smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1nc(NC[C@@H](C)N2CC[NH+](C)CC2)nc(NC[C@H](C)N2CC[NH+](C)CC2)n1 ZINC000426902561 1071054247 /nfs/dbraw/zinc/05/42/47/1071054247.db2.gz AFEOJMOTRRIPCH-CALCHBBNSA-N 2 0 421.594 -1.180 20 0 HAADRP COc1nc(NC[C@@H](C)N2CC[NH+](C)CC2)nc(NC[C@@H](C)N2CC[NH+](C)CC2)n1 ZINC000426902562 1071054814 /nfs/dbraw/zinc/05/48/14/1071054814.db2.gz AFEOJMOTRRIPCH-IAGOWNOFSA-N 2 0 421.594 -1.180 20 0 HAADRP COc1nc(NC[C@H](C)N2CC[NH+](C)CC2)nc(NC[C@H](C)N2CC[NH+](C)CC2)n1 ZINC000426902563 1071054792 /nfs/dbraw/zinc/05/47/92/1071054792.db2.gz AFEOJMOTRRIPCH-IRXDYDNUSA-N 2 0 421.594 -1.180 20 0 HAADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000439219035 1071037486 /nfs/dbraw/zinc/03/74/86/1071037486.db2.gz YEYIZWDEVFRXEF-HNNXBMFYSA-N 2 0 422.534 -0.821 20 0 HAADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000439219036 1071037327 /nfs/dbraw/zinc/03/73/27/1071037327.db2.gz YEYIZWDEVFRXEF-OAHLLOKOSA-N 2 0 422.534 -0.821 20 0 HAADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ncn(CC(=O)NC)n1 ZINC000439226676 1071037866 /nfs/dbraw/zinc/03/78/66/1071037866.db2.gz WQNYAQYWKVJQEA-AWEZNQCLSA-N 2 0 408.507 -1.163 20 0 HAADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ncn(CC(=O)NC)n1 ZINC000439226677 1071037940 /nfs/dbraw/zinc/03/79/40/1071037940.db2.gz WQNYAQYWKVJQEA-CQSZACIVSA-N 2 0 408.507 -1.163 20 0 HAADRP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CC(=O)N1CCN(C(=O)C[NH2+][C@@H]2C(=O)NCC[C@H]2C)CC1 ZINC000441336215 1071066383 /nfs/dbraw/zinc/06/63/83/1071066383.db2.gz HAPHIKKGLWKYOA-DTDBQYNISA-N 2 0 422.530 -2.114 20 0 HAADRP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CC(=O)N1CCN(C(=O)C[NH2+][C@H]2C(=O)NCC[C@H]2C)CC1 ZINC000441336218 1071066817 /nfs/dbraw/zinc/06/68/17/1071066817.db2.gz HAPHIKKGLWKYOA-DTTOXWODSA-N 2 0 422.530 -2.114 20 0 HAADRP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CC(=O)N1CCN(C(=O)C[NH2+][C@H]2C(=O)NCC[C@@H]2C)CC1 ZINC000441336220 1071066767 /nfs/dbraw/zinc/06/67/67/1071066767.db2.gz HAPHIKKGLWKYOA-LTCOOKNTSA-N 2 0 422.530 -2.114 20 0 HAADRP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CC(=O)N1CCN(C(=O)C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)CC1 ZINC000441336222 1071066581 /nfs/dbraw/zinc/06/65/81/1071066581.db2.gz HAPHIKKGLWKYOA-MHGIMSBQSA-N 2 0 422.530 -2.114 20 0 HAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000446717502 1071633843 /nfs/dbraw/zinc/63/38/43/1071633843.db2.gz SDHKVVNKBGQHRQ-UHFFFAOYSA-N 2 0 407.519 -0.604 20 0 HAADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000446797252 1071169603 /nfs/dbraw/zinc/16/96/03/1071169603.db2.gz PWJXOYXGJKFFDH-HNNXBMFYSA-N 2 0 405.503 -0.852 20 0 HAADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000446797253 1071169681 /nfs/dbraw/zinc/16/96/81/1071169681.db2.gz PWJXOYXGJKFFDH-OAHLLOKOSA-N 2 0 405.503 -0.852 20 0 HAADRP C[C@H](CO)[NH+]1CCCN(C(=O)COCC(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)CC1 ZINC000470066102 1071942205 /nfs/dbraw/zinc/94/22/05/1071942205.db2.gz LAPFSACVPNEYFU-HDICACEKSA-N 2 0 414.547 -1.167 20 0 HAADRP C[C@H](CO)[NH+]1CCCN(C(=O)COCC(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)CC1 ZINC000470066103 1071941990 /nfs/dbraw/zinc/94/19/90/1071941990.db2.gz LAPFSACVPNEYFU-QZTJIDSGSA-N 2 0 414.547 -1.167 20 0 HAADRP C[C@@H](CO)[NH+]1CCCN(C(=O)COCC(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)CC1 ZINC000470066104 1071942125 /nfs/dbraw/zinc/94/21/25/1071942125.db2.gz LAPFSACVPNEYFU-ROUUACIJSA-N 2 0 414.547 -1.167 20 0 HAADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000477675074 1071258900 /nfs/dbraw/zinc/25/89/00/1071258900.db2.gz JHQRBJHQBXURSJ-KRWDZBQOSA-N 2 0 409.531 -1.022 20 0 HAADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000477675964 1071259180 /nfs/dbraw/zinc/25/91/80/1071259180.db2.gz JHQRBJHQBXURSJ-QGZVFWFLSA-N 2 0 409.531 -1.022 20 0 HAADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000477681094 1071259149 /nfs/dbraw/zinc/25/91/49/1071259149.db2.gz UKEVGKNKQOYRMD-UHFFFAOYSA-N 2 0 409.531 -1.020 20 0 HAADRP C[NH+]1CCN(CCN=c2cc(NCCN3CC[NH+](C)CC3)n3[nH]cnc3n2)CC1 ZINC000479932346 1071601628 /nfs/dbraw/zinc/60/16/28/1071601628.db2.gz NUEUREMFTYABQJ-UHFFFAOYSA-N 2 0 402.551 -1.135 20 0 HAADRP CN1CC[NH+](C)C[C@H]1CN=c1cc(NC[C@H]2C[N@@H+](C)CCN2C)n2[nH]cnc2n1 ZINC000480009736 1071601900 /nfs/dbraw/zinc/60/19/00/1071601900.db2.gz COLHNZNKQLLTBP-CVEARBPZSA-N 2 0 402.551 -1.138 20 0 HAADRP CN1CC[NH+](C)C[C@@H]1CN=c1cc(NC[C@H]2C[N@@H+](C)CCN2C)n2[nH]cnc2n1 ZINC000480009740 1071601830 /nfs/dbraw/zinc/60/18/30/1071601830.db2.gz COLHNZNKQLLTBP-HOTGVXAUSA-N 2 0 402.551 -1.138 20 0 HAADRP CN1CC[NH+](C)C[C@H]1CN=c1cc(NC[C@@H]2C[N@@H+](C)CCN2C)n2[nH]cnc2n1 ZINC000480009744 1071601873 /nfs/dbraw/zinc/60/18/73/1071601873.db2.gz COLHNZNKQLLTBP-HZPDHXFCSA-N 2 0 402.551 -1.138 20 0 HAADRP CN1CC[N@H+](C)C[C@H]1CNc1cc(=NC[C@H]2C[NH+](C)CCN2C)nc2nc[nH]n21 ZINC000480009748 1071601581 /nfs/dbraw/zinc/60/15/81/1071601581.db2.gz COLHNZNKQLLTBP-JKSUJKDBSA-N 2 0 402.551 -1.138 20 0 HAADRP C[C@@]1(C(N)=O)CC[N@H+](CC(=O)N2CCN(C(=O)C[NH+]3CC[C@](C)(C(N)=O)C3)CC2)C1 ZINC000483287788 1071335750 /nfs/dbraw/zinc/33/57/50/1071335750.db2.gz YMRNMHGLOLEBDF-BGYRXZFFSA-N 2 0 422.530 -1.948 20 0 HAADRP C[C@]1(C(N)=O)CC[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CC[C@](C)(C(N)=O)C3)CC2)C1 ZINC000483287796 1071335839 /nfs/dbraw/zinc/33/58/39/1071335839.db2.gz YMRNMHGLOLEBDF-PMACEKPBSA-N 2 0 422.530 -1.948 20 0 HAADRP C[C@@]1(C(N)=O)CC[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CC[C@@](C)(C(N)=O)C3)CC2)C1 ZINC000483287798 1071335895 /nfs/dbraw/zinc/33/58/95/1071335895.db2.gz YMRNMHGLOLEBDF-WOJBJXKFSA-N 2 0 422.530 -1.948 20 0 HAADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cn1 ZINC000490518750 1071369409 /nfs/dbraw/zinc/36/94/09/1071369409.db2.gz CQHAQSWDCXIDGO-INIZCTEOSA-N 2 0 403.487 -1.028 20 0 HAADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cn1 ZINC000490518751 1071369545 /nfs/dbraw/zinc/36/95/45/1071369545.db2.gz CQHAQSWDCXIDGO-MRXNPFEDSA-N 2 0 403.487 -1.028 20 0 HAADRP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000492811851 1071643019 /nfs/dbraw/zinc/64/30/19/1071643019.db2.gz XKQFNFWVXPBHNP-UHFFFAOYSA-N 2 0 424.590 -1.441 20 0 HAADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)CC1 ZINC000496368828 1071494307 /nfs/dbraw/zinc/49/43/07/1071494307.db2.gz ZSWWWCJXPOMGCX-KRWDZBQOSA-N 2 0 422.574 -1.106 20 0 HAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)CC1 ZINC000496368830 1071494202 /nfs/dbraw/zinc/49/42/02/1071494202.db2.gz ZSWWWCJXPOMGCX-QGZVFWFLSA-N 2 0 422.574 -1.106 20 0 HAADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1(C)C ZINC000496394086 1071495698 /nfs/dbraw/zinc/49/56/98/1071495698.db2.gz LLKJLDCMKILFSM-UHFFFAOYSA-N 2 0 422.574 -1.105 20 0 HAADRP CN(CCCNC(=O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1)S(C)(=O)=O ZINC000507385735 1071056396 /nfs/dbraw/zinc/05/63/96/1071056396.db2.gz KXERZVRULUKKOH-UHFFFAOYSA-N 2 0 405.565 -1.226 20 0 HAADRP Cn1c2ncn(CC[NH+]3CCC(C(=O)NCC[NH+](C)C)CC3)c2c(=O)n(C)c1=O ZINC000507434341 1071056811 /nfs/dbraw/zinc/05/68/11/1071056811.db2.gz QQTALEYRGYYXOZ-UHFFFAOYSA-N 2 0 405.503 -1.177 20 0 HAADRP CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)CC1 ZINC000507439017 1071056865 /nfs/dbraw/zinc/05/68/65/1071056865.db2.gz BTNVNYKDZKAXAM-UHFFFAOYSA-N 2 0 410.563 -1.391 20 0 HAADRP CO[C@H](CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)CNC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000514411072 1071005431 /nfs/dbraw/zinc/00/54/31/1071005431.db2.gz BDPHCXLEBCEPAC-NNZMDNLPSA-N 2 0 408.547 -1.986 20 0 HAADRP COC(CNC(=O)[C@H]1C[NH+]2CCN1CCC2)CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000514411080 1071005391 /nfs/dbraw/zinc/00/53/91/1071005391.db2.gz BDPHCXLEBCEPAC-QZTJIDSGSA-N 2 0 408.547 -1.986 20 0 HAADRP COC(CNC(=O)[C@@H]1C[NH+]2CCN1CCC2)CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000514411081 1071005850 /nfs/dbraw/zinc/00/58/50/1071005850.db2.gz BDPHCXLEBCEPAC-ROUUACIJSA-N 2 0 408.547 -1.986 20 0 HAADRP Cn1c(=O)c2cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cnc2n(C)c1=O ZINC000525882431 1071177193 /nfs/dbraw/zinc/17/71/93/1071177193.db2.gz PSWIPYCWIAHKGY-UHFFFAOYSA-N 2 0 419.486 -1.478 20 0 HAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000525882752 1071177024 /nfs/dbraw/zinc/17/70/24/1071177024.db2.gz HTXDRNWUDAUUSI-UHFFFAOYSA-N 2 0 423.518 -1.368 20 0 HAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000525882777 1071176875 /nfs/dbraw/zinc/17/68/75/1071176875.db2.gz WUGUZAVYSDEPIZ-UHFFFAOYSA-N 2 0 405.503 -1.092 20 0 HAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000526131995 1071179241 /nfs/dbraw/zinc/17/92/41/1071179241.db2.gz SGECTXVKGYQCEG-UHFFFAOYSA-N 2 0 423.518 -1.368 20 0 HAADRP COC[C@H](CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)NC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000527117417 1071185838 /nfs/dbraw/zinc/18/58/38/1071185838.db2.gz JHFCLWWVWATVLK-BZSNNMDCSA-N 2 0 408.547 -1.986 20 0 HAADRP COC[C@H](CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)NC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000527117418 1071185536 /nfs/dbraw/zinc/18/55/36/1071185536.db2.gz JHFCLWWVWATVLK-KSZLIROESA-N 2 0 408.547 -1.986 20 0 HAADRP COC[C@H](CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)NC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000527117419 1071185771 /nfs/dbraw/zinc/18/57/71/1071185771.db2.gz JHFCLWWVWATVLK-OKZBNKHCSA-N 2 0 408.547 -1.986 20 0 HAADRP COC[C@H](CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)NC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000527117420 1071185815 /nfs/dbraw/zinc/18/58/15/1071185815.db2.gz JHFCLWWVWATVLK-RCCFBDPRSA-N 2 0 408.547 -1.986 20 0 HAADRP COC(=O)[C@H]1CC[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CC[C@H](C(=O)OC)C3)CC2)C1 ZINC000532939099 1071219824 /nfs/dbraw/zinc/21/98/24/1071219824.db2.gz GDVNOJCRBAVFJE-HOTGVXAUSA-N 2 0 424.498 -1.353 20 0 HAADRP COC(=O)[C@@H]1CC[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CC[C@@H](C(=O)OC)C3)CC2)C1 ZINC000532939100 1071219947 /nfs/dbraw/zinc/21/99/47/1071219947.db2.gz GDVNOJCRBAVFJE-HZPDHXFCSA-N 2 0 424.498 -1.353 20 0 HAADRP COC(=O)[C@@H]1CC[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CC[C@H](C(=O)OC)C3)CC2)C1 ZINC000532939101 1071219988 /nfs/dbraw/zinc/21/99/88/1071219988.db2.gz GDVNOJCRBAVFJE-IYBDPMFKSA-N 2 0 424.498 -1.353 20 0 HAADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)CCN1C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000534278017 1071426137 /nfs/dbraw/zinc/42/61/37/1071426137.db2.gz NKOFFNGLHCMZKI-CEXWTWQISA-N 2 0 404.559 -1.175 20 0 HAADRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCN2CCC3)CCN1C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000534278021 1071426283 /nfs/dbraw/zinc/42/62/83/1071426283.db2.gz NKOFFNGLHCMZKI-GUDVDZBRSA-N 2 0 404.559 -1.175 20 0 HAADRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCN2CCC3)CCN1C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000534278022 1071426171 /nfs/dbraw/zinc/42/61/71/1071426171.db2.gz NKOFFNGLHCMZKI-QRVBRYPASA-N 2 0 404.559 -1.175 20 0 HAADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)CCN1C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000534278023 1071426412 /nfs/dbraw/zinc/42/64/12/1071426412.db2.gz NKOFFNGLHCMZKI-QYZOEREBSA-N 2 0 404.559 -1.175 20 0 HAADRP O=C(NC[C@H](NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)C1CC1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000536537819 1071206578 /nfs/dbraw/zinc/20/65/78/1071206578.db2.gz MLPFHDFOYNKFDU-FHWLQOOXSA-N 2 0 404.559 -1.223 20 0 HAADRP O=C(N[C@@H](CNC(=O)[C@@H]1C[NH+]2CCN1CCC2)C1CC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000536537820 1071206240 /nfs/dbraw/zinc/20/62/40/1071206240.db2.gz MLPFHDFOYNKFDU-GBESFXJTSA-N 2 0 404.559 -1.223 20 0 HAADRP O=C(NC[C@H](NC(=O)[C@H]1C[N@@H+]2CCN1CCC2)C1CC1)[C@H]1C[NH+]2CCN1CCC2 ZINC000536537821 1071206619 /nfs/dbraw/zinc/20/66/19/1071206619.db2.gz MLPFHDFOYNKFDU-IPMKNSEASA-N 2 0 404.559 -1.223 20 0 HAADRP O=C(NC[C@H](NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)C1CC1)[C@H]1C[NH+]2CCN1CCC2 ZINC000536537822 1071206970 /nfs/dbraw/zinc/20/69/70/1071206970.db2.gz MLPFHDFOYNKFDU-OTWHNJEPSA-N 2 0 404.559 -1.223 20 0 HAADRP C[C@H]1CN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)CCN1C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000536544273 1071207282 /nfs/dbraw/zinc/20/72/82/1071207282.db2.gz NKOFFNGLHCMZKI-FHWLQOOXSA-N 2 0 404.559 -1.175 20 0 HAADRP C[C@H]1CN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)CCN1C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000536544274 1071207092 /nfs/dbraw/zinc/20/70/92/1071207092.db2.gz NKOFFNGLHCMZKI-GBESFXJTSA-N 2 0 404.559 -1.175 20 0 HAADRP C[C@H]1CN(C(=O)[C@H]2C[NH+]3CCN2CCC3)CCN1C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000536544275 1071207435 /nfs/dbraw/zinc/20/74/35/1071207435.db2.gz NKOFFNGLHCMZKI-IPMKNSEASA-N 2 0 404.559 -1.175 20 0 HAADRP C[C@H]1CN(C(=O)[C@H]2C[NH+]3CCN2CCC3)CCN1C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000536544276 1071207237 /nfs/dbraw/zinc/20/72/37/1071207237.db2.gz NKOFFNGLHCMZKI-OTWHNJEPSA-N 2 0 404.559 -1.175 20 0 HAADRP C[C@@H](CNC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)S(N)(=O)=O ZINC000541030298 1071450701 /nfs/dbraw/zinc/45/07/01/1071450701.db2.gz NTENBOSUQZKZIN-AWEZNQCLSA-N 2 0 412.516 -1.497 20 0 HAADRP C[C@H](CNC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)S(N)(=O)=O ZINC000541030299 1071450725 /nfs/dbraw/zinc/45/07/25/1071450725.db2.gz NTENBOSUQZKZIN-CQSZACIVSA-N 2 0 412.516 -1.497 20 0 HAADRP CCO[C@H](CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)CNC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000541162367 1071452034 /nfs/dbraw/zinc/45/20/34/1071452034.db2.gz RIBNFRWTXXVGHY-LDLYASANSA-N 2 0 422.574 -1.596 20 0 HAADRP CCOC(CNC(=O)[C@@H]1C[NH+]2CCN1CCC2)CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000541162368 1071452096 /nfs/dbraw/zinc/45/20/96/1071452096.db2.gz RIBNFRWTXXVGHY-OALUTQOASA-N 2 0 422.574 -1.596 20 0 HAADRP CCOC(CNC(=O)[C@H]1C[NH+]2CCN1CCC2)CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000541162369 1071451956 /nfs/dbraw/zinc/45/19/56/1071451956.db2.gz RIBNFRWTXXVGHY-RTBURBONSA-N 2 0 422.574 -1.596 20 0 HAADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000550945993 1071241770 /nfs/dbraw/zinc/24/17/70/1071241770.db2.gz BHPBKWCJZPBFBL-UHFFFAOYSA-N 2 0 422.574 -1.105 20 0 HAADRP C[C@H](CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C[NH+]1CCN(C)CC1 ZINC000551125812 1071245612 /nfs/dbraw/zinc/24/56/12/1071245612.db2.gz OTBAUMCIODMWSW-GOSISDBHSA-N 2 0 422.574 -1.247 20 0 HAADRP C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C[NH+]1CCN(C)CC1 ZINC000551125813 1071245704 /nfs/dbraw/zinc/24/57/04/1071245704.db2.gz OTBAUMCIODMWSW-SFHVURJKSA-N 2 0 422.574 -1.247 20 0 HAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000551126130 1071245581 /nfs/dbraw/zinc/24/55/81/1071245581.db2.gz RONYKPCOGTUXFW-GOSISDBHSA-N 2 0 424.590 -1.001 20 0 HAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000551126131 1071245541 /nfs/dbraw/zinc/24/55/41/1071245541.db2.gz RONYKPCOGTUXFW-SFHVURJKSA-N 2 0 424.590 -1.001 20 0 HAADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000551164815 1071247265 /nfs/dbraw/zinc/24/72/65/1071247265.db2.gz OURUEQASDJZZDM-UHFFFAOYSA-N 2 0 409.531 -1.018 20 0 HAADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000551165333 1071247133 /nfs/dbraw/zinc/24/71/33/1071247133.db2.gz RFIAFOXTTYDRHI-KRWDZBQOSA-N 2 0 409.531 -1.020 20 0 HAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000551165335 1071247329 /nfs/dbraw/zinc/24/73/29/1071247329.db2.gz RFIAFOXTTYDRHI-QGZVFWFLSA-N 2 0 409.531 -1.020 20 0 HAADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000553276576 1071292770 /nfs/dbraw/zinc/29/27/70/1071292770.db2.gz HQLOOUNBWLGJNT-KRWDZBQOSA-N 2 0 409.531 -1.020 20 0 HAADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000553276577 1071292809 /nfs/dbraw/zinc/29/28/09/1071292809.db2.gz HQLOOUNBWLGJNT-QGZVFWFLSA-N 2 0 409.531 -1.020 20 0 HAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000553404639 1071297320 /nfs/dbraw/zinc/29/73/20/1071297320.db2.gz JAMBKXGKCBQWHF-UHFFFAOYSA-N 2 0 423.605 -1.567 20 0 HAADRP Cn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn1 ZINC000554905132 1071315417 /nfs/dbraw/zinc/31/54/17/1071315417.db2.gz FDPAOFAAXKCCHZ-WBVHZDCISA-N 2 0 407.519 -1.192 20 0 HAADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000555993973 1071328752 /nfs/dbraw/zinc/32/87/52/1071328752.db2.gz LNBVYCNNVJPQFD-GOSISDBHSA-N 2 0 422.574 -1.106 20 0 HAADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000555993974 1071328668 /nfs/dbraw/zinc/32/86/68/1071328668.db2.gz LNBVYCNNVJPQFD-SFHVURJKSA-N 2 0 422.574 -1.106 20 0 HAADRP C[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)C[NH+]1CCN(C)CC1 ZINC000556354751 1071515457 /nfs/dbraw/zinc/51/54/57/1071515457.db2.gz HYYDOYWXOQIHQQ-MSOLQXFVSA-N 2 0 422.574 -1.249 20 0 HAADRP C[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)C[NH+]1CCN(C)CC1 ZINC000556354753 1071515552 /nfs/dbraw/zinc/51/55/52/1071515552.db2.gz HYYDOYWXOQIHQQ-QZTJIDSGSA-N 2 0 422.574 -1.249 20 0 HAADRP C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)C[NH+]1CCN(C)CC1 ZINC000556354755 1071515769 /nfs/dbraw/zinc/51/57/69/1071515769.db2.gz HYYDOYWXOQIHQQ-ROUUACIJSA-N 2 0 422.574 -1.249 20 0 HAADRP C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)C[NH+]1CCN(C)CC1 ZINC000556354757 1071515596 /nfs/dbraw/zinc/51/55/96/1071515596.db2.gz HYYDOYWXOQIHQQ-ZWKOTPCHSA-N 2 0 422.574 -1.249 20 0 HAADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000557255636 1071951340 /nfs/dbraw/zinc/95/13/40/1071951340.db2.gz PTYLWWPUELRLMK-INIZCTEOSA-N 2 0 411.547 -1.005 20 0 HAADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000557255641 1071951446 /nfs/dbraw/zinc/95/14/46/1071951446.db2.gz PTYLWWPUELRLMK-MRXNPFEDSA-N 2 0 411.547 -1.005 20 0 HAADRP C[N@@H+]1CCN(CCNC(=O)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC1(C)C ZINC000557255671 1071952250 /nfs/dbraw/zinc/95/22/50/1071952250.db2.gz QKMATBYSQXJQIB-INIZCTEOSA-N 2 0 410.563 -1.168 20 0 HAADRP C[N@@H+]1CCN(CCNC(=O)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CC1(C)C ZINC000557255679 1071952043 /nfs/dbraw/zinc/95/20/43/1071952043.db2.gz QKMATBYSQXJQIB-MRXNPFEDSA-N 2 0 410.563 -1.168 20 0 HAADRP CCN(C(=O)[C@@H]1C[NH+]2CCN1CCC2)C1CN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000558716165 1071963657 /nfs/dbraw/zinc/96/36/57/1071963657.db2.gz HUJJAPJIZTVEAI-MOPGFXCFSA-N 2 0 404.559 -1.175 20 0 HAADRP CCN(C(=O)[C@@H]1C[NH+]2CCN1CCC2)C1CN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000558716166 1071963466 /nfs/dbraw/zinc/96/34/66/1071963466.db2.gz HUJJAPJIZTVEAI-OALUTQOASA-N 2 0 404.559 -1.175 20 0 HAADRP CCN(C(=O)[C@H]1C[NH+]2CCN1CCC2)C1CN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000558716167 1071963616 /nfs/dbraw/zinc/96/36/16/1071963616.db2.gz HUJJAPJIZTVEAI-RBUKOAKNSA-N 2 0 404.559 -1.175 20 0 HAADRP CCN(C(=O)[C@H]1C[NH+]2CCN1CCC2)C1CN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000558716168 1071963693 /nfs/dbraw/zinc/96/36/93/1071963693.db2.gz HUJJAPJIZTVEAI-RTBURBONSA-N 2 0 404.559 -1.175 20 0 HAADRP CN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000559836164 1071972056 /nfs/dbraw/zinc/97/20/56/1071972056.db2.gz LUDVEPMXYSINAT-GOSISDBHSA-N 2 0 422.574 -1.105 20 0 HAADRP CN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000559836165 1071972006 /nfs/dbraw/zinc/97/20/06/1071972006.db2.gz LUDVEPMXYSINAT-SFHVURJKSA-N 2 0 422.574 -1.105 20 0 HAADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCC(=O)NCC[NH+]2CCCCCC2)n1 ZINC000560253305 1071975980 /nfs/dbraw/zinc/97/59/80/1071975980.db2.gz OHVOUGYECIDLHG-UHFFFAOYSA-N 2 0 407.519 -0.508 20 0 HAADRP NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000560908944 1071980050 /nfs/dbraw/zinc/98/00/50/1071980050.db2.gz CICIDTQOLWIWJG-INIZCTEOSA-N 2 0 424.527 -1.401 20 0 HAADRP NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000560908950 1071980011 /nfs/dbraw/zinc/98/00/11/1071980011.db2.gz CICIDTQOLWIWJG-MRXNPFEDSA-N 2 0 424.527 -1.401 20 0 HAADRP CNC(=O)[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000560917021 