025 20 0 HAADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)C2)CC1 ZINC000671981542 1071583873 /nfs/dbraw/zinc/58/38/73/1071583873.db2.gz QPJDSEVATVTIGX-IRXDYDNUSA-N 3 2 422.574 -1.025 20 0 HAADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)C2)CC1 ZINC000671981542 1071583870 /nfs/dbraw/zinc/58/38/70/1071583870.db2.gz QPJDSEVATVTIGX-IRXDYDNUSA-N 3 2 422.574 -1.025 20 0 HAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCC[NH+]3CCC[C@H](C(N)=O)C3)C2)CC1 ZINC000671981542 1071583867 /nfs/dbraw/zinc/58/38/67/1071583867.db2.gz QPJDSEVATVTIGX-IRXDYDNUSA-N 3 2 422.574 -1.025 20 0 HAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCC[NH+]3CCC[C@H](C(N)=O)C3)C2)CC1 ZINC000671981542 1071583862 /nfs/dbraw/zinc/58/38/62/1071583862.db2.gz QPJDSEVATVTIGX-IRXDYDNUSA-N 3 2 422.574 -1.025 20 0 HAADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)C2)CC1 ZINC000671981543 1071584201 /nfs/dbraw/zinc/58/42/01/1071584201.db2.gz QPJDSEVATVTIGX-SJORKVTESA-N 3 2 422.574 -1.025 20 0 HAADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)C2)CC1 ZINC000671981543 1071584195 /nfs/dbraw/zinc/58/41/95/1071584195.db2.gz QPJDSEVATVTIGX-SJORKVTESA-N 3 2 422.574 -1.025 20 0 HAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCC[NH+]3CCC[C@@H](C(N)=O)C3)C2)CC1 ZINC000671981543 1071584191 /nfs/dbraw/zinc/58/41/91/1071584191.db2.gz QPJDSEVATVTIGX-SJORKVTESA-N 3 2 422.574 -1.025 20 0 HAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCC[NH+]3CCC[C@@H](C(N)=O)C3)C2)CC1 ZINC000671981543 1071584185 /nfs/dbraw/zinc/58/41/85/1071584185.db2.gz QPJDSEVATVTIGX-SJORKVTESA-N 3 2 422.574 -1.025 20 0 HAADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000672513621 1071593230 /nfs/dbraw/zinc/59/32/30/1071593230.db2.gz IRFMFVBKZOIQHE-KRWDZBQOSA-N 2 2 409.531 -1.022 20 0 HAADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000672513622 1071593210 /nfs/dbraw/zinc/59/32/10/1071593210.db2.gz IRFMFVBKZOIQHE-QGZVFWFLSA-N 2 2 409.531 -1.022 20 0 HAADLP CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672637275 1071593700 /nfs/dbraw/zinc/59/37/00/1071593700.db2.gz CTXUUGFHLVGSGJ-INIZCTEOSA-N 2 2 408.547 -1.449 20 0 HAADLP CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672637275 1071593694 /nfs/dbraw/zinc/59/36/94/1071593694.db2.gz CTXUUGFHLVGSGJ-INIZCTEOSA-N 2 2 408.547 -1.449 20 0 HAADLP CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672637276 1071594480 /nfs/dbraw/zinc/59/44/80/1071594480.db2.gz CTXUUGFHLVGSGJ-MRXNPFEDSA-N 2 2 408.547 -1.449 20 0 HAADLP CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672637276 1071594474 /nfs/dbraw/zinc/59/44/74/1071594474.db2.gz CTXUUGFHLVGSGJ-MRXNPFEDSA-N 2 2 408.547 -1.449 20 0 HAADLP CC(C)NC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672637493 1071593768 /nfs/dbraw/zinc/59/37/68/1071593768.db2.gz ILPZFLFFGURDRF-KRWDZBQOSA-N 2 2 422.574 -1.060 20 0 HAADLP CC(C)NC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672637493 1071593762 /nfs/dbraw/zinc/59/37/62/1071593762.db2.gz ILPZFLFFGURDRF-KRWDZBQOSA-N 2 2 422.574 -1.060 20 0 HAADLP CC(C)NC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672637494 1071593914 /nfs/dbraw/zinc/59/39/14/1071593914.db2.gz ILPZFLFFGURDRF-QGZVFWFLSA-N 2 2 422.574 -1.060 20 0 HAADLP CC(C)NC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672637494 1071593904 /nfs/dbraw/zinc/59/39/04/1071593904.db2.gz ILPZFLFFGURDRF-QGZVFWFLSA-N 2 2 422.574 -1.060 20 0 HAADLP CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672637591 1071594796 /nfs/dbraw/zinc/59/47/96/1071594796.db2.gz KJSMMPSRCLGKPR-GDBMZVCRSA-N 2 2 415.560 -1.189 20 0 HAADLP CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672637591 1071594789 /nfs/dbraw/zinc/59/47/89/1071594789.db2.gz KJSMMPSRCLGKPR-GDBMZVCRSA-N 2 2 415.560 -1.189 20 0 HAADLP CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672637592 1071594933 /nfs/dbraw/zinc/59/49/33/1071594933.db2.gz KJSMMPSRCLGKPR-GOEBONIOSA-N 2 2 415.560 -1.189 20 0 HAADLP CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672637592 1071594925 /nfs/dbraw/zinc/59/49/25/1071594925.db2.gz KJSMMPSRCLGKPR-GOEBONIOSA-N 2 2 415.560 -1.189 20 0 HAADLP CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672637593 1071594512 /nfs/dbraw/zinc/59/45/12/1071594512.db2.gz KJSMMPSRCLGKPR-HOCLYGCPSA-N 2 2 415.560 -1.189 20 0 HAADLP CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672637593 1071594506 /nfs/dbraw/zinc/59/45/06/1071594506.db2.gz KJSMMPSRCLGKPR-HOCLYGCPSA-N 2 2 415.560 -1.189 20 0 HAADLP CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672637594 1071594267 /nfs/dbraw/zinc/59/42/67/1071594267.db2.gz KJSMMPSRCLGKPR-ZBFHGGJFSA-N 2 2 415.560 -1.189 20 0 HAADLP CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672637594 1071594262 /nfs/dbraw/zinc/59/42/62/1071594262.db2.gz KJSMMPSRCLGKPR-ZBFHGGJFSA-N 2 2 415.560 -1.189 20 0 HAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN(C(C)(C)C(N)=O)CC3)C2)CC1 ZINC000672638232 1071594624 /nfs/dbraw/zinc/59/46/24/1071594624.db2.gz RCVGSEGMSVUVME-HNNXBMFYSA-N 2 2 408.547 -1.321 20 0 HAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN(C(C)(C)C(N)=O)CC3)C2)CC1 ZINC000672638232 1071594619 /nfs/dbraw/zinc/59/46/19/1071594619.db2.gz RCVGSEGMSVUVME-HNNXBMFYSA-N 2 2 408.547 -1.321 20 0 HAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(C(C)(C)C(N)=O)CC3)C2)CC1 ZINC000672638234 1071594552 /nfs/dbraw/zinc/59/45/52/1071594552.db2.gz RCVGSEGMSVUVME-OAHLLOKOSA-N 2 2 408.547 -1.321 20 0 HAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(C(C)(C)C(N)=O)CC3)C2)CC1 ZINC000672638234 1071594544 /nfs/dbraw/zinc/59/45/44/1071594544.db2.gz RCVGSEGMSVUVME-OAHLLOKOSA-N 2 2 408.547 -1.321 20 0 HAADLP COCCN1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000672638520 1071594763 /nfs/dbraw/zinc/59/47/63/1071594763.db2.gz JAIATEBYRAJSBS-INIZCTEOSA-N 2 2 409.531 -1.022 20 0 HAADLP COCCN1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000672638520 1071594758 /nfs/dbraw/zinc/59/47/58/1071594758.db2.gz JAIATEBYRAJSBS-INIZCTEOSA-N 2 2 409.531 -1.022 20 0 HAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN(CC(=O)NC4CC4)CC3)C2)CC1 ZINC000672639030 1071594403 /nfs/dbraw/zinc/59/44/03/1071594403.db2.gz XVHVNZOIHZNJDX-KRWDZBQOSA-N 2 2 420.558 -1.306 20 0 HAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN(CC(=O)NC4CC4)CC3)C2)CC1 ZINC000672639030 1071594393 /nfs/dbraw/zinc/59/43/93/1071594393.db2.gz XVHVNZOIHZNJDX-KRWDZBQOSA-N 2 2 420.558 -1.306 20 0 HAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(CC(=O)NC4CC4)CC3)C2)CC1 ZINC000672639031 1071594877 /nfs/dbraw/zinc/59/48/77/1071594877.db2.gz XVHVNZOIHZNJDX-QGZVFWFLSA-N 2 2 420.558 -1.306 20 0 HAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(CC(=O)NC4CC4)CC3)C2)CC1 ZINC000672639031 1071594866 /nfs/dbraw/zinc/59/48/66/1071594866.db2.gz XVHVNZOIHZNJDX-QGZVFWFLSA-N 2 2 420.558 -1.306 20 0 HAADLP COCCN1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000672639153 1071594691 /nfs/dbraw/zinc/59/46/91/1071594691.db2.gz JAIATEBYRAJSBS-MRXNPFEDSA-N 2 2 409.531 -1.022 20 0 HAADLP COCCN1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000672639153 1071594685 /nfs/dbraw/zinc/59/46/85/1071594685.db2.gz JAIATEBYRAJSBS-MRXNPFEDSA-N 2 2 409.531 -1.022 20 0 HAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN(S(C)(=O)=O)CC3)C2)CC1 ZINC000672639882 1071595957 /nfs/dbraw/zinc/59/59/57/1071595957.db2.gz OEGRSOYIAAVLGN-AWEZNQCLSA-N 2 2 401.533 -1.625 20 0 HAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN(S(C)(=O)=O)CC3)C2)CC1 ZINC000672639882 1071595951 /nfs/dbraw/zinc/59/59/51/1071595951.db2.gz OEGRSOYIAAVLGN-AWEZNQCLSA-N 2 2 401.533 -1.625 20 0 HAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(S(C)(=O)=O)CC3)C2)CC1 ZINC000672639883 1071595355 /nfs/dbraw/zinc/59/53/55/1071595355.db2.gz OEGRSOYIAAVLGN-CQSZACIVSA-N 2 2 401.533 -1.625 20 0 HAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(S(C)(=O)=O)CC3)C2)CC1 ZINC000672639883 1071595346 /nfs/dbraw/zinc/59/53/46/1071595346.db2.gz OEGRSOYIAAVLGN-CQSZACIVSA-N 2 2 401.533 -1.625 20 0 HAADLP Cn1cc(N2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CC2=O)cn1 ZINC000672640364 1071594831 /nfs/dbraw/zinc/59/48/31/1071594831.db2.gz BQEGNFPYXVJWHN-HNNXBMFYSA-N 2 2 417.514 -1.120 20 0 HAADLP Cn1cc(N2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CC2=O)cn1 ZINC000672640364 1071594824 /nfs/dbraw/zinc/59/48/24/1071594824.db2.gz BQEGNFPYXVJWHN-HNNXBMFYSA-N 2 2 417.514 -1.120 20 0 HAADLP Cn1cc(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CC2=O)cn1 ZINC000672640365 1071594445 /nfs/dbraw/zinc/59/44/45/1071594445.db2.gz BQEGNFPYXVJWHN-OAHLLOKOSA-N 2 2 417.514 -1.120 20 0 HAADLP Cn1cc(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CC2=O)cn1 ZINC000672640365 1071594436 /nfs/dbraw/zinc/59/44/36/1071594436.db2.gz BQEGNFPYXVJWHN-OAHLLOKOSA-N 2 2 417.514 -1.120 20 0 HAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3CCCN3S(C)(=O)=O)C2)CC1 ZINC000672640471 1071594661 /nfs/dbraw/zinc/59/46/61/1071594661.db2.gz JHHLGGFOIZWRPD-GDBMZVCRSA-N 2 2 415.560 -1.189 20 0 HAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3CCCN3S(C)(=O)=O)C2)CC1 ZINC000672640471 1071594656 /nfs/dbraw/zinc/59/46/56/1071594656.db2.gz JHHLGGFOIZWRPD-GDBMZVCRSA-N 2 2 415.560 -1.189 20 0 HAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]3CCCN3S(C)(=O)=O)C2)CC1 ZINC000672640472 1071594725 /nfs/dbraw/zinc/59/47/25/1071594725.db2.gz JHHLGGFOIZWRPD-GOEBONIOSA-N 2 2 415.560 -1.189 20 0 HAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]3CCCN3S(C)(=O)=O)C2)CC1 ZINC000672640472 1071594717 /nfs/dbraw/zinc/59/47/17/1071594717.db2.gz JHHLGGFOIZWRPD-GOEBONIOSA-N 2 2 415.560 -1.189 20 0 HAADLP CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672641586 1071595862 /nfs/dbraw/zinc/59/58/62/1071595862.db2.gz RPAKPHFFUVFWBR-GDBMZVCRSA-N 2 2 415.560 -1.189 20 0 HAADLP CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672641586 1071595855 /nfs/dbraw/zinc/59/58/55/1071595855.db2.gz RPAKPHFFUVFWBR-GDBMZVCRSA-N 2 2 415.560 -1.189 20 0 HAADLP CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672641587 1071595813 /nfs/dbraw/zinc/59/58/13/1071595813.db2.gz RPAKPHFFUVFWBR-GOEBONIOSA-N 2 2 415.560 -1.189 20 0 HAADLP CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672641587 1071595807 /nfs/dbraw/zinc/59/58/07/1071595807.db2.gz RPAKPHFFUVFWBR-GOEBONIOSA-N 2 2 415.560 -1.189 20 0 HAADLP CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672641588 1071595312 /nfs/dbraw/zinc/59/53/12/1071595312.db2.gz RPAKPHFFUVFWBR-HOCLYGCPSA-N 2 2 415.560 -1.189 20 0 HAADLP CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672641588 1071595306 /nfs/dbraw/zinc/59/53/06/1071595306.db2.gz RPAKPHFFUVFWBR-HOCLYGCPSA-N 2 2 415.560 -1.189 20 0 HAADLP CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672641589 1071595239 /nfs/dbraw/zinc/59/52/39/1071595239.db2.gz RPAKPHFFUVFWBR-ZBFHGGJFSA-N 2 2 415.560 -1.189 20 0 HAADLP CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672641589 1071595231 /nfs/dbraw/zinc/59/52/31/1071595231.db2.gz RPAKPHFFUVFWBR-ZBFHGGJFSA-N 2 2 415.560 -1.189 20 0 HAADLP CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642886 1071595431 /nfs/dbraw/zinc/59/54/31/1071595431.db2.gz XQLHQNGWAKUROV-GDBMZVCRSA-N 2 2 415.560 -1.189 20 0 HAADLP CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642886 1071595423 /nfs/dbraw/zinc/59/54/23/1071595423.db2.gz XQLHQNGWAKUROV-GDBMZVCRSA-N 2 2 415.560 -1.189 20 0 HAADLP CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642888 1071595705 /nfs/dbraw/zinc/59/57/05/1071595705.db2.gz XQLHQNGWAKUROV-GOEBONIOSA-N 2 2 415.560 -1.189 20 0 HAADLP CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642888 1071595693 /nfs/dbraw/zinc/59/56/93/1071595693.db2.gz XQLHQNGWAKUROV-GOEBONIOSA-N 2 2 415.560 -1.189 20 0 HAADLP CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642890 1071595589 /nfs/dbraw/zinc/59/55/89/1071595589.db2.gz XQLHQNGWAKUROV-HOCLYGCPSA-N 2 2 415.560 -1.189 20 0 HAADLP CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642890 1071595580 /nfs/dbraw/zinc/59/55/80/1071595580.db2.gz XQLHQNGWAKUROV-HOCLYGCPSA-N 2 2 415.560 -1.189 20 0 HAADLP CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642892 1071595764 /nfs/dbraw/zinc/59/57/64/1071595764.db2.gz XQLHQNGWAKUROV-ZBFHGGJFSA-N 2 2 415.560 -1.189 20 0 HAADLP CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642892 1071595752 /nfs/dbraw/zinc/59/57/52/1071595752.db2.gz XQLHQNGWAKUROV-ZBFHGGJFSA-N 2 2 415.560 -1.189 20 0 HAADLP Cn1cc(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C2=O)cn1 ZINC000672643425 1071595473 /nfs/dbraw/zinc/59/54/73/1071595473.db2.gz XZJRPTYCGDQPOG-PBHICJAKSA-N 2 2 417.514 -1.074 20 0 HAADLP Cn1cc(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C2=O)cn1 ZINC000672643425 1071595468 /nfs/dbraw/zinc/59/54/68/1071595468.db2.gz XZJRPTYCGDQPOG-PBHICJAKSA-N 2 2 417.514 -1.074 20 0 HAADLP Cn1cc(N2CC[C@@H](NC(=O)C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C2=O)cn1 ZINC000672643426 1071595392 /nfs/dbraw/zinc/59/53/92/1071595392.db2.gz XZJRPTYCGDQPOG-RHSMWYFYSA-N 2 2 417.514 -1.074 20 0 HAADLP Cn1cc(N2CC[C@@H](NC(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C2=O)cn1 ZINC000672643426 1071595386 /nfs/dbraw/zinc/59/53/86/1071595386.db2.gz XZJRPTYCGDQPOG-RHSMWYFYSA-N 2 2 417.514 -1.074 20 0 HAADLP Cn1cc(N2CC[C@@H](NC(=O)C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C2=O)cn1 ZINC000672643427 1071595282 /nfs/dbraw/zinc/59/52/82/1071595282.db2.gz XZJRPTYCGDQPOG-WMLDXEAASA-N 2 2 417.514 -1.074 20 0 HAADLP Cn1cc(N2CC[C@@H](NC(=O)C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C2=O)cn1 ZINC000672643427 1071595276 /nfs/dbraw/zinc/59/52/76/1071595276.db2.gz XZJRPTYCGDQPOG-WMLDXEAASA-N 2 2 417.514 -1.074 20 0 HAADLP Cn1cc(N2CC[C@H](NC(=O)C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C2=O)cn1 ZINC000672643428 1071595927 /nfs/dbraw/zinc/59/59/27/1071595927.db2.gz XZJRPTYCGDQPOG-YOEHRIQHSA-N 2 2 417.514 -1.074 20 0 HAADLP Cn1cc(N2CC[C@H](NC(=O)C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C2=O)cn1 ZINC000672643428 1071595921 /nfs/dbraw/zinc/59/59/21/1071595921.db2.gz XZJRPTYCGDQPOG-YOEHRIQHSA-N 2 2 417.514 -1.074 20 0 HAADLP C[NH+]1CCN(CC(=O)N2C[C@@H]3CCCN(C(=O)CN4CC[NH+](C)CC4)[C@@H]3C2)CC1 ZINC000673935574 1071609268 /nfs/dbraw/zinc/60/92/68/1071609268.db2.gz WPDMRHLAYBNRCC-RBUKOAKNSA-N 2 2 406.575 -1.069 20 0 HAADLP O=C(C[NH+]1C[C@H](O)C[C@H](O)C1)N1CCN(C(=O)C[N@@H+]2C[C@H](O)C[C@H](O)C2)CC1 ZINC000674498210 1071615827 /nfs/dbraw/zinc/61/58/27/1071615827.db2.gz OSEKCZGCMJMMHO-GEEKYZPCSA-N 2 2 400.476 -3.488 20 0 HAADLP O=C(C[NH+]1C[C@H](O)C[C@H](O)C1)N1CCN(C(=O)C[N@H+]2C[C@H](O)C[C@H](O)C2)CC1 ZINC000674498210 1071615821 /nfs/dbraw/zinc/61/58/21/1071615821.db2.gz OSEKCZGCMJMMHO-GEEKYZPCSA-N 2 2 400.476 -3.488 20 0 HAADLP CC(C)(CO)[NH+]1CCN(C(=O)COCC(=O)N2CC[NH+](C(C)(C)CO)CC2)CC1 ZINC000677646968 1072069879 /nfs/dbraw/zinc/06/98/79/1072069879.db2.gz FFUPUPUXTFLDSR-UHFFFAOYSA-N 2 2 414.547 -1.167 20 0 HAADLP CC1(C)CN(C(=O)COCC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC[NH+]1CCO ZINC000682009528 1072078904 /nfs/dbraw/zinc/07/89/04/1072078904.db2.gz BFPZBKXPRLKUIJ-UHFFFAOYSA-N 2 2 414.547 -1.167 20 0 HAADLP CC1(C)CN(C(=O)COCC(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC[NH+]1CCO ZINC000682009528 1072078895 /nfs/dbraw/zinc/07/88/95/1072078895.db2.gz BFPZBKXPRLKUIJ-UHFFFAOYSA-N 2 2 414.547 -1.167 20 0 HAADLP NS(=O)(=O)N1CC[NH+](CCCCCC[NH+]2CCN(S(N)(=O)=O)CC2)CC1 ZINC000729814972 1071220858 /nfs/dbraw/zinc/22/08/58/1071220858.db2.gz LVEORDCAHVGCIP-UHFFFAOYSA-N 2 2 412.582 -1.811 20 0 HAADLP CN(C(=O)c1cn(C)c(=O)n(C)c1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000735046576 1071659209 /nfs/dbraw/zinc/65/92/09/1071659209.db2.gz VNYBQYVNPUFVIN-UHFFFAOYSA-N 2 2 420.514 -1.606 20 0 HAADLP OCCC[NH+]1CCN(c2nc(NC3CC3)nc(N3CC[NH+](CCCO)CC3)n2)CC1 ZINC000762192362 1071483193 /nfs/dbraw/zinc/48/31/93/1071483193.db2.gz CLAHPXCDZAJQCZ-UHFFFAOYSA-N 2 2 420.562 -1.123 20 0 HAADLP CN(C(=O)c1cn(C)c(=O)[nH]c1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001115998820 1072111858 /nfs/dbraw/zinc/11/18/58/1072111858.db2.gz RSAKXGMBDIUQFR-UHFFFAOYSA-N 2 2 406.487 -1.204 20 0 HAADLP CC(=O)N[C@@H](CC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1)C(N)=O ZINC001116183069 1072114194 /nfs/dbraw/zinc/11/41/94/1072114194.db2.gz ILBSKYVAYBTJEK-INIZCTEOSA-N 2 2 410.519 -1.937 20 0 HAADLP COC[C@H](CNC(=O)[C@H](C)N1CC[NH+](C)CC1)NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC001116707418 1072119784 /nfs/dbraw/zinc/11/97/84/1072119784.db2.gz WJUPTVMQLASZRY-BZSNNMDCSA-N 2 2 412.579 -1.494 20 0 HAADLP COC[C@H](CNC(=O)[C@H](C)N1CC[NH+](C)CC1)NC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC001116707419 1072119958 /nfs/dbraw/zinc/11/99/58/1072119958.db2.gz WJUPTVMQLASZRY-KSZLIROESA-N 2 2 412.579 -1.494 20 0 HAADLP COC[C@H](CNC(=O)[C@@H](C)N1CC[NH+](C)CC1)NC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC001116707420 1072119888 /nfs/dbraw/zinc/11/98/88/1072119888.db2.gz WJUPTVMQLASZRY-KURKYZTESA-N 2 2 412.579 -1.494 20 0 HAADLP COC[C@H](CNC(=O)[C@@H](C)N1CC[NH+](C)CC1)NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC001116707421 1072119857 /nfs/dbraw/zinc/11/98/57/1072119857.db2.gz WJUPTVMQLASZRY-SQNIBIBYSA-N 2 2 412.579 -1.494 20 0 HAADLP Cc1cn(CC(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)c(=O)[nH]c1=O ZINC001142314986 1072131971 /nfs/dbraw/zinc/13/19/71/1072131971.db2.gz BBTNSTDTBSOPBM-UHFFFAOYSA-N 2 2 420.514 -1.046 20 0 HAADLP Cc1cn(CC(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)c(=O)[nH]c1=O ZINC001142314986 1072131965 /nfs/dbraw/zinc/13/19/65/1072131965.db2.gz BBTNSTDTBSOPBM-UHFFFAOYSA-N 2 2 420.514 -1.046 20 0 HAADLP CC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001143031227 1072134798 /nfs/dbraw/zinc/13/47/98/1072134798.db2.gz WZYIQZJXFSVGQI-SJORKVTESA-N 2 2 409.531 -1.335 20 0 HAADLP CC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001143031227 1072134795 /nfs/dbraw/zinc/13/47/95/1072134795.db2.gz WZYIQZJXFSVGQI-SJORKVTESA-N 2 2 409.531 -1.335 20 0 HAADLP CN(C(=O)C1CN(S(C)(=O)=O)C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001144084657 1071738832 /nfs/dbraw/zinc/73/88/32/1071738832.db2.gz IYYLUJXKUBFNPZ-UHFFFAOYSA-N 2 2 415.560 -1.425 20 0 HAADLP CN(C)S(=O)(=O)CCC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001144085345 1071738970 /nfs/dbraw/zinc/73/89/70/1071738970.db2.gz SAYHBKMIXLVTQR-UHFFFAOYSA-N 2 2 417.576 -1.035 20 0 HAADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)CCCS(N)(=O)=O)CC2)C1=O ZINC001144588767 1071740920 /nfs/dbraw/zinc/74/09/20/1071740920.db2.gz CPPXFJBIHPXTGI-UHFFFAOYSA-N 2 2 403.549 -1.248 20 0 HAADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)CCCS(N)(=O)=O)CC2)C1=O ZINC001144588767 1071740915 /nfs/dbraw/zinc/74/09/15/1071740915.db2.gz CPPXFJBIHPXTGI-UHFFFAOYSA-N 2 2 403.549 -1.248 20 0 HAADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)C3=C[C@@H](O)[C@@H](O)[C@H](O)C3)CC2)C1=O ZINC001146617959 1071770705 /nfs/dbraw/zinc/77/07/05/1071770705.db2.gz DYGDIRUCVDQSPA-BRWVUGGUSA-N 2 2 410.515 -1.904 20 0 HAADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)C3=C[C@@H](O)[C@@H](O)[C@H](O)C3)CC2)C1=O ZINC001146617959 1071770690 /nfs/dbraw/zinc/77/06/90/1071770690.db2.gz DYGDIRUCVDQSPA-BRWVUGGUSA-N 2 2 410.515 -1.904 20 0 HAADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3cc4n(n3)CCNC4=O)CC2)C1=O ZINC001147543935 1071773382 /nfs/dbraw/zinc/77/33/82/1071773382.db2.gz PGQMNAZDVTYCSP-UHFFFAOYSA-N 2 2 417.514 -1.063 20 0 HAADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3cc4n(n3)CCNC4=O)CC2)C1=O ZINC001147543935 1071773371 /nfs/dbraw/zinc/77/33/71/1071773371.db2.gz PGQMNAZDVTYCSP-UHFFFAOYSA-N 2 2 417.514 -1.063 20 0 HAADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3nccnc3C(N)=O)CC2)C1=O ZINC001147753731 1071774755 /nfs/dbraw/zinc/77/47/55/1071774755.db2.gz XAHZQBCMCPIGOG-UHFFFAOYSA-N 2 2 403.487 -1.114 20 0 HAADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3nccnc3C(N)=O)CC2)C1=O ZINC001147753731 1071774748 /nfs/dbraw/zinc/77/47/48/1071774748.db2.gz XAHZQBCMCPIGOG-UHFFFAOYSA-N 2 2 403.487 -1.114 20 0 HAADLP Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)[C@@H]3C[C@H]([NH3+])C[NH2+]3)ccc12 ZINC001157364858 1072155086 /nfs/dbraw/zinc/15/50/86/1072155086.db2.gz LQZYWGIBQUXQCP-FZMZJTMJSA-N 2 2 401.423 -1.038 20 0 HAADLP Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)ccc12 ZINC001157364859 1072155025 /nfs/dbraw/zinc/15/50/25/1072155025.db2.gz LQZYWGIBQUXQCP-RISCZKNCSA-N 2 2 401.423 -1.038 20 0 HAADLP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC[NH+](C)CC1)C(=O)CF ZINC001157451243 1072156949 /nfs/dbraw/zinc/15/69/49/1072156949.db2.gz QKTWACOUCIWHPB-XEZPLFJOSA-N 2 2 401.483 -1.338 20 0 HAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC001158006690 1072159099 /nfs/dbraw/zinc/15/90/99/1072159099.db2.gz MWSFERRWPZDNPP-HRCADAONSA-N 2 2 408.455 -1.897 20 0 HAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC001158006691 1072159123 /nfs/dbraw/zinc/15/91/23/1072159123.db2.gz MWSFERRWPZDNPP-JYJNAYRXSA-N 2 2 408.455 -1.897 20 0 HAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)C1 ZINC001158680773 1072163494 /nfs/dbraw/zinc/16/34/94/1072163494.db2.gz FSIGBQOMTBLIEY-CBBWQLFWSA-N 2 2 422.511 -1.775 20 0 HAADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)C1 ZINC001158692478 1072164776 /nfs/dbraw/zinc/16/47/76/1072164776.db2.gz FSIGBQOMTBLIEY-ZQDZILKHSA-N 2 2 422.511 -1.775 20 0 HAADLP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCc2onc(Cn3cc[nH+]c3)c2C1)C(N)=O ZINC001158822385 1072167080 /nfs/dbraw/zinc/16/70/80/1072167080.db2.gz VNPBBUVCATZHHZ-WCQYABFASA-N 2 2 403.443 -1.098 20 0 HAADLP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001159073708 1072170611 /nfs/dbraw/zinc/17/06/11/1072170611.db2.gz ATTYTDGAFOWTIM-DOTOQJQBSA-N 2 2 418.498 -1.157 20 0 HAADLP CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001159073709 1072171503 /nfs/dbraw/zinc/17/15/03/1072171503.db2.gz ATTYTDGAFOWTIM-NVXWUHKLSA-N 2 2 418.498 -1.157 20 0 HAADLP CC(=O)O[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001159073710 1072171510 /nfs/dbraw/zinc/17/15/10/1072171510.db2.gz ATTYTDGAFOWTIM-RDJZCZTQSA-N 2 2 418.498 -1.157 20 0 HAADLP CC(=O)O[C@H]1C[NH2+]C[C@H]1C(=O)N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001159073711 1072171533 /nfs/dbraw/zinc/17/15/33/1072171533.db2.gz ATTYTDGAFOWTIM-WBVHZDCISA-N 2 2 418.498 -1.157 20 0 HAADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@@H]1CCCN1C(=O)C[NH3+])CC2 ZINC001159073714 1072171490 /nfs/dbraw/zinc/17/14/90/1072171490.db2.gz AXPODMBBQLUFMU-HNNXBMFYSA-N 2 2 417.514 -1.358 20 0 HAADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC2 ZINC001159073770 1072171522 /nfs/dbraw/zinc/17/15/22/1072171522.db2.gz DFCIHFZAYRMOFM-AWEZNQCLSA-N 3 2 409.560 -1.288 20 0 HAADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)CC2 ZINC001159073792 1072171553 /nfs/dbraw/zinc/17/15/53/1072171553.db2.gz DZLBEILHYQODIJ-HNNXBMFYSA-N 3 2 401.515 -1.499 20 0 HAADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)CC2 ZINC001159073793 1072171458 /nfs/dbraw/zinc/17/14/58/1072171458.db2.gz DZLBEILHYQODIJ-OAHLLOKOSA-N 3 2 401.515 -1.499 20 0 HAADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@@H]1COC3(C[NH2+]C3)CN1)CC2 ZINC001159073910 1072171587 /nfs/dbraw/zinc/17/15/87/1072171587.db2.gz FKJKBZPZDYRYGI-HNNXBMFYSA-N 2 2 417.514 -1.977 20 0 HAADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@H]1COC3(C[NH2+]C3)CN1)CC2 ZINC001159073915 1072171426 /nfs/dbraw/zinc/17/14/26/1072171426.db2.gz FKJKBZPZDYRYGI-OAHLLOKOSA-N 2 2 417.514 -1.977 20 0 HAADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@@H]1NC(=O)CC13C[NH2+]C3)CC2 ZINC001159074036 1072171453 /nfs/dbraw/zinc/17/14/53/1072171453.db2.gz HNLZWGRPTYGEPS-KRWDZBQOSA-N 2 2 415.498 -1.830 20 0 HAADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@H]1NC(=O)CC13C[NH2+]C3)CC2 ZINC001159074037 1072171444 /nfs/dbraw/zinc/17/14/44/1072171444.db2.gz HNLZWGRPTYGEPS-QGZVFWFLSA-N 2 2 415.498 -1.830 20 0 HAADLP Cn1cncc1C[C@H]([NH3+])C(=O)N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001159074039 1072171572 /nfs/dbraw/zinc/17/15/72/1072171572.db2.gz HQOQTJFBOCRQRQ-INIZCTEOSA-N 2 2 414.514 -1.004 20 0 HAADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)C1=NO[C@@H]3C[NH2+]C[C@H]13)CC2 ZINC001159074635 1072171544 /nfs/dbraw/zinc/17/15/44/1072171544.db2.gz ICBCUHBNZDIHNY-DZGCQCFKSA-N 2 2 401.471 -1.333 20 0 HAADLP COC(=O)CC[C@H]([NH3+])C(=O)N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001159074729 1072171611 /nfs/dbraw/zinc/17/16/11/1072171611.db2.gz JXYIAWSVHLEJKI-AWEZNQCLSA-N 2 2 406.487 -1.027 20 0 HAADLP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001159074730 1072172112 /nfs/dbraw/zinc/17/21/12/1072172112.db2.gz JXYIAWSVHLEJKI-CQSZACIVSA-N 2 2 406.487 -1.027 20 0 HAADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001159075265 1072172249 /nfs/dbraw/zinc/17/22/49/1072172249.db2.gz FPPPECBEFKXIAS-HLIPFELVSA-N 3 2 411.547 -1.008 20 0 HAADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001159075267 1072172289 /nfs/dbraw/zinc/17/22/89/1072172289.db2.gz FPPPECBEFKXIAS-QKLQHJQFSA-N 3 2 411.547 -1.008 20 0 HAADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001159075268 1072172307 /nfs/dbraw/zinc/17/23/07/1072172307.db2.gz FPPPECBEFKXIAS-UWVAXJGDSA-N 3 2 411.547 -1.008 20 0 HAADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001159075270 1072172376 /nfs/dbraw/zinc/17/23/76/1072172376.db2.gz FPPPECBEFKXIAS-ZWOKBUDYSA-N 3 2 411.547 -1.008 20 0 HAADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)CC2 ZINC001159075311 1072172332 /nfs/dbraw/zinc/17/23/32/1072172332.db2.gz MVOBODFYBSIJCR-HJFSHJIFSA-N 2 2 410.544 -1.212 20 0 HAADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)CC2 ZINC001159075314 1072172206 /nfs/dbraw/zinc/17/22/06/1072172206.db2.gz MVOBODFYBSIJCR-POXGOYDTSA-N 2 2 410.544 -1.212 20 0 HAADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@H]1CO[C@@H]3C[NH2+]C[C@H]13)CC2 ZINC001159075329 1072172392 /nfs/dbraw/zinc/17/23/92/1072172392.db2.gz NHXMUPNEEACPKC-HLLBOEOZSA-N 2 2 402.499 -1.073 20 0 HAADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)C[C@@H]([NH3+])CCC(N)=O)CC2 ZINC001159075371 1072172322 /nfs/dbraw/zinc/17/23/22/1072172322.db2.gz NVJVCCDLWYYSLB-ZDUSSCGKSA-N 2 2 405.503 -1.325 20 0 HAADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001159075476 1072172187 /nfs/dbraw/zinc/17/21/87/1072172187.db2.gz PCZFOZUAJZTULQ-JSGCOSHPSA-N 2 2 421.502 -2.483 20 0 HAADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)COCCOCC[NH3+])CC2 ZINC001159075499 1072172100 /nfs/dbraw/zinc/17/21/00/1072172100.db2.gz PEYHBZXLMDAJOI-UHFFFAOYSA-N 