1071980692 /nfs/dbraw/zinc/98/06/92/1071980692.db2.gz RHFAZLUUZXJCIE-KRWDZBQOSA-N 2 0 418.498 -1.317 20 0 HAADRP CNC(=O)[C@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000560917022 1071980619 /nfs/dbraw/zinc/98/06/19/1071980619.db2.gz RHFAZLUUZXJCIE-QGZVFWFLSA-N 2 0 418.498 -1.317 20 0 HAADRP NC(=O)[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000560919611 1070862414 /nfs/dbraw/zinc/86/24/14/1070862414.db2.gz YTIQHLCVQVGOPD-INIZCTEOSA-N 2 0 404.471 -1.577 20 0 HAADRP NC(=O)[C@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000560919615 1071980607 /nfs/dbraw/zinc/98/06/07/1071980607.db2.gz YTIQHLCVQVGOPD-MRXNPFEDSA-N 2 0 404.471 -1.577 20 0 HAADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000561122675 1071982069 /nfs/dbraw/zinc/98/20/69/1071982069.db2.gz UUGNCLUQWIXWPV-DLBZAZTESA-N 2 0 409.531 -1.022 20 0 HAADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000561122676 1071982004 /nfs/dbraw/zinc/98/20/04/1071982004.db2.gz UUGNCLUQWIXWPV-IAGOWNOFSA-N 2 0 409.531 -1.022 20 0 HAADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000561122677 1071982247 /nfs/dbraw/zinc/98/22/47/1071982247.db2.gz UUGNCLUQWIXWPV-IRXDYDNUSA-N 2 0 409.531 -1.022 20 0 HAADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000561122678 1071982139 /nfs/dbraw/zinc/98/21/39/1071982139.db2.gz UUGNCLUQWIXWPV-SJORKVTESA-N 2 0 409.531 -1.022 20 0 HAADRP C[NH+](C)CC(=O)N1CCN(c2cncc(N3CCN(C(=O)C[NH+](C)C)CC3)n2)CC1 ZINC000561141184 1071982045 /nfs/dbraw/zinc/98/20/45/1071982045.db2.gz FEVTZLRQJKMUJH-UHFFFAOYSA-N 2 0 418.546 -1.103 20 0 HAADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)C2)CC1 ZINC000563703929 1071995473 /nfs/dbraw/zinc/99/54/73/1071995473.db2.gz VMRBLKGYZLNOJM-MSOLQXFVSA-N 2 0 422.574 -1.072 20 0 HAADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)C2)CC1 ZINC000563703930 1071995204 /nfs/dbraw/zinc/99/52/04/1071995204.db2.gz VMRBLKGYZLNOJM-QZTJIDSGSA-N 2 0 422.574 -1.072 20 0 HAADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)C2)CC1 ZINC000563703931 1071995294 /nfs/dbraw/zinc/99/52/94/1071995294.db2.gz VMRBLKGYZLNOJM-ROUUACIJSA-N 2 0 422.574 -1.072 20 0 HAADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)C2)CC1 ZINC000563703932 1071995556 /nfs/dbraw/zinc/99/55/56/1071995556.db2.gz VMRBLKGYZLNOJM-ZWKOTPCHSA-N 2 0 422.574 -1.072 20 0 HAADRP Cc1cc(N2CC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C2=O)n(C)n1 ZINC000563764114 1071995574 /nfs/dbraw/zinc/99/55/74/1071995574.db2.gz ZPAJWXBNFPIXLB-HNNXBMFYSA-N 2 0 407.519 -1.098 20 0 HAADRP Cc1cc(N2CC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C2=O)n(C)n1 ZINC000563764115 1071995524 /nfs/dbraw/zinc/99/55/24/1071995524.db2.gz ZPAJWXBNFPIXLB-OAHLLOKOSA-N 2 0 407.519 -1.098 20 0 HAADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000571547329 1072018350 /nfs/dbraw/zinc/01/83/50/1072018350.db2.gz GOOJPPJINGSCTQ-UHFFFAOYSA-N 2 0 404.475 -1.294 20 0 HAADRP Cn1ccc(N2CCC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C2=O)n1 ZINC000574357088 1072023965 /nfs/dbraw/zinc/02/39/65/1072023965.db2.gz GLSSCQCFVJONFK-HNNXBMFYSA-N 2 0 407.519 -1.017 20 0 HAADRP Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C2=O)n1 ZINC000574357089 1072023906 /nfs/dbraw/zinc/02/39/06/1072023906.db2.gz GLSSCQCFVJONFK-OAHLLOKOSA-N 2 0 407.519 -1.017 20 0 HAADRP O=C(CSCC(=O)NC[C@H]1C[NH+]2CCN1CCC2)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000590541603 1071385225 /nfs/dbraw/zinc/38/52/25/1071385225.db2.gz DAVXOWYNZLQVED-HDICACEKSA-N 2 0 424.615 -1.268 20 0 HAADRP O=C(CSCC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2)NC[C@@H]1C[NH+]2CCN1CCC2 ZINC000590541604 1071384365 /nfs/dbraw/zinc/38/43/65/1071384365.db2.gz DAVXOWYNZLQVED-QZTJIDSGSA-N 2 0 424.615 -1.268 20 0 HAADRP O=C(CSCC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2)NC[C@H]1C[NH+]2CCN1CCC2 ZINC000590541605 1071384592 /nfs/dbraw/zinc/38/45/92/1071384592.db2.gz DAVXOWYNZLQVED-ROUUACIJSA-N 2 0 424.615 -1.268 20 0 HAADRP C[NH+]1C[C@H]2CCN(CC(=O)N3CCN(C(=O)CN4CC[C@H]5C[N@@H+](C)C[C@@H]54)CC3)[C@@H]2C1 ZINC000644733939 1072046443 /nfs/dbraw/zinc/04/64/43/1072046443.db2.gz VYBKJLYDEIUKQY-FGYAAKKASA-N 2 0 418.586 -1.071 20 0 HAADRP C[NH+]1C[C@H]2CCN(CC(=O)N3CCN(C(=O)CN4CC[C@H]5C[N@@H+](C)C[C@H]54)CC3)[C@@H]2C1 ZINC000644733940 1072046408 /nfs/dbraw/zinc/04/64/08/1072046408.db2.gz VYBKJLYDEIUKQY-IYWMVGAKSA-N 2 0 418.586 -1.071 20 0 HAADRP C[NH+]1C[C@@H]2CCN(CC(=O)N3CCN(C(=O)CN4CC[C@@H]5C[N@@H+](C)C[C@@H]54)CC3)[C@@H]2C1 ZINC000644733941 1072046497 /nfs/dbraw/zinc/04/64/97/1072046497.db2.gz VYBKJLYDEIUKQY-JVSBHGNQSA-N 2 0 418.586 -1.071 20 0 HAADRP C[NH+]1C[C@H]2CCN(CC(=O)N3CCN(C(=O)CN4CC[C@H]5C[N@@H+](C)C[C@@H]54)CC3)[C@H]2C1 ZINC000644733942 1072046535 /nfs/dbraw/zinc/04/65/35/1072046535.db2.gz VYBKJLYDEIUKQY-YRPNKDGESA-N 2 0 418.586 -1.071 20 0 HAADRP CN1CCN(CC(=O)NC[C@H]2CSCCN2C(=O)CN2CCN(C)CC2)CC1 ZINC000645956197 1072047283 /nfs/dbraw/zinc/04/72/83/1072047283.db2.gz VPRNLRVIOOHGBX-KRWDZBQOSA-N 2 0 412.604 -1.459 20 0 HAADRP CN1CCN(CC(=O)NC[C@@H]2CSCCN2C(=O)CN2CCN(C)CC2)CC1 ZINC000645956199 1072047147 /nfs/dbraw/zinc/04/71/47/1072047147.db2.gz VPRNLRVIOOHGBX-QGZVFWFLSA-N 2 0 412.604 -1.459 20 0 HAADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](O)CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000647810199 1072049900 /nfs/dbraw/zinc/04/99/00/1072049900.db2.gz JWWBHSQHPJDUED-FGTMMUONSA-N 2 0 414.547 -1.142 20 0 HAADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H](O)CN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000647810200 1072049815 /nfs/dbraw/zinc/04/98/15/1072049815.db2.gz JWWBHSQHPJDUED-KURKYZTESA-N 2 0 414.547 -1.142 20 0 HAADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](O)CN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000647810201 1072050569 /nfs/dbraw/zinc/05/05/69/1072050569.db2.gz JWWBHSQHPJDUED-KZNAEPCWSA-N 2 0 414.547 -1.142 20 0 HAADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H](O)CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000647810202 1072050500 /nfs/dbraw/zinc/05/05/00/1072050500.db2.gz JWWBHSQHPJDUED-SQNIBIBYSA-N 2 0 414.547 -1.142 20 0 HAADRP O=C(COCC(=O)NC[C@H]1C[NH+]2CCN1CCC2)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000670407897 1071504882 /nfs/dbraw/zinc/50/48/82/1071504882.db2.gz CCLVUVJESNCOAM-HDICACEKSA-N 2 0 408.547 -1.985 20 0 HAADRP O=C(COCC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2)NC[C@@H]1C[NH+]2CCN1CCC2 ZINC000670407898 1071505032 /nfs/dbraw/zinc/50/50/32/1071505032.db2.gz CCLVUVJESNCOAM-QZTJIDSGSA-N 2 0 408.547 -1.985 20 0 HAADRP O=C(COCC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2)NC[C@H]1C[NH+]2CCN1CCC2 ZINC000670407899 1071505093 /nfs/dbraw/zinc/50/50/93/1071505093.db2.gz CCLVUVJESNCOAM-ROUUACIJSA-N 2 0 408.547 -1.985 20 0 HAADRP CN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000671033743 1071549395 /nfs/dbraw/zinc/54/93/95/1071549395.db2.gz PPIUOYOOFOJHDK-UHFFFAOYSA-N 2 0 422.574 -1.103 20 0 HAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000671357337 1071563908 /nfs/dbraw/zinc/56/39/08/1071563908.db2.gz YHNXFFDSNCKHIS-UHFFFAOYSA-N 2 0 420.580 -2.368 20 0 HAADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCCC[NH+]3CCC[C@@H](C(N)=O)C3)CC2)C1 ZINC000671981426 1071584224 /nfs/dbraw/zinc/58/42/24/1071584224.db2.gz CHACTOPKXMNYCQ-MSOLQXFVSA-N 2 0 422.574 -1.072 20 0 HAADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCCC[NH+]3CCC[C@@H](C(N)=O)C3)CC2)C1 ZINC000671981427 1071583924 /nfs/dbraw/zinc/58/39/24/1071583924.db2.gz CHACTOPKXMNYCQ-QZTJIDSGSA-N 2 0 422.574 -1.072 20 0 HAADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCCC[NH+]3CCC[C@H](C(N)=O)C3)CC2)C1 ZINC000671981428 1071584245 /nfs/dbraw/zinc/58/42/45/1071584245.db2.gz CHACTOPKXMNYCQ-ROUUACIJSA-N 2 0 422.574 -1.072 20 0 HAADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCCC[NH+]3CCC[C@H](C(N)=O)C3)CC2)C1 ZINC000671981429 1071584267 /nfs/dbraw/zinc/58/42/67/1071584267.db2.gz CHACTOPKXMNYCQ-ZWKOTPCHSA-N 2 0 422.574 -1.072 20 0 HAADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)C2)CC1 ZINC000671981540 1071584099 /nfs/dbraw/zinc/58/40/99/1071584099.db2.gz QPJDSEVATVTIGX-DLBZAZTESA-N 2 0 422.574 -1.025 20 0 HAADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)C2)CC1 ZINC000671981541 1071584008 /nfs/dbraw/zinc/58/40/08/1071584008.db2.gz QPJDSEVATVTIGX-IAGOWNOFSA-N 2 0 422.574 -1.025 20 0 HAADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)C2)CC1 ZINC000671981542 1071583835 /nfs/dbraw/zinc/58/38/35/1071583835.db2.gz QPJDSEVATVTIGX-IRXDYDNUSA-N 2 0 422.574 -1.025 20 0 HAADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)C2)CC1 ZINC000671981543 1071584152 /nfs/dbraw/zinc/58/41/52/1071584152.db2.gz QPJDSEVATVTIGX-SJORKVTESA-N 2 0 422.574 -1.025 20 0 HAADRP Cn1ccnc1CN1CCC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1=O ZINC000673501591 1071603059 /nfs/dbraw/zinc/60/30/59/1071603059.db2.gz WNNVNPATTYKJQD-INIZCTEOSA-N 2 0 421.546 -1.021 20 0 HAADRP Cn1ccnc1CN1CCC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1=O ZINC000673501592 1071603090 /nfs/dbraw/zinc/60/30/90/1071603090.db2.gz WNNVNPATTYKJQD-MRXNPFEDSA-N 2 0 421.546 -1.021 20 0 HAADRP C[NH+](C)C[C@@](C)(O)CNC(=O)c1cc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)c[nH]1 ZINC000676898886 1072068766 /nfs/dbraw/zinc/06/87/66/1072068766.db2.gz DTUMXAXEAQSNAU-DLBZAZTESA-N 2 0 419.548 -1.352 20 0 HAADRP C[NH+](C)C[C@](C)(O)CNC(=O)c1cc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)c[nH]1 ZINC000676898887 1072068891 /nfs/dbraw/zinc/06/88/91/1072068891.db2.gz DTUMXAXEAQSNAU-IAGOWNOFSA-N 2 0 419.548 -1.352 20 0 HAADRP C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1c[nH]c(C(=O)NC[C@](C)(O)C[NH+](C)C)c1 ZINC000676898888 1072068825 /nfs/dbraw/zinc/06/88/25/1072068825.db2.gz DTUMXAXEAQSNAU-IRXDYDNUSA-N 2 0 419.548 -1.352 20 0 HAADRP C[NH+](C)C[C@](C)(O)CNC(=O)c1cc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)c[nH]1 ZINC000676898889 1072068833 /nfs/dbraw/zinc/06/88/33/1072068833.db2.gz DTUMXAXEAQSNAU-SJORKVTESA-N 2 0 419.548 -1.352 20 0 HAADRP C[NH+](C)CC(=O)N1CCN(c2nccnc2N2CCN(C(=O)C[NH+](C)C)CC2)CC1 ZINC000680952703 1072077458 /nfs/dbraw/zinc/07/74/58/1072077458.db2.gz GSTJWTZPNPSHOP-UHFFFAOYSA-N 2 0 418.546 -1.103 20 0 HAADRP C[NH+](C)C[C@@]1(O)CCCN(C(=O)COCC(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)C1 ZINC000684176286 1070829941 /nfs/dbraw/zinc/82/99/41/1070829941.db2.gz UANNCEIGCNRTEZ-BGYRXZFFSA-N 2 0 414.547 -1.167 20 0 HAADRP C[NH+](C)C[C@@]1(O)CCCN(C(=O)COCC(=O)N2CCC[C@](O)(C[NH+](C)C)C2)C1 ZINC000684176287 1070829657 /nfs/dbraw/zinc/82/96/57/1070829657.db2.gz UANNCEIGCNRTEZ-PMACEKPBSA-N 2 0 414.547 -1.167 20 0 HAADRP C[NH+](C)C[C@]1(O)CCCN(C(=O)COCC(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)C1 ZINC000684176288 1070829911 /nfs/dbraw/zinc/82/99/11/1070829911.db2.gz UANNCEIGCNRTEZ-WOJBJXKFSA-N 2 0 414.547 -1.167 20 0 HAADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C(=O)N1c1cnn(C)c1 ZINC000685175570 1070870513 /nfs/dbraw/zinc/87/05/13/1070870513.db2.gz MXFNWLPGSZLOPK-GDBMZVCRSA-N 2 0 407.519 -1.018 20 0 HAADRP C[C@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C(=O)N1c1cnn(C)c1 ZINC000685175571 1070870806 /nfs/dbraw/zinc/87/08/06/1070870806.db2.gz MXFNWLPGSZLOPK-GOEBONIOSA-N 2 0 407.519 -1.018 20 0 HAADRP C[C@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C(=O)N1c1cnn(C)c1 ZINC000685175572 1070870645 /nfs/dbraw/zinc/87/06/45/1070870645.db2.gz MXFNWLPGSZLOPK-HOCLYGCPSA-N 2 0 407.519 -1.018 20 0 HAADRP C[C@@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C(=O)N1c1cnn(C)c1 ZINC000685175573 1070871007 /nfs/dbraw/zinc/87/10/07/1070871007.db2.gz MXFNWLPGSZLOPK-ZBFHGGJFSA-N 2 0 407.519 -1.018 20 0 HAADRP O=C(COCC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000729843133 1071233906 /nfs/dbraw/zinc/23/39/06/1071233906.db2.gz YDRWVQWRYBCMFZ-BRSBDYLESA-N 2 0 410.515 -1.038 20 0 HAADRP O=C(COCC(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000729843134 1071233990 /nfs/dbraw/zinc/23/39/90/1071233990.db2.gz YDRWVQWRYBCMFZ-TVFCKZIOSA-N 2 0 410.515 -1.038 20 0 HAADRP O=C(COCC(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000729843135 1071233932 /nfs/dbraw/zinc/23/39/32/1071233932.db2.gz YDRWVQWRYBCMFZ-USTZCAOPSA-N 2 0 410.515 -1.038 20 0 HAADRP O=C(COCC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000729843136 1071233653 /nfs/dbraw/zinc/23/36/53/1071233653.db2.gz YDRWVQWRYBCMFZ-XMTFNYHQSA-N 2 0 410.515 -1.038 20 0 HAADRP NC(=O)C1([NH2+]CC(=O)N2CCN(C(=O)C[NH2+]C3(C(N)=O)CCCC3)CC2)CCCC1 ZINC000749352025 1072088761 /nfs/dbraw/zinc/08/87/61/1072088761.db2.gz KZJUVJDHKHTDFN-UHFFFAOYSA-N 2 0 422.530 -1.567 20 0 HAADRP CN(C)C(=O)[C@@H]1CN(C[C@H](O)C[NH+]2CCCC2)CCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000749431675 1072089228 /nfs/dbraw/zinc/08/92/28/1072089228.db2.gz VKMLCZXEZYVHLB-AABGKKOBSA-N 2 0 411.591 -1.026 20 0 HAADRP CN(C)C(=O)[C@@H]1CN(C[C@H](O)C[NH+]2CCCC2)CCN1C[C@H](O)C[NH+]1CCCC1 ZINC000749431676 1072089178 /nfs/dbraw/zinc/08/91/78/1072089178.db2.gz VKMLCZXEZYVHLB-AQNXPRMDSA-N 2 0 411.591 -1.026 20 0 HAADRP CN(C)C(=O)[C@@H]1CN(C[C@@H](O)C[NH+]2CCCC2)CCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000749431677 1072089274 /nfs/dbraw/zinc/08/92/74/1072089274.db2.gz VKMLCZXEZYVHLB-UFYCRDLUSA-N 2 0 411.591 -1.026 20 0 HAADRP CN(C)C(=O)[C@@H]1CN(C[C@@H](O)C[NH+]2CCCC2)CCN1C[C@H](O)C[NH+]1CCCC1 ZINC000749431678 1072089246 /nfs/dbraw/zinc/08/92/46/1072089246.db2.gz VKMLCZXEZYVHLB-ZCNNSNEGSA-N 2 0 411.591 -1.026 20 0 HAADRP O=C1NC[C@H]2C[NH+](CCCCCC[N@@H+]3CCN4C(=O)C(=O)NC[C@H]4C3)CCN2C1=O ZINC000766912524 1071680840 /nfs/dbraw/zinc/68/08/40/1071680840.db2.gz RTDRPNLTPGVORP-HOTGVXAUSA-N 2 0 420.514 -2.168 20 0 HAADRP O=C1NC[C@@H]2C[NH+](CCCCCC[N@@H+]3CCN4C(=O)C(=O)NC[C@@H]4C3)CCN2C1=O ZINC000766912525 1071681079 /nfs/dbraw/zinc/68/10/79/1071681079.db2.gz RTDRPNLTPGVORP-HZPDHXFCSA-N 2 0 420.514 -2.168 20 0 HAADRP O=C1NC[C@@H]2C[NH+](CCCCCC[N@@H+]3CCN4C(=O)C(=O)NC[C@H]4C3)CCN2C1=O ZINC000766912526 1071680972 /nfs/dbraw/zinc/68/09/72/1071680972.db2.gz RTDRPNLTPGVORP-IYBDPMFKSA-N 2 0 420.514 -2.168 20 0 HAADRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000780849840 1070828153 /nfs/dbraw/zinc/82/81/53/1070828153.db2.gz SIGCBUNWJQGGGP-UHFFFAOYSA-N 2 0 411.594 -1.234 20 0 HAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC000804051202 1072082253 /nfs/dbraw/zinc/08/22/53/1072082253.db2.gz OATHJNHGRSQNNF-BRWVUGGUSA-N 2 0 407.515 -1.269 20 0 HAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC000804051203 1072082375 /nfs/dbraw/zinc/08/23/75/1072082375.db2.gz OATHJNHGRSQNNF-GVDBMIGSSA-N 2 0 407.515 -1.269 20 0 HAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC000804051204 1072082417 /nfs/dbraw/zinc/08/24/17/1072082417.db2.gz OATHJNHGRSQNNF-IXDOHACOSA-N 2 0 407.515 -1.269 20 0 HAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC000804051205 1072083019 /nfs/dbraw/zinc/08/30/19/1072083019.db2.gz OATHJNHGRSQNNF-YESZJQIVSA-N 2 0 407.515 -1.269 20 0 HAADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000804059695 1072084228 /nfs/dbraw/zinc/08/42/28/1072084228.db2.gz JTOCIAHVYYSRAH-DLBZAZTESA-N 2 0 407.515 -1.268 20 0 HAADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000804059696 1072084552 /nfs/dbraw/zinc/08/45/52/1072084552.db2.gz JTOCIAHVYYSRAH-IAGOWNOFSA-N 2 0 407.515 -1.268 20 0 HAADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000804059697 1072083985 /nfs/dbraw/zinc/08/39/85/1072083985.db2.gz JTOCIAHVYYSRAH-IRXDYDNUSA-N 2 0 407.515 -1.268 20 0 HAADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000804059698 1072084184 /nfs/dbraw/zinc/08/41/84/1072084184.db2.gz JTOCIAHVYYSRAH-SJORKVTESA-N 2 0 407.515 -1.268 20 0 HAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000804060720 1072084493 /nfs/dbraw/zinc/08/44/93/1072084493.db2.gz UKPNKAZIUANGSS-DLBZAZTESA-N 2 0 409.531 -1.022 20 0 HAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000804060722 1072084124 /nfs/dbraw/zinc/08/41/24/1072084124.db2.gz UKPNKAZIUANGSS-IAGOWNOFSA-N 2 0 409.531 -1.022 20 0 HAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000804060724 1072084155 /nfs/dbraw/zinc/08/41/55/1072084155.db2.gz UKPNKAZIUANGSS-IRXDYDNUSA-N 2 0 409.531 -1.022 20 0 HAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000804060726 1072084410 /nfs/dbraw/zinc/08/44/10/1072084410.db2.gz UKPNKAZIUANGSS-SJORKVTESA-N 2 0 409.531 -1.022 20 0 HAADRP Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)CC[NH+]1CCCCC1 ZINC001142923114 1071573955 /nfs/dbraw/zinc/57/39/55/1071573955.db2.gz KVODZORACLJNSF-PCYKNENESA-N 2 0 421.458 -1.731 20 0 HAADRP C[NH+]1CCC(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)CC1 ZINC001143316244 1072135997 /nfs/dbraw/zinc/13/59/97/1072135997.db2.gz BBFPZUYUCBZTIF-NKTGWMFESA-N 2 0 407.431 -2.265 20 0 HAADRP C[NH+]1CCC(CC(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)CC1 ZINC001143359703 1071737958 /nfs/dbraw/zinc/73/79/58/1071737958.db2.gz CRWPHGBKLRAOKE-PCYKNENESA-N 2 0 421.458 -1.875 20 0 HAADRP CN(CC(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2)C(N)=[NH2+] ZINC001144129817 1071738874 /nfs/dbraw/zinc/73/88/74/1071738874.db2.gz FHIAZXIGPSQMKA-QWHCGFSZSA-N 2 0 407.500 -1.357 20 0 HAADRP CC[NH+]1CCC(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)CC1 ZINC001146786724 1071772190 /nfs/dbraw/zinc/77/21/90/1071772190.db2.gz FVSWOCPEEUZEQD-YAMOITTJSA-N 2 0 421.458 -1.875 20 0 HAADRP C[N@@H+]1C[C@H](C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(N)=O)OC2(CC[NH2+]CC2)C1 ZINC001157303370 1072154471 /nfs/dbraw/zinc/15/44/71/1072154471.db2.gz GRRRGNKWTVKRRE-DLBZAZTESA-N 2 0 417.510 -1.232 20 0 HAADRP C[N@@H+]1C[C@@H](C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(N)=O)OC2(CC[NH2+]CC2)C1 ZINC001157303374 1072154568 /nfs/dbraw/zinc/15/45/68/1072154568.db2.gz GRRRGNKWTVKRRE-IRXDYDNUSA-N 2 0 417.510 -1.232 20 0 HAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001157378511 1072155699 /nfs/dbraw/zinc/15/56/99/1072155699.db2.gz BURPYGJUPDMQGQ-JYJNAYRXSA-N 2 0 424.546 -1.323 20 0 HAADRP C[C@@H]1O[C@@H](OCCNC(=O)[C@@H]2C[N@H+](C)CC3(CC[NH2+]CC3)O2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157421605 1072155685 /nfs/dbraw/zinc/15/56/85/1072155685.db2.gz ABWZGFNRJQXNKR-PYCOOKQFSA-N 2 0 403.476 -2.601 20 0 HAADRP C[C@@H]1O[C@@H](OCCNC(=O)[C@H]2C[N@H+](C)CC3(CC[NH2+]CC3)O2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157421630 1072155658 /nfs/dbraw/zinc/15/56/58/1072155658.db2.gz ABWZGFNRJQXNKR-SJVDBBHQSA-N 2 0 403.476 -2.601 20 0 HAADRP C[C@@H]1O[C@@H](OCCNC(=O)[C@H]2CCC[N@@H+](C3CC[NH2+]CC3)C2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157421843 1072155800 /nfs/dbraw/zinc/15/58/00/1072155800.db2.gz BJCPHTLLHUFWDN-KAZSKIEPSA-N 2 0 401.504 -1.589 20 0 HAADRP C[C@@H]1O[C@@H](OCCNC(=O)[C@@H]2CCC[N@@H+](C3CC[NH2+]CC3)C2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157421851 1072155818 /nfs/dbraw/zinc/15/58/18/1072155818.db2.gz BJCPHTLLHUFWDN-SPTQXUEESA-N 2 0 401.504 -1.589 20 0 HAADRP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])CC1 ZINC001157448573 1072156998 /nfs/dbraw/zinc/15/69/98/1072156998.db2.gz AJSZCKXLORQQFS-KBPBESRZSA-N 2 0 411.503 -1.286 20 0 HAADRP CCOC(=O)CC1([NH3+])CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC1 ZINC001157448953 1072156961 /nfs/dbraw/zinc/15/69/61/1072156961.db2.gz QIRJFRNLCMEOCA-UHFFFAOYSA-N 2 0 414.463 -3.433 20 0 HAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1C[C@@H](F)[C@@H]([NH3+])C1)C(=O)CF ZINC001157539072 1072157448 /nfs/dbraw/zinc/15/74/48/1072157448.db2.gz YSLMSEASWZYYPB-ONQKKCPMSA-N 2 0 405.446 -1.605 20 0 HAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC001157578874 1072157469 /nfs/dbraw/zinc/15/74/69/1072157469.db2.gz FFQJYRIXVOLFBH-UHFFFAOYSA-N 2 0 410.519 -1.982 20 0 HAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001158031581 1072159814 /nfs/dbraw/zinc/15/98/14/1072159814.db2.gz MUVOWBJULVTRJH-IBGZPJMESA-N 2 0 410.519 -1.934 20 0 HAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001158031582 1072159863 /nfs/dbraw/zinc/15/98/63/1072159863.db2.gz MUVOWBJULVTRJH-LJQANCHMSA-N 2 0 410.519 -1.934 20 0 HAADRP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158076548 1072159827 /nfs/dbraw/zinc/15/98/27/1072159827.db2.gz IXAXIFHYOGBJQC-IRXDYDNUSA-N 2 0 406.483 -1.280 20 0 HAADRP CSCC[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158100900 1072159850 /nfs/dbraw/zinc/15/98/50/1072159850.db2.gz CHDCWAKHVNWRMH-DCGLDWPTSA-N 2 0 417.601 -1.005 20 0 HAADRP CSCC[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158100901 1072159788 /nfs/dbraw/zinc/15/97/88/1072159788.db2.gz CHDCWAKHVNWRMH-GDZNZVCISA-N 2 0 417.601 -1.005 20 0 HAADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158101284 1072159731 /nfs/dbraw/zinc/15/97/31/1072159731.db2.gz JHQPRBHDQKMAMV-AUSJPIAWSA-N 2 0 422.530 -1.924 20 0 HAADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158101285 1072159719 /nfs/dbraw/zinc/15/97/19/1072159719.db2.gz JHQPRBHDQKMAMV-AVYPCKFXSA-N 2 0 422.530 -1.924 20 0 HAADRP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158111878 1072160285 /nfs/dbraw/zinc/16/02/85/1072160285.db2.gz RYFIOOJDWOIBSW-DJJJIMSYSA-N 2 0 401.471 -1.748 20 0 HAADRP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158111881 1072160413 /nfs/dbraw/zinc/16/04/13/1072160413.db2.gz RYFIOOJDWOIBSW-ORAYPTAESA-N 2 0 401.471 -1.748 20 0 HAADRP O=C(c1cnn2c1nccc2[C@H]1C[NH2+]CCO1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120347 1072160338 /nfs/dbraw/zinc/16/03/38/1072160338.db2.gz OUVGOSKXTGZBGX-FOIQADDNSA-N 2 0 411.466 -1.058 20 0 HAADRP O=C(c1cnn2c1nccc2[C@@H]1C[NH2+]CCO1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120348 1072160225 /nfs/dbraw/zinc/16/02/25/1072160225.db2.gz OUVGOSKXTGZBGX-MGPUTAFESA-N 2 0 411.466 -1.058 20 0 HAADRP O=C(c1cnn2c1nccc2[C@H]1C[NH2+]CCO1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120349 1072160398 /nfs/dbraw/zinc/16/03/98/1072160398.db2.gz OUVGOSKXTGZBGX-QRWLVFNGSA-N 2 0 411.466 -1.058 20 0 HAADRP O=C(c1cnn2c1nccc2[C@@H]1C[NH2+]CCO1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120353 1072160272 /nfs/dbraw/zinc/16/02/72/1072160272.db2.gz OUVGOSKXTGZBGX-YWZLYKJASA-N 2 0 411.466 -1.058 20 0 HAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120661 1072160910 /nfs/dbraw/zinc/16/09/10/1072160910.db2.gz PFEWTASEMWNWNV-AUSJPIAWSA-N 3 0 406.531 -1.628 20 0 HAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120663 1072160878 /nfs/dbraw/zinc/16/08/78/1072160878.db2.gz PFEWTASEMWNWNV-AVYPCKFXSA-N 3 0 406.531 -1.628 20 0 HAADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158180483 1072161000 /nfs/dbraw/zinc/16/10/00/1072161000.db2.gz XNVBTTCXXSPPHA-LTIDMASMSA-N 2 0 409.531 -1.168 20 0 HAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC[C@@H]2[NH2+]CC[C@H]21)C(=O)CF ZINC001158208621 1072160902 /nfs/dbraw/zinc/16/09/02/1072160902.db2.gz VIAWTONDFFKODW-CGEFAEBTSA-N 2 0 413.494 -1.149 20 0 HAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158277671 1072161764 /nfs/dbraw/zinc/16/17/64/1072161764.db2.gz RMFYZRZGLJJCTR-KBPBESRZSA-N 2 0 418.502 -1.847 20 0 HAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158277925 1072161696 /nfs/dbraw/zinc/16/16/96/1072161696.db2.gz XNEFUAZKPBZFKF-UHFFFAOYSA-N 2 0 421.462 -3.994 20 0 HAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1)C(=O)CF ZINC001158305800 1072161783 /nfs/dbraw/zinc/16/17/83/1072161783.db2.gz MBYLFXCQXUNILW-CGEFAEBTSA-N 2 0 413.494 -1.292 20 0 HAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001158336403 1072161621 /nfs/dbraw/zinc/16/16/21/1072161621.db2.gz KHFTUUUKIWTCMT-LSDHHAIUSA-N 2 0 402.455 -2.609 20 0 HAADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@H]1COC3(C[NH2+]C3)CN1)C2 ZINC001158380146 1072161668 /nfs/dbraw/zinc/16/16/68/1072161668.db2.gz CWGUSYUDPAMUSB-HFBAOOFYSA-N 2 0 406.405 -1.140 20 0 HAADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H]1COC3(C[NH2+]C3)CN1)C2 ZINC001158380147 1072162200 /nfs/dbraw/zinc/16/22/00/1072162200.db2.gz CWGUSYUDPAMUSB-IUIKQTSFSA-N 2 0 406.405 -1.140 20 0 HAADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@H]1COC3(C[NH2+]C3)CN1)C2 ZINC001158380148 1072162283 /nfs/dbraw/zinc/16/22/83/1072162283.db2.gz CWGUSYUDPAMUSB-LYRGGWFBSA-N 2 0 406.405 -1.140 20 0 HAADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]1COC3(C[NH2+]C3)CN1)C2 ZINC001158380149 1072162224 /nfs/dbraw/zinc/16/22/24/1072162224.db2.gz CWGUSYUDPAMUSB-XZJROXQQSA-N 2 0 406.405 -1.140 20 0 HAADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C2 ZINC001158384138 1072162296 /nfs/dbraw/zinc/16/22/96/1072162296.db2.gz UCEWSLMUFKUJFX-CHPZLBCBSA-N 2 0 410.393 -1.646 20 0 HAADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C2 ZINC001158384139 1072162249 /nfs/dbraw/zinc/16/22/49/1072162249.db2.gz UCEWSLMUFKUJFX-FCIDVOKBSA-N 2 0 410.393 -1.646 20 0 HAADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C2 ZINC001158384140 1072162169 /nfs/dbraw/zinc/16/21/69/1072162169.db2.gz UCEWSLMUFKUJFX-MISXLKTNSA-N 2 0 410.393 -1.646 20 0 HAADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C2 ZINC001158384141 1072162107 /nfs/dbraw/zinc/16/21/07/1072162107.db2.gz UCEWSLMUFKUJFX-NBLIUIFLSA-N 2 0 410.393 -1.646 20 0 HAADRP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C2 ZINC001158479622 1072162833 /nfs/dbraw/zinc/16/28/33/1072162833.db2.gz NVBVLBDHKJFJER-VPCSNGCSSA-N 2 0 410.515 -1.018 20 0 HAADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001158497504 1072162807 /nfs/dbraw/zinc/16/28/07/1072162807.db2.gz AIYBPIWORUOVPS-YYFQZIEXSA-N 2 0 409.487 -1.807 20 0 HAADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001158498599 1072162901 /nfs/dbraw/zinc/16/29/01/1072162901.db2.gz RHNXEZMQFDDROJ-SDDRHHMPSA-N 2 0 412.447 -3.954 20 0 HAADRP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158548675 1072162796 /nfs/dbraw/zinc/16/27/96/1072162796.db2.gz WHPOOZXKHFWUCW-PKQISHPWSA-N 2 0 418.494 -1.282 20 0 HAADRP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158548676 1072162856 /nfs/dbraw/zinc/16/28/56/1072162856.db2.gz WHPOOZXKHFWUCW-VNKNLUDZSA-N 2 0 418.494 -1.282 20 0 HAADRP O=C(COCc1nnn2c1CN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)CCC2)N1CCCC1 ZINC001158629092 1072163684 /nfs/dbraw/zinc/16/36/84/1072163684.db2.gz BZQXURZSZWZBAV-HNNXBMFYSA-N 2 0 417.514 -1.042 20 0 HAADRP O=C(COCc1nnn2c1CN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)CCC2)N1CCCC1 ZINC001158629095 1072163609 /nfs/dbraw/zinc/16/36/09/1072163609.db2.gz BZQXURZSZWZBAV-OAHLLOKOSA-N 2 0 417.514 -1.042 20 0 HAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1 ZINC001158659538 1072163500 /nfs/dbraw/zinc/16/35/00/1072163500.db2.gz ORHVAKZLQKKFAR-JQWIXIFHSA-N 2 0 416.442 -1.649 20 0 HAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1 ZINC001158660401 1072163649 /nfs/dbraw/zinc/16/36/49/1072163649.db2.gz RWRYVSAODCKIBL-UHFFFAOYSA-N 2 0 409.472 -1.136 20 0 HAADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158681906 1072164210 /nfs/dbraw/zinc/16/42/10/1072164210.db2.gz PXCFANDZBDBWEO-RRFJBIMHSA-N 2 0 424.527 -1.398 20 0 HAADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158681910 1072164297 /nfs/dbraw/zinc/16/42/97/1072164297.db2.gz PXCFANDZBDBWEO-SOUVJXGZSA-N 2 0 424.527 -1.398 20 0 HAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001158734905 1072164807 /nfs/dbraw/zinc/16/48/07/1072164807.db2.gz HQYBHXZLHRCJHI-UHFFFAOYSA-N 2 0 409.490 -2.171 20 0 HAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001158734993 1072164746 /nfs/dbraw/zinc/16/47/46/1072164746.db2.gz JBXCYCKMSXZMRA-WPRPVWTQSA-N 2 0 416.460 -2.684 20 0 HAADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001158735621 1072164722 /nfs/dbraw/zinc/16/47/22/1072164722.db2.gz WGTMQEZMYPMXSW-CYBMUJFWSA-N 2 0 400.505 -1.641 20 0 HAADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001158735623 1072164703 /nfs/dbraw/zinc/16/47/03/1072164703.db2.gz WGTMQEZMYPMXSW-ZDUSSCGKSA-N 2 0 400.505 -1.641 20 0 HAADRP CN(C)C(=O)COCc1noc2c1CN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)CC2 ZINC001158747894 1072165489 /nfs/dbraw/zinc/16/54/89/1072165489.db2.gz KSOXTPPHYPQCFP-HNNXBMFYSA-N 2 0 408.503 -1.086 20 0 HAADRP CN(C)C(=O)COCc1noc2c1CN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)CC2 ZINC001158747895 1072165734 /nfs/dbraw/zinc/16/57/34/1072165734.db2.gz KSOXTPPHYPQCFP-OAHLLOKOSA-N 2 0 408.503 -1.086 20 0 HAADRP C[N@@H+]1C[C@@H](C(=O)N2CCn3c(CN4CCOCC4)nnc3C2)OC2(CC[NH2+]CC2)C1 ZINC001158821671 1072166877 /nfs/dbraw/zinc/16/68/77/1072166877.db2.gz PAGQHIRVEKJUNQ-INIZCTEOSA-N 2 0 419.530 -1.095 20 0 HAADRP C[N@@H+]1C[C@H](C(=O)N2CCn3c(CN4CCOCC4)nnc3C2)OC2(CC[NH2+]CC2)C1 ZINC001158821672 1072166978 /nfs/dbraw/zinc/16/69/78/1072166978.db2.gz PAGQHIRVEKJUNQ-MRXNPFEDSA-N 2 0 419.530 -1.095 20 0 HAADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)CC2 ZINC001158890855 1072167613 /nfs/dbraw/zinc/16/76/13/1072167613.db2.gz OULOQYQZEQQHLA-UONOGXRCSA-N 2 0 410.519 -1.713 20 0 HAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N(c1ncccc1F)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158904567 1072167642 /nfs/dbraw/zinc/16/76/42/1072167642.db2.gz UPSGFFNDMHXAJZ-GWSNDMCOSA-N 2 0 422.461 -1.218 20 0 HAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N(c1ncccc1F)[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158904569 1072167462 /nfs/dbraw/zinc/16/74/62/1072167462.db2.gz UPSGFFNDMHXAJZ-MAAUKKLOSA-N 2 0 422.461 -1.218 20 0 HAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N(c1ncccc1F)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158904571 1072167576 /nfs/dbraw/zinc/16/75/76/1072167576.db2.gz UPSGFFNDMHXAJZ-SWDXJLKVSA-N 2 0 422.461 -1.218 20 0 HAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N(c1ncccc1F)[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158904573 1072167716 /nfs/dbraw/zinc/16/77/16/1072167716.db2.gz UPSGFFNDMHXAJZ-VIOOABJFSA-N 2 0 422.461 -1.218 20 0 HAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001158968707 1072168145 /nfs/dbraw/zinc/16/81/45/1072168145.db2.gz XBHPBLNYJMYSKM-UHFFFAOYSA-N 2 0 422.530 -1.839 20 0 HAADRP COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001158992354 1072170172 /nfs/dbraw/zinc/17/01/72/1072170172.db2.gz VUAITMLCPISLMO-PBHICJAKSA-N 2 0 407.519 -1.646 20 0 HAADRP COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001158992357 1072170258 /nfs/dbraw/zinc/17/02/58/1072170258.db2.gz VUAITMLCPISLMO-RHSMWYFYSA-N 2 0 407.519 -1.646 20 0 HAADRP COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001158992358 1072170098 /nfs/dbraw/zinc/17/00/98/1072170098.db2.gz VUAITMLCPISLMO-WMLDXEAASA-N 2 0 407.519 -1.646 20 0 HAADRP COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001158992360 1072170111 /nfs/dbraw/zinc/17/01/11/1072170111.db2.gz VUAITMLCPISLMO-YOEHRIQHSA-N 2 0 407.519 -1.646 20 0 HAADRP Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC2 ZINC001159073770 1072171518 /nfs/dbraw/zinc/17/15/18/1072171518.db2.gz DFCIHFZAYRMOFM-AWEZNQCLSA-N 2 0 409.560 -1.288 20 0 HAADRP Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)CC2 ZINC001159073792 1072171549 /nfs/dbraw/zinc/17/15/49/1072171549.db2.gz DZLBEILHYQODIJ-HNNXBMFYSA-N 2 0 401.515 -1.499 20 0 HAADRP Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)CC2 ZINC001159073793 1072171457 /nfs/dbraw/zinc/17/14/57/1072171457.db2.gz DZLBEILHYQODIJ-OAHLLOKOSA-N 2 0 401.515 -1.499 20 0 HAADRP COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001159075265 1072172235 /nfs/dbraw/zinc/17/22/35/1072172235.db2.gz FPPPECBEFKXIAS-HLIPFELVSA-N 2 0 411.547 -1.008 20 0 HAADRP COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001159075267 1072172276 /nfs/dbraw/zinc/17/22/76/1072172276.db2.gz FPPPECBEFKXIAS-QKLQHJQFSA-N 2 0 411.547 -1.008 20 0 HAADRP COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001159075268 1072172298 /nfs/dbraw/zinc/17/22/98/1072172298.db2.gz FPPPECBEFKXIAS-UWVAXJGDSA-N 2 0 411.547 -1.008 20 0 HAADRP COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001159075270 1072172363 /nfs/dbraw/zinc/17/23/63/1072172363.db2.gz FPPPECBEFKXIAS-ZWOKBUDYSA-N 2 0 411.547 -1.008 20 0 HAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H]2COC[C@H](C(=O)Nc3cnccn3)[C@@H]2C1 ZINC001159076828 1072173034 /nfs/dbraw/zinc/17/30/34/1072173034.db2.gz YHQZIXCMOCNIKS-MXASKKJJSA-N 2 0 417.514 -1.114 20 0 HAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H]2COC[C@H](C(=O)Nc3cnccn3)[C@@H]2C1 ZINC001159076829 1072172946 /nfs/dbraw/zinc/17/29/46/1072172946.db2.gz YHQZIXCMOCNIKS-SIXLDLHFSA-N 2 0 417.514 -1.114 20 0 HAADRP Cn1nnc2c1CCN(C(=O)/C=C/C(=O)NCC[NH3+])[C@H]2COCC[NH+]1CCCC1 ZINC001159116493 1072173399 /nfs/dbraw/zinc/17/33/99/1072173399.db2.gz OTFLLAHPKFPZIC-APHBUQMISA-N 2 0 405.503 -1.016 20 0 HAADRP Cn1nnc2c1CCN(C(=O)/C=C/C(=O)NCC[NH3+])[C@@H]2COCC[NH+]1CCCC1 ZINC001159116495 1072173606 /nfs/dbraw/zinc/17/36/06/1072173606.db2.gz OTFLLAHPKFPZIC-DWTRPJMMSA-N 2 0 405.503 -1.016 20 0 HAADRP Cn1nnc2c1CCN(C(=O)[C@@H]1COC3(C[NH2+]C3)CN1)[C@@H]2COCC[NH+]1CCCC1 ZINC001159122982 1072173495 /nfs/dbraw/zinc/17/34/95/1072173495.db2.gz BYXSVBDAFNBXJA-DOTOQJQBSA-N 2 0 419.530 -1.316 20 0 HAADRP Cn1nnc2c1CCN(C(=O)[C@H]1COC3(C[NH2+]C3)CN1)[C@@H]2COCC[NH+]1CCCC1 ZINC001159122983 1072173507 /nfs/dbraw/zinc/17/35/07/1072173507.db2.gz BYXSVBDAFNBXJA-NVXWUHKLSA-N 2 0 419.530 -1.316 20 0 HAADRP Cn1nnc2c1CCN(C(=O)[C@@H]1COC3(C[NH2+]C3)CN1)[C@H]2COCC[NH+]1CCCC1 ZINC001159122984 1072173419 /nfs/dbraw/zinc/17/34/19/1072173419.db2.gz BYXSVBDAFNBXJA-RDJZCZTQSA-N 2 0 419.530 -1.316 20 0 HAADRP Cn1nnc2c1CCN(C(=O)[C@H]1COC3(C[NH2+]C3)CN1)[C@H]2COCC[NH+]1CCCC1 ZINC001159122985 1072173592 /nfs/dbraw/zinc/17/35/92/1072173592.db2.gz BYXSVBDAFNBXJA-WBVHZDCISA-N 2 0 419.530 -1.316 20 0 HAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001159123012 1072173640 /nfs/dbraw/zinc/17/36/40/1072173640.db2.gz CMJPFQHYNZWKSD-DZKIICNBSA-N 2 0 423.518 -1.822 20 0 HAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001159123013 1072173452 /nfs/dbraw/zinc/17/34/52/1072173452.db2.gz CMJPFQHYNZWKSD-OFQRWUPVSA-N 2 0 423.518 -1.822 20 0 HAADRP Cn1nnc2c1CCN(C(=O)[C@H]1NC(=O)CC13C[NH2+]C3)[C@@H]2COCC[NH+]1CCCC1 ZINC001159124853 1072173533 /nfs/dbraw/zinc/17/35/33/1072173533.db2.gz RAVNPSBEPDNWJY-CRAIPNDOSA-N 2 0 417.514 -1.169 20 0 HAADRP Cn1nnc2c1CCN(C(=O)[C@H]1NC(=O)CC13C[NH2+]C3)[C@H]2COCC[NH+]1CCCC1 ZINC001159124855 1072173522 /nfs/dbraw/zinc/17/35/22/1072173522.db2.gz RAVNPSBEPDNWJY-MAUKXSAKSA-N 2 0 417.514 -1.169 20 0 HAADRP Cn1nnc2c1CCN(C(=O)[C@@H]1NC(=O)CC13C[NH2+]C3)[C@@H]2COCC[NH+]1CCCC1 ZINC001159124856 1072174358 /nfs/dbraw/zinc/17/43/58/1072174358.db2.gz RAVNPSBEPDNWJY-QAPCUYQASA-N 2 0 417.514 -1.169 20 0 HAADRP Cn1nnc2c1CCN(C(=O)[C@@H]1NC(=O)CC13C[NH2+]C3)[C@H]2COCC[NH+]1CCCC1 ZINC001159124858 1072174278 /nfs/dbraw/zinc/17/42/78/1072174278.db2.gz RAVNPSBEPDNWJY-YJBOKZPZSA-N 2 0 417.514 -1.169 20 0 HAADRP CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)C2)C1 ZINC001159126010 1072174333 /nfs/dbraw/zinc/17/43/33/1072174333.db2.gz KAPVRNYPEGHALA-FXAWDEMLSA-N 2 0 410.563 -1.576 20 0 HAADRP CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)C2)C1 ZINC001159126011 1072174298 /nfs/dbraw/zinc/17/42/98/1072174298.db2.gz KAPVRNYPEGHALA-PXNSSMCTSA-N 2 0 410.563 -1.576 20 0 HAADRP CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)C2)C1 ZINC001159126012 1072174119 /nfs/dbraw/zinc/17/41/19/1072174119.db2.gz KAPVRNYPEGHALA-XLIONFOSSA-N 2 0 410.563 -1.576 20 0 HAADRP CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)C2)C1 ZINC001159126013 1072174361 /nfs/dbraw/zinc/17/43/61/1072174361.db2.gz KAPVRNYPEGHALA-YLJYHZDGSA-N 2 0 410.563 -1.576 20 0 HAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1Cc2nccn2C[C@H](C[NH+](C)C)C1 ZINC001159132850 1072174182 /nfs/dbraw/zinc/17/41/82/1072174182.db2.gz DLJMYWJKHQLPIL-JYJNAYRXSA-N 2 0 419.530 -1.143 20 0 HAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1Cc2nccn2C[C@@H](C[NH+](C)C)C1 ZINC001159132851 1072174348 /nfs/dbraw/zinc/17/43/48/1072174348.db2.gz DLJMYWJKHQLPIL-XHSDSOJGSA-N 2 0 419.530 -1.143 20 0 HAADRP C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C1 ZINC001159135545 1072174284 /nfs/dbraw/zinc/17/42/84/1072174284.db2.gz XCAFONLCQYONRU-CYBMUJFWSA-N 2 0 422.490 -3.290 20 0 HAADRP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C1 ZINC001159135559 1072174159 /nfs/dbraw/zinc/17/41/59/1072174159.db2.gz XCAFONLCQYONRU-ZDUSSCGKSA-N 2 0 422.490 -3.290 20 0 HAADRP CN(C)C(=O)COC[C@H]1CC[C@@H]2[C@@H](CCN2C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)O1 ZINC001159136207 1072174945 /nfs/dbraw/zinc/17/49/45/1072174945.db2.gz PCUNMSQHCVYPBI-BRSBDYLESA-N 2 0 411.547 -1.010 20 0 HAADRP CN(C)C(=O)COC[C@H]1CC[C@@H]2[C@@H](CCN2C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)O1 ZINC001159136208 1072174738 /nfs/dbraw/zinc/17/47/38/1072174738.db2.gz PCUNMSQHCVYPBI-XMTFNYHQSA-N 2 0 411.547 -1.010 20 0 HAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001159158394 1072175058 /nfs/dbraw/zinc/17/50/58/1072175058.db2.gz NWBSNXZFONIJIR-ZFWWWQNUSA-N 2 0 405.503 -1.429 20 0 HAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1)C(N)=O ZINC001159158840 1072174753 /nfs/dbraw/zinc/17/47/53/1072174753.db2.gz SOKBPNYEKQUEKA-GOEBONIOSA-N 2 0 419.530 -1.039 20 0 HAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001159166233 1072175015 /nfs/dbraw/zinc/17/50/15/1072175015.db2.gz JPBLAJWQVDXFOS-ITWBUVANSA-N 2 0 419.530 -1.196 20 0 HAADRP CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC3)C1=O ZINC001159183115 1072175445 /nfs/dbraw/zinc/17/54/45/1072175445.db2.gz YRJJATGYPNJHGH-KBXCAEBGSA-N 2 0 415.560 -1.215 20 0 HAADRP CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@H]([NH3+])CCC[NH3+])CC3)C1=O ZINC001159183116 1072175640 /nfs/dbraw/zinc/17/56/40/1072175640.db2.gz YRJJATGYPNJHGH-KDOFPFPSSA-N 2 0 415.560 -1.215 20 0 HAADRP CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC3)C1=O ZINC001159183117 1072175390 /nfs/dbraw/zinc/17/53/90/1072175390.db2.gz YRJJATGYPNJHGH-KSSFIOAISA-N 2 0 415.560 -1.215 20 0 HAADRP CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@H]([NH3+])CCC[NH3+])CC3)C1=O ZINC001159183118 1072175458 /nfs/dbraw/zinc/17/54/58/1072175458.db2.gz YRJJATGYPNJHGH-RDTXWAMCSA-N 2 0 415.560 -1.215 20 0 HAADRP CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)C[NH2+]CCC[NH3+])CC3)C1=O ZINC001159189300 1072175529 /nfs/dbraw/zinc/17/55/29/1072175529.db2.gz COVUHTBQGOBJPQ-GOSISDBHSA-N 2 0 415.560 -1.343 20 0 HAADRP CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)C[NH2+]CCC[NH3+])CC3)C1=O ZINC001159189301 1072175596 /nfs/dbraw/zinc/17/55/96/1072175596.db2.gz COVUHTBQGOBJPQ-SFHVURJKSA-N 2 0 415.560 -1.343 20 0 HAADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@H]1CNC(=O)C13CC[NH2+]CC3)CC2 ZINC001159190807 1072176124 /nfs/dbraw/zinc/17/61/24/1072176124.db2.gz MHWFDTAVQOAWNH-AWEZNQCLSA-N 2 0 418.498 -1.034 20 0 HAADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@H]1CNC(=O)C13CC[NH2+]CC3)CC2 ZINC001159190808 1072176207 /nfs/dbraw/zinc/17/62/07/1072176207.db2.gz MHWFDTAVQOAWNH-CQSZACIVSA-N 2 0 418.498 -1.034 20 0 HAADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)CC2 ZINC001159191033 1072176155 /nfs/dbraw/zinc/17/61/55/1072176155.db2.gz QLFYQEJUEISYIF-UHFFFAOYSA-N 2 0 416.504 -1.929 20 0 HAADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)CC2 ZINC001159191468 1072176700 /nfs/dbraw/zinc/17/67/00/1072176700.db2.gz GUFKBORJDNHNMY-HNNXBMFYSA-N 3 0 407.519 -1.399 20 0 HAADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)CC2 ZINC001159191470 1072176762 /nfs/dbraw/zinc/17/67/62/1072176762.db2.gz GUFKBORJDNHNMY-OAHLLOKOSA-N 3 0 407.519 -1.399 20 0 HAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001159192661 1072177253 /nfs/dbraw/zinc/17/72/53/1072177253.db2.gz VVLFPFBREMCZQL-JQWIXIFHSA-N 2 0 423.474 -2.442 20 0 HAADRP COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001159224251 1072177839 /nfs/dbraw/zinc/17/78/39/1072177839.db2.gz HMZSWCWAQJUPAF-CVEARBPZSA-N 2 0 417.518 -1.214 20 0 HAADRP COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001159224252 1072177885 /nfs/dbraw/zinc/17/78/85/1072177885.db2.gz HMZSWCWAQJUPAF-HOTGVXAUSA-N 2 0 417.518 -1.214 20 0 HAADRP COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001159224253 1072177903 /nfs/dbraw/zinc/17/79/03/1072177903.db2.gz HMZSWCWAQJUPAF-HZPDHXFCSA-N 2 0 417.518 -1.214 20 0 HAADRP COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001159224254 1072177805 /nfs/dbraw/zinc/17/78/05/1072177805.db2.gz HMZSWCWAQJUPAF-JKSUJKDBSA-N 2 0 417.518 -1.214 20 0 HAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N(Cc1cnc2n1CC[NH2+]CC2)c1ccccn1 ZINC001159235047 1072178386 /nfs/dbraw/zinc/17/83/86/1072178386.db2.gz PXXOSHKLAVZBPI-ZFWWWQNUSA-N 2 0 401.471 -1.219 20 0 