2 2 408.503 -1.316 20 0 HAADLP C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001159075567 1072172157 /nfs/dbraw/zinc/17/21/57/1072172157.db2.gz PKZFGKHHHSSTED-STQMWFEESA-N 2 2 405.503 -1.456 20 0 HAADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@]13C[NH2+]C[C@H]1COC3)CC2 ZINC001159075593 1072172405 /nfs/dbraw/zinc/17/24/05/1072172405.db2.gz PQOOTWWQCOSQAK-XOBRGWDASA-N 2 2 402.499 -1.072 20 0 HAADLP CCOC(=O)C1(C(=O)N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)C[NH2+]C1 ZINC001159075928 1072172269 /nfs/dbraw/zinc/17/22/69/1072172269.db2.gz QLHBHNYMYLFFOD-UHFFFAOYSA-N 2 2 418.498 -1.155 20 0 HAADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)/C=C/C(=O)NCC[NH3+])CC2 ZINC001159076127 1072172191 /nfs/dbraw/zinc/17/21/91/1072172191.db2.gz RUJXTPAEOXJCLO-ONEGZZNKSA-N 2 2 403.487 -1.677 20 0 HAADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@@H]([NH3+])CCCNC(N)=O)CC2 ZINC001159076137 1072172130 /nfs/dbraw/zinc/17/21/30/1072172130.db2.gz RVZAIFDFAIZOGG-AWEZNQCLSA-N 2 2 420.518 -1.532 20 0 HAADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@H]([NH3+])CCCNC(N)=O)CC2 ZINC001159076138 1072172172 /nfs/dbraw/zinc/17/21/72/1072172172.db2.gz RVZAIFDFAIZOGG-CQSZACIVSA-N 2 2 420.518 -1.532 20 0 HAADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)CC2 ZINC001159076151 1072173030 /nfs/dbraw/zinc/17/30/30/1072173030.db2.gz RZLUVEJZBYDJOW-HNNXBMFYSA-N 2 2 417.514 -1.439 20 0 HAADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@@H]([NH3+])Cn1cccn1)CC2 ZINC001159076168 1072172982 /nfs/dbraw/zinc/17/29/82/1072172982.db2.gz SKFHNOCSSLXNNX-HNNXBMFYSA-N 2 2 400.487 -1.084 20 0 HAADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001159076258 1072172909 /nfs/dbraw/zinc/17/29/09/1072172909.db2.gz HQNIIMBFHUUJTB-PBHICJAKSA-N 2 2 420.532 -1.538 20 0 HAADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001159076259 1072173017 /nfs/dbraw/zinc/17/30/17/1072173017.db2.gz HQNIIMBFHUUJTB-RHSMWYFYSA-N 2 2 420.532 -1.538 20 0 HAADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001159076260 1072172965 /nfs/dbraw/zinc/17/29/65/1072172965.db2.gz HQNIIMBFHUUJTB-WMLDXEAASA-N 2 2 420.532 -1.538 20 0 HAADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001159076261 1072173047 /nfs/dbraw/zinc/17/30/47/1072173047.db2.gz HQNIIMBFHUUJTB-YOEHRIQHSA-N 2 2 420.532 -1.538 20 0 HAADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO ZINC001159076551 1072172869 /nfs/dbraw/zinc/17/28/69/1072172869.db2.gz JBLISLODALVVRQ-AHXJXLJNSA-N 2 2 400.476 -1.934 20 0 HAADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO ZINC001159076552 1072173025 /nfs/dbraw/zinc/17/30/25/1072173025.db2.gz JBLISLODALVVRQ-MOROJQBDSA-N 2 2 400.476 -1.934 20 0 HAADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO ZINC001159076553 1072172929 /nfs/dbraw/zinc/17/29/29/1072172929.db2.gz JBLISLODALVVRQ-NUXNZHGMSA-N 2 2 400.476 -1.934 20 0 HAADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO ZINC001159076554 1072173069 /nfs/dbraw/zinc/17/30/69/1072173069.db2.gz JBLISLODALVVRQ-WZTLGTBRSA-N 2 2 400.476 -1.934 20 0 HAADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3N1)CC2 ZINC001159076856 1072172940 /nfs/dbraw/zinc/17/29/40/1072172940.db2.gz ZHWRQCNCRZEUOJ-CWRNSKLLSA-N 2 2 401.515 -1.358 20 0 HAADLP Cn1nnc2c1CCN(C(=O)CN1CC[NH2+]CC1=O)[C@H]2COCC[NH+]1CCCC1 ZINC001159125368 1072174153 /nfs/dbraw/zinc/17/41/53/1072174153.db2.gz VRSQMMYAUMWKNE-INIZCTEOSA-N 2 2 405.503 -1.215 20 0 HAADLP Cn1nnc2c1CCN(C(=O)CN1CC[NH2+]CC1=O)[C@@H]2COCC[NH+]1CCCC1 ZINC001159125369 1072174269 /nfs/dbraw/zinc/17/42/69/1072174269.db2.gz VRSQMMYAUMWKNE-MRXNPFEDSA-N 2 2 405.503 -1.215 20 0 HAADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]([NH3+])CSCNC(C)=O)C2)C1 ZINC001159125698 1072174253 /nfs/dbraw/zinc/17/42/53/1072174253.db2.gz YHDRGHRQDJKBFT-MAUKXSAKSA-N 2 2 415.560 -1.173 20 0 HAADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]([NH3+])CSCNC(C)=O)C2)C1 ZINC001159125698 1072174247 /nfs/dbraw/zinc/17/42/47/1072174247.db2.gz YHDRGHRQDJKBFT-MAUKXSAKSA-N 2 2 415.560 -1.173 20 0 HAADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]([NH3+])CSCNC(C)=O)C2)C1 ZINC001159125699 1072174236 /nfs/dbraw/zinc/17/42/36/1072174236.db2.gz YHDRGHRQDJKBFT-YJBOKZPZSA-N 2 2 415.560 -1.173 20 0 HAADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]([NH3+])CSCNC(C)=O)C2)C1 ZINC001159125699 1072174231 /nfs/dbraw/zinc/17/42/31/1072174231.db2.gz YHDRGHRQDJKBFT-YJBOKZPZSA-N 2 2 415.560 -1.173 20 0 HAADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)C2)C1 ZINC001159126010 1072174344 /nfs/dbraw/zinc/17/43/44/1072174344.db2.gz KAPVRNYPEGHALA-FXAWDEMLSA-N 3 2 410.563 -1.576 20 0 HAADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)C2)C1 ZINC001159126010 1072174339 /nfs/dbraw/zinc/17/43/39/1072174339.db2.gz KAPVRNYPEGHALA-FXAWDEMLSA-N 3 2 410.563 -1.576 20 0 HAADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)C2)C1 ZINC001159126011 1072174315 /nfs/dbraw/zinc/17/43/15/1072174315.db2.gz KAPVRNYPEGHALA-PXNSSMCTSA-N 3 2 410.563 -1.576 20 0 HAADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)C2)C1 ZINC001159126011 1072174310 /nfs/dbraw/zinc/17/43/10/1072174310.db2.gz KAPVRNYPEGHALA-PXNSSMCTSA-N 3 2 410.563 -1.576 20 0 HAADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)C2)C1 ZINC001159126012 1072174140 /nfs/dbraw/zinc/17/41/40/1072174140.db2.gz KAPVRNYPEGHALA-XLIONFOSSA-N 3 2 410.563 -1.576 20 0 HAADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)C2)C1 ZINC001159126012 1072174137 /nfs/dbraw/zinc/17/41/37/1072174137.db2.gz KAPVRNYPEGHALA-XLIONFOSSA-N 3 2 410.563 -1.576 20 0 HAADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)C2)C1 ZINC001159126013 1072174369 /nfs/dbraw/zinc/17/43/69/1072174369.db2.gz KAPVRNYPEGHALA-YLJYHZDGSA-N 3 2 410.563 -1.576 20 0 HAADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)C2)C1 ZINC001159126013 1072174365 /nfs/dbraw/zinc/17/43/65/1072174365.db2.gz KAPVRNYPEGHALA-YLJYHZDGSA-N 3 2 410.563 -1.576 20 0 HAADLP CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)CC3)C1=O ZINC001159189700 1072175420 /nfs/dbraw/zinc/17/54/20/1072175420.db2.gz GELXGIIWDBMCBF-DEYYWGMASA-N 2 2 413.544 -1.592 20 0 HAADLP CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CC3)C1=O ZINC001159189701 1072175561 /nfs/dbraw/zinc/17/55/61/1072175561.db2.gz GELXGIIWDBMCBF-GLJUWKHASA-N 2 2 413.544 -1.592 20 0 HAADLP CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CC3)C1=O ZINC001159189704 1072175509 /nfs/dbraw/zinc/17/55/09/1072175509.db2.gz GELXGIIWDBMCBF-QWQRMKEZSA-N 2 2 413.544 -1.592 20 0 HAADLP CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)CC3)C1=O ZINC001159189706 1072175634 /nfs/dbraw/zinc/17/56/34/1072175634.db2.gz GELXGIIWDBMCBF-SUNYJGFJSA-N 2 2 413.544 -1.592 20 0 HAADLP CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CC3)C1=O ZINC001159190931 1072176227 /nfs/dbraw/zinc/17/62/27/1072176227.db2.gz NZEKYJOBSZJXAS-DEYYWGMASA-N 2 2 413.544 -1.734 20 0 HAADLP CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CC3)C1=O ZINC001159190932 1072176141 /nfs/dbraw/zinc/17/61/41/1072176141.db2.gz NZEKYJOBSZJXAS-SUNYJGFJSA-N 2 2 413.544 -1.734 20 0 HAADLP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001159192834 1072177321 /nfs/dbraw/zinc/17/73/21/1072177321.db2.gz XLZGVSNKUYWDNJ-BJJXKVORSA-N 2 2 406.487 -1.025 20 0 HAADLP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001159192835 1072177359 /nfs/dbraw/zinc/17/73/59/1072177359.db2.gz XLZGVSNKUYWDNJ-NOLJZWGESA-N 2 2 406.487 -1.025 20 0 HAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)C1 ZINC001159394350 1072180138 /nfs/dbraw/zinc/18/01/38/1072180138.db2.gz MTSBFFNGEIWNCQ-CBBWQLFWSA-N 3 2 406.512 -1.493 20 0 HAADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)C1 ZINC001159394381 1072180180 /nfs/dbraw/zinc/18/01/80/1072180180.db2.gz MTSBFFNGEIWNCQ-ZQDZILKHSA-N 3 2 406.512 -1.493 20 0 HAADLP O=C([C@@H]1COCC[NH2+]1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159395718 1072180829 /nfs/dbraw/zinc/18/08/29/1072180829.db2.gz YGPXFRXDVINHEA-SOUVJXGZSA-N 2 2 407.496 -1.194 20 0 HAADLP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CC3)CC1 ZINC001159426571 1072181445 /nfs/dbraw/zinc/18/14/45/1072181445.db2.gz YHYAORPVRSWPTO-GOSISDBHSA-N 3 2 404.563 -1.277 20 0 HAADLP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CC3)CC1 ZINC001159426585 1072181219 /nfs/dbraw/zinc/18/12/19/1072181219.db2.gz YHYAORPVRSWPTO-SFHVURJKSA-N 3 2 404.563 -1.277 20 0 HAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)C1 ZINC001159456922 1072181497 /nfs/dbraw/zinc/18/14/97/1072181497.db2.gz BBGYOILAFNIZKL-ARILJUKYSA-N 2 2 400.501 -2.204 20 0 HAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)C1 ZINC001159456923 1072181841 /nfs/dbraw/zinc/18/18/41/1072181841.db2.gz BBGYOILAFNIZKL-QKGCVVFFSA-N 2 2 400.501 -2.204 20 0 HAADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)C1 ZINC001159456924 1072181878 /nfs/dbraw/zinc/18/18/78/1072181878.db2.gz BBGYOILAFNIZKL-SBJFKYEJSA-N 2 2 400.501 -2.204 20 0 HAADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)C1 ZINC001159456925 1072181897 /nfs/dbraw/zinc/18/18/97/1072181897.db2.gz BBGYOILAFNIZKL-VYDRJRHOSA-N 2 2 400.501 -2.204 20 0 HAADLP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1)C(N)=O ZINC001159514380 1072186282 /nfs/dbraw/zinc/18/62/82/1072186282.db2.gz DCGVAQXOTNMNAO-QWHCGFSZSA-N 2 2 417.474 -1.647 20 0 HAADLP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001159514689 1072186192 /nfs/dbraw/zinc/18/61/92/1072186192.db2.gz HXACSZYBXWVZCR-RYUDHWBXSA-N 2 2 403.447 -2.037 20 0 HAADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)/C=C/C(=O)NCC[NH3+])C2 ZINC001159526940 1072186254 /nfs/dbraw/zinc/18/62/54/1072186254.db2.gz BBLZQBOOCMCVQX-KZSQQDEKSA-N 2 2 420.514 -1.174 20 0 HAADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)/C=C/C(=O)NCC[NH3+])C2 ZINC001159526941 1072186142 /nfs/dbraw/zinc/18/61/42/1072186142.db2.gz BBLZQBOOCMCVQX-WOMSROEHSA-N 2 2 420.514 -1.174 20 0 HAADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2C[C@H]3C[C@H]4[C@@](CN(Cc5ccncc5)S4(=O)=O)(C2)O3)C1 ZINC001159599401 1072187458 /nfs/dbraw/zinc/18/74/58/1072187458.db2.gz LYJVERSKJLSPNL-IWSXDTNSSA-N 2 2 407.496 -1.345 20 0 HAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2C[C@H]3C[C@H]4[C@@](CN(Cc5ccncc5)S4(=O)=O)(C2)O3)C1 ZINC001159599405 1072187367 /nfs/dbraw/zinc/18/73/67/1072187367.db2.gz LYJVERSKJLSPNL-LFRCEIEQSA-N 2 2 407.496 -1.345 20 0 HAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159599773 1072187333 /nfs/dbraw/zinc/18/73/33/1072187333.db2.gz NYHLZXDJHKTDCX-IMPIEMTGSA-N 2 2 407.496 -1.488 20 0 HAADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)CC2)C1=O ZINC001159607620 1072188031 /nfs/dbraw/zinc/18/80/31/1072188031.db2.gz CFQCYZMICODONT-YLJYHZDGSA-N 4 2 406.575 -1.118 20 0 HAADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)CC2)C1=O ZINC001159607620 1072188025 /nfs/dbraw/zinc/18/80/25/1072188025.db2.gz CFQCYZMICODONT-YLJYHZDGSA-N 4 2 406.575 -1.118 20 0 HAADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]3NC(=O)CC34C[NH2+]C4)CC2)C1=O ZINC001159608053 1072187914 /nfs/dbraw/zinc/18/79/14/1072187914.db2.gz FXXULJUGZNXLCD-INIZCTEOSA-N 3 2 406.531 -1.839 20 0 HAADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]3NC(=O)CC34C[NH2+]C4)CC2)C1=O ZINC001159608053 1072187909 /nfs/dbraw/zinc/18/79/09/1072187909.db2.gz FXXULJUGZNXLCD-INIZCTEOSA-N 3 2 406.531 -1.839 20 0 HAADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H]3NC(=O)CC34C[NH2+]C4)CC2)C1=O ZINC001159608054 1072187940 /nfs/dbraw/zinc/18/79/40/1072187940.db2.gz FXXULJUGZNXLCD-MRXNPFEDSA-N 3 2 406.531 -1.839 20 0 HAADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H]3NC(=O)CC34C[NH2+]C4)CC2)C1=O ZINC001159608054 1072187937 /nfs/dbraw/zinc/18/79/37/1072187937.db2.gz FXXULJUGZNXLCD-MRXNPFEDSA-N 3 2 406.531 -1.839 20 0 HAADLP C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@@H](C)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001159609087 1072188093 /nfs/dbraw/zinc/18/80/93/1072188093.db2.gz FBTCBOUQKRSNDN-QBPKDAKJSA-N 2 2 423.558 -1.185 20 0 HAADLP C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@@H](C)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001159609087 1072188088 /nfs/dbraw/zinc/18/80/88/1072188088.db2.gz FBTCBOUQKRSNDN-QBPKDAKJSA-N 2 2 423.558 -1.185 20 0 HAADLP C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@H](C)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001159609088 1072187891 /nfs/dbraw/zinc/18/78/91/1072187891.db2.gz FBTCBOUQKRSNDN-YLFCFFPRSA-N 2 2 423.558 -1.185 20 0 HAADLP C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@H](C)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001159609088 1072187886 /nfs/dbraw/zinc/18/78/86/1072187886.db2.gz FBTCBOUQKRSNDN-YLFCFFPRSA-N 2 2 423.558 -1.185 20 0 HAADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001159609104 1072188693 /nfs/dbraw/zinc/18/86/93/1072188693.db2.gz FONNDLNCWXRDAB-GJZGRUSLSA-N 3 2 412.535 -2.493 20 0 HAADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001159609104 1072188690 /nfs/dbraw/zinc/18/86/90/1072188690.db2.gz FONNDLNCWXRDAB-GJZGRUSLSA-N 3 2 412.535 -2.493 20 0 HAADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]3CCCN3C(=O)C[NH3+])CC2)C1=O ZINC001159609543 1072188744 /nfs/dbraw/zinc/18/87/44/1072188744.db2.gz IGPYUUPNEAKQTF-INIZCTEOSA-N 3 2 408.547 -1.367 20 0 HAADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]3CCCN3C(=O)C[NH3+])CC2)C1=O ZINC001159609543 1072188742 /nfs/dbraw/zinc/18/87/42/1072188742.db2.gz IGPYUUPNEAKQTF-INIZCTEOSA-N 3 2 408.547 -1.367 20 0 HAADLP Cn1cncc1C[C@H]([NH3+])C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001159609849 1072188564 /nfs/dbraw/zinc/18/85/64/1072188564.db2.gz PBKBXCSALAMAIJ-KRWDZBQOSA-N 3 2 405.547 -1.013 20 0 HAADLP Cn1cncc1C[C@H]([NH3+])C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001159609849 1072188556 /nfs/dbraw/zinc/18/85/56/1072188556.db2.gz PBKBXCSALAMAIJ-KRWDZBQOSA-N 3 2 405.547 -1.013 20 0 HAADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)CC2)C1=O ZINC001159610191 1072188670 /nfs/dbraw/zinc/18/86/70/1072188670.db2.gz MUEASCGLILXFHA-INIZCTEOSA-N 3 2 408.547 -1.449 20 0 HAADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)CC2)C1=O ZINC001159610191 1072188666 /nfs/dbraw/zinc/18/86/66/1072188666.db2.gz MUEASCGLILXFHA-INIZCTEOSA-N 3 2 408.547 -1.449 20 0 HAADLP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001159610352 1072188755 /nfs/dbraw/zinc/18/87/55/1072188755.db2.gz OLUQNJYWUMDNHZ-DLBZAZTESA-N 3 2 409.531 -1.166 20 0 HAADLP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001159610352 1072188753 /nfs/dbraw/zinc/18/87/53/1072188753.db2.gz OLUQNJYWUMDNHZ-DLBZAZTESA-N 3 2 409.531 -1.166 20 0 HAADLP CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001159610356 1072188712 /nfs/dbraw/zinc/18/87/12/1072188712.db2.gz OLUQNJYWUMDNHZ-IAGOWNOFSA-N 3 2 409.531 -1.166 20 0 HAADLP CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001159610356 1072188710 /nfs/dbraw/zinc/18/87/10/1072188710.db2.gz OLUQNJYWUMDNHZ-IAGOWNOFSA-N 3 2 409.531 -1.166 20 0 HAADLP CC(=O)O[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001159610360 1072188702 /nfs/dbraw/zinc/18/87/02/1072188702.db2.gz OLUQNJYWUMDNHZ-IRXDYDNUSA-N 3 2 409.531 -1.166 20 0 HAADLP CC(=O)O[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001159610360 1072188701 /nfs/dbraw/zinc/18/87/01/1072188701.db2.gz OLUQNJYWUMDNHZ-IRXDYDNUSA-N 3 2 409.531 -1.166 20 0 HAADLP CC(=O)O[C@H]1C[NH2+]C[C@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001159610362 1072188724 /nfs/dbraw/zinc/18/87/24/1072188724.db2.gz OLUQNJYWUMDNHZ-SJORKVTESA-N 3 2 409.531 -1.166 20 0 HAADLP CC(=O)O[C@H]1C[NH2+]C[C@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001159610362 1072188719 /nfs/dbraw/zinc/18/87/19/1072188719.db2.gz OLUQNJYWUMDNHZ-SJORKVTESA-N 3 2 409.531 -1.166 20 0 HAADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)CC2)C1=O ZINC001159610643 1072188621 /nfs/dbraw/zinc/18/86/21/1072188621.db2.gz QQIZUKAHKZYNNR-GOSISDBHSA-N 4 2 423.606 -1.566 20 0 HAADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)CC2)C1=O ZINC001159610643 1072188614 /nfs/dbraw/zinc/18/86/14/1072188614.db2.gz QQIZUKAHKZYNNR-GOSISDBHSA-N 4 2 423.606 -1.566 20 0 HAADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)CC2)C1=O ZINC001159610654 1072188530 /nfs/dbraw/zinc/18/85/30/1072188530.db2.gz QQIZUKAHKZYNNR-SFHVURJKSA-N 4 2 423.606 -1.566 20 0 HAADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)CC2)C1=O ZINC001159610654 1072188525 /nfs/dbraw/zinc/18/85/25/1072188525.db2.gz QQIZUKAHKZYNNR-SFHVURJKSA-N 4 2 423.606 -1.566 20 0 HAADLP CCOC(=O)C1(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)C[NH2+]C1 ZINC001159610739 1072188647 /nfs/dbraw/zinc/18/86/47/1072188647.db2.gz SDWAWXRXDUGZGR-UHFFFAOYSA-N 3 2 409.531 -1.164 20 0 HAADLP CCOC(=O)C1(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)C[NH2+]C1 ZINC001159610739 1072188642 /nfs/dbraw/zinc/18/86/42/1072188642.db2.gz SDWAWXRXDUGZGR-UHFFFAOYSA-N 3 2 409.531 -1.164 20 0 HAADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]3COC4(C[NH2+]C4)CN3)CC2)C1=O ZINC001159610860 1072188484 /nfs/dbraw/zinc/18/84/84/1072188484.db2.gz VMWXLHZSVUGXAS-INIZCTEOSA-N 3 2 408.547 -1.986 20 0 HAADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]3COC4(C[NH2+]C4)CN3)CC2)C1=O ZINC001159610860 1072188477 /nfs/dbraw/zinc/18/84/77/1072188477.db2.gz VMWXLHZSVUGXAS-INIZCTEOSA-N 3 2 408.547 -1.986 20 0 HAADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H]3COC4(C[NH2+]C4)CN3)CC2)C1=O ZINC001159610861 1072188505 /nfs/dbraw/zinc/18/85/05/1072188505.db2.gz VMWXLHZSVUGXAS-MRXNPFEDSA-N 3 2 408.547 -1.986 20 0 HAADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H]3COC4(C[NH2+]C4)CN3)CC2)C1=O ZINC001159610861 1072188502 /nfs/dbraw/zinc/18/85/02/1072188502.db2.gz VMWXLHZSVUGXAS-MRXNPFEDSA-N 3 2 408.547 -1.986 20 0 HAADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]([NH3+])CCCNC(N)=O)CC2)C1=O ZINC001159611198 1072189290 /nfs/dbraw/zinc/18/92/90/1072189290.db2.gz WMVIAOWTGPTDIE-HNNXBMFYSA-N 3 2 411.551 -1.541 20 0 HAADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]([NH3+])CCCNC(N)=O)CC2)C1=O ZINC001159611198 1072189285 /nfs/dbraw/zinc/18/92/85/1072189285.db2.gz WMVIAOWTGPTDIE-HNNXBMFYSA-N 3 2 411.551 -1.541 20 0 HAADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H]([NH3+])CCCNC(N)=O)CC2)C1=O ZINC001159611199 1072189200 /nfs/dbraw/zinc/18/92/00/1072189200.db2.gz WMVIAOWTGPTDIE-OAHLLOKOSA-N 3 2 411.551 -1.541 20 0 HAADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H]([NH3+])CCCNC(N)=O)CC2)C1=O ZINC001159611199 1072189197 /nfs/dbraw/zinc/18/91/97/1072189197.db2.gz WMVIAOWTGPTDIE-OAHLLOKOSA-N 3 2 411.551 -1.541 20 0 HAADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001159633320 1072189452 /nfs/dbraw/zinc/18/94/52/1072189452.db2.gz ITBRARVVISXIFM-JSGCOSHPSA-N 2 2 403.443 -1.955 20 0 HAADLP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001159633634 1072189369 /nfs/dbraw/zinc/18/93/69/1072189369.db2.gz PPYPRWWBDHQBDS-KRWDZBQOSA-N 3 2 414.514 -1.029 20 0 HAADLP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001159633635 1072189431 /nfs/dbraw/zinc/18/94/31/1072189431.db2.gz PPYPRWWBDHQBDS-QGZVFWFLSA-N 3 2 414.514 -1.029 20 0 HAADLP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001159633847 1072189392 /nfs/dbraw/zinc/18/93/92/1072189392.db2.gz TYCWZXXJHYEZKU-UHFFFAOYSA-N 2 2 423.499 -1.559 20 0 HAADLP NC(=O)NCCC[C@H]([NH3+])C(=O)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001159636101 1072189346 /nfs/dbraw/zinc/18/93/46/1072189346.db2.gz SCBBJXDSBFRDNN-AWEZNQCLSA-N 2 2 402.459 -1.004 20 0 HAADLP NC(=O)NCCC[C@@H]([NH3+])C(=O)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001159636102 1072189321 /nfs/dbraw/zinc/18/93/21/1072189321.db2.gz SCBBJXDSBFRDNN-CQSZACIVSA-N 2 2 402.459 -1.004 20 0 HAADLP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001159688236 1072190691 /nfs/dbraw/zinc/19/06/91/1072190691.db2.gz PRHRFDDNXVLDAQ-GJZGRUSLSA-N 2 2 418.498 -1.013 20 0 HAADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001159759080 1072192411 /nfs/dbraw/zinc/19/24/11/1072192411.db2.gz WIEGOKNNEVLKCR-PFRQMTDMSA-N 2 2 411.547 -1.402 20 0 HAADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001159759080 1072192398 /nfs/dbraw/zinc/19/23/98/1072192398.db2.gz WIEGOKNNEVLKCR-PFRQMTDMSA-N 2 2 411.547 -1.402 20 0 HAADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001159998158 1072195458 /nfs/dbraw/zinc/19/54/58/1072195458.db2.gz DOCVQLYSZWWOBM-RDJZCZTQSA-N 2 2 417.510 -1.196 20 0 HAADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001159998158 1072195448 /nfs/dbraw/zinc/19/54/48/1072195448.db2.gz DOCVQLYSZWWOBM-RDJZCZTQSA-N 2 2 417.510 -1.196 20 0 HAADLP Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CN(C(=O)[C@@H]4C[C@H]5C[NH2+]C[C@H]5[NH2+]4)CC[C@@H]32)cn1 ZINC001160077877 1072196631 /nfs/dbraw/zinc/19/66/31/1072196631.db2.gz JSRDWRKPEUDWRZ-KFROQNRCSA-N 2 2 402.499 -1.037 20 0 HAADLP Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CN(C(=O)[C@]45C[NH2+]C[C@H]4CC[NH2+]5)CC[C@@H]32)cn1 ZINC001160078420 1072196571 /nfs/dbraw/zinc/19/65/71/1072196571.db2.gz SBCXYFUUFUKDNC-PHSQPZKOSA-N 2 2 402.499 -1.035 20 0 HAADLP Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CN(C(=O)[C@@]45C[NH2+]C[C@@H]4CC[NH2+]5)CC[C@@H]32)cn1 ZINC001160078421 1072196826 /nfs/dbraw/zinc/19/68/26/1072196826.db2.gz SBCXYFUUFUKDNC-RXBWTVHKSA-N 2 2 402.499 -1.035 20 0 HAADLP Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CN(C(=O)[C@@]45C[NH2+]C[C@H]4CC[NH2+]5)CC[C@@H]32)cn1 ZINC001160078422 1072196835 /nfs/dbraw/zinc/19/68/35/1072196835.db2.gz SBCXYFUUFUKDNC-TWGXZMITSA-N 2 2 402.499 -1.035 20 0 HAADLP Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CN(C(=O)[C@]45C[NH2+]C[C@@H]4CC[NH2+]5)CC[C@@H]32)cn1 ZINC001160078423 1072196651 /nfs/dbraw/zinc/19/66/51/1072196651.db2.gz SBCXYFUUFUKDNC-ZTTBQOKTSA-N 2 2 402.499 -1.035 20 0 HAADLP C[NH+]1CCN(c2ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)nn2)CC1 ZINC001160086371 1072197980 /nfs/dbraw/zinc/19/79/80/1072197980.db2.gz GRPLVQDLGDFPNG-GAEVZRCVSA-N 2 2 418.458 -2.059 20 0 HAADLP C[NH+]1CCN(c2cccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)n2)CC1 ZINC001160088440 1072198928 /nfs/dbraw/zinc/19/89/28/1072198928.db2.gz YKTROXVVVXACGQ-BDQAWRDZSA-N 2 2 417.470 -1.288 20 0 HAADLP C[NH+]1CCN(c2nccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)n2)CC1 ZINC001160092292 1072199186 /nfs/dbraw/zinc/19/91/86/1072199186.db2.gz AQMCIBDKFOAHIB-RAEVTNRLSA-N 2 2 418.458 -1.893 20 0 HAADLP [NH3+][C@H]1[C@H](n2ccc(Nc3cccc(N4CCC([NH3+])CC4)[nH+]3)nc2=O)O[C@H](CO)[C@H]1O ZINC001160092855 1072199774 /nfs/dbraw/zinc/19/97/74/1072199774.db2.gz NSEKYZNMKGNKMU-BDQAWRDZSA-N 3 2 417.470 -1.113 20 0 HAADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C2 ZINC001160380828 1072204441 /nfs/dbraw/zinc/20/44/41/1072204441.db2.gz KQOFLCJDVDOODA-STQMWFEESA-N 2 2 408.507 -1.442 20 0 HAADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C2 ZINC001160380828 1072204436 /nfs/dbraw/zinc/20/44/36/1072204436.db2.gz KQOFLCJDVDOODA-STQMWFEESA-N 2 2 408.507 -1.442 20 0 HAADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)C2 ZINC001160381764 1072205166 /nfs/dbraw/zinc/20/51/66/1072205166.db2.gz ZGBHDPRKEPYQRN-UONOGXRCSA-N 2 2 422.534 -1.052 20 0 HAADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)C2 ZINC001160381764 1072205163 /nfs/dbraw/zinc/20/51/63/1072205163.db2.gz ZGBHDPRKEPYQRN-UONOGXRCSA-N 2 2 422.534 -1.052 20 0 HAADLP Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@@]13C[NH2+]C[C@H]1CC[NH2+]3)CC2 ZINC001160405350 1072206681 /nfs/dbraw/zinc/20/66/81/1072206681.db2.gz VRCGMBLSJHXOPU-JLTOFOAXSA-N 2 2 412.498 -1.117 20 0 HAADLP Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@@]13C[NH2+]C[C@@H]1CC[NH2+]3)CC2 ZINC001160405364 1072206731 /nfs/dbraw/zinc/20/67/31/1072206731.db2.gz VRCGMBLSJHXOPU-VBKZILBWSA-N 2 2 412.498 -1.117 20 0 HAADLP Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@]13C[NH2+]C[C@H]1CC[NH2+]3)CC2 ZINC001160405368 1072206507 /nfs/dbraw/zinc/20/65/07/1072206507.db2.gz VRCGMBLSJHXOPU-VLIAUNLRSA-N 2 2 412.498 -1.117 20 0 HAADLP Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@]13C[NH2+]C[C@@H]1CC[NH2+]3)CC2 ZINC001160405372 1072206527 /nfs/dbraw/zinc/20/65/27/1072206527.db2.gz VRCGMBLSJHXOPU-XOBRGWDASA-N 2 2 412.498 -1.117 20 0 HAADLP Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3[NH2+]1)CC2 ZINC001160406303 1072206695 /nfs/dbraw/zinc/20/66/95/1072206695.db2.gz QMQUBBMECITPJO-CWRNSKLLSA-N 2 2 412.498 -1.119 20 0 HAADLP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC001160483597 1072208392 /nfs/dbraw/zinc/20/83/92/1072208392.db2.gz UFIBGWYRDJZWKU-UHFFFAOYSA-N 2 2 419.486 -2.924 20 0 HAADLP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC001160489844 1072208924 /nfs/dbraw/zinc/20/89/24/1072208924.db2.gz GFDXIOFGEPXGMS-UHFFFAOYSA-N 2 2 419.486 -2.924 20 0 HAADLP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[NH+](Cc2c[nH]c3ncccc23)CC1 ZINC001160566255 1072209409 /nfs/dbraw/zinc/20/94/09/1072209409.db2.gz OJFHSPIJYNAXTC-WFASDCNBSA-N 2 2 401.471 -1.086 20 0 HAADLP COC(=O)c1ccc(C[NH+]2CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CC2)cc1 ZINC001160569404 1072209468 /nfs/dbraw/zinc/20/94/68/1072209468.db2.gz PNTJMYMSZSSLEN-BBRMVZONSA-N 2 2 419.482 -1.175 20 0 HAADLP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH2+]C1CC[NH2+]CC1)C(=O)NCC(N)=O ZINC001160628355 1072211157 /nfs/dbraw/zinc/21/11/57/1072211157.db2.gz HPPRIBQCBVJGFD-HOTGVXAUSA-N 2 2 424.546 -1.549 20 0 HAADLP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)C(=O)NCC(N)=O ZINC001160628604 1072211199 /nfs/dbraw/zinc/21/11/99/1072211199.db2.gz KUQVRZUGRWSJKU-KNHNZMBKSA-N 2 2 422.530 -1.668 20 0 HAADLP COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)[C@@H]1C[N@@H+](C)CC3(CC[NH2+]CC3)O1)C2 ZINC001160773038 1072214615 /nfs/dbraw/zinc/21/46/15/1072214615.db2.gz ZPURQDAYDFLKQU-KBPBESRZSA-N 2 2 415.512 -1.372 20 0 HAADLP COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)[C@@H]1C[N@H+](C)CC3(CC[NH2+]CC3)O1)C2 ZINC001160773038 1072214612 /nfs/dbraw/zinc/21/46/12/1072214612.db2.gz ZPURQDAYDFLKQU-KBPBESRZSA-N 2 2 415.512 -1.372 20 0 HAADLP COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)[C@@H]1C[N@@H+](C)CC3(CC[NH2+]CC3)O1)C2 ZINC001160773041 1072214649 /nfs/dbraw/zinc/21/46/49/1072214649.db2.gz ZPURQDAYDFLKQU-KGLIPLIRSA-N 2 2 415.512 -1.372 20 0 HAADLP COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)[C@@H]1C[N@H+](C)CC3(CC[NH2+]CC3)O1)C2 ZINC001160773041 1072214644 /nfs/dbraw/zinc/21/46/44/1072214644.db2.gz ZPURQDAYDFLKQU-KGLIPLIRSA-N 2 2 415.512 -1.372 20 0 HAADLP COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)[C@H]1C[N@@H+](C)CC3(CC[NH2+]CC3)O1)C2 ZINC001160773043 1072214659 /nfs/dbraw/zinc/21/46/59/1072214659.db2.gz ZPURQDAYDFLKQU-UONOGXRCSA-N 2 2 415.512 -1.372 20 0 HAADLP COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)[C@H]1C[N@H+](C)CC3(CC[NH2+]CC3)O1)C2 ZINC001160773043 1072214655 /nfs/dbraw/zinc/21/46/55/1072214655.db2.gz ZPURQDAYDFLKQU-UONOGXRCSA-N 2 2 415.512 -1.372 20 0 HAADLP COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)[C@H]1C[N@@H+](C)CC3(CC[NH2+]CC3)O1)C2 ZINC001160773045 1072214688 /nfs/dbraw/zinc/21/46/88/1072214688.db2.gz ZPURQDAYDFLKQU-ZIAGYGMSSA-N 2 2 415.512 -1.372 20 0 HAADLP COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)[C@H]1C[N@H+](C)CC3(CC[NH2+]CC3)O1)C2 ZINC001160773045 1072214685 /nfs/dbraw/zinc/21/46/85/1072214685.db2.gz ZPURQDAYDFLKQU-ZIAGYGMSSA-N 2 2 415.512 -1.372 20 0 HAADLP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC001160838348 1072216049 /nfs/dbraw/zinc/21/60/49/1072216049.db2.gz HPSVLLNMCNQHMA-KBPBESRZSA-N 2 2 418.502 -1.567 20 0 HAADLP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[N@H+]2CCc3ccccc3[C@@H]2C1 ZINC001160855061 1072216548 /nfs/dbraw/zinc/21/65/48/1072216548.db2.gz LOLXKLVUABYJRT-INIZCTEOSA-N 2 2 416.482 -2.265 20 0 HAADLP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[N@@H+]2CCc3ccccc3[C@@H]2C1 ZINC001160855061 1072216538 /nfs/dbraw/zinc/21/65/38/1072216538.db2.gz LOLXKLVUABYJRT-INIZCTEOSA-N 2 2 416.482 -2.265 20 0 HAADLP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[N@H+]2CCc3ccccc3[C@H]2C1 ZINC001160855062 1072216766 /nfs/dbraw/zinc/21/67/66/1072216766.db2.gz LOLXKLVUABYJRT-MRXNPFEDSA-N 2 2 416.482 -2.265 20 0 HAADLP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[N@@H+]2CCc3ccccc3[C@H]2C1 ZINC001160855062 1072216760 /nfs/dbraw/zinc/21/67/60/1072216760.db2.gz LOLXKLVUABYJRT-MRXNPFEDSA-N 2 2 416.482 -2.265 20 0 HAADLP CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001161031042 1072217505 /nfs/dbraw/zinc/21/75/05/1072217505.db2.gz QDIVKMNFMYNTLF-UHFFFAOYSA-N 2 2 415.454 -1.862 20 0 HAADLP COC(=O)[C@@H]([NH3+])CC(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161119921 1072218897 /nfs/dbraw/zinc/21/88/97/1072218897.db2.gz ULZGZPUZPXPDFT-IHRRRGAJSA-N 2 2 417.457 -1.381 20 0 HAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)C1 ZINC001161122561 1072218936 /nfs/dbraw/zinc/21/89/36/1072218936.db2.gz ANUADGNKXBHOHN-QPSCCSFWSA-N 3 2 400.474 -1.582 20 0 HAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161122599 1072218885 /nfs/dbraw/zinc/21/88/85/1072218885.db2.gz BWRFZIUGHLBVSO-AJNGGQMLSA-N 3 2 400.474 -1.725 20 0 HAADLP [NH3+]C1(C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)CC[NH2+]CC1 ZINC001161122652 1072219107 /nfs/dbraw/zinc/21/91/07/1072219107.db2.gz FDKWUACVQVTJNR-GJZGRUSLSA-N 3 2 414.501 -1.190 20 0 HAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001161139352 1072219426 /nfs/dbraw/zinc/21/94/26/1072219426.db2.gz RMOFGFSSHNCXCK-CKFHNAJUSA-N 2 2 411.503 -1.512 20 0 HAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001161139353 1072219552 /nfs/dbraw/zinc/21/95/52/1072219552.db2.gz RMOFGFSSHNCXCK-NJSLBKSFSA-N 2 2 411.503 -1.512 20 0 HAADLP CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)CC2)c2nonc21 ZINC001161153272 1072220259 /nfs/dbraw/zinc/22/02/59/1072220259.db2.gz FUNMFUNIBWGWSL-NEPJUHHUSA-N 2 2 423.499 -1.189 20 0 HAADLP CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H]3C[C@H]([NH3+])C[NH2+]3)CC2)c2nonc21 ZINC001161153273 1072220236 /nfs/dbraw/zinc/22/02/36/1072220236.db2.gz FUNMFUNIBWGWSL-RYUDHWBXSA-N 2 2 423.499 -1.189 20 0 HAADLP CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])CC2)c2nonc21 ZINC001161154096 1072220660 /nfs/dbraw/zinc/22/06/60/1072220660.db2.gz VDPGLKCWFNHVAG-RYUDHWBXSA-N 2 2 423.499 -1.332 20 0 HAADLP Cn1nnc2c(C(=O)N(CCC[NH+]3CCOCC3)CC3CC[NH2+]CC3)ncn2c1=O ZINC001161201838 1072220791 /nfs/dbraw/zinc/22/07/91/1072220791.db2.gz CGHLBZOTLOVIKZ-UHFFFAOYSA-N 2 2 418.502 -1.013 20 0 HAADLP COc1cc(N2CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC2)cc[nH+]1 ZINC001161306217 1072222486 /nfs/dbraw/zinc/22/24/86/1072222486.db2.gz HLLCXLIOMUIYDI-UHFFFAOYSA-N 2 2 421.458 -2.954 20 0 HAADLP Cc1c[nH+]ccc1O[C@@H]1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C1 ZINC001161388022 1072223039 /nfs/dbraw/zinc/22/30/39/1072223039.db2.gz VTEBEGHSVIBTSX-CYBMUJFWSA-N 2 2 406.443 -2.323 20 0 HAADLP Cc1c[nH+]ccc1O[C@H]1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C1 ZINC001161388024 1072222919 /nfs/dbraw/zinc/22/29/19/1072222919.db2.gz VTEBEGHSVIBTSX-ZDUSSCGKSA-N 2 2 406.443 -2.323 20 0 HAADLP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001161466999 1072223674 /nfs/dbraw/zinc/22/36/74/1072223674.db2.gz BFDMGZAMICSECF-GFCCVEGCSA-N 2 2 418.445 -2.374 20 0 HAADLP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001161467003 1072223463 /nfs/dbraw/zinc/22/34/63/1072223463.db2.gz BFDMGZAMICSECF-LBPRGKRZSA-N 2 2 418.445 -2.374 20 0 HAADLP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC2(C1)C[NH+](C)C2)C(=O)CF ZINC001161532315 1072225691 /nfs/dbraw/zinc/22/56/91/1072225691.db2.gz QIGZXLWDJPSVOO-XEZPLFJOSA-N 2 2 413.494 -1.338 20 0 HAADLP CNC(=O)[C@H](CCCC[NH3+])Nc1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1 ZINC001163438166 1072236042 /nfs/dbraw/zinc/23/60/42/1072236042.db2.gz FRVCRIOZSKYNIE-AWEZNQCLSA-N 2 2 408.507 -1.378 20 0 HAADLP CNC(=O)[C@H](CCCC[NH3+])Nc1nc(N2CCOCC2)nc(N2CCOCC2)[nH+]1 ZINC001163438166 1072236036 /nfs/dbraw/zinc/23/60/36/1072236036.db2.gz FRVCRIOZSKYNIE-AWEZNQCLSA-N 2 2 408.507 -1.378 20 0 HAADLP O=C1CN(c2nc(N3CCOCC3)nc(N3CCOCC3)[nH+]2)CC2(CC[NH2+]CC2)N1 ZINC001165252283 1072236837 /nfs/dbraw/zinc/23/68/37/1072236837.db2.gz BTKINZCLHLGCOH-UHFFFAOYSA-N 2 2 418.502 -1.397 20 0 HAADLP O=C1CN(c2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)CC2(CC[NH2+]CC2)N1 ZINC001165252283 1072236828 /nfs/dbraw/zinc/23/68/28/1072236828.db2.gz BTKINZCLHLGCOH-UHFFFAOYSA-N 2 2 418.502 -1.397 20 0 HAADLP COC(=O)c1c[nH]c2nc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)[nH+]cc12 ZINC001171261845 1071764891 /nfs/dbraw/zinc/76/48/91/1071764891.db2.gz BJYBGUMTOFOLTR-XIDUGBJDSA-N 2 2 417.382 -1.592 20 0 HAADLP Cc1[nH+]ccn1-c1cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)ncn1 ZINC001171261897 1071764859 /nfs/dbraw/zinc/76/48/59/1071764859.db2.gz DWEPQTRLJVOTMK-HMTTWLPMSA-N 2 2 400.399 -1.317 20 0 HAADLP C[NH+]1CCN(c2cc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)ncn2)CC1 ZINC001171262299 1071765585 /nfs/dbraw/zinc/76/55/85/1071765585.db2.gz LABHLMYHAUURGA-GAEVZRCVSA-N 2 2 418.458 -2.059 20 0 HAADLP C[NH+]1CCN(c2ncc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)cn2)CC1 ZINC001171262391 1071765551 /nfs/dbraw/zinc/76/55/51/1071765551.db2.gz DNYNCPDMDSJYLI-DTZQCDIJSA-N 2 2 418.458 -2.059 20 0 HAADLP Cc1[nH+]ccn1-c1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nn1 ZINC001171262542 1071765664 /nfs/dbraw/zinc/76/56/64/1071765664.db2.gz NNJABAPOIRGDEK-HMTTWLPMSA-N 2 2 400.399 -1.317 20 0 HAADLP Cc1[nH+]ccn1-c1cncc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001171262754 1071765694 /nfs/dbraw/zinc/76/56/94/1071765694.db2.gz PZKYQSZXLMLGAR-HMTTWLPMSA-N 2 2 400.399 -1.317 20 0 HAADLP C[NH+]1CCN(c2nccnc2Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)CC1 ZINC001171262836 1071766219 /nfs/dbraw/zinc/76/62/19/1071766219.db2.gz SCSFAJREQAIMLT-LSCFUAHRSA-N 2 2 418.458 -2.059 20 0 HAADLP COCC[N@@H+](C)Cc1ccnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c1 ZINC001171263823 1071767132 /nfs/dbraw/zinc/76/71/32/1071767132.db2.gz ULNHUGVHTCVVRC-BNEJOLLZSA-N 2 2 420.470 -1.128 20 0 HAADLP COCC[N@H+](C)Cc1ccnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c1 ZINC001171263823 1071767124 /nfs/dbraw/zinc/76/71/24/1071767124.db2.gz ULNHUGVHTCVVRC-BNEJOLLZSA-N 2 2 420.470 -1.128 20 0 HAADLP [NH3+][C@H]1[C@H](n2ccc(Nc3ccc4c(C5C[NH2+]C5)[nH+]cn4c3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171263886 1071767183 /nfs/dbraw/zinc/76/71/83/1071767183.db2.gz VXFSRJZOCMANRI-MOIQIXESSA-N 3 2 413.438 -1.267 20 0 HAADLP Cc1[nH+]cn(-c2ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)nn2)c1C ZINC001171263932 1071766886 /nfs/dbraw/zinc/76/68/86/1071766886.db2.gz XBYNXWWYUYBTMD-GAEVZRCVSA-N 2 2 414.426 -1.008 20 0 HAADLP Cc1cc(N2CCOCC2)[nH+]cc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171263963 1071766934 /nfs/dbraw/zinc/76/69/34/1071766934.db2.gz XZOGENVAERLHLG-BNEJOLLZSA-N 2 2 418.454 -1.061 20 0 HAADLP COC(=O)[C@@H]([NH3+])Cc1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)cc1 ZINC001171263977 1071767159 /nfs/dbraw/zinc/76/71/59/1071767159.db2.gz YGGBGVAWUPMMNM-IHWGESPNSA-N 2 2 419.438 -1.392 20 0 HAADLP [NH3+][C@H]1[C@H](n2ccc(Nc3cc(O[C@H]4CCOC4)cc[nH+]3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171267429 1071769068 /nfs/dbraw/zinc/76/90/68/1071769068.db2.gz ZBVODDVFWWVQQV-IUNOTWKLSA-N 2 2 405.411 -1.038 20 0 HAADLP [NH3+][C@H]1[C@H](n2ccc(Nc3cc(O[C@@H]4CCOC4)cc[nH+]3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171267434 1071768983 /nfs/dbraw/zinc/76/89/83/1071768983.db2.gz ZBVODDVFWWVQQV-UNTBTUBKSA-N 2 2 405.411 -1.038 20 0 HAADLP CC(=O)N1CCN(CC(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)CC1 ZINC001179031215 1071795838 /nfs/dbraw/zinc/79/58/38/1071795838.db2.gz SWFDGZHPBJVXTR-UHFFFAOYSA-N 2 2 422.574 -1.153 20 0 HAADLP CC(=O)N1CCN(CC(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)CC1 ZINC001179031215 1071795833 /nfs/dbraw/zinc/79/58/33/1071795833.db2.gz SWFDGZHPBJVXTR-UHFFFAOYSA-N 2 2 422.574 -1.153 20 0 HAADLP C[C@@H](C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N)[NH+]1CCCC1 ZINC001180581917 1071803060 /nfs/dbraw/zinc/80/30/60/1071803060.db2.gz GENQSGWTEHCMNE-GBPQWNHNSA-N 2 2 407.431 -2.122 20 0 HAADLP C[C@H](C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N)[NH+]1CCCC1 ZINC001180581918 1071802794 /nfs/dbraw/zinc/80/27/94/1071802794.db2.gz GENQSGWTEHCMNE-QALRIXGESA-N 2 2 407.431 -2.122 20 0 HAADLP C[N@@H+](CC(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N)C1CCCC1 ZINC001180629893 1071805110 /nfs/dbraw/zinc/80/51/10/1071805110.db2.gz DEHRCRZJGOGHDE-PCYKNENESA-N 2 2 421.458 -1.732 20 0 HAADLP C[N@H+](CC(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N)C1CCCC1 ZINC001180629893 1071805093 /nfs/dbraw/zinc/80/50/93/1071805093.db2.gz DEHRCRZJGOGHDE-PCYKNENESA-N 2 2 421.458 -1.732 20 0 HAADLP CN1C(=O)C[C@@H](C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)NC1=O ZINC001181131731 1071807277 /nfs/dbraw/zinc/80/72/77/1071807277.db2.gz LJRDEKMWUGYUSK-AWEZNQCLSA-N 2 2 408.503 -1.377 20 0 HAADLP CN1C(=O)C[C@@H](C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)NC1=O ZINC001181131731 1071807260 /nfs/dbraw/zinc/80/72/60/1071807260.db2.gz LJRDEKMWUGYUSK-AWEZNQCLSA-N 2 2 408.503 -1.377 20 0 HAADLP CC[N@H+]1CCCC[C@@H]1C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001181997274 1071810875 /nfs/dbraw/zinc/81/08/75/1071810875.db2.gz PDEUHVHMIPHIKW-JISVWNMTSA-N 2 2 421.458 -1.732 20 0 HAADLP CC[N@@H+]1CCCC[C@@H]1C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001181997274 1071810867 /nfs/dbraw/zinc/81/08/67/1071810867.db2.gz PDEUHVHMIPHIKW-JISVWNMTSA-N 2 2 421.458 -1.732 20 0 HAADLP CC[N@H+]1CCCC[C@H]1C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001181997275 1071810744 /nfs/dbraw/zinc/81/07/44/1071810744.db2.gz PDEUHVHMIPHIKW-ZOKLZRJQSA-N 2 2 421.458 -1.732 20 0 HAADLP CC[N@@H+]1CCCC[C@H]1C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001181997275 1071810739 /nfs/dbraw/zinc/81/07/39/1071810739.db2.gz PDEUHVHMIPHIKW-ZOKLZRJQSA-N 2 2 421.458 -1.732 20 0 HAADLP CN(CC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C)S(C)(=O)=O ZINC001182878374 1071817068 /nfs/dbraw/zinc/81/70/68/1071817068.db2.gz QUCHBKYVLLBQEA-UHFFFAOYSA-N 2 2 403.549 -1.425 20 0 HAADLP CN(CC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C)S(C)(=O)=O ZINC001182878374 1071817058 /nfs/dbraw/zinc/81/70/58/1071817058.db2.gz QUCHBKYVLLBQEA-UHFFFAOYSA-N 2 2 403.549 -1.425 20 0 HAADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)C3CN(S(C)(=O)=O)C3)CC2)C1=O ZINC001183021949 1071818217 /nfs/dbraw/zinc/81/82/17/1071818217.db2.gz UJKBONXDUQTMFL-UHFFFAOYSA-N 2 2 415.560 -1.425 20 0 HAADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)C3CN(S(C)(=O)=O)C3)CC2)C1=O ZINC001183021949 1071818211 /nfs/dbraw/zinc/81/82/11/1071818211.db2.gz UJKBONXDUQTMFL-UHFFFAOYSA-N 2 2 415.560 -1.425 20 0 HAADLP CC(C)[C@H](C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N)[NH+](C)C ZINC001183365708 1071820240 /nfs/dbraw/zinc/82/02/40/1071820240.db2.gz LUTCBGRLGRHCAU-BDMGVTFQSA-N 2 2 409.447 -2.021 20 0 HAADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)Cn3cc(F)c(=O)[nH]c3=O)CC2)C1=O ZINC001183659064 1071822117 /nfs/dbraw/zinc/82/21/17/1071822117.db2.gz ZXMAYKNCMKBFQI-UHFFFAOYSA-N 2 2 424.477 -1.215 20 0 HAADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)Cn3cc(F)c(=O)[nH]c3=O)CC2)C1=O ZINC001183659064 1071822114 /nfs/dbraw/zinc/82/21/14/1071822114.db2.gz ZXMAYKNCMKBFQI-UHFFFAOYSA-N 2 2 424.477 -1.215 20 0 HAADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)C[C@@H]3NC(=O)CNC3=O)CC2)C1=O ZINC001183717204 1071823440 /nfs/dbraw/zinc/82/34/40/1071823440.db2.gz HHMQHPGDOQQRHG-AWEZNQCLSA-N 2 2 408.503 -2.312 20 0 HAADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)C[C@@H]3NC(=O)CNC3=O)CC2)C1=O