HAADRP CO[C@@H]1CCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC001159317516 1072179028 /nfs/dbraw/zinc/17/90/28/1072179028.db2.gz WOIBMWXYQJFFFA-OGCZYDBJSA-N 2 0 405.499 -1.046 20 0 HAADRP O=C([C@H]1C[NH2+]C[C@H](O)C1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393154 1072179616 /nfs/dbraw/zinc/17/96/16/1072179616.db2.gz AFDAPRLUCLAQED-DMRZNYOFSA-N 2 0 421.523 -1.212 20 0 HAADRP O=C([C@@H]1C[NH2+]C[C@H](O)C1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393161 1072179621 /nfs/dbraw/zinc/17/96/21/1072179621.db2.gz AFDAPRLUCLAQED-DRPJVOAASA-N 2 0 421.523 -1.212 20 0 HAADRP O=C([C@@H]1C[NH2+]C[C@@H](O)C1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393163 1072179631 /nfs/dbraw/zinc/17/96/31/1072179631.db2.gz AFDAPRLUCLAQED-QCEMKRCNSA-N 2 0 421.523 -1.212 20 0 HAADRP O=C([C@H]1C[NH2+]C[C@@H](O)C1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393171 1072179592 /nfs/dbraw/zinc/17/95/92/1072179592.db2.gz AFDAPRLUCLAQED-SYAUCNOPSA-N 2 0 421.523 -1.212 20 0 HAADRP CN1CC[NH2+]C[C@@H]1C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393302 1072179708 /nfs/dbraw/zinc/17/97/08/1072179708.db2.gz AWZQHVBSOVCTJE-ARFHVFGLSA-N 2 0 420.539 -1.279 20 0 HAADRP CN1CC[NH2+]C[C@H]1C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393304 1072179541 /nfs/dbraw/zinc/17/95/41/1072179541.db2.gz AWZQHVBSOVCTJE-HRCADAONSA-N 2 0 420.539 -1.279 20 0 HAADRP N[C@@]1(C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)CCC[NH2+]C1 ZINC001159393396 1072179691 /nfs/dbraw/zinc/17/96/91/1072179691.db2.gz FDCMIDWSZSATKX-KHYOSLBOSA-N 2 0 420.539 -1.101 20 0 HAADRP N[C@]1(C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)CCC[NH2+]C1 ZINC001159393566 1072179521 /nfs/dbraw/zinc/17/95/21/1072179521.db2.gz FDCMIDWSZSATKX-QMTMVMCOSA-N 2 0 420.539 -1.101 20 0 HAADRP O=C([C@H]1C[C@@H](O)C[NH2+]1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393638 1072179658 /nfs/dbraw/zinc/17/96/58/1072179658.db2.gz GNYJKORPBPAVOJ-LXTVHRRPSA-N 2 0 407.496 -1.459 20 0 HAADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393639 1072180083 /nfs/dbraw/zinc/18/00/83/1072180083.db2.gz GNYJKORPBPAVOJ-ZQDZILKHSA-N 2 0 407.496 -1.459 20 0 HAADRP NC1(C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)CC[NH2+]CC1 ZINC001159393938 1072180183 /nfs/dbraw/zinc/18/01/83/1072180183.db2.gz JPBDSGFWXCXHTO-LSDHHAIUSA-N 2 0 420.539 -1.101 20 0 HAADRP O=C([C@H]1C[NH2+]CCO1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393972 1072180101 /nfs/dbraw/zinc/18/01/01/1072180101.db2.gz KUCSXWXFKFVHFH-RRFJBIMHSA-N 2 0 407.496 -1.194 20 0 HAADRP O=C([C@@H]1C[NH2+]CCO1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393973 1072180187 /nfs/dbraw/zinc/18/01/87/1072180187.db2.gz KUCSXWXFKFVHFH-SOUVJXGZSA-N 2 0 407.496 -1.194 20 0 HAADRP [NH3+]CCC[C@@H]([NH3+])C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394253 1072180033 /nfs/dbraw/zinc/18/00/33/1072180033.db2.gz MLPRSWHHRLWKBN-RRFJBIMHSA-N 3 0 408.528 -1.116 20 0 HAADRP [NH3+]CCC[C@H]([NH3+])C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394256 1072180090 /nfs/dbraw/zinc/18/00/90/1072180090.db2.gz MLPRSWHHRLWKBN-SOUVJXGZSA-N 3 0 408.528 -1.116 20 0 HAADRP [NH3+][C@H]1CN[C@H](C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)C1 ZINC001159394350 1072180125 /nfs/dbraw/zinc/18/01/25/1072180125.db2.gz MTSBFFNGEIWNCQ-CBBWQLFWSA-N 2 0 406.512 -1.493 20 0 HAADRP [NH3+][C@@H]1CN[C@H](C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)C1 ZINC001159394381 1072180170 /nfs/dbraw/zinc/18/01/70/1072180170.db2.gz MTSBFFNGEIWNCQ-ZQDZILKHSA-N 2 0 406.512 -1.493 20 0 HAADRP O=C([C@H]1C[NH2+]C[C@H]1O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394384 1072180056 /nfs/dbraw/zinc/18/00/56/1072180056.db2.gz MUFXQHJXPDXDDW-BYNSBNAKSA-N 2 0 407.496 -1.602 20 0 HAADRP O=C([C@@H]1C[NH2+]C[C@@H]1O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394391 1072180154 /nfs/dbraw/zinc/18/01/54/1072180154.db2.gz MUFXQHJXPDXDDW-CBBWQLFWSA-N 2 0 407.496 -1.602 20 0 HAADRP O=C([C@@H]1C[NH2+]C[C@H]1O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394392 1072180200 /nfs/dbraw/zinc/18/02/00/1072180200.db2.gz MUFXQHJXPDXDDW-LXTVHRRPSA-N 2 0 407.496 -1.602 20 0 HAADRP O=C([C@H]1C[NH2+]C[C@@H]1O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394393 1072180164 /nfs/dbraw/zinc/18/01/64/1072180164.db2.gz MUFXQHJXPDXDDW-ZQDZILKHSA-N 2 0 407.496 -1.602 20 0 HAADRP O=C(n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2)C1(O)CC[NH2+]CC1 ZINC001159394397 1072180205 /nfs/dbraw/zinc/18/02/05/1072180205.db2.gz MZAPNXCWANVTRX-LSDHHAIUSA-N 2 0 421.523 -1.068 20 0 HAADRP O=C([C@H]1[NH2+]CC[C@@H]1O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394413 1072180144 /nfs/dbraw/zinc/18/01/44/1072180144.db2.gz NIRXWZVNRANZFV-AYDFFVQHSA-N 2 0 407.496 -1.459 20 0 HAADRP O=C([C@H]1[NH2+]CC[C@H]1O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394414 1072180116 /nfs/dbraw/zinc/18/01/16/1072180116.db2.gz NIRXWZVNRANZFV-NHIYQJMISA-N 2 0 407.496 -1.459 20 0 HAADRP O=C(CN1CC[NH2+]CC1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394416 1072180067 /nfs/dbraw/zinc/18/00/67/1072180067.db2.gz NIWUZEUOYCVSPP-JKSUJKDBSA-N 2 0 420.539 -1.277 20 0 HAADRP O=C(n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2)[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001159394459 1072180012 /nfs/dbraw/zinc/18/00/12/1072180012.db2.gz NSMZRNWDEHJNBX-NXEZDXNNSA-N 2 0 419.507 -1.051 20 0 HAADRP O=C([C@H]1C[NH2+]CC[C@H]1O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394590 1072180149 /nfs/dbraw/zinc/18/01/49/1072180149.db2.gz OIUAPGJLJTXBJP-CAOSSQGBSA-N 2 0 421.523 -1.212 20 0 HAADRP O=C([C@@H]1C[NH2+]CC[C@@H]1O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394591 1072180554 /nfs/dbraw/zinc/18/05/54/1072180554.db2.gz OIUAPGJLJTXBJP-FXUDXRNXSA-N 2 0 421.523 -1.212 20 0 HAADRP O=C([C@@H]1C[NH2+]CC[C@H]1O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394593 1072180561 /nfs/dbraw/zinc/18/05/61/1072180561.db2.gz OIUAPGJLJTXBJP-QKPAOTATSA-N 2 0 421.523 -1.212 20 0 HAADRP O=C([C@H]1C[NH2+]CC[C@@H]1O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394594 1072180545 /nfs/dbraw/zinc/18/05/45/1072180545.db2.gz OIUAPGJLJTXBJP-YHUYYLMFSA-N 2 0 421.523 -1.212 20 0 HAADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394747 1072180725 /nfs/dbraw/zinc/18/07/25/1072180725.db2.gz QCIUOVFHHFBFQB-ZQDZILKHSA-N 2 0 406.512 -1.636 20 0 HAADRP C[NH2+][C@H](C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2)[C@@H](C)O ZINC001159394897 1072180693 /nfs/dbraw/zinc/18/06/93/1072180693.db2.gz SPBKYTYBBJGAFZ-KAOXEZKKSA-N 2 0 409.512 -1.213 20 0 HAADRP [NH3+]CC(=O)NCC(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159395188 1072180674 /nfs/dbraw/zinc/18/06/74/1072180674.db2.gz UYXWQNUKPQUKGX-QWHCGFSZSA-N 2 0 408.484 -2.107 20 0 HAADRP CC(C)(O)[C@H]([NH3+])C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159395263 1072180639 /nfs/dbraw/zinc/18/06/39/1072180639.db2.gz VWRASEKISRLAHS-GZBFAFLISA-N 2 0 409.512 -1.084 20 0 HAADRP N[C@@]1(C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)CC[NH2+]C1 ZINC001159395291 1072180592 /nfs/dbraw/zinc/18/05/92/1072180592.db2.gz WLOQPZWHALOTPG-IYOUNJFTSA-N 2 0 406.512 -1.491 20 0 HAADRP N[C@]1(C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)CC[NH2+]C1 ZINC001159395293 1072180531 /nfs/dbraw/zinc/18/05/31/1072180531.db2.gz WLOQPZWHALOTPG-PMUMKWKESA-N 2 0 406.512 -1.491 20 0 HAADRP O=C([C@@H]1C[NH2+]CCN1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159395377 1072180778 /nfs/dbraw/zinc/18/07/78/1072180778.db2.gz XEQHSWYNPZOCLM-SOUVJXGZSA-N 2 0 406.512 -1.621 20 0 HAADRP [NH3+][C@@H]1COC[C@@H]1C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159395776 1072180573 /nfs/dbraw/zinc/18/05/73/1072180573.db2.gz YXBAAJLXVQUVSX-BYNSBNAKSA-N 2 0 407.496 -1.209 20 0 HAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159402556 1072180604 /nfs/dbraw/zinc/18/06/04/1072180604.db2.gz HRRGYDWRJFDKPQ-YYFQZIEXSA-N 2 0 419.486 -1.859 20 0 HAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159404346 1072180737 /nfs/dbraw/zinc/18/07/37/1072180737.db2.gz ZMXWSILOPADUKV-SOUVJXGZSA-N 2 0 412.516 -1.346 20 0 HAADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)CC3)CC1 ZINC001159416675 1072181382 /nfs/dbraw/zinc/18/13/82/1072181382.db2.gz DPEDCSVGUBUEKA-UHFFFAOYSA-N 2 0 413.548 -1.807 20 0 HAADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@@H]2CCS(=O)(=O)C24C[NH2+]C4)CC3)CC1 ZINC001159417507 1072181161 /nfs/dbraw/zinc/18/11/61/1072181161.db2.gz SRMKRIJOLNYILY-INIZCTEOSA-N 2 0 422.555 -1.251 20 0 HAADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@H]2CCS(=O)(=O)C24C[NH2+]C4)CC3)CC1 ZINC001159417508 1072181200 /nfs/dbraw/zinc/18/12/00/1072181200.db2.gz SRMKRIJOLNYILY-MRXNPFEDSA-N 2 0 422.555 -1.251 20 0 HAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001159424248 1072181260 /nfs/dbraw/zinc/18/12/60/1072181260.db2.gz GPUOVVSOJFSTAO-ZFWWWQNUSA-N 2 0 420.518 -2.320 20 0 HAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159457740 1072183094 /nfs/dbraw/zinc/18/30/94/1072183094.db2.gz JHNPIXAMFFTNRX-LVQVYYBASA-N 2 0 416.544 -1.437 20 0 HAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159457741 1072182954 /nfs/dbraw/zinc/18/29/54/1072182954.db2.gz JHNPIXAMFFTNRX-XUWVNRHRSA-N 2 0 416.544 -1.437 20 0 HAADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159459134 1072184357 /nfs/dbraw/zinc/18/43/57/1072184357.db2.gz WBZVBGJSTHYWAP-APIJFGDWSA-N 2 0 402.517 -1.827 20 0 HAADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159459135 1072184411 /nfs/dbraw/zinc/18/44/11/1072184411.db2.gz WBZVBGJSTHYWAP-GBJTYRQASA-N 2 0 402.517 -1.827 20 0 HAADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159459178 1072184252 /nfs/dbraw/zinc/18/42/52/1072184252.db2.gz WBZVBGJSTHYWAP-KBUPBQIOSA-N 2 0 402.517 -1.827 20 0 HAADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159459180 1072184992 /nfs/dbraw/zinc/18/49/92/1072184992.db2.gz WBZVBGJSTHYWAP-LJISPDSOSA-N 2 0 402.517 -1.827 20 0 HAADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C2 ZINC001159481460 1072184845 /nfs/dbraw/zinc/18/48/45/1072184845.db2.gz QFYDIIIOSVVAGP-NCLAMWEWSA-N 2 0 409.531 -1.099 20 0 HAADRP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)CCC2 ZINC001159493390 1072185611 /nfs/dbraw/zinc/18/56/11/1072185611.db2.gz NMKUSRDXNIQMBC-ZFWWWQNUSA-N 2 0 408.503 -1.360 20 0 HAADRP CN(C)C(=O)CN1CC[C@]2(CCCN(C(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)C2)C1=O ZINC001159507772 1072185525 /nfs/dbraw/zinc/18/55/25/1072185525.db2.gz PSWSPQFACMDCFJ-JXFKEZNVSA-N 2 0 408.547 -1.334 20 0 HAADRP CN(C)C(=O)CN1CC[C@@]2(CCCN(C(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)C2)C1=O ZINC001159507776 1072185395 /nfs/dbraw/zinc/18/53/95/1072185395.db2.gz PSWSPQFACMDCFJ-OXJNMPFZSA-N 2 0 408.547 -1.334 20 0 HAADRP CN(C)C(=O)CN1CC[C@@]2(CCCN(C(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)C2)C1=O ZINC001159507778 1072185554 /nfs/dbraw/zinc/18/55/54/1072185554.db2.gz PSWSPQFACMDCFJ-OXQOHEQNSA-N 2 0 408.547 -1.334 20 0 HAADRP CN(C)C(=O)CN1CC[C@]2(CCCN(C(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)C2)C1=O ZINC001159507781 1072185444 /nfs/dbraw/zinc/18/54/44/1072185444.db2.gz PSWSPQFACMDCFJ-UZLBHIALSA-N 2 0 408.547 -1.334 20 0 HAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159559663 1072186043 /nfs/dbraw/zinc/18/60/43/1072186043.db2.gz BUCRUJGSAZZHJA-JSGCOSHPSA-N 2 0 405.503 -1.035 20 0 HAADRP [NH3+]CCC[NH2+]CC(=O)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159600239 1072188100 /nfs/dbraw/zinc/18/81/00/1072188100.db2.gz TXLXQTMZTYIAJN-RYRKJORJSA-N 2 0 409.512 -1.096 20 0 HAADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@]13C[NH2+]C[C@H]1C[NH2+]CC3)CC2 ZINC001159607620 1072188015 /nfs/dbraw/zinc/18/80/15/1072188015.db2.gz CFQCYZMICODONT-YLJYHZDGSA-N 3 0 406.575 -1.118 20 0 HAADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@@H]1NC(=O)CC13C[NH2+]C3)CC2 ZINC001159608053 1072187904 /nfs/dbraw/zinc/18/79/04/1072187904.db2.gz FXXULJUGZNXLCD-INIZCTEOSA-N 2 0 406.531 -1.839 20 0 HAADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@H]1NC(=O)CC13C[NH2+]C3)CC2 ZINC001159608054 1072187929 /nfs/dbraw/zinc/18/79/29/1072187929.db2.gz FXXULJUGZNXLCD-MRXNPFEDSA-N 2 0 406.531 -1.839 20 0 HAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001159609104 1072188681 /nfs/dbraw/zinc/18/86/81/1072188681.db2.gz FONNDLNCWXRDAB-GJZGRUSLSA-N 2 0 412.535 -2.493 20 0 HAADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@@H]1CCCN1C(=O)C[NH3+])CC2 ZINC001159609543 1072188735 /nfs/dbraw/zinc/18/87/35/1072188735.db2.gz IGPYUUPNEAKQTF-INIZCTEOSA-N 2 0 408.547 -1.367 20 0 HAADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001159609849 1072188550 /nfs/dbraw/zinc/18/85/50/1072188550.db2.gz PBKBXCSALAMAIJ-KRWDZBQOSA-N 2 0 405.547 -1.013 20 0 HAADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)CC2 ZINC001159610191 1072188660 /nfs/dbraw/zinc/18/86/60/1072188660.db2.gz MUEASCGLILXFHA-INIZCTEOSA-N 2 0 408.547 -1.449 20 0 HAADRP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001159610352 1072188750 /nfs/dbraw/zinc/18/87/50/1072188750.db2.gz OLUQNJYWUMDNHZ-DLBZAZTESA-N 2 0 409.531 -1.166 20 0 HAADRP CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001159610356 1072188706 /nfs/dbraw/zinc/18/87/06/1072188706.db2.gz OLUQNJYWUMDNHZ-IAGOWNOFSA-N 2 0 409.531 -1.166 20 0 HAADRP CC(=O)O[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001159610360 1072188696 /nfs/dbraw/zinc/18/86/96/1072188696.db2.gz OLUQNJYWUMDNHZ-IRXDYDNUSA-N 2 0 409.531 -1.166 20 0 HAADRP CC(=O)O[C@H]1C[NH2+]C[C@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001159610362 1072188715 /nfs/dbraw/zinc/18/87/15/1072188715.db2.gz OLUQNJYWUMDNHZ-SJORKVTESA-N 2 0 409.531 -1.166 20 0 HAADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)CC2 ZINC001159610584 1072188727 /nfs/dbraw/zinc/18/87/27/1072188727.db2.gz QFFIDVJTNHZGDB-KUNJGFBQSA-N 2 0 401.577 -1.221 20 0 HAADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)CC2 ZINC001159610587 1072188672 /nfs/dbraw/zinc/18/86/72/1072188672.db2.gz QFFIDVJTNHZGDB-QZXCRCNTSA-N 2 0 401.577 -1.221 20 0 HAADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)CC2 ZINC001159610643 1072188604 /nfs/dbraw/zinc/18/86/04/1072188604.db2.gz QQIZUKAHKZYNNR-GOSISDBHSA-N 3 0 423.606 -1.566 20 0 HAADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)CC2 ZINC001159610654 1072188519 /nfs/dbraw/zinc/18/85/19/1072188519.db2.gz QQIZUKAHKZYNNR-SFHVURJKSA-N 3 0 423.606 -1.566 20 0 HAADRP CCOC(=O)C1(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)C[NH2+]C1 ZINC001159610739 1072188637 /nfs/dbraw/zinc/18/86/37/1072188637.db2.gz SDWAWXRXDUGZGR-UHFFFAOYSA-N 2 0 409.531 -1.164 20 0 HAADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@@H]1COC3(C[NH2+]C3)CN1)CC2 ZINC001159610860 1072188466 /nfs/dbraw/zinc/18/84/66/1072188466.db2.gz VMWXLHZSVUGXAS-INIZCTEOSA-N 2 0 408.547 -1.986 20 0 HAADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@H]1COC3(C[NH2+]C3)CN1)CC2 ZINC001159610861 1072188493 /nfs/dbraw/zinc/18/84/93/1072188493.db2.gz VMWXLHZSVUGXAS-MRXNPFEDSA-N 2 0 408.547 -1.986 20 0 HAADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@@H]([NH3+])CCCNC(N)=O)CC2 ZINC001159611198 1072189281 /nfs/dbraw/zinc/18/92/81/1072189281.db2.gz WMVIAOWTGPTDIE-HNNXBMFYSA-N 2 0 411.551 -1.541 20 0 HAADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@H]([NH3+])CCCNC(N)=O)CC2 ZINC001159611199 1072189183 /nfs/dbraw/zinc/18/91/83/1072189183.db2.gz WMVIAOWTGPTDIE-OAHLLOKOSA-N 2 0 411.551 -1.541 20 0 HAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCCn2c(=O)cc(Cn3ccnc3)nc2C1 ZINC001159633634 1072189353 /nfs/dbraw/zinc/18/93/53/1072189353.db2.gz PPYPRWWBDHQBDS-KRWDZBQOSA-N 2 0 414.514 -1.029 20 0 HAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCCn2c(=O)cc(Cn3ccnc3)nc2C1 ZINC001159633635 1072189421 /nfs/dbraw/zinc/18/94/21/1072189421.db2.gz PPYPRWWBDHQBDS-QGZVFWFLSA-N 2 0 414.514 -1.029 20 0 HAADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)CC[C@@H]2C1 ZINC001159636463 1072189964 /nfs/dbraw/zinc/18/99/64/1072189964.db2.gz SWROSGNLGRSWBO-ZJIFWQFVSA-N 2 0 413.519 -1.720 20 0 HAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCC2(CC1)CN(c1cncnc1)C(=O)CO2 ZINC001159666510 1072190697 /nfs/dbraw/zinc/19/06/97/1072190697.db2.gz QHXHVYCRKBPABS-KRWDZBQOSA-N 2 0 417.514 -1.049 20 0 HAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCC2(CC1)CN(c1cncnc1)C(=O)CO2 ZINC001159666511 1072190597 /nfs/dbraw/zinc/19/05/97/1072190597.db2.gz QHXHVYCRKBPABS-QGZVFWFLSA-N 2 0 417.514 -1.049 20 0 HAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159667039 1072190560 /nfs/dbraw/zinc/19/05/60/1072190560.db2.gz RUSGYGONJNCGHD-HJWJTTGWSA-N 2 0 418.498 -1.409 20 0 HAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159667045 1072190710 /nfs/dbraw/zinc/19/07/10/1072190710.db2.gz RUSGYGONJNCGHD-LLLHUVSDSA-N 2 0 418.498 -1.409 20 0 HAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159667047 1072190539 /nfs/dbraw/zinc/19/05/39/1072190539.db2.gz RUSGYGONJNCGHD-ORQFMDKSSA-N 2 0 418.498 -1.409 20 0 HAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159667049 1072190722 /nfs/dbraw/zinc/19/07/22/1072190722.db2.gz RUSGYGONJNCGHD-SVGFKBNWSA-N 2 0 418.498 -1.409 20 0 HAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H]2COC[C@]2(COCC(=O)N2CCCC2)C1 ZINC001159737088 1072191898 /nfs/dbraw/zinc/19/18/98/1072191898.db2.gz JLHWOOYQLGXINW-BLIXFSHQSA-N 2 0 423.558 -1.149 20 0 HAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H]2COC[C@]2(COCC(=O)N2CCCC2)C1 ZINC001159737091 1072191854 /nfs/dbraw/zinc/19/18/54/1072191854.db2.gz JLHWOOYQLGXINW-MMOPVJDHSA-N 2 0 423.558 -1.149 20 0 HAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H]2COC[C@@H](CC(=O)N3CCOCC3)[C@@H]2C1 ZINC001159768467 1072193132 /nfs/dbraw/zinc/19/31/32/1072193132.db2.gz UMAZRUXCLLBYHC-FPAYPSAMSA-N 2 0 423.558 -1.293 20 0 HAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H]2COC[C@@H](CC(=O)N3CCOCC3)[C@@H]2C1 ZINC001159768468 1072193137 /nfs/dbraw/zinc/19/31/37/1072193137.db2.gz UMAZRUXCLLBYHC-ZAWLATJESA-N 2 0 423.558 -1.293 20 0 HAADRP CC(=O)NCc1nnc2n1CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])C2 ZINC001159929662 1072194337 /nfs/dbraw/zinc/19/43/37/1072194337.db2.gz HZMNRGSYJZSGHW-GJZGRUSLSA-N 2 0 420.518 -1.296 20 0 HAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001159929989 1072194288 /nfs/dbraw/zinc/19/42/88/1072194288.db2.gz NOHQSCGJISTYGS-NXOAAHMSSA-N 2 0 408.547 -1.322 20 0 HAADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001159930931 1072194327 /nfs/dbraw/zinc/19/43/27/1072194327.db2.gz ZGDHZCRMSLRWAW-UONOGXRCSA-N 2 0 411.507 -3.470 20 0 HAADRP Cc1ccc(N(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001160060102 1072196162 /nfs/dbraw/zinc/19/61/62/1072196162.db2.gz UJARZPMFRVXNEB-QCUYGVNKSA-N 2 0 406.487 -1.147 20 0 HAADRP Cc1ccc(N(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001160060103 1072196659 /nfs/dbraw/zinc/19/66/59/1072196659.db2.gz UJARZPMFRVXNEB-XLPNERPQSA-N 2 0 406.487 -1.147 20 0 HAADRP Cc1ccc(N(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001160060104 1072196583 /nfs/dbraw/zinc/19/65/83/1072196583.db2.gz UJARZPMFRVXNEB-XMDUPGNXSA-N 2 0 406.487 -1.147 20 0 HAADRP Cc1ccc(N(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001160060105 1072196812 /nfs/dbraw/zinc/19/68/12/1072196812.db2.gz UJARZPMFRVXNEB-YGTYGHESSA-N 2 0 406.487 -1.147 20 0 HAADRP Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CN(C(=O)[C@@H]4C[NH2+]CC45C[NH2+]C5)CC[C@@H]32)cn1 ZINC001160076799 1072196782 /nfs/dbraw/zinc/19/67/82/1072196782.db2.gz CSGJKTFONPFWAY-LUKYLMHMSA-N 2 0 402.499 -1.178 20 0 HAADRP Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CN(C(=O)[C@H]4C[NH2+]CC45C[NH2+]C5)CC[C@@H]32)cn1 ZINC001160076800 1072196856 /nfs/dbraw/zinc/19/68/56/1072196856.db2.gz CSGJKTFONPFWAY-MWDXBVQZSA-N 2 0 402.499 -1.178 20 0 HAADRP Cn1cccc1C(=O)N[C@@H]1CN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)[C@@H]2COC[C@H]12 ZINC001160083829 1072197464 /nfs/dbraw/zinc/19/74/64/1072197464.db2.gz AZIZTPZUGLTQQD-KYHPRHEASA-N 2 0 404.515 -1.269 20 0 HAADRP Cn1cccc1C(=O)N[C@@H]1CN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)[C@@H]2COC[C@H]12 ZINC001160083830 1072197188 /nfs/dbraw/zinc/19/71/88/1072197188.db2.gz AZIZTPZUGLTQQD-YFHUEUNASA-N 2 0 404.515 -1.269 20 0 HAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCC2(C[C@@H](C(=O)N3CCOCC3)CO2)CC1 ZINC001160106124 1072200303 /nfs/dbraw/zinc/20/03/03/1072200303.db2.gz VVTIZZZYENPLAM-AEFFLSMTSA-N 2 0 423.558 -1.007 20 0 HAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCC2(C[C@H](C(=O)N3CCOCC3)CO2)CC1 ZINC001160106125 1072200331 /nfs/dbraw/zinc/20/03/31/1072200331.db2.gz VVTIZZZYENPLAM-FUHWJXTLSA-N 2 0 423.558 -1.007 20 0 HAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCC2(C[C@@H](C(=O)N3CCOCC3)CO2)CC1 ZINC001160106126 1072200420 /nfs/dbraw/zinc/20/04/20/1072200420.db2.gz VVTIZZZYENPLAM-SJLPKXTDSA-N 2 0 423.558 -1.007 20 0 HAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCC2(C[C@H](C(=O)N3CCOCC3)CO2)CC1 ZINC001160106127 1072200058 /nfs/dbraw/zinc/20/00/58/1072200058.db2.gz VVTIZZZYENPLAM-WMZOPIPTSA-N 2 0 423.558 -1.007 20 0 HAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001160138446 1072200860 /nfs/dbraw/zinc/20/08/60/1072200860.db2.gz LQAHXGOQJYPHBH-IBTNMTNLSA-N 2 0 418.498 -1.111 20 0 HAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001160155839 1072200726 /nfs/dbraw/zinc/20/07/26/1072200726.db2.gz MFIVMEIGRZSWFW-LLLHUVSDSA-N 2 0 407.515 -1.238 20 0 HAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001160156333 1072200935 /nfs/dbraw/zinc/20/09/35/1072200935.db2.gz PINZIUTUENNFRD-OKILXGFUSA-N 2 0 410.475 -3.385 20 0 HAADRP CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])C2 ZINC001160172502 1072201245 /nfs/dbraw/zinc/20/12/45/1072201245.db2.gz YIGIOMSTUWKBRV-FTRWYGJKSA-N 2 0 422.530 -1.617 20 0 HAADRP CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])C2 ZINC001160172508 1072201342 /nfs/dbraw/zinc/20/13/42/1072201342.db2.gz YIGIOMSTUWKBRV-TWOQFEAHSA-N 2 0 422.530 -1.617 20 0 HAADRP Cn1ccnc1C(=O)N[C@H]1CN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)[C@@H]2CCCO[C@@H]21 ZINC001160216243 1072202547 /nfs/dbraw/zinc/20/25/47/1072202547.db2.gz CJWLXKIVHPNRNR-MWDXBVQZSA-N 2 0 419.530 -1.341 20 0 HAADRP Cn1ccnc1C(=O)N[C@H]1CN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)[C@@H]2CCCO[C@@H]21 ZINC001160216244 1072202430 /nfs/dbraw/zinc/20/24/30/1072202430.db2.gz CJWLXKIVHPNRNR-YYIAUSFCSA-N 2 0 419.530 -1.341 20 0 HAADRP CN(C)C(=O)Cn1c(=O)ccc2c1CCN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)CC2 ZINC001160265980 1072203180 /nfs/dbraw/zinc/20/31/80/1072203180.db2.gz FHQHEVNQTWOKCF-KRWDZBQOSA-N 2 0 418.542 -1.386 20 0 HAADRP CN(C)C(=O)Cn1c(=O)ccc2c1CCN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)CC2 ZINC001160265981 1072203090 /nfs/dbraw/zinc/20/30/90/1072203090.db2.gz FHQHEVNQTWOKCF-QGZVFWFLSA-N 2 0 418.542 -1.386 20 0 HAADRP O=C(NC[C@@H]1Cn2ccnc2CN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1)c1ccnnc1 ZINC001160346131 1072204022 /nfs/dbraw/zinc/20/40/22/1072204022.db2.gz ZVNFUBJICOZQQS-GDBMZVCRSA-N 2 0 410.482 -1.130 20 0 HAADRP O=C(NC[C@H]1Cn2ccnc2CN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1)c1ccnnc1 ZINC001160346132 1072204039 /nfs/dbraw/zinc/20/40/39/1072204039.db2.gz ZVNFUBJICOZQQS-GOEBONIOSA-N 2 0 410.482 -1.130 20 0 HAADRP O=C(NC[C@H]1Cn2ccnc2CN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1)c1ccnnc1 ZINC001160346133 1072203933 /nfs/dbraw/zinc/20/39/33/1072203933.db2.gz ZVNFUBJICOZQQS-HOCLYGCPSA-N 2 0 410.482 -1.130 20 0 HAADRP O=C(NC[C@@H]1Cn2ccnc2CN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1)c1ccnnc1 ZINC001160346134 1072204062 /nfs/dbraw/zinc/20/40/62/1072204062.db2.gz ZVNFUBJICOZQQS-ZBFHGGJFSA-N 2 0 410.482 -1.130 20 0 HAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001160371204 1072204562 /nfs/dbraw/zinc/20/45/62/1072204562.db2.gz IAIBZIWLYUXNTG-KBPBESRZSA-N 2 0 423.518 -1.599 20 0 HAADRP C[NH+](C)CCOCc1ncn2c1CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)CCC2 ZINC001160373032 1072204644 /nfs/dbraw/zinc/20/46/44/1072204644.db2.gz WEQXONZTUCGMQH-UHFFFAOYSA-N 2 0 416.548 -1.086 20 0 HAADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)CN(CC[NH3+])S(C)(=O)=O)CC1 ZINC001160388367 1072205132 /nfs/dbraw/zinc/20/51/32/1072205132.db2.gz KZKKLUMTNKPFPM-UHFFFAOYSA-N 2 0 403.549 -1.248 20 0 HAADRP Cn1cc(C(=O)N[C@H]2CN(C(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)[C@@H]3CCCO[C@@H]32)cn1 ZINC001160400024 1072205601 /nfs/dbraw/zinc/20/56/01/1072205601.db2.gz ZFKVRRDEONADSM-WNRNVDISSA-N 2 0 419.530 -1.341 20 0 HAADRP Cn1cc(C(=O)N[C@H]2CN(C(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)[C@@H]3CCCO[C@@H]32)cn1 ZINC001160400025 1072205709 /nfs/dbraw/zinc/20/57/09/1072205709.db2.gz ZFKVRRDEONADSM-XMTFNYHQSA-N 2 0 419.530 -1.341 20 0 HAADRP Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)CC2 ZINC001160404721 1072205959 /nfs/dbraw/zinc/20/59/59/1072205959.db2.gz RDDSBMZQPCTPPK-HNNXBMFYSA-N 2 0 412.498 -1.260 20 0 HAADRP Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)CC2 ZINC001160404722 1072206120 /nfs/dbraw/zinc/20/61/20/1072206120.db2.gz RDDSBMZQPCTPPK-OAHLLOKOSA-N 2 0 412.498 -1.260 20 0 HAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N(Cc1ncn2c1C[NH2+]CCC2)c1ncccn1 ZINC001160404810 1072206128 /nfs/dbraw/zinc/20/61/28/1072206128.db2.gz BNQYXPUROKCOFD-UHFFFAOYSA-N 2 0 422.515 -1.080 20 0 HAADRP Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC2 ZINC001160405115 1072206632 /nfs/dbraw/zinc/20/66/32/1072206632.db2.gz FUXDRLMEWZGEPA-AWEZNQCLSA-N 2 0 420.543 -1.050 20 0 HAADRP CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C2 ZINC001160420202 1072207287 /nfs/dbraw/zinc/20/72/87/1072207287.db2.gz ZCVMMMWKZPTBJD-FXAWDEMLSA-N 2 0 411.547 -1.151 20 0 HAADRP CC(C)C(=O)N1CCO[C@]2(C1)COCCN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C2 ZINC001160420203 1072207223 /nfs/dbraw/zinc/20/72/23/1072207223.db2.gz ZCVMMMWKZPTBJD-PXNSSMCTSA-N 2 0 411.547 -1.151 20 0 HAADRP CC(C)C(=O)N1CCO[C@]2(C1)COCCN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C2 ZINC001160420204 1072207173 /nfs/dbraw/zinc/20/71/73/1072207173.db2.gz ZCVMMMWKZPTBJD-XLIONFOSSA-N 2 0 411.547 -1.151 20 0 HAADRP CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C2 ZINC001160420205 1072207272 /nfs/dbraw/zinc/20/72/72/1072207272.db2.gz ZCVMMMWKZPTBJD-YLJYHZDGSA-N 2 0 411.547 -1.151 20 0 HAADRP COc1cc(OC)nc(CN2CCN(C(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)CC2)n1 ZINC001160431932 1072207267 /nfs/dbraw/zinc/20/72/67/1072207267.db2.gz JAOKLNSIOQTMPL-HNNXBMFYSA-N 2 0 407.519 -1.112 20 0 HAADRP COc1cc(OC)nc(CN2CCN(C(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)CC2)n1 ZINC001160431933 1072207085 /nfs/dbraw/zinc/20/70/85/1072207085.db2.gz JAOKLNSIOQTMPL-OAHLLOKOSA-N 2 0 407.519 -1.112 20 0 HAADRP COCCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C1CC[NH+](C)CC1 ZINC001160439829 1072207874 /nfs/dbraw/zinc/20/78/74/1072207874.db2.gz NVXVBKIVIVRHSE-UHFFFAOYSA-N 2 0 400.480 -3.137 20 0 HAADRP CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001160441815 1072207771 /nfs/dbraw/zinc/20/77/71/1072207771.db2.gz YXHKKXITAYFERK-KKUMJFAQSA-N 2 0 411.503 -1.286 20 0 HAADRP CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001160441816 1072207824 /nfs/dbraw/zinc/20/78/24/1072207824.db2.gz YXHKKXITAYFERK-SOUVJXGZSA-N 2 0 411.503 -1.286 20 0 HAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCC([NH3+])CC1)C(=O)CF ZINC001160514562 1072209543 /nfs/dbraw/zinc/20/95/43/1072209543.db2.gz XVSBAAJIPDMNLN-RBOXIYTFSA-N 2 0 401.483 -1.162 20 0 HAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2)C(N)=O ZINC001160589083 1072209948 /nfs/dbraw/zinc/20/99/48/1072209948.db2.gz LSWULTVZMLMWAQ-GXTWGEPZSA-N 2 0 416.482 -1.060 20 0 HAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001160589458 1072210001 /nfs/dbraw/zinc/21/00/01/1072210001.db2.gz UPDXLTHCQBPMIK-AAEUAGOBSA-N 2 0 402.455 -1.450 20 0 HAADRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]([NH3+])C1CC[NH2+]CC1)C(=O)NCC(N)=O ZINC001160626829 1072210234 /nfs/dbraw/zinc/21/02/34/1072210234.db2.gz BNVVHOZXQWRWEX-YQQAZPJKSA-N 2 0 424.546 -1.563 20 0 HAADRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)C(=O)NCC(N)=O ZINC001160626834 1072210077 /nfs/dbraw/zinc/21/00/77/1072210077.db2.gz BNVVHOZXQWRWEX-ZOBUZTSGSA-N 2 0 424.546 -1.563 20 0 HAADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001160627663 1072210579 /nfs/dbraw/zinc/21/05/79/1072210579.db2.gz FXQOPPATLUDFIJ-UHFFFAOYSA-N 3 0 415.539 -2.974 20 0 HAADRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O ZINC001160627680 1072210709 /nfs/dbraw/zinc/21/07/09/1072210709.db2.gz FYFSYPAXHZNYOS-KKUMJFAQSA-N 2 0 412.535 -1.434 20 0 HAADRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)C(=O)NCC(N)=O ZINC001160628341 1072211032 /nfs/dbraw/zinc/21/10/32/1072211032.db2.gz HORKGDIBACDGNS-ILXRZTDVSA-N 2 0 422.530 -2.081 20 0 HAADRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)C(=O)NCC(N)=O ZINC001160628348 1072211175 /nfs/dbraw/zinc/21/11/75/1072211175.db2.gz HORKGDIBACDGNS-KKUMJFAQSA-N 2 0 422.530 -2.081 20 0 HAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCO[C@@H](C[NH3+])C1)C(=O)CF ZINC001160643184 1072211824 /nfs/dbraw/zinc/21/18/24/1072211824.db2.gz BPXZZWOWKULDFD-QCQGSNGOSA-N 2 0 417.482 -1.926 20 0 HAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001160644270 1072212368 /nfs/dbraw/zinc/21/23/68/1072212368.db2.gz BDTIQBXUPGBVIL-LNLFQRSKSA-N 2 0 419.526 -1.001 20 0 HAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1)C(=O)CF ZINC001160649776 1072212273 /nfs/dbraw/zinc/21/22/73/1072212273.db2.gz NGVFJYKAXIKMRA-DJUFWWRVSA-N 2 0 419.473 -1.214 20 0 HAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC[C@@H]([NH3+])[C@H](O)C1)C(=O)CF ZINC001160654864 1072212184 /nfs/dbraw/zinc/21/21/84/1072212184.db2.gz DESIETVLABKISR-FKTXBDBJSA-N 2 0 417.482 -2.192 20 0 HAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160656393 1072212755 /nfs/dbraw/zinc/21/27/55/1072212755.db2.gz XMYNBPUHTYUGCE-NTDBWNAOSA-N 2 0 419.526 -1.266 20 0 HAADRP CC1([NH+]2CCOCC2)CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC1 ZINC001160669407 1072213436 /nfs/dbraw/zinc/21/34/36/1072213436.db2.gz DCIJAOLYRGSDIK-UHFFFAOYSA-N 2 0 412.491 -2.993 20 0 HAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001160698864 1072213312 /nfs/dbraw/zinc/21/33/12/1072213312.db2.gz TYVHWFWADSFIRW-UHFFFAOYSA-N 2 0 416.482 -2.038 20 0 HAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160780690 1072215202 /nfs/dbraw/zinc/21/52/02/1072215202.db2.gz TVBBTYOBLUXXIQ-QRWLVFNGSA-N 2 0 416.482 -2.707 20 0 HAADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3Cn4nnnc4C34CC[NH2+]CC4)C[C@H]1C2 ZINC001160790265 1072215369 /nfs/dbraw/zinc/21/53/69/1072215369.db2.gz MMTCFIRXUYQANN-QLLGARHOSA-N 2 0 415.498 -1.219 20 0 HAADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H]3Cn4nnnc4C34CC[NH2+]CC4)C[C@H]1C2 ZINC001160790266 1072215234 /nfs/dbraw/zinc/21/52/34/1072215234.db2.gz MMTCFIRXUYQANN-UPYQZRRNSA-N 2 0 415.498 -1.219 20 0 HAADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)C[C@H]1C2 ZINC001160797066 1072215178 /nfs/dbraw/zinc/21/51/78/1072215178.db2.gz IHVVKCRGUKUMJI-ZOZWWXLDSA-N 2 0 409.487 -2.059 20 0 HAADRP CCOC(=O)[C@]12CN(C(=O)[C@@H]3Cn4nnnc4C34CC[NH2+]CC4)C[C@H]1C[NH2+]CC2 ZINC001160805544 1072215340 /nfs/dbraw/zinc/21/53/40/1072215340.db2.gz BLHAOHZOWZMWHY-BIENJYKASA-N 2 0 403.487 -1.075 20 0 HAADRP CCOC(=O)[C@]12CN(C(=O)[C@H]3Cn4nnnc4C34CC[NH2+]CC4)C[C@H]1C[NH2+]CC2 ZINC001160805545 1072215129 /nfs/dbraw/zinc/21/51/29/1072215129.db2.gz BLHAOHZOWZMWHY-PJIJBLCYSA-N 2 0 403.487 -1.075 20 0 HAADRP CCOC(=O)[C@]12CN(C(=O)[C@H](C)NC(=O)[C@@H]3CCCN3C(=O)C[NH3+])C[C@H]1C[NH2+]CC2 ZINC001160813829 1072215774 /nfs/dbraw/zinc/21/57/74/1072215774.db2.gz IFAUAQRNVFMISC-LDNFRZNASA-N 2 0 423.514 -1.558 20 0 HAADRP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915784 1072216655 /nfs/dbraw/zinc/21/66/55/1072216655.db2.gz MLARCBKIMJNYMZ-HOTGVXAUSA-N 2 0 400.439 -1.466 20 0 HAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC[NH2+][C@H](C)C1)C(=O)CF ZINC001161016927 1072217311 /nfs/dbraw/zinc/21/73/11/1072217311.db2.gz BDTNSDBCEAOHID-DVZHBHJUSA-N 2 0 401.483 -1.292 20 0 HAADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)C3(O)CC[NH2+]CC3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161118190 1072218542 /nfs/dbraw/zinc/21/85/42/1072218542.db2.gz AJDTUIYBVVJGNC-GJZGRUSLSA-N 2 0 415.485 -1.157 20 0 HAADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@@H]3C[NH2+]CC[C@@H]3O)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161118232 1072218461 /nfs/dbraw/zinc/21/84/61/1072218461.db2.gz CIYLQUSGZOOWKQ-FZKCQIBNSA-N 2 0 415.485 -1.301 20 0 HAADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@H]3C[NH2+]CC[C@@H]3O)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161118233 1072218492 /nfs/dbraw/zinc/21/84/92/1072218492.db2.gz CIYLQUSGZOOWKQ-VGWMRTNUSA-N 2 0 415.485 -1.301 20 0 HAADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@@H]3C[NH2+]CC[C@H]3O)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161118234 1072218569 /nfs/dbraw/zinc/21/85/69/1072218569.db2.gz CIYLQUSGZOOWKQ-XUWVNRHRSA-N 2 0 415.485 -1.301 20 0 HAADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@H]3C[NH2+]CC[C@H]3O)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161118235 1072218483 /nfs/dbraw/zinc/21/84/83/1072218483.db2.gz CIYLQUSGZOOWKQ-YHUYYLMFSA-N 2 0 415.485 -1.301 20 0 HAADRP O=C(CN1CC[NH2+]CC1)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161118251 1072218497 /nfs/dbraw/zinc/21/84/97/1072218497.db2.gz DFLRCBJNJFSNEF-HOTGVXAUSA-N 2 0 414.501 -1.366 20 0 HAADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161119202 1072218424 /nfs/dbraw/zinc/21/84/24/1072218424.db2.gz LVSUWHXJHBNMOJ-KKUMJFAQSA-N 3 0 402.490 -1.205 20 0 HAADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161119203 1072218506 /nfs/dbraw/zinc/21/85/06/1072218506.db2.gz LVSUWHXJHBNMOJ-ZNMIVQPWSA-N 3 0 402.490 -1.205 20 0 HAADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@@]34C[NH2+][C@@H](CO3)C4)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161119222 1072218571 /nfs/dbraw/zinc/21/85/71/1072218571.db2.gz MOXBYRFAQPFFAU-LDDOYCOJSA-N 2 0 413.469 -1.140 20 0 HAADRP CC(=O)OC[C@H]([NH3+])C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161119630 1072218377 /nfs/dbraw/zinc/21/83/77/1072218377.db2.gz REVYJQUCSCTTLL-KKUMJFAQSA-N 2 0 417.457 -1.381 20 0 HAADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161119636 1072218417 /nfs/dbraw/zinc/21/84/17/1072218417.db2.gz RGGUWVUBYZNEBO-AJNGGQMLSA-N 2 0 401.458 -1.549 20 0 HAADRP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161119637 1072218580 /nfs/dbraw/zinc/21/85/80/1072218580.db2.gz RGGUWVUBYZNEBO-LJISPDSOSA-N 2 0 401.458 -1.549 20 0 HAADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@@H]3C[NH2+]C[C@H](O)C3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161119897 1072218516 /nfs/dbraw/zinc/21/85/16/1072218516.db2.gz TUDZLVOKQWDPCU-JONQDZQNSA-N 2 0 415.485 -1.301 20 0 HAADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@H]3C[NH2+]C[C@H](O)C3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161119898 1072218447 /nfs/dbraw/zinc/21/84/47/1072218447.db2.gz TUDZLVOKQWDPCU-QXSJWSMHSA-N 2 0 415.485 -1.301 20 0 HAADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@H]3C[NH2+]C[C@@H](O)C3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161119899 1072218524 /nfs/dbraw/zinc/21/85/24/1072218524.db2.gz TUDZLVOKQWDPCU-UGUYLWEFSA-N 2 0 415.485 -1.301 20 0 HAADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@@H]3C[NH2+]C[C@@H](O)C3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161119900 1072219083 /nfs/dbraw/zinc/21/90/83/1072219083.db2.gz TUDZLVOKQWDPCU-VGWMRTNUSA-N 2 0 415.485 -1.301 20 0 HAADRP [NH3+]CC(=O)NCC(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161119920 1072219070 /nfs/dbraw/zinc/21/90/70/1072219070.db2.gz ULFCAZODJCQUSB-STQMWFEESA-N 2 0 402.446 -2.196 20 0 HAADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@@H]3C[NH2+]CCO3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161119947 1072219032 /nfs/dbraw/zinc/21/90/32/1072219032.db2.gz VJSLDGKFAJKJDL-KKUMJFAQSA-N 2 0 401.458 -1.283 20 0 HAADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@H]3C[NH2+]CCO3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161119948 1072219015 /nfs/dbraw/zinc/21/90/15/1072219015.db2.gz VJSLDGKFAJKJDL-SOUVJXGZSA-N 2 0 401.458 -1.283 20 0 HAADRP CN(CC(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1)C(N)=[NH2+] ZINC001161119993 1072218829 /nfs/dbraw/zinc/21/88/29/1072218829.db2.gz XGPBGFKGOQCDHU-STQMWFEESA-N 2 0 401.462 -1.446 20 0 HAADRP CC(C)(O)[C@H]([NH3+])C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161120119 1072218856 /nfs/dbraw/zinc/21/88/56/1072218856.db2.gz YJRGOCAKDSRMET-MELADBBJSA-N 2 0 403.474 -1.173 20 0 HAADRP [NH3+][C@H]1CN[C@H](C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)C1 ZINC001161122561 1072218914 /nfs/dbraw/zinc/21/89/14/1072218914.db2.gz ANUADGNKXBHOHN-QPSCCSFWSA-N 2 0 400.474 -1.582 20 0 HAADRP N[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 1072218875 /nfs/dbraw/zinc/21/88/75/1072218875.db2.gz BWRFZIUGHLBVSO-AJNGGQMLSA-N 2 0 400.474 -1.725 20 0 HAADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@H]3C[NH2+]CCC3=O)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161122619 1072219048 /nfs/dbraw/zinc/21/90/48/1072219048.db2.gz CRXZQXQAQBSRRS-KKUMJFAQSA-N 2 0 413.469 -1.093 20 0 HAADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@@H]3C[NH2+]CCC3=O)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161122620 1072218837 /nfs/dbraw/zinc/21/88/37/1072218837.db2.gz CRXZQXQAQBSRRS-ZNMIVQPWSA-N 2 0 413.469 -1.093 20 0 HAADRP NC1(C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)CC[NH2+]CC1 ZINC001161122652 1072219098 /nfs/dbraw/zinc/21/90/98/1072219098.db2.gz FDKWUACVQVTJNR-GJZGRUSLSA-N 2 0 414.501 -1.190 20 0 HAADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161122672 1072219089 /nfs/dbraw/zinc/21/90/89/1072219089.db2.gz FYBNDRDZYSAJED-HRCADAONSA-N 2 0 414.501 -1.368 20 0 HAADRP CN1CC[NH2+]C[C@H]1C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161122673 1072218982 /nfs/dbraw/zinc/21/89/82/1072218982.db2.gz FYBNDRDZYSAJED-JYJNAYRXSA-N 2 0 414.501 -1.368 20 0 HAADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@@H]3C[NH2+]CCN3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161122683 1072218960 /nfs/dbraw/zinc/21/89/60/1072218960.db2.gz GJVRTDCASASPFI-KKUMJFAQSA-N 2 0 400.474 -1.710 20 0 HAADRP C[NH2+][C@H](C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1)[C@@H](C)O ZINC001161122713 1072219001 /nfs/dbraw/zinc/21/90/01/1072219001.db2.gz HHIXELINKPPFEX-QPSCCSFWSA-N 2 0 403.474 -1.303 20 0 HAADRP O=C(C[N@H+]1CC[C@H](O)C1)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161122946 1072219582 /nfs/dbraw/zinc/21/95/82/1072219582.db2.gz MKBCFFMMTNPRKY-JYJNAYRXSA-N 2 0 415.485 -1.205 20 0 HAADRP O=C(C[N@H+]1CC[C@@H](O)C1)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161122947 1072219621 /nfs/dbraw/zinc/21/96/21/1072219621.db2.gz MKBCFFMMTNPRKY-XHSDSOJGSA-N 2 0 415.485 -1.205 20 0 HAADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@H]3C[NH2+]C[C@@H]3O)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161122995 1072219488 /nfs/dbraw/zinc/21/94/88/1072219488.db2.gz NRHOIUKXXYJYIZ-AJNGGQMLSA-N 2 0 401.458 -1.691 20 0 HAADRP O=C([C@@H]1C[NH2+]C[C@H]1O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161122996 1072219465 /nfs/dbraw/zinc/21/94/65/1072219465.db2.gz NRHOIUKXXYJYIZ-LJISPDSOSA-N 2 0 401.458 -1.691 20 0 HAADRP O=C([C@@H]1C[NH2+]C[C@@H]1O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161122997 1072219652 /nfs/dbraw/zinc/21/96/52/1072219652.db2.gz NRHOIUKXXYJYIZ-XGUBFFRZSA-N 2 0 401.458 -1.691 20 0 HAADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@H]3C[NH2+]C[C@H]3O)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161122998 1072219458 /nfs/dbraw/zinc/21/94/58/1072219458.db2.gz NRHOIUKXXYJYIZ-ZQDZILKHSA-N 2 0 401.458 -1.691 20 0 HAADRP N[C@@]1(C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)CCC[NH2+]C1 ZINC001161123560 1072219522 /nfs/dbraw/zinc/21/95/22/1072219522.db2.gz PWCQSUIUQHUJTP-MPGHIAIKSA-N 2 0 414.501 -1.190 20 0 HAADRP N[C@]1(C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)CCC[NH2+]C1 ZINC001161123563 1072219503 /nfs/dbraw/zinc/21/95/03/1072219503.db2.gz PWCQSUIUQHUJTP-RLFYNMQTSA-N 2 0 414.501 -1.190 20 0 HAADRP [NH3+][C@@H]1COC[C@@H]1C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161123668 