ZINC001183717204 1071823437 /nfs/dbraw/zinc/82/34/37/1071823437.db2.gz HHMQHPGDOQQRHG-AWEZNQCLSA-N 2 2 408.503 -2.312 20 0 HAADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@@H]1C[N@@H+](C)CCN1C)CC2 ZINC001185251722 1071830475 /nfs/dbraw/zinc/83/04/75/1071830475.db2.gz OJIPKKUJTAKVOF-KRWDZBQOSA-N 2 2 403.531 -1.062 20 0 HAADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@@H]1C[N@H+](C)CCN1C)CC2 ZINC001185251722 1071830468 /nfs/dbraw/zinc/83/04/68/1071830468.db2.gz OJIPKKUJTAKVOF-KRWDZBQOSA-N 2 2 403.531 -1.062 20 0 HAADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@H]1C[N@@H+](C)CCN1C)CC2 ZINC001185251723 1071831121 /nfs/dbraw/zinc/83/11/21/1071831121.db2.gz OJIPKKUJTAKVOF-QGZVFWFLSA-N 2 2 403.531 -1.062 20 0 HAADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@H]1C[N@H+](C)CCN1C)CC2 ZINC001185251723 1071831115 /nfs/dbraw/zinc/83/11/15/1071831115.db2.gz OJIPKKUJTAKVOF-QGZVFWFLSA-N 2 2 403.531 -1.062 20 0 HAADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)CNC(=O)[C@@H]3CCC(=O)N3)CC2)C1=O ZINC001187517933 1071855842 /nfs/dbraw/zinc/85/58/42/1071855842.db2.gz SPZNXAOPLUWCLY-HNNXBMFYSA-N 2 2 422.530 -1.922 20 0 HAADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)CNC(=O)[C@@H]3CCC(=O)N3)CC2)C1=O ZINC001187517933 1071855838 /nfs/dbraw/zinc/85/58/38/1071855838.db2.gz SPZNXAOPLUWCLY-HNNXBMFYSA-N 2 2 422.530 -1.922 20 0 HAADLP Cn1c(=O)cc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)n(C)c1=O ZINC001189431411 1071863190 /nfs/dbraw/zinc/86/31/90/1071863190.db2.gz ZQMQAZSWCJGBME-UHFFFAOYSA-N 2 2 420.514 -1.606 20 0 HAADLP Cn1c(=O)cc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)n(C)c1=O ZINC001189431411 1071863182 /nfs/dbraw/zinc/86/31/82/1071863182.db2.gz ZQMQAZSWCJGBME-UHFFFAOYSA-N 2 2 420.514 -1.606 20 0 HAADLP Cn1cc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)c(=O)n(C)c1=O ZINC001195534584 1071882528 /nfs/dbraw/zinc/88/25/28/1071882528.db2.gz NKJSNSVKIAEXGR-UHFFFAOYSA-N 2 2 420.514 -1.606 20 0 HAADLP Cn1cc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)c(=O)n(C)c1=O ZINC001195534584 1071882516 /nfs/dbraw/zinc/88/25/16/1071882516.db2.gz NKJSNSVKIAEXGR-UHFFFAOYSA-N 2 2 420.514 -1.606 20 0 HAADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)cc1 ZINC001198037057 1071889989 /nfs/dbraw/zinc/88/99/89/1071889989.db2.gz UBXKRTXMMZMOKO-HGJKNBTDSA-N 2 2 411.499 -1.400 20 0 HAADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)cc1 ZINC001198037057 1071889982 /nfs/dbraw/zinc/88/99/82/1071889982.db2.gz UBXKRTXMMZMOKO-HGJKNBTDSA-N 2 2 411.499 -1.400 20 0 HAADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)cc1 ZINC001198037058 1071890153 /nfs/dbraw/zinc/89/01/53/1071890153.db2.gz UBXKRTXMMZMOKO-VBEQINLCSA-N 2 2 411.499 -1.400 20 0 HAADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)cc1 ZINC001198037058 1071890148 /nfs/dbraw/zinc/89/01/48/1071890148.db2.gz UBXKRTXMMZMOKO-VBEQINLCSA-N 2 2 411.499 -1.400 20 0 HAADLP C[C@@H]1O[C@@H](OCCNC(=O)c2c[nH+]ccc2N2CC[NH+](C)CC2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001199361422 1071893617 /nfs/dbraw/zinc/89/36/17/1071893617.db2.gz WRKMHXDMBYEMOI-LJNYTWTNSA-N 2 2 410.471 -1.593 20 0 HAADLP C[C@H]1C[NH+](CCc2nnc(CNC(=O)CNC(=O)CNC(=O)C[NH3+])o2)C[C@H](C)O1 ZINC001217721708 1072242875 /nfs/dbraw/zinc/24/28/75/1072242875.db2.gz LYKBVCWYSCDFCX-RYUDHWBXSA-N 2 2 411.463 -2.471 20 0 HAADLP C[C@@H]1C[N@H+](CCc2nnc(CNC(=O)CNC(=O)CNC(=O)C[NH3+])o2)C[C@H](C)O1 ZINC001217721709 1072242796 /nfs/dbraw/zinc/24/27/96/1072242796.db2.gz LYKBVCWYSCDFCX-TXEJJXNPSA-N 2 2 411.463 -2.471 20 0 HAADLP C[C@@H]1C[N@@H+](CCc2nnc(CNC(=O)CNC(=O)CNC(=O)C[NH3+])o2)C[C@H](C)O1 ZINC001217721709 1072242791 /nfs/dbraw/zinc/24/27/91/1072242791.db2.gz LYKBVCWYSCDFCX-TXEJJXNPSA-N 2 2 411.463 -2.471 20 0 HAADLP C[C@@H]1C[NH+](CCc2nnc(CNC(=O)CNC(=O)CNC(=O)C[NH3+])o2)C[C@@H](C)O1 ZINC001217721710 1072242932 /nfs/dbraw/zinc/24/29/32/1072242932.db2.gz LYKBVCWYSCDFCX-VXGBXAGGSA-N 2 2 411.463 -2.471 20 0 HAADLP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001218668404 1072247342 /nfs/dbraw/zinc/24/73/42/1072247342.db2.gz DBPDFXSZTQLGSB-UHFFFAOYSA-N 2 2 424.462 -3.539 20 0 HAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218779532 1072250770 /nfs/dbraw/zinc/25/07/70/1072250770.db2.gz NOZRUFRMYJHNRM-DRZSPHRISA-N 3 2 408.894 -1.067 20 0 HAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218779547 1072250669 /nfs/dbraw/zinc/25/06/69/1072250669.db2.gz NOZRUFRMYJHNRM-KGYLQXTDSA-N 3 2 408.894 -1.067 20 0 HAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218779550 1072250652 /nfs/dbraw/zinc/25/06/52/1072250652.db2.gz NOZRUFRMYJHNRM-WCFLWFBJSA-N 3 2 408.894 -1.067 20 0 HAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218779553 1072250691 /nfs/dbraw/zinc/25/06/91/1072250691.db2.gz NOZRUFRMYJHNRM-WXHSDQCUSA-N 3 2 408.894 -1.067 20 0 HAADLP Nc1ncn(C(=O)c2cnc3n2CC[NH2+]C3)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218783529 1072252002 /nfs/dbraw/zinc/25/20/02/1072252002.db2.gz NZROJHSYUWPELA-CMPLNLGQSA-N 2 2 406.878 -1.022 20 0 HAADLP Nc1ncn(C(=O)c2cnc3n2CC[NH2+]C3)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218783531 1072251746 /nfs/dbraw/zinc/25/17/46/1072251746.db2.gz NZROJHSYUWPELA-JQWIXIFHSA-N 2 2 406.878 -1.022 20 0 HAADLP Nc1ncn(C(=O)c2cnc3n2CC[NH2+]C3)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218783533 1072251777 /nfs/dbraw/zinc/25/17/77/1072251777.db2.gz NZROJHSYUWPELA-PWSUYJOCSA-N 2 2 406.878 -1.022 20 0 HAADLP Nc1ncn(C(=O)c2cnc3n2CC[NH2+]C3)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218783535 1072252453 /nfs/dbraw/zinc/25/24/53/1072252453.db2.gz NZROJHSYUWPELA-ZYHUDNBSSA-N 2 2 406.878 -1.022 20 0 HAADLP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001218848716 1072252940 /nfs/dbraw/zinc/25/29/40/1072252940.db2.gz QUCLTJYHRQSGTO-UHFFFAOYSA-N 2 2 401.427 -1.823 20 0 HAADLP NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)C2([NH3+])CC[NH2+]CC2)cc1Cl ZINC001218877591 1072253601 /nfs/dbraw/zinc/25/36/01/1072253601.db2.gz TYFFJVYBEGVWBK-UHFFFAOYSA-N 2 2 411.893 -1.346 20 0 HAADLP NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)cc1Cl ZINC001218878363 1072254121 /nfs/dbraw/zinc/25/41/21/1072254121.db2.gz CGLSBQBDSGFASK-MRVPVSSYSA-N 2 2 422.876 -1.134 20 0 HAADLP NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)cc1Cl ZINC001218878369 1072254032 /nfs/dbraw/zinc/25/40/32/1072254032.db2.gz CGLSBQBDSGFASK-QMMMGPOBSA-N 2 2 422.876 -1.134 20 0 HAADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC001218988084 1072255350 /nfs/dbraw/zinc/25/53/50/1072255350.db2.gz BYMACNGIBGBLSC-YOEHRIQHSA-N 2 2 420.514 -1.340 20 0 HAADLP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCCn1cc[nH+]c1)C(=O)CF ZINC001219563688 1072256513 /nfs/dbraw/zinc/25/65/13/1072256513.db2.gz HYFJHFQBTYEIHW-XEZPLFJOSA-N 2 2 412.466 -1.099 20 0 HAADLP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001219567548 1072257230 /nfs/dbraw/zinc/25/72/30/1072257230.db2.gz ODYGMLKKMKWDDA-YOEHRIQHSA-N 2 2 421.498 -1.279 20 0 HAADLP [NH3+][C@H](Cc1cn(C=O)c2ccccc12)C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676277 1072257125 /nfs/dbraw/zinc/25/71/25/1072257125.db2.gz DLGSXLLKPPEFCZ-MRXNPFEDSA-N 2 2 407.496 -1.099 20 0 HAADLP [NH3+][C@@H](CCCCNC(=O)C(F)(F)F)C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678216 1072257956 /nfs/dbraw/zinc/25/79/56/1072257956.db2.gz HPMTYDIDPBNQSV-NSHDSACASA-N 2 2 417.454 -1.486 20 0 HAADLP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219807487 1072259556 /nfs/dbraw/zinc/25/95/56/1072259556.db2.gz GKXVMBOQTHSDLW-JSGCOSHPSA-N 2 2 419.486 -2.193 20 0 HAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCC[NH2+]2)C[NH2+]1 ZINC001219967902 1072262190 /nfs/dbraw/zinc/26/21/90/1072262190.db2.gz NZBUNTFLYNEBIX-QPSCCSFWSA-N 2 2 411.503 -1.595 20 0 HAADLP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)NCC1([NH+]2CCCC2)COC1 ZINC001220197765 1072264528 /nfs/dbraw/zinc/26/45/28/1072264528.db2.gz QYGSSMSZSDIBQV-IRXDYDNUSA-N 2 2 406.483 -1.280 20 0 HAADLP COCCn1c[nH+]cc1CNC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC001220274649 1072265359 /nfs/dbraw/zinc/26/53/59/1072265359.db2.gz MGCSEHXSPFEOSF-IRXDYDNUSA-N 2 2 405.455 -1.102 20 0 HAADLP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)[C@@H](O)OC(C)(C)C)C1 ZINC001220506840 1072268342 /nfs/dbraw/zinc/26/83/42/1072268342.db2.gz QADNSQQTADDULU-AAQOISQYSA-N 4 2 401.552 -1.029 20 0 HAADLP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)[C@H](O)OC(C)(C)C)C1 ZINC001220506841 1072268359 /nfs/dbraw/zinc/26/83/59/1072268359.db2.gz QADNSQQTADDULU-DISWMANOSA-N 4 2 401.552 -1.029 20 0 HAADLP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)[C@H](O)OC(C)(C)C)C1 ZINC001220506842 1072268475 /nfs/dbraw/zinc/26/84/75/1072268475.db2.gz QADNSQQTADDULU-GAFCNROLSA-N 4 2 401.552 -1.029 20 0 HAADLP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)[C@H](O)OC(C)(C)C)C1 ZINC001220506843 1072268511 /nfs/dbraw/zinc/26/85/11/1072268511.db2.gz QADNSQQTADDULU-JPWZUXQISA-N 4 2 401.552 -1.029 20 0 HAADLP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)[C@@H](O)OC(C)(C)C)C1 ZINC001220506844 1072268405 /nfs/dbraw/zinc/26/84/05/1072268405.db2.gz QADNSQQTADDULU-JXVUMFGISA-N 4 2 401.552 -1.029 20 0 HAADLP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)[C@@H](O)OC(C)(C)C)C1 ZINC001220506845 1072268603 /nfs/dbraw/zinc/26/86/03/1072268603.db2.gz QADNSQQTADDULU-UYBGIQSRSA-N 4 2 401.552 -1.029 20 0 HAADLP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)[C@H](O)OC(C)(C)C)C1 ZINC001220506846 1072268551 /nfs/dbraw/zinc/26/85/51/1072268551.db2.gz QADNSQQTADDULU-WWKLNKTQSA-N 4 2 401.552 -1.029 20 0 HAADLP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)[C@@H](O)OC(C)(C)C)C1 ZINC001220506847 1072268578 /nfs/dbraw/zinc/26/85/78/1072268578.db2.gz QADNSQQTADDULU-ZDXZYRICSA-N 4 2 401.552 -1.029 20 0 HAADLP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)c2nonc21 ZINC001220748074 1072271989 /nfs/dbraw/zinc/27/19/89/1072271989.db2.gz DHUJAPWTAATVAK-AGKHESDQSA-N 3 2 423.499 -1.013 20 0 HAADLP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)C2([NH3+])CC[NH2+]CC2)c2nonc21 ZINC001220749423 1072272448 /nfs/dbraw/zinc/27/24/48/1072272448.db2.gz VLUYOSUPYBEGNP-UHFFFAOYSA-N 3 2 411.488 -1.154 20 0 HAADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001220769019 1072272541 /nfs/dbraw/zinc/27/25/41/1072272541.db2.gz GXWMYYYTKDXZME-LLVKDONJSA-N 2 2 411.419 -4.072 20 0 HAADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001220769020 1072273076 /nfs/dbraw/zinc/27/30/76/1072273076.db2.gz GXWMYYYTKDXZME-NSHDSACASA-N 2 2 411.419 -4.072 20 0 HAADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]([NH3+])CCCNC(=O)c1cnccn1 ZINC001220769999 1072273199 /nfs/dbraw/zinc/27/31/99/1072273199.db2.gz STERBVPROSGUEC-KBPBESRZSA-N 2 2 403.443 -1.052 20 0 HAADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]([NH3+])CCCNC(=O)c1cnccn1 ZINC001220770000 1072273169 /nfs/dbraw/zinc/27/31/69/1072273169.db2.gz STERBVPROSGUEC-UONOGXRCSA-N 2 2 403.443 -1.052 20 0 HAADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001220771710 1072272985 /nfs/dbraw/zinc/27/29/85/1072272985.db2.gz CHTJJACXVGIKGN-UBHSHLNASA-N 2 2 408.459 -1.925 20 0 HAADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001220771722 1072273189 /nfs/dbraw/zinc/27/31/89/1072273189.db2.gz CHTJJACXVGIKGN-YUTCNCBUSA-N 2 2 408.459 -1.925 20 0 HAADLP CN1CC[N@@H+](C)C[C@H]1c1nnc2ccc(C(=O)NCCN3CC[NH2+]CC3=O)cn21 ZINC001220876309 1072273787 /nfs/dbraw/zinc/27/37/87/1072273787.db2.gz HSXYLBKACXHHQL-HNNXBMFYSA-N 2 2 400.487 -1.191 20 0 HAADLP CN1CC[N@H+](C)C[C@H]1c1nnc2ccc(C(=O)NCCN3CC[NH2+]CC3=O)cn21 ZINC001220876309 1072273779 /nfs/dbraw/zinc/27/37/79/1072273779.db2.gz HSXYLBKACXHHQL-HNNXBMFYSA-N 2 2 400.487 -1.191 20 0 HAADLP CN1CC[N@@H+](C)C[C@@H]1c1nnc2ccc(C(=O)NCCN3CC[NH2+]CC3=O)cn21 ZINC001220876327 1072273967 /nfs/dbraw/zinc/27/39/67/1072273967.db2.gz HSXYLBKACXHHQL-OAHLLOKOSA-N 2 2 400.487 -1.191 20 0 HAADLP CN1CC[N@H+](C)C[C@@H]1c1nnc2ccc(C(=O)NCCN3CC[NH2+]CC3=O)cn21 ZINC001220876327 1072273958 /nfs/dbraw/zinc/27/39/58/1072273958.db2.gz HSXYLBKACXHHQL-OAHLLOKOSA-N 2 2 400.487 -1.191 20 0 HAADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001221257088 1072277414 /nfs/dbraw/zinc/27/74/14/1072277414.db2.gz XLZWYAYTSIPMOB-QEJZJMRPSA-N 2 2 422.486 -1.535 20 0 HAADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001221257091 1072277638 /nfs/dbraw/zinc/27/76/38/1072277638.db2.gz XNNDLTHIRKARJN-KBPBESRZSA-N 2 2 402.459 -1.052 20 0 HAADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001221257092 1072277619 /nfs/dbraw/zinc/27/76/19/1072277619.db2.gz XNNDLTHIRKARJN-KGLIPLIRSA-N 2 2 402.459 -1.052 20 0 HAADLP [NH3+][C@@H](Cc1ccc(I)cc1)C(=O)N1CN[C@@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001221265434 1072277335 /nfs/dbraw/zinc/27/73/35/1072277335.db2.gz MCEBOLABTYLUAC-LOWDOPEQSA-N 2 2 416.267 -1.320 20 0 HAADLP [NH3+][C@@H](Cc1ccc(I)cc1)C(=O)N1CN[C@@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001221265435 1072277643 /nfs/dbraw/zinc/27/76/43/1072277643.db2.gz MCEBOLABTYLUAC-RVMXOQNASA-N 2 2 416.267 -1.320 20 0 HAADLP [NH3+][C@@H](Cc1ccc(I)cc1)C(=O)N1CN[C@@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001221265436 1072277480 /nfs/dbraw/zinc/27/74/80/1072277480.db2.gz MCEBOLABTYLUAC-UMSGYPCISA-N 2 2 416.267 -1.320 20 0 HAADLP [NH3+][C@@H](Cc1ccc(I)cc1)C(=O)N1CN[C@@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001221265437 1072277555 /nfs/dbraw/zinc/27/75/55/1072277555.db2.gz MCEBOLABTYLUAC-WUHRBBMRSA-N 2 2 416.267 -1.320 20 0 HAADLP [NH3+][C@@H](Cc1cn(COCc2ccccc2)cn1)C(=O)N1CN[C@@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001221265636 1072278297 /nfs/dbraw/zinc/27/82/97/1072278297.db2.gz NWPFFVSKGMMOMQ-BSDSXHPESA-N 2 2 400.487 -1.554 20 0 HAADLP [NH3+][C@@H](Cc1cn(COCc2ccccc2)cn1)C(=O)N1CN[C@@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001221265637 1072278203 /nfs/dbraw/zinc/27/82/03/1072278203.db2.gz NWPFFVSKGMMOMQ-FJIDUMEYSA-N 2 2 400.487 -1.554 20 0 HAADLP [NH3+][C@@H](Cc1cn(COCc2ccccc2)cn1)C(=O)N1CN[C@@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001221265638 1072278375 /nfs/dbraw/zinc/27/83/75/1072278375.db2.gz NWPFFVSKGMMOMQ-MLHJIOFPSA-N 2 2 400.487 -1.554 20 0 HAADLP [NH3+][C@@H](Cc1cn(COCc2ccccc2)cn1)C(=O)N1CN[C@@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001221265639 1072278331 /nfs/dbraw/zinc/27/83/31/1072278331.db2.gz NWPFFVSKGMMOMQ-WNRNVDISSA-N 2 2 400.487 -1.554 20 0 HAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001221347619 1072279367 /nfs/dbraw/zinc/27/93/67/1072279367.db2.gz AQDVDNJOXQISSS-ZUOZUFPHSA-N 2 2 418.498 -1.072 20 0 HAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001221347619 1072279351 /nfs/dbraw/zinc/27/93/51/1072279351.db2.gz AQDVDNJOXQISSS-ZUOZUFPHSA-N 2 2 418.498 -1.072 20 0 HAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1C[NH2+]C[C@H]2CCO[C@H]21 ZINC001221347633 1072279314 /nfs/dbraw/zinc/27/93/14/1072279314.db2.gz AQUHQVBTGZVFKE-NZBFACKJSA-N 2 2 404.471 -1.462 20 0 HAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1C[NH2+]C[C@H]2CCO[C@H]21 ZINC001221347633 1072279299 /nfs/dbraw/zinc/27/92/99/1072279299.db2.gz AQUHQVBTGZVFKE-NZBFACKJSA-N 2 2 404.471 -1.462 20 0 HAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1C[NH2+]C[C@@H]2CCO[C@@H]21 ZINC001221347634 1072278979 /nfs/dbraw/zinc/27/89/79/1072278979.db2.gz AQUHQVBTGZVFKE-TXUJKZCJSA-N 2 2 404.471 -1.462 20 0 HAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1C[NH2+]C[C@@H]2CCO[C@@H]21 ZINC001221347634 1072278971 /nfs/dbraw/zinc/27/89/71/1072278971.db2.gz AQUHQVBTGZVFKE-TXUJKZCJSA-N 2 2 404.471 -1.462 20 0 HAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1C[NH2+]C[C@H]2CCO[C@@H]21 ZINC001221347635 1072278683 /nfs/dbraw/zinc/27/86/83/1072278683.db2.gz AQUHQVBTGZVFKE-VMMWWAARSA-N 2 2 404.471 -1.462 20 0 HAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1C[NH2+]C[C@H]2CCO[C@@H]21 ZINC001221347635 1072278671 /nfs/dbraw/zinc/27/86/71/1072278671.db2.gz AQUHQVBTGZVFKE-VMMWWAARSA-N 2 2 404.471 -1.462 20 0 HAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1C[NH2+]C[C@@H]2CCO[C@H]21 ZINC001221347636 1072278843 /nfs/dbraw/zinc/27/88/43/1072278843.db2.gz AQUHQVBTGZVFKE-YPUPRDRTSA-N 2 2 404.471 -1.462 20 0 HAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1C[NH2+]C[C@@H]2CCO[C@H]21 ZINC001221347636 1072278828 /nfs/dbraw/zinc/27/88/28/1072278828.db2.gz AQUHQVBTGZVFKE-YPUPRDRTSA-N 2 2 404.471 -1.462 20 0 HAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001221347947 1072279411 /nfs/dbraw/zinc/27/94/11/1072279411.db2.gz FBYVXYCLRZMEQH-IHRRRGAJSA-N 2 2 405.459 -2.756 20 0 HAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001221347965 1072279177 /nfs/dbraw/zinc/27/91/77/1072279177.db2.gz FBYVXYCLRZMEQH-MJBXVCDLSA-N 2 2 405.459 -2.756 20 0 HAADLP CN(CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O)[C@H]1CCC[NH2+]C1 ZINC001221348128 1072279033 /nfs/dbraw/zinc/27/90/33/1072279033.db2.gz GNKJZDBFIFXRSH-JYJNAYRXSA-N 2 2 405.503 -1.403 20 0 HAADLP CN(CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O)[C@H]1CCC[NH2+]C1 ZINC001221348128 1072279029 /nfs/dbraw/zinc/27/90/29/1072279029.db2.gz GNKJZDBFIFXRSH-JYJNAYRXSA-N 2 2 405.503 -1.403 20 0 HAADLP CN(CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O)[C@@H]1CCC[NH2+]C1 ZINC001221348129 1072279115 /nfs/dbraw/zinc/27/91/15/1072279115.db2.gz GNKJZDBFIFXRSH-PMPSAXMXSA-N 2 2 405.503 -1.403 20 0 HAADLP CN(CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O)[C@@H]1CCC[NH2+]C1 ZINC001221348129 1072279109 /nfs/dbraw/zinc/27/91/09/1072279109.db2.gz GNKJZDBFIFXRSH-PMPSAXMXSA-N 2 2 405.503 -1.403 20 0 HAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1C[NH2+]CC12CCOCC2 ZINC001221348140 1072278891 /nfs/dbraw/zinc/27/88/91/1072278891.db2.gz HBINCPLMMDZQMI-JYJNAYRXSA-N 2 2 418.498 -1.071 20 0 HAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1C[NH2+]CC12CCOCC2 ZINC001221348140 1072278877 /nfs/dbraw/zinc/27/88/77/1072278877.db2.gz HBINCPLMMDZQMI-JYJNAYRXSA-N 2 2 418.498 -1.071 20 0 HAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1C[NH2+]CC12CCOCC2 ZINC001221348142 1072279223 /nfs/dbraw/zinc/27/92/23/1072279223.db2.gz HBINCPLMMDZQMI-PMPSAXMXSA-N 2 2 418.498 -1.071 20 0 HAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1C[NH2+]CC12CCOCC2 ZINC001221348142 1072279210 /nfs/dbraw/zinc/27/92/10/1072279210.db2.gz HBINCPLMMDZQMI-PMPSAXMXSA-N 2 2 418.498 -1.071 20 0 HAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC001221348143 1072278754 /nfs/dbraw/zinc/27/87/54/1072278754.db2.gz HBNQFLIAMCMSTH-IHRRRGAJSA-N 2 2 405.459 -2.219 20 0 HAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC001221348143 1072278741 /nfs/dbraw/zinc/27/87/41/1072278741.db2.gz HBNQFLIAMCMSTH-IHRRRGAJSA-N 2 2 405.459 -2.219 20 0 HAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1=NO[C@]2(CC[NH2+]C2)C1 ZINC001221348183 1072278942 /nfs/dbraw/zinc/27/89/42/1072278942.db2.gz IAOKDINKXZZXGW-XAYKYTGQSA-N 2 2 403.443 -1.578 20 0 HAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1=NO[C@]2(CC[NH2+]C2)C1 ZINC001221348183 1072278931 /nfs/dbraw/zinc/27/89/31/1072278931.db2.gz IAOKDINKXZZXGW-XAYKYTGQSA-N 2 2 403.443 -1.578 20 0 HAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1=NO[C@@]2(CC[NH2+]C2)C1 ZINC001221348187 1072279088 /nfs/dbraw/zinc/27/90/88/1072279088.db2.gz IAOKDINKXZZXGW-YEWDVWPNSA-N 2 2 403.443 -1.578 20 0 HAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1=NO[C@@]2(CC[NH2+]C2)C1 ZINC001221348187 1072279081 /nfs/dbraw/zinc/27/90/81/1072279081.db2.gz IAOKDINKXZZXGW-YEWDVWPNSA-N 2 2 403.443 -1.578 20 0 HAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C[C@H]1C[C@H]2C[NH2+]C[C@H]2O1 ZINC001221348199 1072279145 /nfs/dbraw/zinc/27/91/45/1072279145.db2.gz IGLZHMXNLPXKGZ-YPUPRDRTSA-N 2 2 404.471 -1.320 20 0 HAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C[C@H]1C[C@H]2C[NH2+]C[C@H]2O1 ZINC001221348199 1072279139 /nfs/dbraw/zinc/27/91/39/1072279139.db2.gz IGLZHMXNLPXKGZ-YPUPRDRTSA-N 2 2 404.471 -1.320 20 0 HAADLP C[NH2+][C@H]1CCCN(CC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)C1 ZINC001221348409 1072280143 /nfs/dbraw/zinc/28/01/43/1072280143.db2.gz JFPOZFQEPBUDPK-BPUTZDHNSA-N 2 2 405.503 -1.403 20 0 HAADLP C[NH2+][C@H]1CCCN(CC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)C1 ZINC001221348409 1072280137 /nfs/dbraw/zinc/28/01/37/1072280137.db2.gz JFPOZFQEPBUDPK-BPUTZDHNSA-N 2 2 405.503 -1.403 20 0 HAADLP C[NH2+][C@@H]1CCCN(CC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)C1 ZINC001221348412 1072279917 /nfs/dbraw/zinc/27/99/17/1072279917.db2.gz JFPOZFQEPBUDPK-KBMXLJTQSA-N 2 2 405.503 -1.403 20 0 HAADLP C[NH2+][C@@H]1CCCN(CC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)C1 ZINC001221348412 1072279907 /nfs/dbraw/zinc/27/99/07/1072279907.db2.gz JFPOZFQEPBUDPK-KBMXLJTQSA-N 2 2 405.503 -1.403 20 0 HAADLP CC(C)C[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221348499 1072279717 /nfs/dbraw/zinc/27/97/17/1072279717.db2.gz KIQQGLHZJCAKAT-KKUMJFAQSA-N 2 2 421.502 -1.597 20 0 HAADLP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221348611 1072280063 /nfs/dbraw/zinc/28/00/63/1072280063.db2.gz LWZHWROXKFNBPD-KBXIAJHMSA-N 2 2 420.470 -1.688 20 0 HAADLP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221348611 1072280059 /nfs/dbraw/zinc/28/00/59/1072280059.db2.gz LWZHWROXKFNBPD-KBXIAJHMSA-N 2 2 420.470 -1.688 20 0 HAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cnc2n1CC[NH2+]CC2 ZINC001221348685 1072280108 /nfs/dbraw/zinc/28/01/08/1072280108.db2.gz MXQKPYMODNTNCK-KBPBESRZSA-N 2 2 414.470 -1.431 20 0 HAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cnc2n1CC[NH2+]CC2 ZINC001221348685 1072280103 /nfs/dbraw/zinc/28/01/03/1072280103.db2.gz MXQKPYMODNTNCK-KBPBESRZSA-N 2 2 414.470 -1.431 20 0 HAADLP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221348844 1072279674 /nfs/dbraw/zinc/27/96/74/1072279674.db2.gz OIJNYFZYQOJRON-JYJNAYRXSA-N 3 2 407.519 -1.028 20 0 HAADLP CC(C)(C)[N@H+]1CCN[C@H](C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)C1 ZINC001221349138 1072280001 /nfs/dbraw/zinc/28/00/01/1072280001.db2.gz RNVOEXYLOSUXDP-JYJNAYRXSA-N 2 2 419.530 -1.014 20 0 HAADLP CC(C)(C)[N@@H+]1CCN[C@H](C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)C1 ZINC001221349138 1072279994 /nfs/dbraw/zinc/27/99/94/1072279994.db2.gz RNVOEXYLOSUXDP-JYJNAYRXSA-N 2 2 419.530 -1.014 20 0 HAADLP CC(C)(C)[N@H+]1CCN[C@@H](C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)C1 ZINC001221349139 1072280047 /nfs/dbraw/zinc/28/00/47/1072280047.db2.gz RNVOEXYLOSUXDP-XHSDSOJGSA-N 2 2 419.530 -1.014 20 0 HAADLP CC(C)(C)[N@@H+]1CCN[C@@H](C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)C1 ZINC001221349139 1072280042 /nfs/dbraw/zinc/28/00/42/1072280042.db2.gz RNVOEXYLOSUXDP-XHSDSOJGSA-N 2 2 419.530 -1.014 20 0 HAADLP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221349141 1072280689 /nfs/dbraw/zinc/28/06/89/1072280689.db2.gz RPWWXUVNSQTJPB-JYJNAYRXSA-N 2 2 421.502 -1.453 20 0 HAADLP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221349141 1072280685 /nfs/dbraw/zinc/28/06/85/1072280685.db2.gz RPWWXUVNSQTJPB-JYJNAYRXSA-N 2 2 421.502 -1.453 20 0 HAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]([NH3+])C1CCC(O)CC1 ZINC001221349144 1072280664 /nfs/dbraw/zinc/28/06/64/1072280664.db2.gz RQLFLBQJKXATIQ-AEOKXSGYSA-N 2 2 406.487 -1.208 20 0 HAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]([NH3+])C1CCC(O)CC1 ZINC001221349144 1072280659 /nfs/dbraw/zinc/28/06/59/1072280659.db2.gz RQLFLBQJKXATIQ-AEOKXSGYSA-N 2 2 406.487 -1.208 20 0 HAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CC[C@H]2[NH2+]CC[C@H]2O1 ZINC001221349161 1072280815 /nfs/dbraw/zinc/28/08/15/1072280815.db2.gz SGAQMGYBPIOLJB-LYYZXLFJSA-N 2 2 404.471 -1.177 20 0 HAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CC[C@H]2[NH2+]CC[C@H]2O1 ZINC001221349161 1072280803 /nfs/dbraw/zinc/28/08/03/1072280803.db2.gz SGAQMGYBPIOLJB-LYYZXLFJSA-N 2 2 404.471 -1.177 20 0 HAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001221349232 1072280774 /nfs/dbraw/zinc/28/07/74/1072280774.db2.gz UHKOMAGAPRYGAH-CTYUOQFJSA-N 3 2 403.487 -1.888 20 0 HAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001221349232 1072280765 /nfs/dbraw/zinc/28/07/65/1072280765.db2.gz UHKOMAGAPRYGAH-CTYUOQFJSA-N 3 2 403.487 -1.888 20 0 HAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1C[C@H]2C[NH2+]CC[C@@H]2O1 ZINC001221349245 1072281036 /nfs/dbraw/zinc/28/10/36/1072281036.db2.gz UNYDTSROFMXDFH-VLVIQNCWSA-N 2 2 404.471 -1.320 20 0 HAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1C[C@H]2C[NH2+]CC[C@@H]2O1 ZINC001221349245 1072281024 /nfs/dbraw/zinc/28/10/24/1072281024.db2.gz UNYDTSROFMXDFH-VLVIQNCWSA-N 2 2 404.471 -1.320 20 0 HAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC001221349367 1072280555 /nfs/dbraw/zinc/28/05/55/1072280555.db2.gz WNDGLWPUOSZJJC-KKUMJFAQSA-N 2 2 419.486 -1.747 20 0 HAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001221349440 1072280601 /nfs/dbraw/zinc/28/06/01/1072280601.db2.gz XEXLBRJWECLTBB-VLVIQNCWSA-N 2 2 404.471 -1.320 20 0 HAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001221349440 1072280596 /nfs/dbraw/zinc/28/05/96/1072280596.db2.gz XEXLBRJWECLTBB-VLVIQNCWSA-N 2 2 404.471 -1.320 20 0 HAADLP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221349469 1072280625 /nfs/dbraw/zinc/28/06/25/1072280625.db2.gz XOLVZDLMCXGEFW-MXAVVETBSA-N 2 2 419.486 -1.749 20 0 HAADLP CC(=O)NCCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221349538 1072280699 /nfs/dbraw/zinc/28/06/99/1072280699.db2.gz YEOLFTYFJFCOFQ-JYJNAYRXSA-N 2 2 421.502 -1.453 20 0 HAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1NC(=O)CC12C[NH2+]C2 ZINC001221349630 1072281496 /nfs/dbraw/zinc/28/14/96/1072281496.db2.gz ZYJTWOUSEMWLDE-OBJOEFQTSA-N 2 2 403.443 -2.609 20 0 HAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1NC(=O)CC12C[NH2+]C2 ZINC001221349630 1072281491 /nfs/dbraw/zinc/28/14/91/1072281491.db2.gz ZYJTWOUSEMWLDE-OBJOEFQTSA-N 2 2 403.443 -2.609 20 0 HAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1NC(=O)CC12C[NH2+]C2 ZINC001221349631 1072281395 /nfs/dbraw/zinc/28/13/95/1072281395.db2.gz ZYJTWOUSEMWLDE-SGMGOOAPSA-N 2 2 403.443 -2.609 20 0 HAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1NC(=O)CC12C[NH2+]C2 ZINC001221349631 1072281387 /nfs/dbraw/zinc/28/13/87/1072281387.db2.gz ZYJTWOUSEMWLDE-SGMGOOAPSA-N 2 2 403.443 -2.609 20 0 HAADLP CCOC(=O)CNC(=O)CNC(=O)C[NH2+]C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC001246001888 1072294924 /nfs/dbraw/zinc/29/49/24/1072294924.db2.gz PKLYFRUDJKHALO-LSDHHAIUSA-N 2 2 416.425 -1.419 20 0 HAADLP CN1CC[C@]2(CN(S(C)(=O)=O)CC23CC[NH+](C[C@@]2(O)CC[NH2+]C2)CC3)C1=O ZINC001246036504 1072294616 /nfs/dbraw/zinc/29/46/16/1072294616.db2.gz NOTKDXYIGZCHJJ-MSOLQXFVSA-N 2 2 400.545 -1.083 20 0 HAADLP CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CC[NH+](C[C@@]2(O)CC[NH2+]C2)CC3)C1=O ZINC001246036507 1072294838 /nfs/dbraw/zinc/29/48/38/1072294838.db2.gz NOTKDXYIGZCHJJ-QZTJIDSGSA-N 2 2 400.545 -1.083 20 0 HAADLP CN1CC[C@]2(CN(S(C)(=O)=O)CC23CC[NH+](C[C@]2(O)CC[NH2+]C2)CC3)C1=O ZINC001246036508 1072294848 /nfs/dbraw/zinc/29/48/48/1072294848.db2.gz NOTKDXYIGZCHJJ-ROUUACIJSA-N 2 2 400.545 -1.083 20 0 HAADLP CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CC[NH+](C[C@]2(O)CC[NH2+]C2)CC3)C1=O ZINC001246036509 1072294674 /nfs/dbraw/zinc/29/46/74/1072294674.db2.gz NOTKDXYIGZCHJJ-ZWKOTPCHSA-N 2 2 400.545 -1.083 20 0 HAADLP COCC(=O)NCc1cc(=O)n2c(n1)C[N@H+](C[C@@H](O)CC1(O)CC[NH2+]CC1)CCC2 ZINC001246039803 1072294869 /nfs/dbraw/zinc/29/48/69/1072294869.db2.gz ZKHAYOIPEYPICU-INIZCTEOSA-N 2 2 423.514 -1.423 20 0 HAADLP COCC(=O)NCc1cc(=O)n2c(n1)C[N@@H+](C[C@@H](O)CC1(O)CC[NH2+]CC1)CCC2 ZINC001246039803 1072294864 /nfs/dbraw/zinc/29/48/64/1072294864.db2.gz ZKHAYOIPEYPICU-INIZCTEOSA-N 2 2 423.514 -1.423 20 0 HAADLP COCC(=O)NCc1cc(=O)n2c(n1)C[N@H+](C[C@H](O)CC1(O)CC[NH2+]CC1)CCC2 ZINC001246039810 1072294909 /nfs/dbraw/zinc/29/49/09/1072294909.db2.gz ZKHAYOIPEYPICU-MRXNPFEDSA-N 2 2 423.514 -1.423 20 0 HAADLP COCC(=O)NCc1cc(=O)n2c(n1)C[N@@H+](C[C@H](O)CC1(O)CC[NH2+]CC1)CCC2 ZINC001246039810 1072294900 /nfs/dbraw/zinc/29/49/00/1072294900.db2.gz ZKHAYOIPEYPICU-MRXNPFEDSA-N 2 2 423.514 -1.423 20 0 HAADLP [NH3+]CCC(=O)N[C@@H](Cc1c[nH+]cn1[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1)C(=O)[O-] ZINC001246291296 1072296468 /nfs/dbraw/zinc/29/64/68/1072296468.db2.gz HPIINPNYTRVOAL-IHRRRGAJSA-N 2 2 410.500 -1.220 20 0 HAADLP [NH3+]CCC(=O)N[C@@H](Cc1c[nH+]cn1[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1)C(=O)[O-] ZINC001246291304 1072296510 /nfs/dbraw/zinc/29/65/10/1072296510.db2.gz HPIINPNYTRVOAL-RDBSUJKOSA-N 2 2 410.500 -1.220 20 0 HAADLP CC(C)(C)OC(=O)[C@@H]1C[C@H](Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)C[NH2+]1 ZINC001246316786 1072296792 /nfs/dbraw/zinc/29/67/92/1072296792.db2.gz UEAOIRLLSJJKNR-PAUVFPHUSA-N 2 2 411.459 -1.861 20 0 HAADLP CC(C)(C)OC(=O)[C@@H]1C[C@@H](Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)C[NH2+]1 ZINC001246316787 1072297102 /nfs/dbraw/zinc/29/71/02/1072297102.db2.gz UEAOIRLLSJJKNR-VDYPAOQASA-N 2 2 411.459 -1.861 20 0 HAADLP CCOC(=O)[C@@H]1C[C@@H](n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)CC[NH2+]1 ZINC001246372710 1072296959 /nfs/dbraw/zinc/29/69/59/1072296959.db2.gz DKGZIPLSWSHGHH-JZRPKSSGSA-N 2 2 421.458 -1.362 20 0 HAADLP CCOC(=O)[C@@H]1C[C@H](n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)CC[NH2+]1 ZINC001246372711 1072296902 /nfs/dbraw/zinc/29/69/02/1072296902.db2.gz DKGZIPLSWSHGHH-KSSYENDESA-N 2 2 421.458 -1.362 20 0 HAADLP COC(=O)[C@@H]1C[C@@H](n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)CC[NH2+]1 ZINC001246372784 1072296861 /nfs/dbraw/zinc/29/68/61/1072296861.db2.gz FNXMPMJSIKATKJ-KKJSVHSVSA-N 2 2 407.431 -1.752 20 0 HAADLP COC(=O)[C@@H]1C[C@H](n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)CC[NH2+]1 ZINC001246372785 1072297068 /nfs/dbraw/zinc/29/70/68/1072297068.db2.gz FNXMPMJSIKATKJ-YBXAARCKSA-N 2 2 407.431 -1.752 20 0 HAADLP COC(=O)C1C[C@@H]2CC([NH2+]CC(=O)N3CCC[C@H]3C(=O)NCC(N)=O)C[C@H](C1)[NH2+]2 ZINC001246489169 1072298163 /nfs/dbraw/zinc/29/81/63/1072298163.db2.gz XIXBYPFMQINURW-PCGVCOGMSA-N 2 2 409.487 -1.759 20 0 HAADLP [NH3+]CC(=O)NCC(=O)NCC(=O)NCc1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001248546340 1072300661 /nfs/dbraw/zinc/30/06/61/1072300661.db2.gz ALXGOKYRUYLRQZ-UHFFFAOYSA-N 2 2 412.410 -1.270 20 0 HAADLP [NH3+]CC(=O)NCC(=O)NCC(=O)NCc1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001248548117 1072301780 /nfs/dbraw/zinc/30/17/80/1072301780.db2.gz YBCAPZJWIWVJLK-UHFFFAOYSA-N 2 2 412.410 -1.270 20 0 HAADLP CCOC(=O)C[NH+]1CCC(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)CC1 ZINC001254399811 1072321405 /nfs/dbraw/zinc/32/14/05/1072321405.db2.gz QKVPYPADGRFJMC-BASLNEPJSA-N 2 2 411.459 -1.905 20 0 HAADLP O=S1(=O)C[C@H](N2CCOCC2)[C@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1 ZINC001254453423 1072321461 /nfs/dbraw/zinc/32/14/61/1072321461.db2.gz IBBHZEVJVRSAKT-MOPGFXCFSA-N 2 2 416.588 -1.130 20 0 HAADLP O=S1(=O)C[C@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)[C@@H](N2CCOCC2)C1 ZINC001254453424 1072322127 /nfs/dbraw/zinc/32/21/27/1072322127.db2.gz IBBHZEVJVRSAKT-OALUTQOASA-N 2 2 416.588 -1.130 20 0 HAADLP O=S1(=O)C[C@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)[C@H](N2CCOCC2)C1 ZINC001254453425 1072322025 /nfs/dbraw/zinc/32/20/25/1072322025.db2.gz IBBHZEVJVRSAKT-RBUKOAKNSA-N 2 2 416.588 -1.130 20 0 HAADLP O=S1(=O)C[C@@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)[C@H](N2CCOCC2)C1 ZINC001254453426 1072321835 /nfs/dbraw/zinc/32/18/35/1072321835.db2.gz IBBHZEVJVRSAKT-RTBURBONSA-N 2 2 416.588 -1.130 20 0 HAADLP CCO[C@@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C[NH+](C)C ZINC001255186867 1072324681 /nfs/dbraw/zinc/32/46/81/1072324681.db2.gz PEHQZTGGRDNKSI-INIZCTEOSA-N 2 2 420.580 -1.228 20 0 HAADLP CCO[C@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C[NH+](C)C ZINC001255186868 1072324497 /nfs/dbraw/zinc/32/44/97/1072324497.db2.gz PEHQZTGGRDNKSI-MRXNPFEDSA-N 2 2 420.580 -1.228 20 0 HAADLP CS(=O)(=O)N1CCC(n2c[nH+]cc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)CC1 ZINC001257230757 1072330135 /nfs/dbraw/zinc/33/01/35/1072330135.db2.gz DTUVGNOXVHYYKL-GJZGRUSLSA-N 2 2 412.516 -1.174 20 0 HAADLP CS(=O)(=O)N1CCC(NC(=O)C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)CC1 ZINC001307623346 1072372868 /nfs/dbraw/zinc/37/28/68/1072372868.db2.gz JXCLZUHLWKJFAX-UHFFFAOYSA-N 2 2 418.560 -1.314 20 0 HAADLP C[NH+](C)CCN1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1=O ZINC001311892570 1072379742 /nfs/dbraw/zinc/37/97/42/1072379742.db2.gz XCSQWPPQYSRRII-UHFFFAOYSA-N 2 2 403.549 -1.089 20 0 HAADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH+]2CCC(OCC(N)=O)CC2)CC1 ZINC001319328171 1072407814 /nfs/dbraw/zinc/40/78/14/1072407814.db2.gz IHNODUDZEOYRAZ-UHFFFAOYSA-N 2 2 416.486 -1.022 20 0 HAADLP CO[C@H](CNC(=O)[C@@H](C)N1CC[NH+](C)CC1)CNC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC001320063094 1072417170 /nfs/dbraw/zinc/41/71/70/1072417170.db2.gz BCSZOEUPNZRJOS-BCDXTJNWSA-N 2 2 412.579 -1.494 20 0 HAADLP COC(CNC(=O)[C@@H](C)N1CC[NH+](C)CC1)CNC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC001320063095 1072417050 /nfs/dbraw/zinc/41/70/50/1072417050.db2.gz BCSZOEUPNZRJOS-IAGOWNOFSA-N 2 2 412.579 -1.494 20 0 HAADLP COC(CNC(=O)[C@H](C)N1CC[NH+](C)CC1)CNC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC001320063096 1072417068 /nfs/dbraw/zinc/41/70/68/1072417068.db2.gz BCSZOEUPNZRJOS-IRXDYDNUSA-N 2 2 412.579 -1.494 20 0 HAADLP CC(=O)NCC(=O)NCC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001321606866 1072430603 /nfs/dbraw/zinc/43/06/03/1072430603.db2.gz QTHIDTMZWDPWLX-UHFFFAOYSA-N 2 2 410.519 -2.065 20 0 HAADLP C[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)[C@H](C)N1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC001324339682 1072449557 /nfs/dbraw/zinc/44/95/57/1072449557.db2.gz CPPMHMQWAKHGPY-FGTMMUONSA-N 2 2 412.579 -1.806 20 0 HAADLP C[C@H](C(=O)NC[C@H](O)CN(C)C(=O)[C@@H](C)N1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC001324339683 1072449438 /nfs/dbraw/zinc/44/94/38/1072449438.db2.gz CPPMHMQWAKHGPY-KURKYZTESA-N 2 2 412.579 -1.806 20 0 HAADLP C[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)[C@@H](C)N1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC001324339684 1072449579 /nfs/dbraw/zinc/44/95/79/1072449579.db2.gz CPPMHMQWAKHGPY-KZNAEPCWSA-N 2 2 412.579 -1.806 20 0 HAADLP C[C@H](C(=O)NC[C@H](O)CN(C)C(=O)[C@H](C)N1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC001324339685 1072449613 /nfs/dbraw/zinc/44/96/13/1072449613.db2.gz CPPMHMQWAKHGPY-SQNIBIBYSA-N 2 2 412.579 -1.806 20 0 HAADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)COCC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC001326910982 1072459279 /nfs/dbraw/zinc/45/92/79/1072459279.db2.gz QFLMEWNAGJSCNV-HDICACEKSA-N 2 2 412.579 -1.493 20 0 HAADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)COCC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC001326911028 1072459247 /nfs/dbraw/zinc/45/92/47/1072459247.db2.gz QFLMEWNAGJSCNV-QZTJIDSGSA-N 2 2 412.579 -1.493 20 0 HAADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)COCC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC001326911029 1072459306 /nfs/dbraw/zinc/45/93/06/1072459306.db2.gz QFLMEWNAGJSCNV-ROUUACIJSA-N 2 2 412.579 -1.493 20 0 HAADLP O=CN1CCC[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CCCN(C=O)CC3)CC2)CC1 ZINC001328203455 1072462584 /nfs/dbraw/zinc/46/25/84/1072462584.db2.gz GAHMFAWGLVKEHC-UHFFFAOYSA-N 2 2 422.530 -2.015 20 0 HAADLP O=CN1CCC[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CCCN(C=O)CC3)CC2)CC1 ZINC001328203455 1072462579 /nfs/dbraw/zinc/46/25/79/1072462579.db2.gz GAHMFAWGLVKEHC-UHFFFAOYSA-N 2 2 422.530 -2.015 20 0 HAADLP O=C(COCC(=O)N1CC(C[NH+]2CCOCC2)C1)N1CC(C[NH+]2CCOCC2)C1 ZINC001328455492 1072462272 /nfs/dbraw/zinc/46/22/72/1072462272.db2.gz IBVUFLKEURQKAL-UHFFFAOYSA-N 2 2 410.515 -1.416 20 0 HAADLP CN(C(=O)CN1CCC(=O)NC1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001339187742 1072371512 /nfs/dbraw/zinc/37/15/12/1072371512.db2.gz IOPIVCMURBVJMV-UHFFFAOYSA-N 2 2 408.503 -1.375 20 0 HAADLP CNS(=O)(=O)NCC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001443395013 1072500287 /nfs/dbraw/zinc/50/02/87/1072500287.db2.gz VRGPKSBWCVHWTB-UHFFFAOYSA-N 2 2 404.537 -2.263 20 0 HAADLP C[NH+](C)CCn1ccc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC001464099886 1072517986 /nfs/dbraw/zinc/51/79/86/1072517986.db2.gz GJMSXPBAUASVPG-UHFFFAOYSA-N 2 2 413.548 -1.305 20 0 HAADLP CN(C(=O)CC[C@@H]1NC(=O)NC1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001464841723 1072522150 /nfs/dbraw/zinc/52/21/50/1072522150.db2.gz ABCRCHAVOFFPPG-HNNXBMFYSA-N 2 2 408.503 -1.329 20 0 HAADLP CN(C(=O)CC[C@H]1NC(=O)NC1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001464841745 1072522090 /nfs/dbraw/zinc/52/20/90/1072522090.db2.gz ABCRCHAVOFFPPG-OAHLLOKOSA-N 2 2 408.503 -1.329 20 0 HAADLP CN(C(=O)CCCS(N)(=O)=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001464846526 1072522350 /nfs/dbraw/zinc/52/23/50/1072522350.db2.gz RCPSPAWHAUECRH-UHFFFAOYSA-N 2 2 403.549 -1.248 20 0 HAADLP CN(C(=O)Cn1cnc(C(N)=O)n1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001464846532 1072522325 /nfs/dbraw/zinc/52/23/25/1072522325.db2.gz RDNNIDZAWFJAGX-UHFFFAOYSA-N 2 2 406.491 -1.926 20 0 HAADLP C[NH+](C)CCn1nccc1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001540835261 1072582093 /nfs/dbraw/zinc/58/20/93/1072582093.db2.gz BZFRXJWIVSAORM-UHFFFAOYSA-N 2 2 413.548 -1.305 20 0 HAADLP Cc1nn(CC(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)c(=O)n1C ZINC001542905870 1072587475 /nfs/dbraw/zinc/58/74/75/1072587475.db2.gz HVWNCQGBTSDHGG-UHFFFAOYSA-N 2 2 407.519 -1.413 20 0 HAADLP CN(C(=O)C1=NN(CCO)C(=O)CC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001542906004 1072587590 /nfs/dbraw/zinc/58/75/90/1072587590.db2.gz NCOLGSXLBVCDPU-UHFFFAOYSA-N 2 2 422.530 -1.346 20 0 HAADLP CN(C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001615430057 1072655600 /nfs/dbraw/zinc/65/56/00/1072655600.db2.gz YNWDBVXLKBLKAD-ZHALLVOQSA-N 2 2 410.515 -1.904 20 0 HAADLP CN(C)S(=O)(=O)NCC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001615447928 1072655457 /nfs/dbraw/zinc/65/54/57/1072655457.db2.gz FVDUYBFWXZBKAM-UHFFFAOYSA-N 2 2 418.564 -1.921 20 0 HAADLP C[NH+]1CCC(OCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC001624388170 1072675946 /nfs/dbraw/zinc/67/59/46/1072675946.db2.gz NWELEUKODODGSG-UHFFFAOYSA-N 2 2 403.549 -1.266 20 0 HAADLP CN(C(=O)CN1CC(=O)N(C)C1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001628178917 1072685386 /nfs/dbraw/zinc/68/53/86/1072685386.db2.gz JDUIIEWQUXVUAU-UHFFFAOYSA-N 2 2 408.503 -1.423 20 0 HAADLP CN(C(=O)C1(S(N)(=O)=O)CC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001628179361 1072685400 /nfs/dbraw/zinc/68/54/00/1072685400.db2.gz OFQFXOHDJCMLAI-UHFFFAOYSA-N 2 2 401.533 -1.496 20 0 HAADLP CN(C(=O)[C@@H]1CCS(=O)(=O)N1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001628180346 1072685488 /nfs/dbraw/zinc/68/54/88/1072685488.db2.gz ZHCWWIKZTXAZST-HNNXBMFYSA-N 2 2 401.533 -1.625 20 0 HAADLP CN(C(=O)[C@H]1CCS(=O)(=O)N1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001628180348 1072685375 /nfs/dbraw/zinc/68/53/75/1072685375.db2.gz ZHCWWIKZTXAZST-OAHLLOKOSA-N 2 2 401.533 -1.625 20 0 HAADLP C[NH+](C)CCn1cc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC001629828966 1072690164 /nfs/dbraw/zinc/69/01/64/1072690164.db2.gz CXGIXSDEBZRDNG-UHFFFAOYSA-N 2 2 413.548 -1.305 20 0 HAADLP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001642676801 1072729105 /nfs/dbraw/zinc/72/91/05/1072729105.db2.gz UVZMRBABPDQZLH-KRWDZBQOSA-N 2 2 409.531 -1.068 20 0 HAADLP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001642676802 1072729063 /nfs/dbraw/zinc/72/90/63/1072729063.db2.gz UVZMRBABPDQZLH-QGZVFWFLSA-N 2 2 409.531 -1.068 20 0 HAADLP