1072219400 /nfs/dbraw/zinc/21/94/00/1072219400.db2.gz RKLIFYFHAKJQOD-XQLPTFJDSA-N 2 0 401.458 -1.298 20 0 HAADRP N[C@]1(C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)CC[NH2+]C1 ZINC001161124461 1072219528 /nfs/dbraw/zinc/21/95/28/1072219528.db2.gz WMLQOGVTKIRVTR-GRDNDAEWSA-N 2 0 400.474 -1.581 20 0 HAADRP N[C@@]1(C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)CC[NH2+]C1 ZINC001161124463 1072219495 /nfs/dbraw/zinc/21/94/95/1072219495.db2.gz WMLQOGVTKIRVTR-ZQIUZPCESA-N 2 0 400.474 -1.581 20 0 HAADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@H]3[NH2+]CC[C@@H]3O)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161124519 1072219409 /nfs/dbraw/zinc/21/94/09/1072219409.db2.gz XTHXVSYJZMEWAO-AJNGGQMLSA-N 2 0 401.458 -1.549 20 0 HAADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@H]3[NH2+]CC[C@H]3O)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161124520 1072219556 /nfs/dbraw/zinc/21/95/56/1072219556.db2.gz XTHXVSYJZMEWAO-XQLPTFJDSA-N 2 0 401.458 -1.549 20 0 HAADRP CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]([NH3+])CN3)CC2)c2nonc21 ZINC001161153272 1072220243 /nfs/dbraw/zinc/22/02/43/1072220243.db2.gz FUNMFUNIBWGWSL-NEPJUHHUSA-N 2 0 423.499 -1.189 20 0 HAADRP CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H]3C[C@H]([NH3+])CN3)CC2)c2nonc21 ZINC001161153273 1072220218 /nfs/dbraw/zinc/22/02/18/1072220218.db2.gz FUNMFUNIBWGWSL-RYUDHWBXSA-N 2 0 423.499 -1.189 20 0 HAADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC001161158808 1072220807 /nfs/dbraw/zinc/22/08/07/1072220807.db2.gz NNQIXSQHARCRIK-HOTGVXAUSA-N 2 0 410.471 -1.520 20 0 HAADRP CN(CC[N@H+](C)Cc1ccccc1)C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001161160790 1072220569 /nfs/dbraw/zinc/22/05/69/1072220569.db2.gz GMUNWXFNMNXDKU-UHFFFAOYSA-N 2 0 406.487 -2.116 20 0 HAADRP CC(C)(O)CC[NH+]1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC1 ZINC001161176529 1072125752 /nfs/dbraw/zinc/12/57/52/1072125752.db2.gz VNDCTUCFQUGODK-UHFFFAOYSA-N 2 0 400.480 -3.401 20 0 HAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196620 1072220859 /nfs/dbraw/zinc/22/08/59/1072220859.db2.gz PBVRGUQHMWSEOO-UHFFFAOYSA-N 2 0 419.592 -1.243 20 0 HAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21)C(=O)CF ZINC001161219829 1072220623 /nfs/dbraw/zinc/22/06/23/1072220623.db2.gz UHSCCWJZNCODQC-HRFNJZPTSA-N 2 0 413.494 -1.436 20 0 HAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC[C@](F)(C[NH3+])C1)C(=O)CF ZINC001161245074 1072221421 /nfs/dbraw/zinc/22/14/21/1072221421.db2.gz CBLSJVVZRKSFHB-LLXPTAGJSA-N 2 0 419.473 -1.213 20 0 HAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC[C@@](F)(C[NH3+])C1)C(=O)CF ZINC001161245075 1072221305 /nfs/dbraw/zinc/22/13/05/1072221305.db2.gz CBLSJVVZRKSFHB-NZRMSGFPSA-N 2 0 419.473 -1.213 20 0 HAADRP COC(=O)[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])CCN1C(C)=O ZINC001161297718 1072222457 /nfs/dbraw/zinc/22/24/57/1072222457.db2.gz ZXFGJLNHWUDDAM-HRCADAONSA-N 2 0 411.503 -1.334 20 0 HAADRP COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])CCN1C(C)=O ZINC001161297719 1072222431 /nfs/dbraw/zinc/22/24/31/1072222431.db2.gz ZXFGJLNHWUDDAM-JYJNAYRXSA-N 2 0 411.503 -1.334 20 0 HAADRP Cc1cccc(N(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C2CC[NH2+]CC2)n1 ZINC001161303388 1072222307 /nfs/dbraw/zinc/22/23/07/1072222307.db2.gz XKLLDXRUCWELPO-UHFFFAOYSA-N 2 0 419.486 -2.218 20 0 HAADRP Cc1c[nH+]ccc1N1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC1 ZINC001161306177 1072222408 /nfs/dbraw/zinc/22/24/08/1072222408.db2.gz FKHNAEWHNGIVRX-UHFFFAOYSA-N 2 0 405.459 -2.654 20 0 HAADRP COc1cc(C)nc(N(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)C2CC[NH2+]CC2)n1 ZINC001161309266 1072222324 /nfs/dbraw/zinc/22/23/24/1072222324.db2.gz NVOXVDCUTLSBAT-GXTWGEPZSA-N 2 0 421.502 -1.024 20 0 HAADRP COc1cc(C)nc(N(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C2CC[NH2+]CC2)n1 ZINC001161309488 1072222836 /nfs/dbraw/zinc/22/28/36/1072222836.db2.gz QTRZBOWOEJFLSM-AAEUAGOBSA-N 2 0 407.475 -1.414 20 0 HAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N(c1ccncc1F)C1CC[NH2+]CC1 ZINC001161388051 1072222825 /nfs/dbraw/zinc/22/28/25/1072222825.db2.gz WDLVLYIZLHHMRP-UHFFFAOYSA-N 2 0 423.449 -2.387 20 0 HAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001161424217 1072223747 /nfs/dbraw/zinc/22/37/47/1072223747.db2.gz CGFVVCLYNAHEDS-UHFFFAOYSA-N 2 0 418.498 -1.926 20 0 HAADRP C[NH+](C)CCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)[C@@H]1CCC[NH2+]C1 ZINC001161449510 1072223556 /nfs/dbraw/zinc/22/35/56/1072223556.db2.gz NGMJLOVRUNGKQF-NEWSRXKRSA-N 3 0 421.542 -1.119 20 0 HAADRP C[NH+](C)CCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)[C@H]1CCC[NH2+]C1 ZINC001161449511 1072223762 /nfs/dbraw/zinc/22/37/62/1072223762.db2.gz NGMJLOVRUNGKQF-WDSOQIARSA-N 3 0 421.542 -1.119 20 0 HAADRP C[NH+]1CCC(N(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C2CCCC2)CC1 ZINC001161453568 1072223512 /nfs/dbraw/zinc/22/35/12/1072223512.db2.gz JEFLVLFYAFONMB-UHFFFAOYSA-N 2 0 410.519 -1.841 20 0 HAADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC2 ZINC001161480477 1072223431 /nfs/dbraw/zinc/22/34/31/1072223431.db2.gz UIASPWUPBSAKTR-APPDUMDISA-N 2 0 412.447 -3.953 20 0 HAADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC2 ZINC001161480479 1072223550 /nfs/dbraw/zinc/22/35/50/1072223550.db2.gz UIASPWUPBSAKTR-DIFFPNOSSA-N 2 0 412.447 -3.953 20 0 HAADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC2 ZINC001161480481 1072223498 /nfs/dbraw/zinc/22/34/98/1072223498.db2.gz UIASPWUPBSAKTR-GTNSWQLSSA-N 2 0 412.447 -3.953 20 0 HAADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC2 ZINC001161480482 1072224182 /nfs/dbraw/zinc/22/41/82/1072224182.db2.gz UIASPWUPBSAKTR-PIGZYNQJSA-N 2 0 412.447 -3.953 20 0 HAADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])CC2 ZINC001161483280 1072223979 /nfs/dbraw/zinc/22/39/79/1072223979.db2.gz YYHATGMXEIZTPI-MNUAXYBXSA-N 2 0 409.487 -1.806 20 0 HAADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])CC2 ZINC001161483282 1072224164 /nfs/dbraw/zinc/22/41/64/1072224164.db2.gz YYHATGMXEIZTPI-PJHJGJPPSA-N 2 0 409.487 -1.806 20 0 HAADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])CC2 ZINC001161483284 1072224018 /nfs/dbraw/zinc/22/40/18/1072224018.db2.gz YYHATGMXEIZTPI-WFTHSTBKSA-N 2 0 409.487 -1.806 20 0 HAADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])CC2 ZINC001161483286 1072224088 /nfs/dbraw/zinc/22/40/88/1072224088.db2.gz YYHATGMXEIZTPI-WZFJYNIESA-N 2 0 409.487 -1.806 20 0 HAADRP CO[C@@H]1CN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)C[C@@H]1[NH3+] ZINC001161493329 1072224759 /nfs/dbraw/zinc/22/47/59/1072224759.db2.gz LLKURZVKFCISKO-IIPRWVHMSA-N 2 0 417.482 -1.928 20 0 HAADRP CO[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)C[C@@H]1[NH3+] ZINC001161494267 1072224599 /nfs/dbraw/zinc/22/45/99/1072224599.db2.gz YORMASFWRLFYDC-BMFAXAFESA-N 2 0 419.526 -1.002 20 0 HAADRP CC(=O)N1CC2(C1)CN(C(=O)[C@H]1C[N@H+](C)CC3(CC[NH2+]CC3)O1)C[C@H]2C(=O)N(C)C ZINC001161508382 1072225186 /nfs/dbraw/zinc/22/51/86/1072225186.db2.gz ZELJQFATXOULIT-DLBZAZTESA-N 2 0 421.542 -1.166 20 0 HAADRP CC(=O)N1CC2(C1)CN(C(=O)[C@H]1C[N@H+](C)CC3(CC[NH2+]CC3)O1)C[C@@H]2C(=O)N(C)C ZINC001161508389 1072225265 /nfs/dbraw/zinc/22/52/65/1072225265.db2.gz ZELJQFATXOULIT-IAGOWNOFSA-N 2 0 421.542 -1.166 20 0 HAADRP CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1C[N@H+](C)CC3(CC[NH2+]CC3)O1)C[C@H]2C(=O)N(C)C ZINC001161508391 1072225094 /nfs/dbraw/zinc/22/50/94/1072225094.db2.gz ZELJQFATXOULIT-IRXDYDNUSA-N 2 0 421.542 -1.166 20 0 HAADRP CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1C[N@H+](C)CC3(CC[NH2+]CC3)O1)C[C@@H]2C(=O)N(C)C ZINC001161508393 1072224992 /nfs/dbraw/zinc/22/49/92/1072224992.db2.gz ZELJQFATXOULIT-SJORKVTESA-N 2 0 421.542 -1.166 20 0 HAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1C[C@@H]([NH3+])C[C@H]1C)C(=O)CF ZINC001161529865 1072225863 /nfs/dbraw/zinc/22/58/63/1072225863.db2.gz LGIPWZNCUPPCSS-UWHVMBRKSA-N 2 0 401.483 -1.164 20 0 HAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC[NH2+]C2(CC2)C1)C(=O)CF ZINC001161548290 1072225723 /nfs/dbraw/zinc/22/57/23/1072225723.db2.gz QHNXDWYBYNGVIA-XEZPLFJOSA-N 2 0 413.494 -1.148 20 0 HAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001161595288 1072225901 /nfs/dbraw/zinc/22/59/01/1072225901.db2.gz MPCWFNVOAPYHKJ-UHFFFAOYSA-N 2 0 416.482 -2.085 20 0 HAADRP NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1cncn1-c1ccc(N2CC[NH2+]CC2)nn1 ZINC001162842930 1072235616 /nfs/dbraw/zinc/23/56/16/1072235616.db2.gz ZYONVMFYXONRPO-GJZGRUSLSA-N 2 0 413.486 -1.582 20 0 HAADRP NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1cncn1-c1cncc(N2CC[NH2+]CC2)n1 ZINC001162843880 1072235544 /nfs/dbraw/zinc/23/55/44/1072235544.db2.gz AOBZMYSMHVFGGE-GJZGRUSLSA-N 2 0 413.486 -1.582 20 0 HAADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2ccncn2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438485 1072236078 /nfs/dbraw/zinc/23/60/78/1072236078.db2.gz CLARABIYNUZTFD-KBPBESRZSA-N 2 0 417.474 -2.253 20 0 HAADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2ncccn2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438560 1072236141 /nfs/dbraw/zinc/23/61/41/1072236141.db2.gz FMHPRLVCGXHSEJ-KBPBESRZSA-N 2 0 417.474 -2.253 20 0 HAADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2cnccn2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163439653 1072236093 /nfs/dbraw/zinc/23/60/93/1072236093.db2.gz QRZSKCPSTMYSLR-KBPBESRZSA-N 2 0 417.474 -2.253 20 0 HAADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2cccnn2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163439830 1072236067 /nfs/dbraw/zinc/23/60/67/1072236067.db2.gz WPWYZPAJFVUMJI-KBPBESRZSA-N 2 0 417.474 -2.253 20 0 HAADRP NC(=O)CNC(=O)[C@H](Cc1cn([C@H]2C[C@H]3C[C@H]3C2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001167924636 1070960072 /nfs/dbraw/zinc/96/00/72/1070960072.db2.gz SBUOCZYQOCMGMH-DRBLLZIRSA-N 2 0 419.530 -1.061 20 0 HAADRP NC(=O)CNC(=O)[C@H](Cc1cn([C@@H]2C[C@H]3C[C@H]3C2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001167924637 1070959989 /nfs/dbraw/zinc/95/99/89/1070959989.db2.gz SBUOCZYQOCMGMH-KUHBDSFDSA-N 2 0 419.530 -1.061 20 0 HAADRP C[NH+](C)C1CCC(n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)CC1 ZINC001168297922 1071230587 /nfs/dbraw/zinc/23/05/87/1071230587.db2.gz OLNVBMNKMIHWNZ-RJMKEYFUSA-N 2 0 407.475 -1.202 20 0 HAADRP Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C1CC[NH+](CC2CC2)CC1 ZINC001168356397 1071252099 /nfs/dbraw/zinc/25/20/99/1071252099.db2.gz QVZKTMHUUWXXDW-HOPMXRPOSA-N 2 0 419.486 -1.200 20 0 HAADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](n1c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc1N)C2 ZINC001169098407 1071677439 /nfs/dbraw/zinc/67/74/39/1071677439.db2.gz HPEZEORMUKKNGT-FDXWHZBHSA-N 2 0 405.459 -1.449 20 0 HAADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](n1c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc1N)C2 ZINC001169098408 1071677421 /nfs/dbraw/zinc/67/74/21/1071677421.db2.gz HPEZEORMUKKNGT-IFVSATFSSA-N 2 0 405.459 -1.449 20 0 HAADRP Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)C12CC[NH+](CC1)CC2 ZINC001181553205 1071808655 /nfs/dbraw/zinc/80/86/55/1071808655.db2.gz WKKPRGZOTBPHKE-NDLNZWKESA-N 2 0 419.442 -2.121 20 0 HAADRP CC(C)[N@@H+]1CC[C@@H](C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)C1 ZINC001181981292 1071810681 /nfs/dbraw/zinc/81/06/81/1071810681.db2.gz BIOGLEDNMFYGLS-JISVWNMTSA-N 2 0 421.458 -1.876 20 0 HAADRP CC(C)[N@@H+]1CC[C@H](C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)C1 ZINC001181981306 1071810624 /nfs/dbraw/zinc/81/06/24/1071810624.db2.gz BIOGLEDNMFYGLS-ZOKLZRJQSA-N 2 0 421.458 -1.876 20 0 HAADRP C[NH+]1CCC(C)(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)CC1 ZINC001181990045 1071810452 /nfs/dbraw/zinc/81/04/52/1071810452.db2.gz JAPBLXLFLGMMEA-NDLNZWKESA-N 2 0 421.458 -1.875 20 0 HAADRP Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001182018337 1071810830 /nfs/dbraw/zinc/81/08/30/1071810830.db2.gz VNTMEPKVRCJRED-JISVWNMTSA-N 2 0 419.442 -2.265 20 0 HAADRP Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001182018338 1071810579 /nfs/dbraw/zinc/81/05/79/1071810579.db2.gz VNTMEPKVRCJRED-ZOKLZRJQSA-N 2 0 419.442 -2.265 20 0 HAADRP C[NH+](C)[C@H]1C[C@@H](C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)C1 ZINC001183374849 1071820188 /nfs/dbraw/zinc/82/01/88/1071820188.db2.gz ZGUXDKWCLLSHJK-YVBJDADISA-N 2 0 407.431 -2.267 20 0 HAADRP C[NH+](C)CCCCC(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001184060583 1071827015 /nfs/dbraw/zinc/82/70/15/1071827015.db2.gz FETLTFIFQJBIOR-NZLORHDLSA-N 2 0 409.447 -1.875 20 0 HAADRP C[N@@H+]1CCC[C@H](C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)C1 ZINC001186362989 1071837153 /nfs/dbraw/zinc/83/71/53/1071837153.db2.gz YXHNOFBJFURZGY-GBPQWNHNSA-N 2 0 407.431 -2.265 20 0 HAADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O ZINC001186638870 1071849043 /nfs/dbraw/zinc/84/90/43/1071849043.db2.gz HYKOMRVWPRKIRY-AVGNSLFASA-N 2 0 413.523 -1.416 20 0 HAADRP CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001186669035 1071845889 /nfs/dbraw/zinc/84/58/89/1071845889.db2.gz CJEIBPOAJYEAAE-GJZGRUSLSA-N 2 0 423.518 -1.435 20 0 HAADRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](C[C@@H]3OC(C)(C)O[C@@H]3[C@H](O)CO)CC[C@@H]2C1 ZINC001209271674 1072239159 /nfs/dbraw/zinc/23/91/59/1072239159.db2.gz CCLGVEPETWGROJ-ZQOJQMTGSA-N 2 0 415.531 -1.029 20 0 HAADRP C[NH+]1CCN(c2ccc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])nc2)CC1 ZINC001218515161 1072243947 /nfs/dbraw/zinc/24/39/47/1072243947.db2.gz BWRSVTNBAIPQJN-UHFFFAOYSA-N 2 0 420.474 -2.921 20 0 HAADRP Nc1cn(C(=O)[C@H]2CCS(=O)(=O)C23C[NH2+]C3)ccc1=[NH+]CCN1CCOCC1 ZINC001218621593 1072246662 /nfs/dbraw/zinc/24/66/62/1072246662.db2.gz XGEDMADEILDKAU-CQSZACIVSA-N 2 0 409.512 -1.280 20 0 HAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)n1ccc(=[NH+]CCN2CCOCC2)c(N)c1 ZINC001218621890 1072246627 /nfs/dbraw/zinc/24/66/27/1072246627.db2.gz XPQSNNJROFYFLH-WFASDCNBSA-N 2 0 407.475 -2.349 20 0 HAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)n1ccc(=[NH+]CCN2CCOCC2)c(N)c1 ZINC001218621927 1072246614 /nfs/dbraw/zinc/24/66/14/1072246614.db2.gz YAEKKEXPGODKDS-UHFFFAOYSA-N 2 0 400.505 -1.836 20 0 HAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccnc2c(N(CCO)CCO)cnn21 ZINC001218770551 1072248540 /nfs/dbraw/zinc/24/85/40/1072248540.db2.gz IWLQGGSCKSRSEP-AWEZNQCLSA-N 2 0 406.491 -1.791 20 0 HAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccnc2c(N(CCO)CCO)cnn21 ZINC001218770555 1072248441 /nfs/dbraw/zinc/24/84/41/1072248441.db2.gz IWLQGGSCKSRSEP-CQSZACIVSA-N 2 0 406.491 -1.791 20 0 HAADRP Nc1ncn(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218775179 1072249052 /nfs/dbraw/zinc/24/90/52/1072249052.db2.gz AGRLBCVRBQJGGE-GRYCIOLGSA-N 2 0 411.894 -2.040 20 0 HAADRP Nc1ncn(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218775183 1072249128 /nfs/dbraw/zinc/24/91/28/1072249128.db2.gz AGRLBCVRBQJGGE-SDDRHHMPSA-N 2 0 411.894 -2.040 20 0 HAADRP Nc1ncn(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218775186 1072249094 /nfs/dbraw/zinc/24/90/94/1072249094.db2.gz AGRLBCVRBQJGGE-SRVKXCTJSA-N 2 0 411.894 -2.040 20 0 HAADRP Nc1ncn(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218775188 1072249604 /nfs/dbraw/zinc/24/96/04/1072249604.db2.gz AGRLBCVRBQJGGE-WOPDTQHZSA-N 2 0 411.894 -2.040 20 0 HAADRP COC(=O)CC[C@H]([NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218775263 1072249558 /nfs/dbraw/zinc/24/95/58/1072249558.db2.gz AWQBEHVWOLDFME-DCAQKATOSA-N 2 0 400.867 -1.090 20 0 HAADRP COC(=O)CC[C@H]([NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218775264 1072249712 /nfs/dbraw/zinc/24/97/12/1072249712.db2.gz AWQBEHVWOLDFME-GARJFASQSA-N 2 0 400.867 -1.090 20 0 HAADRP COC(=O)CC[C@H]([NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218775265 1072249727 /nfs/dbraw/zinc/24/97/27/1072249727.db2.gz AWQBEHVWOLDFME-OUAUKWLOSA-N 2 0 400.867 -1.090 20 0 HAADRP COC(=O)CC[C@H]([NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218775266 1072249660 /nfs/dbraw/zinc/24/96/60/1072249660.db2.gz AWQBEHVWOLDFME-VWYCJHECSA-N 2 0 400.867 -1.090 20 0 HAADRP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218776812 1072249696 /nfs/dbraw/zinc/24/96/96/1072249696.db2.gz CJJUNLOFIFKEQA-MROQNXINSA-N 2 0 412.878 -1.219 20 0 HAADRP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218776837 1072249626 /nfs/dbraw/zinc/24/96/26/1072249626.db2.gz CJJUNLOFIFKEQA-WUHRBBMRSA-N 2 0 412.878 -1.219 20 0 HAADRP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218776838 1072249704 /nfs/dbraw/zinc/24/97/04/1072249704.db2.gz CJJUNLOFIFKEQA-YVECIDJPSA-N 2 0 412.878 -1.219 20 0 HAADRP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218776839 1072249636 /nfs/dbraw/zinc/24/96/36/1072249636.db2.gz CJJUNLOFIFKEQA-ZDEQEGDKSA-N 2 0 412.878 -1.219 20 0 HAADRP Nc1ncn(C(=O)[C@@H]([NH3+])CSCC[NH3+])c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218777174 1072249539 /nfs/dbraw/zinc/24/95/39/1072249539.db2.gz DVCVPTDYHAUHCQ-DCAQKATOSA-N 3 0 403.940 -1.351 20 0 HAADRP Nc1ncn(C(=O)[C@@H]([NH3+])CSCC[NH3+])c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218777179 1072249583 /nfs/dbraw/zinc/24/95/83/1072249583.db2.gz DVCVPTDYHAUHCQ-GARJFASQSA-N 3 0 403.940 -1.351 20 0 HAADRP Nc1ncn(C(=O)[C@@H]([NH3+])CSCC[NH3+])c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218777181 1072249595 /nfs/dbraw/zinc/24/95/95/1072249595.db2.gz DVCVPTDYHAUHCQ-OUAUKWLOSA-N 3 0 403.940 -1.351 20 0 HAADRP Nc1ncn(C(=O)[C@@H]([NH3+])CSCC[NH3+])c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218777182 1072250083 /nfs/dbraw/zinc/25/00/83/1072250083.db2.gz DVCVPTDYHAUHCQ-VWYCJHECSA-N 3 0 403.940 -1.351 20 0 HAADRP CCOC(=O)C1(C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@H]2O)C[NH2+]C1 ZINC001218777272 1072250302 /nfs/dbraw/zinc/25/03/02/1072250302.db2.gz ONTKDNDWTXGQFY-GHMZBOCLSA-N 2 0 412.878 -1.217 20 0 HAADRP CCOC(=O)C1(C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@@H]2O)C[NH2+]C1 ZINC001218777274 1072250132 /nfs/dbraw/zinc/25/01/32/1072250132.db2.gz ONTKDNDWTXGQFY-MNOVXSKESA-N 2 0 412.878 -1.217 20 0 HAADRP CCOC(=O)C1(C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@@H]2O)C[NH2+]C1 ZINC001218777276 1072250264 /nfs/dbraw/zinc/25/02/64/1072250264.db2.gz ONTKDNDWTXGQFY-QWRGUYRKSA-N 2 0 412.878 -1.217 20 0 HAADRP CCOC(=O)C1(C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@H]2O)C[NH2+]C1 ZINC001218777278 1072250149 /nfs/dbraw/zinc/25/01/49/1072250149.db2.gz ONTKDNDWTXGQFY-WDEREUQCSA-N 2 0 412.878 -1.217 20 0 HAADRP Nc1ncn(C(=O)COCCOCC[NH3+])c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218777668 1072250202 /nfs/dbraw/zinc/25/02/02/1072250202.db2.gz QMCACCNZEWBBKP-NEPJUHHUSA-N 2 0 402.883 -1.378 20 0 HAADRP Nc1ncn(C(=O)COCCOCC[NH3+])c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218777673 1072250066 /nfs/dbraw/zinc/25/00/66/1072250066.db2.gz QMCACCNZEWBBKP-NWDGAFQWSA-N 2 0 402.883 -1.378 20 0 HAADRP Nc1ncn(C(=O)COCCOCC[NH3+])c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218777676 1072250215 /nfs/dbraw/zinc/25/02/15/1072250215.db2.gz QMCACCNZEWBBKP-RYUDHWBXSA-N 2 0 402.883 -1.378 20 0 HAADRP Nc1ncn(C(=O)COCCOCC[NH3+])c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218777679 1072250282 /nfs/dbraw/zinc/25/02/82/1072250282.db2.gz QMCACCNZEWBBKP-VXGBXAGGSA-N 2 0 402.883 -1.378 20 0 HAADRP Nc1ncn(C(=O)[C@@H]2CCCN2C(=O)C[NH3+])c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218777880 1072250322 /nfs/dbraw/zinc/25/03/22/1072250322.db2.gz GJEPGCVBSCNULE-GRYCIOLGSA-N 2 0 411.894 -1.420 20 0 HAADRP Nc1ncn(C(=O)[C@@H]2CCCN2C(=O)C[NH3+])c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218777887 1072250246 /nfs/dbraw/zinc/25/02/46/1072250246.db2.gz GJEPGCVBSCNULE-SDDRHHMPSA-N 2 0 411.894 -1.420 20 0 HAADRP Nc1ncn(C(=O)[C@@H]2CCCN2C(=O)C[NH3+])c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218777889 1072250112 /nfs/dbraw/zinc/25/01/12/1072250112.db2.gz GJEPGCVBSCNULE-SRVKXCTJSA-N 2 0 411.894 -1.420 20 0 HAADRP Nc1ncn(C(=O)[C@@H]2CCCN2C(=O)C[NH3+])c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218777892 1072250231 /nfs/dbraw/zinc/25/02/31/1072250231.db2.gz GJEPGCVBSCNULE-WOPDTQHZSA-N 2 0 411.894 -1.420 20 0 HAADRP C[S@](=O)CC[C@H]([NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218778588 1072250166 /nfs/dbraw/zinc/25/01/66/1072250166.db2.gz SYQVSYBVHXCRMI-AYSIDJPXSA-N 2 0 404.924 -1.274 20 0 HAADRP C[S@](=O)CC[C@H]([NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218778589 1072250096 /nfs/dbraw/zinc/25/00/96/1072250096.db2.gz SYQVSYBVHXCRMI-BHWIMEGBSA-N 2 0 404.924 -1.274 20 0 HAADRP C[S@](=O)CC[C@H]([NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218778590 1072250048 /nfs/dbraw/zinc/25/00/48/1072250048.db2.gz SYQVSYBVHXCRMI-OKGXHRQLSA-N 2 0 404.924 -1.274 20 0 HAADRP C[S@](=O)CC[C@H]([NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218778591 1072250628 /nfs/dbraw/zinc/25/06/28/1072250628.db2.gz SYQVSYBVHXCRMI-VHJALRHZSA-N 2 0 404.924 -1.274 20 0 HAADRP Cn1cncc1C[C@H]([NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218779532 1072250758 /nfs/dbraw/zinc/25/07/58/1072250758.db2.gz NOZRUFRMYJHNRM-DRZSPHRISA-N 2 0 408.894 -1.067 20 0 HAADRP Cn1cncc1C[C@H]([NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218779547 1072250666 /nfs/dbraw/zinc/25/06/66/1072250666.db2.gz NOZRUFRMYJHNRM-KGYLQXTDSA-N 2 0 408.894 -1.067 20 0 HAADRP Cn1cncc1C[C@H]([NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218779550 1072250643 /nfs/dbraw/zinc/25/06/43/1072250643.db2.gz NOZRUFRMYJHNRM-WCFLWFBJSA-N 2 0 408.894 -1.067 20 0 HAADRP Cn1cncc1C[C@H]([NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218779553 1072250686 /nfs/dbraw/zinc/25/06/86/1072250686.db2.gz NOZRUFRMYJHNRM-WXHSDQCUSA-N 2 0 408.894 -1.067 20 0 HAADRP Nc1ncn(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218779752 1072250823 /nfs/dbraw/zinc/25/08/23/1072250823.db2.gz LTWGVTRJPOSUSE-GRYCIOLGSA-N 2 0 411.894 -1.502 20 0 HAADRP Nc1ncn(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218779756 1072250797 /nfs/dbraw/zinc/25/07/97/1072250797.db2.gz LTWGVTRJPOSUSE-SDDRHHMPSA-N 2 0 411.894 -1.502 20 0 HAADRP Nc1ncn(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218779759 1072250837 /nfs/dbraw/zinc/25/08/37/1072250837.db2.gz LTWGVTRJPOSUSE-SRVKXCTJSA-N 2 0 411.894 -1.502 20 0 HAADRP Nc1ncn(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218779761 1072251373 /nfs/dbraw/zinc/25/13/73/1072251373.db2.gz LTWGVTRJPOSUSE-WOPDTQHZSA-N 2 0 411.894 -1.502 20 0 HAADRP Nc1ncn(C(=O)[C@@H]2NC(=O)CC23C[NH2+]C3)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218780347 1072251302 /nfs/dbraw/zinc/25/13/02/1072251302.db2.gz PDMZXVBPVQROCO-BREBYQMCSA-N 2 0 409.878 -1.892 20 0 HAADRP Nc1ncn(C(=O)[C@@H]2NC(=O)CC23C[NH2+]C3)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218780349 1072251267 /nfs/dbraw/zinc/25/12/67/1072251267.db2.gz PDMZXVBPVQROCO-CWSCBRNRSA-N 2 0 409.878 -1.892 20 0 HAADRP Nc1ncn(C(=O)[C@@H]2NC(=O)CC23C[NH2+]C3)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218780351 1072251344 /nfs/dbraw/zinc/25/13/44/1072251344.db2.gz PDMZXVBPVQROCO-KWBADKCTSA-N 2 0 409.878 -1.892 20 0 HAADRP Nc1ncn(C(=O)[C@@H]2NC(=O)CC23C[NH2+]C3)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218780353 1072251217 /nfs/dbraw/zinc/25/12/17/1072251217.db2.gz PDMZXVBPVQROCO-NRUUGDAUSA-N 2 0 409.878 -1.892 20 0 HAADRP Nc1ncn(C(=O)c2ncn3c2C[NH2+]CC3)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218781064 1072251309 /nfs/dbraw/zinc/25/13/09/1072251309.db2.gz GRIUUJHVNGHMAR-CMPLNLGQSA-N 2 0 406.878 -1.022 20 0 HAADRP Nc1ncn(C(=O)c2ncn3c2C[NH2+]CC3)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218781069 1072251187 /nfs/dbraw/zinc/25/11/87/1072251187.db2.gz GRIUUJHVNGHMAR-JQWIXIFHSA-N 2 0 406.878 -1.022 20 0 HAADRP Nc1ncn(C(=O)c2ncn3c2C[NH2+]CC3)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218781071 1072251284 /nfs/dbraw/zinc/25/12/84/1072251284.db2.gz GRIUUJHVNGHMAR-PWSUYJOCSA-N 2 0 406.878 -1.022 20 0 HAADRP Nc1ncn(C(=O)c2ncn3c2C[NH2+]CC3)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218781072 1072251939 /nfs/dbraw/zinc/25/19/39/1072251939.db2.gz GRIUUJHVNGHMAR-ZYHUDNBSSA-N 2 0 406.878 -1.022 20 0 HAADRP Nc1ncn(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218782710 1072251785 /nfs/dbraw/zinc/25/17/85/1072251785.db2.gz VOGBLDUAQNAOIK-CVXDAYKESA-N 3 0 409.922 -1.171 20 0 HAADRP Nc1ncn(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218782740 1072251988 /nfs/dbraw/zinc/25/19/88/1072251988.db2.gz VOGBLDUAQNAOIK-JJFYZRJRSA-N 3 0 409.922 -1.171 20 0 HAADRP Nc1ncn(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218782742 1072251950 /nfs/dbraw/zinc/25/19/50/1072251950.db2.gz VOGBLDUAQNAOIK-NVAPZFDKSA-N 3 0 409.922 -1.171 20 0 HAADRP Nc1ncn(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218782745 1072251977 /nfs/dbraw/zinc/25/19/77/1072251977.db2.gz VOGBLDUAQNAOIK-ZIVKBKJYSA-N 3 0 409.922 -1.171 20 0 HAADRP C[NH+]1CCC(c2ccc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])cc2)CC1 ZINC001218820932 1072253068 /nfs/dbraw/zinc/25/30/68/1072253068.db2.gz ABXGVGOCTJAUHM-UHFFFAOYSA-N 2 0 418.498 -1.258 20 0 HAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)Nc1ccc(N2CC[NH+](CCO)CC2)cc1)C(N)=O ZINC001218874230 1072253012 /nfs/dbraw/zinc/25/30/12/1072253012.db2.gz QZSXUVUDSXOXRS-WMLDXEAASA-N 2 0 420.514 -1.163 20 0 HAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(N2CC[NH+](CCO)CC2)cc1 ZINC001218874883 1072253611 /nfs/dbraw/zinc/25/36/11/1072253611.db2.gz YVRNLTMNLQVGDQ-BBRMVZONSA-N 2 0 406.487 -1.553 20 0 HAADRP NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)cc1Cl ZINC001218878207 1072254058 /nfs/dbraw/zinc/25/40/58/1072254058.db2.gz ALOLSLWSNVDEET-SSDOTTSWSA-N 2 0 423.904 -1.618 20 0 HAADRP NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)cc1Cl ZINC001218878212 1072253976 /nfs/dbraw/zinc/25/39/76/1072253976.db2.gz ALOLSLWSNVDEET-ZETCQYMHSA-N 2 0 423.904 -1.618 20 0 HAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)Nc1ccccc1C(=O)N1CC[NH2+]CC1)C(N)=O ZINC001218882368 1072254527 /nfs/dbraw/zinc/25/45/27/1072254527.db2.gz QQAMUPRKWXCYIT-SWLSCSKDSA-N 2 0 404.471 -1.232 20 0 HAADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N(CC[NH3+])S(C)(=O)=O ZINC001219595730 1072257157 /nfs/dbraw/zinc/25/71/57/1072257157.db2.gz MSFRNZNXZPGHMF-STQMWFEESA-N 2 0 405.521 -1.868 20 0 HAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1)C(=O)CF ZINC001219635355 1072257258 /nfs/dbraw/zinc/25/72/58/1072257258.db2.gz BZTVCAFONNUXHW-YTORKDELSA-N 2 0 419.473 -1.296 20 0 HAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCCS(=O)(=O)N1CCNCC1 ZINC001219678406 1072257898 /nfs/dbraw/zinc/25/78/98/1072257898.db2.gz NKBVRKHMMSTSIQ-GJZGRUSLSA-N 2 0 418.564 -2.215 20 0 HAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219719953 1072259158 /nfs/dbraw/zinc/25/91/58/1072259158.db2.gz BELAGJIPUXOBAH-CUSZFKRNSA-N 2 0 405.499 -1.344 20 0 HAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@@H]1COC[C@@H]1[NH3+])C(=O)CF ZINC001219720308 1072259217 /nfs/dbraw/zinc/25/92/17/1072259217.db2.gz IAODIUOQICITRH-NAYUARGSSA-N 2 0 403.455 -2.270 20 0 HAADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219739160 1072259062 /nfs/dbraw/zinc/25/90/62/1072259062.db2.gz ICQDXZZLPXSZQZ-JYJNAYRXSA-N 2 0 409.531 -1.120 20 0 HAADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219739161 1072259150 /nfs/dbraw/zinc/25/91/50/1072259150.db2.gz ICQDXZZLPXSZQZ-PMPSAXMXSA-N 2 0 409.531 -1.120 20 0 HAADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219766130 1072259089 /nfs/dbraw/zinc/25/90/89/1072259089.db2.gz MPASFWFCJPRMFU-OWSLCNJRSA-N 2 0 422.574 -1.205 20 0 HAADRP Cn1c2ncn(CC(=O)NC3CC[NH+](C4CC[NH2+]CC4)CC3)c2c(=O)n(C)c1=O ZINC001219794176 1072259912 /nfs/dbraw/zinc/25/99/12/1072259912.db2.gz SMBKWWPLQWZGOE-UHFFFAOYSA-N 2 0 403.487 -1.234 20 0 HAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001219796133 1072259826 /nfs/dbraw/zinc/25/98/26/1072259826.db2.gz NPOMVAXQYTWWNN-YOEHRIQHSA-N 3 0 408.547 -1.227 20 0 HAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1cc(=O)n2c(n1)CNCCC2 ZINC001219806076 1072259673 /nfs/dbraw/zinc/25/96/73/1072259673.db2.gz IZRVFQYZSIPAFC-HOTGVXAUSA-N 2 0 419.530 -1.200 20 0 HAADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219815252 1072259608 /nfs/dbraw/zinc/25/96/08/1072259608.db2.gz WPHIOSHNHSICJM-ULMVMLMRSA-N 2 0 409.531 -1.262 20 0 HAADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831586 1072259540 /nfs/dbraw/zinc/25/95/40/1072259540.db2.gz PTNGOACTJGPZNQ-NRKLIOEPSA-N 2 0 409.531 -1.121 20 0 HAADRP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219833542 1072259856 /nfs/dbraw/zinc/25/98/56/1072259856.db2.gz DTQJKBUZIMNNDA-DOXZYTNZSA-N 2 0 406.487 -1.175 20 0 HAADRP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219833544 1072259595 /nfs/dbraw/zinc/25/95/95/1072259595.db2.gz DTQJKBUZIMNNDA-VCBZYWHSSA-N 2 0 406.487 -1.175 20 0 HAADRP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219833546 1072259774 /nfs/dbraw/zinc/25/97/74/1072259774.db2.gz DTQJKBUZIMNNDA-YZVOILCLSA-N 2 0 406.487 -1.175 20 0 HAADRP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219833547 1072259872 /nfs/dbraw/zinc/25/98/72/1072259872.db2.gz DTQJKBUZIMNNDA-ZRGWGRIASA-N 2 0 406.487 -1.175 20 0 HAADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001219834471 1072260242 /nfs/dbraw/zinc/26/02/42/1072260242.db2.gz QIMQNLZELYYLPO-IIDMSEBBSA-N 2 0 401.529 -1.088 20 0 HAADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001219834472 1072260334 /nfs/dbraw/zinc/26/03/34/1072260334.db2.gz QIMQNLZELYYLPO-RKVPGOIHSA-N 2 0 401.529 -1.088 20 0 HAADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001219834473 1072260409 /nfs/dbraw/zinc/26/04/09/1072260409.db2.gz QIMQNLZELYYLPO-RVKKMQEKSA-N 2 0 401.529 -1.088 20 0 HAADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001219834474 1072260439 /nfs/dbraw/zinc/26/04/39/1072260439.db2.gz QIMQNLZELYYLPO-VKJFTORMSA-N 2 0 401.529 -1.088 20 0 HAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219836744 1072260416 /nfs/dbraw/zinc/26/04/16/1072260416.db2.gz DLQNUVGAOJIXAA-BOSXTWCSSA-N 3 0 411.547 -1.055 20 0 HAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219836745 1072260302 /nfs/dbraw/zinc/26/03/02/1072260302.db2.gz DLQNUVGAOJIXAA-NHAYFPRASA-N 3 0 411.547 -1.055 20 0 HAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219836746 1072260280 /nfs/dbraw/zinc/26/02/80/1072260280.db2.gz DLQNUVGAOJIXAA-OGNFBWPZSA-N 3 0 411.547 -1.055 20 0 HAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219836747 1072260364 /nfs/dbraw/zinc/26/03/64/1072260364.db2.gz DLQNUVGAOJIXAA-YLAKUSLOSA-N 3 0 411.547 -1.055 20 0 HAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219837448 1072260381 /nfs/dbraw/zinc/26/03/81/1072260381.db2.gz JNJAHSROAXRDDG-QCUYGVNKSA-N 2 0 411.503 -2.048 20 0 HAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219837449 1072260755 /nfs/dbraw/zinc/26/07/55/1072260755.db2.gz JNJAHSROAXRDDG-XLPNERPQSA-N 2 0 411.503 -2.048 20 0 HAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219837450 1072260815 /nfs/dbraw/zinc/26/08/15/1072260815.db2.gz JNJAHSROAXRDDG-XMDUPGNXSA-N 2 0 411.503 -2.048 20 0 HAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219837451 1072260977 /nfs/dbraw/zinc/26/09/77/1072260977.db2.gz JNJAHSROAXRDDG-YGTYGHESSA-N 2 0 411.503 -2.048 20 0 HAADRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219856679 1072260940 /nfs/dbraw/zinc/26/09/40/1072260940.db2.gz WXVFTEKZDKUEGK-FHULIHMCSA-N 2 0 409.531 -1.042 20 0 HAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@H](C)C[NH+](C)C)C(=O)CF ZINC001219916237 1072261580 /nfs/dbraw/zinc/26/15/80/1072261580.db2.gz ONKDXWRRIKBWBH-DVZHBHJUSA-N 2 0 403.499 -1.046 20 0 HAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@@H](C)C[NH+](C)C)C(=O)CF ZINC001219916238 1072261339 /nfs/dbraw/zinc/26/13/39/1072261339.db2.gz ONKDXWRRIKBWBH-QCQGSNGOSA-N 2 0 403.499 -1.046 20 0 HAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001219999445 1072262038 /nfs/dbraw/zinc/26/20/38/1072262038.db2.gz UBNGZESIEPJMDX-INIZCTEOSA-N 2 0 418.498 -1.753 20 0 HAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001219999446 1072262021 /nfs/dbraw/zinc/26/20/21/1072262021.db2.gz UBNGZESIEPJMDX-MRXNPFEDSA-N 2 0 418.498 -1.753 20 0 HAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N(Cc1ccccc1)C1(C[NH3+])COC1 ZINC001220022314 1072262493 /nfs/dbraw/zinc/26/24/93/1072262493.db2.gz FNWKMQUTQWMCRP-UHFFFAOYSA-N 2 0 420.470 -2.950 20 0 HAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)n1ccc(C[NH3+])cc1=N)C(=O)CF ZINC001220045272 1072263294 /nfs/dbraw/zinc/26/32/94/1072263294.db2.gz SOBDOZMLFQEGNC-BNLOLNQZSA-N 2 0 424.477 -1.032 20 0 HAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@H]1C[C@@H]([NH3+])C1)C(=O)CF ZINC001220150002 1072264384 /nfs/dbraw/zinc/26/43/84/1072264384.db2.gz MQXYBKBALJMMDN-DJUFWWRVSA-N 2 0 401.483 -1.259 20 0 HAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC1(C[NH3+])COC1)C(=O)CF ZINC001220154415 1072264567 /nfs/dbraw/zinc/26/45/67/1072264567.db2.gz SVVYIMZLZBQBCD-MJVIPROJSA-N 2 0 403.455 -2.268 20 0 HAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC1(C[NH3+])COC1 ZINC001220156821 1072264658 /nfs/dbraw/zinc/26/46/58/1072264658.db2.gz MFWKINJWDRGNGZ-RDJZCZTQSA-N 2 0 405.499 -1.343 20 0 HAADRP COCCC[NH+]1CCC(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC1 ZINC001220200591 1072264581 /nfs/dbraw/zinc/26/45/81/1072264581.db2.gz OLKQFLPOULWTSS-UHFFFAOYSA-N 2 0 400.480 -3.089 20 0 HAADRP COC(=O)[C@]1(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CC[N@H+](Cc2ccccc2)C1 ZINC001220228327 1072265194 /nfs/dbraw/zinc/26/51/94/1072265194.db2.gz JDMMOJIIIHOXAW-KPHUOKFYSA-N 2 0 419.482 -1.372 20 0 HAADRP COC(=O)[C@@]1(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CC[N@H+](Cc2ccccc2)C1 ZINC001220228328 1072265145 /nfs/dbraw/zinc/26/51/45/1072265145.db2.gz JDMMOJIIIHOXAW-ZQGRQUNCSA-N 2 0 419.482 -1.372 20 0 HAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCC1CC[NH+](C2CCCCC2)CC1 ZINC001220260756 1072265173 /nfs/dbraw/zinc/26/51/73/1072265173.db2.gz GGRDJHOQZGSCIJ-UHFFFAOYSA-N 2 0 424.546 -1.545 20 0 HAADRP CCOC(=O)C1(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC[NH+](C)CC1 ZINC001220345597 1072266255 /nfs/dbraw/zinc/26/62/55/1072266255.db2.gz JSQJPTMATBXTSC-UHFFFAOYSA-N 2 0 414.463 -3.563 20 0 HAADRP CCOC(=O)C1(NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])CC[NH+](C)CC1 ZINC001220345838 1072266368 /nfs/dbraw/zinc/26/63/68/1072266368.db2.gz QGOJUNIZXAUURE-KBPBESRZSA-N 2 0 411.503 -1.416 20 0 HAADRP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001220384311 1072266118 /nfs/dbraw/zinc/26/61/18/1072266118.db2.gz OMWHBUHNAFJNMX-AWEZNQCLSA-N 2 0 404.471 -1.571 20 0 HAADRP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001220384312 1072266332 /nfs/dbraw/zinc/26/63/32/1072266332.db2.gz OMWHBUHNAFJNMX-CQSZACIVSA-N 2 0 404.471 -1.571 20 0 HAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@H]1COCC[NH2+]1)C(=O)CF ZINC001220428884 1072266832 /nfs/dbraw/zinc/26/68/32/1072266832.db2.gz HBWHYERYUNCKKK-QCQGSNGOSA-N 2 0 417.482 -2.008 20 0 HAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@@H]1COCC[NH2+]1)C(=O)CF ZINC001220428885 1072266918 /nfs/dbraw/zinc/26/69/18/1072266918.db2.gz HBWHYERYUNCKKK-ZWUHOBOKSA-N 2 0 417.482 -2.008 20 0 HAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001220429414 1072266970 /nfs/dbraw/zinc/26/69/70/1072266970.db2.gz RCAMRKMVZINADE-QVDMIQRCSA-N 2 0 416.482 -2.460 20 0 HAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001220431165 1072266901 /nfs/dbraw/zinc/26/69/01/1072266901.db2.gz BVHHVVNHVHYZKK-AOIWGVFYSA-N 2 0 419.526 -1.082 20 0 HAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001220431166 1072266810 /nfs/dbraw/zinc/26/68/10/1072266810.db2.gz BVHHVVNHVHYZKK-LNLFQRSKSA-N 2 0 419.526 -1.082 20 0 HAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N(C(N)=[NH2+])c1ccc(N2CCOCC2)cc1)C(N)=O ZINC001220460327 1072267267 /nfs/dbraw/zinc/26/72/67/1072267267.db2.gz IDZZEZWWFGMNAZ-SWLSCSKDSA-N 2 0 419.486 -1.153 20 0 HAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N(C(N)=[NH2+])c1ccc(N2CCOCC2)cc1 ZINC001220460475 1072267338 /nfs/dbraw/zinc/26/73/38/1072267338.db2.gz OGHBJWSWSBSSGT-FZMZJTMJSA-N 2 0 405.459 -1.543 20 0 HAADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@]2(N)CC[NH2+]C2)[C@H](O)OC(C)(C)C)C1 ZINC001220505586 1072267773 /nfs/dbraw/zinc/26/77/73/1072267773.db2.gz FGMCHDCUTDEAEL-ALQBZWJUSA-N 3 0 401.552 -1.027 20 0 HAADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@]2(N)CC[NH2+]C2)[C@@H](O)OC(C)(C)C)C1 ZINC001220505587 1072268070 /nfs/dbraw/zinc/26/80/70/1072268070.db2.gz FGMCHDCUTDEAEL-BEDCADPYSA-N 3 0 401.552 -1.027 20 0 HAADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@]2(N)CC[NH2+]C2)[C@@H](O)OC(C)(C)C)C1 ZINC001220505588 1072267815 /nfs/dbraw/zinc/26/78/15/1072267815.db2.gz FGMCHDCUTDEAEL-FJEQJOSOSA-N 3 0 401.552 -1.027 20 0 HAADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@]2(N)CC[NH2+]C2)[C@H](O)OC(C)(C)C)C1 ZINC001220505589 1072267791 /nfs/dbraw/zinc/26/77/91/1072267791.db2.gz FGMCHDCUTDEAEL-RBTLXEBCSA-N 3 0 401.552 -1.027 20 0 HAADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CNC(=O)N2)[C@H](O)OC(C)(C)C)C1 ZINC001220505634 1072267854 /nfs/dbraw/zinc/26/78/54/1072267854.db2.gz FYSQSOXXDOXAIO-JDRSYFSLSA-N 2 0 401.508 -1.037 20 0 HAADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CNC(=O)N2)[C@@H](O)OC(C)(C)C)C1 ZINC001220505635 1072267993 /nfs/dbraw/zinc/26/79/93/1072267993.db2.gz FYSQSOXXDOXAIO-NCBDHNCWSA-N 2 0 401.508 -1.037 20 0 HAADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CNC(=O)N2)[C@@H](O)OC(C)(C)C)C1 ZINC001220505636 1072267915 /nfs/dbraw/zinc/26/79/15/1072267915.db2.gz FYSQSOXXDOXAIO-RAWKFELOSA-N 2 0 401.508 -1.037 20 0 HAADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CNC(=O)N2)[C@H](O)OC(C)(C)C)C1 ZINC001220505637 1072267739 /nfs/dbraw/zinc/26/77/39/1072267739.db2.gz FYSQSOXXDOXAIO-SGPHYXEKSA-N 2 0 401.508 -1.037 20 0 HAADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[NH2+]C[C@H]2O)[C@H](O)OC(C)(C)C)C1 ZINC001220505841 1072267938 /nfs/dbraw/zinc/26/79/38/1072267938.db2.gz ISIJBUPBLRXGMM-GUXWSQKGSA-N 3 0 402.536 -1.138 20 0 HAADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[NH2+]C[C@@H]2O)[C@H](O)OC(C)(C)C)C1 ZINC001220505842 1072267722 /nfs/dbraw/zinc/26/77/22/1072267722.db2.gz ISIJBUPBLRXGMM-JPWZUXQISA-N 3 0 402.536 -1.138 20 0 HAADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[NH2+]C[C@@H]2O)[C@@H](O)OC(C)(C)C)C1 ZINC001220505843 1072267959 /nfs/dbraw/zinc/26/79/59/1072267959.db2.gz ISIJBUPBLRXGMM-JXVUMFGISA-N 3 0 402.536 -1.138 20 0 HAADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[NH2+]C[C@H]2O)[C@@H](O)OC(C)(C)C)C1 ZINC001220505844 1072268047 /nfs/dbraw/zinc/26/80/47/1072268047.db2.gz ISIJBUPBLRXGMM-NPPSCGBJSA-N 3 0 402.536 -1.138 20 0 HAADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[NH2+]CCN2)[C@H](O)OC(C)(C)C)C1 ZINC001220506832 1072267892 /nfs/dbraw/zinc/26/78/92/1072267892.db2.gz PYTYULRAGWLBTN-BBAVMRQUSA-N 3 0 401.552 -1.157 20 0 HAADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2C[NH2+]CCN2)[C@H](O)OC(C)(C)C)C1 ZINC001220506833 1072267877 /nfs/dbraw/zinc/26/78/77/1072267877.db2.gz PYTYULRAGWLBTN-JLGBXGMVSA-N 3 0 401.552 -1.157 20 0 HAADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2C[NH2+]CCN2)[C@H](O)OC(C)(C)C)C1 ZINC001220506834 1072267983 /nfs/dbraw/zinc/26/79/83/1072267983.db2.gz PYTYULRAGWLBTN-KZASZHMNSA-N 3 0 401.552 -1.157 20 0 HAADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2C[NH2+]CCN2)[C@@H](O)OC(C)(C)C)C1 ZINC001220506835 1072268028 /nfs/dbraw/zinc/26/80/28/1072268028.db2.gz PYTYULRAGWLBTN-LGYSWQCXSA-N 3 0 401.552 -1.157 20 0 HAADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[NH2+]CCN2)[C@@H](O)OC(C)(C)C)C1 ZINC001220506836 1072267902 /nfs/dbraw/zinc/26/79/02/1072267902.db2.gz PYTYULRAGWLBTN-QPMXBGOESA-N 3 0 401.552 -1.157 20 0 HAADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2C[NH2+]CCN2)[C@@H](O)OC(C)(C)C)C1 ZINC001220506837 1072268040 /nfs/dbraw/zinc/26/80/40/1072268040.db2.gz PYTYULRAGWLBTN-RYPZSOQESA-N 3 0 401.552 -1.157 20 0 HAADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[NH2+]CCN2)[C@@H](O)OC(C)(C)C)C1 ZINC001220506838 1072267840 /nfs/dbraw/zinc/26/78/40/1072267840.db2.gz PYTYULRAGWLBTN-WELJMZOKSA-N 3 0 401.552 -1.157 20 0 HAADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[NH2+]CCN2)[C@H](O)OC(C)(C)C)C1 ZINC001220506839 1072268017 /nfs/dbraw/zinc/26/80/17/1072268017.db2.gz PYTYULRAGWLBTN-ZRNNSCFXSA-N 3 0 401.552 -1.157 20 0 HAADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[C@H]([NH3+])CN2)[C@@H](O)OC(C)(C)C)C1 ZINC001220506840 1072268330 /nfs/dbraw/zinc/26/83/30/1072268330.db2.gz QADNSQQTADDULU-AAQOISQYSA-N 3 0 401.552 -1.029 20 0 HAADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[C@H]([NH3+])CN2)[C@H](O)OC(C)(C)C)C1 ZINC001220506841 1072268348 /nfs/dbraw/zinc/26/83/48/1072268348.db2.gz QADNSQQTADDULU-DISWMANOSA-N 3 0 401.552 -1.029 20 0 HAADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[C@H]([NH3+])CN2)[C@H](O)OC(C)(C)C)C1 ZINC001220506842 1072268460 /nfs/dbraw/zinc/26/84/60/1072268460.db2.gz QADNSQQTADDULU-GAFCNROLSA-N 3 0 401.552 -1.029 20 0 HAADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[C@@H]([NH3+])CN2)[C@H](O)OC(C)(C)C)C1 ZINC001220506843 1072268492 /nfs/dbraw/zinc/26/84/92/1072268492.db2.gz QADNSQQTADDULU-JPWZUXQISA-N 3 0 401.552 -1.029 20 0 HAADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[C@@H]([NH3+])CN2)[C@@H](O)OC(C)(C)C)C1 ZINC001220506844 1072268389 /nfs/dbraw/zinc/26/83/89/1072268389.db2.gz QADNSQQTADDULU-JXVUMFGISA-N 3 0 401.552 -1.029 20 0 HAADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[C@@H]([NH3+])CN2)[C@@H](O)OC(C)(C)C)C1 ZINC001220506845 1072268588 /nfs/dbraw/zinc/26/85/88/1072268588.db2.gz QADNSQQTADDULU-UYBGIQSRSA-N 3 0 401.552 -1.029 20 0 HAADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[C@@H]([NH3+])CN2)[C@H](O)OC(C)(C)C)C1 ZINC001220506846 1072268530 /nfs/dbraw/zinc/26/85/30/1072268530.db2.gz QADNSQQTADDULU-WWKLNKTQSA-N 3 0 401.552 -1.029 20 0 HAADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[C@H]([NH3+])CN2)[C@@H](O)OC(C)(C)C)C1 ZINC001220506847 1072268559 /nfs/dbraw/zinc/26/85/59/1072268559.db2.gz QADNSQQTADDULU-ZDXZYRICSA-N 3 0 401.552 -1.029 20 0 HAADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CNC(=O)C[NH3+])[C@H](O)OC(C)(C)C)C1 ZINC001220507073 1072268365 /nfs/dbraw/zinc/26/83/65/1072268365.db2.gz RVWGOQHGBHAERI-AVVLXZEZSA-N 3 0 403.524 -1.643 20 0 HAADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CNC(=O)C[NH3+])[C@@H](O)OC(C)(C)C)C1 ZINC001220507074 1072268612 /nfs/dbraw/zinc/26/86/12/1072268612.db2.gz RVWGOQHGBHAERI-HLNSEHPISA-N 3 0 403.524 -1.643 20 0 HAADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CNC(=O)C[NH3+])[C@@H](O)OC(C)(C)C)C1 ZINC001220507075 1072268433 /nfs/dbraw/zinc/26/84/33/1072268433.db2.gz RVWGOQHGBHAERI-NTLKJNNPSA-N 3 0 403.524 -1.643 20 0 HAADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CNC(=O)C[NH3+])[C@H](O)OC(C)(C)C)C1 ZINC001220507076 1072268321 /nfs/dbraw/zinc/26/83/21/1072268321.db2.gz RVWGOQHGBHAERI-UCQBOQSVSA-N 3 0 403.524 -1.643 20 0 HAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)CC[NH3+] ZINC001220517467 1072269542 /nfs/dbraw/zinc/26/95/42/1072269542.db2.gz MQSDAHYXZPCSHS-HKUYNNGSSA-N 2 0 420.558 -1.180 20 0 HAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCCN(C)CC[NH3+])C(=O)CF ZINC001220517706 1072269505 /nfs/dbraw/zinc/26/95/05/1072269505.db2.gz WTBIBSHEBQYODF-XEZPLFJOSA-N 2 0 418.514 -2.105 20 0 HAADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)NCCOCCOCC[NH3+] ZINC001220519377 1072269669 /nfs/dbraw/zinc/26/96/69/1072269669.db2.gz MBYUCSJWRBWRQE-HOTGVXAUSA-N 2 0 415.535 -1.506 20 0 HAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N(CC(C)(C)[NH3+])S(=O)(=O)c1ccccc1 ZINC001220536015 1072270366 /nfs/dbraw/zinc/27/03/66/1072270366.db2.gz RYRXNQXVXSXNQQ-AAEUAGOBSA-N 2 0 413.500 -1.351 20 0 HAADRP [NH3+]CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC001220538072 1072270082 /nfs/dbraw/zinc/27/00/82/1072270082.db2.gz AKSOSOKRHNWYJZ-UHFFFAOYSA-N 2 0 422.530 -1.950 20 0 HAADRP CCOC(=O)CN(CC[NH3+])C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC[NH2+]1 ZINC001220585589 1072271099 /nfs/dbraw/zinc/27/10/99/1072271099.db2.gz QGDXIRJJRPZACR-GJZGRUSLSA-N 2 0 413.519 -1.264 20 0 HAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001220743796 1072271485 /nfs/dbraw/zinc/27/14/85/1072271485.db2.gz QDZPKKPJHRYMCW-UHFFFAOYSA-N 2 0 405.459 -2.526 20 0 HAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]([NH3+])Cn2cccn2)c2nonc21 ZINC001220745839 1072271332 /nfs/dbraw/zinc/27/13/32/1072271332.db2.gz CYZUXYVUJKCOBS-NSHDSACASA-N 2 0 422.471 -1.011 20 0 HAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]([NH3+])C(C)(C)O)c2nonc21 ZINC001220745855 1072271508 /nfs/dbraw/zinc/27/15/08/1072271508.db2.gz DPMXILLITIPEGU-CYBMUJFWSA-N 2 0 400.461 -1.137 20 0 HAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)c2nonc21 ZINC001220747873 1072271610 /nfs/dbraw/zinc/27/16/10/1072271610.db2.gz AWQIKKOAJQQWIN-APPDUMDISA-N 2 0 423.499 -1.284 20 0 HAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@]23C[NH2+]C[C@H]2CCN3)c2nonc21 ZINC001220747874 1072271555 /nfs/dbraw/zinc/27/15/55/1072271555.db2.gz AWQIKKOAJQQWIN-DIFFPNOSSA-N 2 0 423.499 -1.284 20 0 HAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@]23C[NH2+]C[C@@H]2CCN3)c2nonc21 ZINC001220747875 1072271651 /nfs/dbraw/zinc/27/16/51/1072271651.db2.gz AWQIKKOAJQQWIN-GTNSWQLSSA-N 2 0 423.499 -1.284 20 0 HAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@]23C[NH2+]C[C@H]2CCN3)c2nonc21 ZINC001220747876 1072272016 /nfs/dbraw/zinc/27/20/16/1072272016.db2.gz AWQIKKOAJQQWIN-PIGZYNQJSA-N 2 0 423.499 -1.284 20 0 HAADRP C[NH2+][C@H](C(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21)[C@@H](C)O ZINC001220748067 1072271962 /nfs/dbraw/zinc/27/19/62/1072271962.db2.gz DDOPUCGCTDQHSE-SKDRFNHKSA-N 2 0 400.461 -1.266 20 0 HAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)c2nonc21 ZINC001220748074 1072271981 /nfs/dbraw/zinc/27/19/81/1072271981.db2.gz DHUJAPWTAATVAK-AGKHESDQSA-N 2 0 423.499 -1.013 20 0 HAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]2C[NH2+]CCN2C)c2nonc21 ZINC001220748094 1072271923 /nfs/dbraw/zinc/27/19/23/1072271923.db2.gz DVDNCQSPTVHMQR-GFCCVEGCSA-N 2 0 411.488 -1.332 20 0 HAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2C[NH2+]CCN2C)c2nonc21 ZINC001220748095 1072272083 /nfs/dbraw/zinc/27/20/83/1072272083.db2.gz DVDNCQSPTVHMQR-LBPRGKRZSA-N 2 0 411.488 -1.332 20 0 HAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)c2nonc21 ZINC001220748212 1072272036 /nfs/dbraw/zinc/27/20/36/1072272036.db2.gz GMCBAKXWIZVEEZ-SDDRHHMPSA-N 2 0 423.499 -1.285 20 0 HAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)C2=NO[C@@H]3C[NH2+]C[C@H]23)c2nonc21 ZINC001220748295 1072272074 /nfs/dbraw/zinc/27/20/74/1072272074.db2.gz HVZAUKFRZVUMDB-GXSJLCMTSA-N 2 0 423.455 -1.261 20 0 HAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)c2nonc21 ZINC001220748387 1072272118 /nfs/dbraw/zinc/27/21/18/1072272118.db2.gz IJMBSMLMLISLJO-LLVKDONJSA-N 3 0 423.499 -1.426 20 0 HAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)c2nonc21 ZINC001220748389 1072271996 /nfs/dbraw/zinc/27/19/96/1072271996.db2.gz IJMBSMLMLISLJO-NSHDSACASA-N 3 0 423.499 -1.426 20 0 HAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)C2(O)CC[NH2+]CC2)c2nonc21 ZINC001220748396 1072272059 /nfs/dbraw/zinc/27/20/59/1072272059.db2.gz IMJDSJHESXAKNV-UHFFFAOYSA-N 2 0 412.472 -1.121 20 0 HAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)c2nonc21 ZINC001220748405 1072272108 /nfs/dbraw/zinc/27/21/08/1072272108.db2.gz ISMBQMLYXJLCGF-NTZNESFSSA-N 2 0 424.483 -1.001 20 0 HAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)CN2CC[NH2+]CC2)c2nonc21 ZINC001220748617 1072271949 /nfs/dbraw/zinc/27/19/49/1072271949.db2.gz KQJWVZRLSOIVJD-UHFFFAOYSA-N 2 0 411.488 -1.330 20 0 HAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]2C[NH2+]C[C@H](O)C2)c2nonc21 ZINC001220748694 1072272113 /nfs/dbraw/zinc/27/21/13/1072272113.db2.gz LQLMPWQVELDEIP-GHMZBOCLSA-N 2 0 412.472 -1.265 20 0 HAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]2C[NH2+]C[C@@H](O)C2)c2nonc21 ZINC001220748695 1072272067 /nfs/dbraw/zinc/27/20/67/1072272067.db2.gz LQLMPWQVELDEIP-MNOVXSKESA-N 2 0 412.472 -1.265 20 0 HAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2C[NH2+]C[C@@H](O)C2)c2nonc21 ZINC001220748696 1072272046 /nfs/dbraw/zinc/27/20/46/1072272046.db2.gz LQLMPWQVELDEIP-QWRGUYRKSA-N 2 0 412.472 -1.265 20 0 HAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2C[NH2+]C[C@H](O)C2)c2nonc21 ZINC001220748697 1072272103 /nfs/dbraw/zinc/27/21/03/1072272103.db2.gz LQLMPWQVELDEIP-WDEREUQCSA-N 2 0 412.472 -1.265 20 0 HAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]2C[NH2+]CC[C@H]2O)c2nonc21 ZINC001220748840 1072272123 /nfs/dbraw/zinc/27/21/23/1072272123.db2.gz NSKHLOGOYGALFA-CMPLNLGQSA-N 2 0 412.472 -1.265 20 0 HAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]2C[NH2+]CC[C@@H]2O)c2nonc21 ZINC001220748841 1072272053 /nfs/dbraw/zinc/27/20/53/1072272053.db2.gz NSKHLOGOYGALFA-JQWIXIFHSA-N 2 0 412.472 -1.265 20 0 HAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2C[NH2+]CC[C@@H]2O)c2nonc21 ZINC001220748842 1072272424 /nfs/dbraw/zinc/27/24/24/1072272424.db2.gz NSKHLOGOYGALFA-PWSUYJOCSA-N 2 0 412.472 -1.265 20 0 HAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2C[NH2+]CC[C@H]2O)c2nonc21 ZINC001220748843 1072272508 /nfs/dbraw/zinc/27/25/08/1072272508.db2.gz NSKHLOGOYGALFA-ZYHUDNBSSA-N 2 0 412.472 -1.265 20 0 HAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@]2(N)CCC[NH2+]C2)c2nonc21 ZINC001220749372 1072272409 /nfs/dbraw/zinc/27/24/09/1072272409.db2.gz SRTIWIMNYRUXHS-INIZCTEOSA-N 2 0 411.488 -1.154 20 0 HAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@]2(N)CCC[NH2+]C2)c2nonc21 ZINC001220749373 1072272603 /nfs/dbraw/zinc/27/26/03/1072272603.db2.gz SRTIWIMNYRUXHS-MRXNPFEDSA-N 2 0 411.488 -1.154 20 0 HAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)C2(N)CC[NH2+]CC2)c2nonc21 ZINC001220749423 1072272436 /nfs/dbraw/zinc/27/24/36/1072272436.db2.gz VLUYOSUPYBEGNP-UHFFFAOYSA-N 2 0 411.488 -1.154 20 0 HAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]2C[NH2+]CCC2=O)c2nonc21 ZINC001220749682 1072272639 /nfs/dbraw/zinc/27/26/39/1072272639.db2.gz YEEKHZKPOLAPEK-JTQLQIEISA-N 2 0 410.456 -1.057 20 0 HAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2C[NH2+]CCC2=O)c2nonc21 ZINC001220749683 1072272613 /nfs/dbraw/zinc/27/26/13/1072272613.db2.gz YEEKHZKPOLAPEK-SNVBAGLBSA-N 2 0 410.456 -1.057 20 0 HAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@]23C[NH2+][C@@H](CO2)C3)c2nonc21 ZINC001220749705 1072272342 /nfs/dbraw/zinc/27/23/42/1072272342.db2.gz ZCJJAQYYFAVNOV-QLJPJBMISA-N 2 0 410.456 -1.104 20 0 HAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCCCN1CCS(=O)(=O)CC1 ZINC001220756587 1072272483 /nfs/dbraw/zinc/27/24/83/1072272483.db2.gz GGMLYHLJZXGHSI-HOTGVXAUSA-N 2 0 417.576 -1.330 20 0 HAADRP COC(=O)[C@@H](Cc1cncn1C)NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001220769019 1072272518 /nfs/dbraw/zinc/27/25/18/1072272518.db2.gz GXWMYYYTKDXZME-LLVKDONJSA-N 2 0 411.419 -4.072 20 0 HAADRP CCOC(=O)C1=C(NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCC[NH2+]2)C[NH2+]C1 ZINC001220830513 1072273192 /nfs/dbraw/zinc/27/31/92/1072273192.db2.gz ZUQARFDDLAPERE-GJZGRUSLSA-N 2 0 423.514 -1.078 20 0 HAADRP CCOC(=O)C1(NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCC[NH2+]2)C[NH2+]C1 ZINC001220853271 1072272998 /nfs/dbraw/zinc/27/29/98/1072272998.db2.gz SZFRPTHRFYZDHM-KBPBESRZSA-N 2 0 411.503 -1.593 20 0 HAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)n1cc(Br)ccc1=NCC[NH3+] ZINC001220870826 1072273130 /nfs/dbraw/zinc/27/31/30/1072273130.db2.gz QCHTZXUEUYIEBH-WPRPVWTQSA-N 2 0 401.265 -1.542 20 0 HAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@H]1CCC[NH2+]C1)C(=O)CF ZINC001220886414 1072273856 /nfs/dbraw/zinc/27/38/56/1072273856.db2.gz BTTRUQFLDIDOTA-QCQGSNGOSA-N 2 0 401.483 -1.244 20 0 HAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@@H]1CCC[NH2+]C1)C(=O)CF ZINC001220886415 1072273735 /nfs/dbraw/zinc/27/37/35/1072273735.db2.gz BTTRUQFLDIDOTA-ZWUHOBOKSA-N 2 0 401.483 -1.244 20 0 HAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)NCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001220900399 1072273547 /nfs/dbraw/zinc/27/35/47/1072273547.db2.gz JBAPAGFXZCXMRH-UHFFFAOYSA-N 2 0 403.549 -1.200 20 0 HAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001220901227 1072273509 /nfs/dbraw/zinc/27/35/09/1072273509.db2.gz ULQQYNWQNSJGBK-ZFWWWQNUSA-N 2 0 410.519 -1.713 20 0 HAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)NCC(=O)N1CC[NH+](C2CCCCC2)CC1)C(N)=O ZINC001220901412 1072273530 /nfs/dbraw/zinc/27/35/30/1072273530.db2.gz YUONGNZFTWPZCL-GOEBONIOSA-N 2 0 424.546 -1.323 20 0 HAADRP CCc1ccc(CN(CC[NH3+])C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])cc1 ZINC001220902967 1072273818 /nfs/dbraw/zinc/27/38/18/1072273818.db2.gz GXEXDORVXXIESN-UHFFFAOYSA-N 2 0 406.487 -2.156 20 0 HAADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001220903113 1072273716 /nfs/dbraw/zinc/27/37/16/1072273716.db2.gz LSCPCLUMWMZFAD-STQMWFEESA-N 2 0 403.484 -1.216 20 0 HAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001220916813 1072273629 /nfs/dbraw/zinc/27/36/29/1072273629.db2.gz BVADQQLDHUTIHQ-HNNXBMFYSA-N 2 0 410.519 -1.936 20 0 HAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N(c1ccncn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001220941579 1072274638 /nfs/dbraw/zinc/27/46/38/1072274638.db2.gz UXICREDSOGWLQK-JOCQHMNTSA-N 2 0 420.474 -2.613 20 0 HAADRP Cc1cn([C@H]2C[C@H](NC(=O)[C@@H]3CCC4(CC[NH2+]CC4)[NH2+]3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220966996 1072275012 /nfs/dbraw/zinc/27/50/12/1072275012.db2.gz ODFJYTRBNIGXJN-BYNSBNAKSA-N 2 0 407.471 -1.104 20 0 HAADRP Cc1cn([C@H]2C[C@H](NC(=O)[C@H]3CCC4(CC[NH2+]CC4)[NH2+]3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220966997 1072275064 /nfs/dbraw/zinc/27/50/64/1072275064.db2.gz ODFJYTRBNIGXJN-LXTVHRRPSA-N 2 0 407.471 -1.104 20 0 HAADRP Cc1cn([C@H]2C[C@H](NC(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220969037 1072275217 /nfs/dbraw/zinc/27/52/17/1072275217.db2.gz LXRWTZWAKHIEIM-BYNSBNAKSA-N 2 0 410.475 -2.228 20 0 HAADRP Cc1cn([C@H]2C[C@H](NC(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220969038 1072275164 /nfs/dbraw/zinc/27/51/64/1072275164.db2.gz LXRWTZWAKHIEIM-LXTVHRRPSA-N 2 0 410.475 -2.228 20 0 HAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC([NH3+])(C(=O)NCc2ccccc2)CC1 ZINC001220971065 1072275888 /nfs/dbraw/zinc/27/58/88/1072275888.db2.gz RXKGZLMXJQTLQY-ZFWWWQNUSA-N 2 0 418.498 -1.670 20 0 HAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC([NH3+])(c2ccc(F)cc2)CC1 ZINC001220982552 1072275626 /nfs/dbraw/zinc/27/56/26/1072275626.db2.gz GWXABHWUGLYPNV-UHFFFAOYSA-N 2 0 422.461 -2.091 20 0 HAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N[C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1 ZINC001221006966 1072275756 /nfs/dbraw/zinc/27/57/56/1072275756.db2.gz PYKHJJGGPSJCLS-VGWMRTNUSA-N 2 0 424.546 -1.454 20 0 HAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001221056374 1072275844 /nfs/dbraw/zinc/27/58/44/1072275844.db2.gz PQZGMNPNFRELKQ-HDJSIYSDSA-N 2 0 412.491 -2.947 20 0 HAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001221062831 1072276242 /nfs/dbraw/zinc/27/62/42/1072276242.db2.gz BNHZHCMWACSIMA-INIZCTEOSA-N 2 0 418.498 -1.926 20 0 HAADRP CCC(CC)[C@@H](NC(=O)[C@@H]1NC(=O)CC12C[NH2+]C2)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221069984 1072276410 /nfs/dbraw/zinc/27/64/10/1072276410.db2.gz ALAOHSFCXFNOOE-RILBPXLRSA-N 2 0 410.515 -1.117 20 0 HAADRP CCC(CC)[C@@H](NC(=O)[C@H]1NC(=O)CC12C[NH2+]C2)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221069987 1072276188 /nfs/dbraw/zinc/27/61/88/1072276188.db2.gz ALAOHSFCXFNOOE-XXXNSXPYSA-N 2 0 410.515 -1.117 20 0 HAADRP CCC(CC)[C@@H](NC(=O)[C@@H]1COC2(C[NH2+]C2)CN1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221070269 1072276143 /nfs/dbraw/zinc/27/61/43/1072276143.db2.gz LSEVGPUBICZJIY-KMIMBKNBSA-N 2 0 412.531 -1.265 20 0 HAADRP CCC(CC)[C@@H](NC(=O)[C@H]1COC2(C[NH2+]C2)CN1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221070270 1072276201 /nfs/dbraw/zinc/27/62/01/1072276201.db2.gz LSEVGPUBICZJIY-XXJXLTMMSA-N 2 0 412.531 -1.265 20 0 HAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001221148696 1072276557 /nfs/dbraw/zinc/27/65/57/1072276557.db2.gz LIVOTLACBYHSKV-UHFFFAOYSA-N 2 0 419.529 -1.847 20 0 HAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001221149168 1072276535 /nfs/dbraw/zinc/27/65/35/1072276535.db2.gz YEVDXDCDNZWCOI-KRWDZBQOSA-N 3 0 410.544 -1.317 20 0 HAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001221149172 1072276489 /nfs/dbraw/zinc/27/64/89/1072276489.db2.gz YEVDXDCDNZWCOI-QGZVFWFLSA-N 3 0 410.544 -1.317 20 0 HAADRP COC(=O)[C@H](CCC[NH3+])NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC[NH2+]1 ZINC001221190521 1072276882 /nfs/dbraw/zinc/27/68/82/1072276882.db2.gz QROKWLJZORUAFQ-KKUMJFAQSA-N 2 0 413.519 -1.218 20 0 HAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@H]1C[C@@](C)([NH3+])C1)C(=O)CF ZINC001221239265 1072277584 /nfs/dbraw/zinc/27/75/84/1072277584.db2.gz LAUZJRULKSMJCZ-MUZANDFQSA-N 2 0 401.483 -1.116 20 0 HAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@@H]1CC[N@H+](C)C1)C(=O)CF ZINC001221253978 1072277498 /nfs/dbraw/zinc/27/74/98/1072277498.db2.gz DGSHALNCRGXEKF-WSMBLCCSSA-N 2 0 415.510 -1.044 20 0 HAADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221348844 1072279654 /nfs/dbraw/zinc/27/96/54/1072279654.db2.gz OIJNYFZYQOJRON-JYJNAYRXSA-N 2 0 407.519 -1.028 20 0 HAADRP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001221349232 1072280753 /nfs/dbraw/zinc/28/07/53/1072280753.db2.gz UHKOMAGAPRYGAH-CTYUOQFJSA-N 2 0 403.487 -1.888 20 0 HAADRP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001221349547 1072280936 /nfs/dbraw/zinc/28/09/36/1072280936.db2.gz YRJOKYQBTFLADP-JYJNAYRXSA-N 2 0 417.514 -1.213 20 0 HAADRP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001221349550 1072280905 /nfs/dbraw/zinc/28/09/05/1072280905.db2.gz YRJOKYQBTFLADP-PMPSAXMXSA-N 2 0 417.514 -1.213 20 0 HAADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CC[NH2+]1)C(N)=O ZINC001221351637 1072281677 /nfs/dbraw/zinc/28/16/77/1072281677.db2.gz KEZNZAKLVJJNJV-VGWMRTNUSA-N 2 0 424.546 -1.421 20 0 HAADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](C)[NH3+])C(N)=O ZINC001221352191 1072281543 /nfs/dbraw/zinc/28/15/43/1072281543.db2.gz SFXVVEIFDSHQTD-QPSCCSFWSA-N 2 0 412.535 -1.436 20 0 HAADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C1([NH3+])CC1)C(N)=O ZINC001221352640 1072281449 /nfs/dbraw/zinc/28/14/49/1072281449.db2.gz XEQDFBCUJVKIQY-KKUMJFAQSA-N 2 0 424.546 -1.291 20 0 HAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@@H]1C[NH2+]CC[C@H]1F)C(=O)CF ZINC001221366069 1072281409 /nfs/dbraw/zinc/28/14/09/1072281409.db2.gz LNZFHAXEYGIXJP-SMTWKSNJSA-N 2 0 419.473 -1.296 20 0 HAADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)NC1(CO)CC[NH+](C)CC1 ZINC001221403300 1072282274 /nfs/dbraw/zinc/28/22/74/1072282274.db2.gz BCVVELIZDFZOSL-HOTGVXAUSA-N 2 0 411.547 -1.042 20 0 HAADRP Cn1cc(C[NH+]2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)c(=O)n(C)c1=O ZINC001231766403 1072288620 /nfs/dbraw/zinc/28/86/20/1072288620.db2.gz AIBJUUDQMSJXPY-UHFFFAOYSA-N 2 0 406.531 -1.246 20 0 HAADRP O=C([C@H]1CCS(=O)(=O)[C@@H]2C[N@H+](CC[C@H]3C[NH2+]CCO3)C[C@@H]21)N1CCOCC1 ZINC001235550592 1072290249 /nfs/dbraw/zinc/29/02/49/1072290249.db2.gz OYMCYBKJGALEKS-MWDXBVQZSA-N 2 0 401.529 -1.041 20 0 HAADRP O=C([C@@H]1CCS(=O)(=O)[C@@H]2C[N@H+](CC[C@@H]3C[NH2+]CCO3)C[C@@H]21)N1CCOCC1 ZINC001235550595 1072290165 /nfs/dbraw/zinc/29/01/65/1072290165.db2.gz OYMCYBKJGALEKS-QBPKDAKJSA-N 2 0 401.529 -1.041 20 0 HAADRP O=C([C@@H]1CCS(=O)(=O)[C@@H]2C[N@H+](CC[C@H]3C[NH2+]CCO3)C[C@@H]21)N1CCOCC1 ZINC001235550596 1072290181 /nfs/dbraw/zinc/29/01/81/1072290181.db2.gz OYMCYBKJGALEKS-YLFCFFPRSA-N 2 0 401.529 -1.041 20 0 HAADRP O=C([C@H]1CCS(=O)(=O)[C@@H]2C[N@H+](CC[C@@H]3C[NH2+]CCO3)C[C@@H]21)N1CCOCC1 ZINC001235550599 1072290226 /nfs/dbraw/zinc/29/02/26/1072290226.db2.gz OYMCYBKJGALEKS-YYIAUSFCSA-N 2 0 401.529 -1.041 20 0 HAADRP [NH3+]CCOCCOCCOCCOCCOCCNS(=O)(=O)[C@H]1CC[NH2+]C1 ZINC001238596530 1072292083 /nfs/dbraw/zinc/29/20/83/1072292083.db2.gz VXLLFCCLDOGEED-INIZCTEOSA-N 2 0 413.537 -1.691 20 0 HAADRP [NH3+]CCOCCOCCOCCOCCOCCNS(=O)(=O)[C@@H]1CC[NH2+]C1 ZINC001238596535 1072291978 /nfs/dbraw/zinc/29/19/78/1072291978.db2.gz VXLLFCCLDOGEED-MRXNPFEDSA-N 2 0 413.537 -1.691 20 0 HAADRP O=C([C@@H]1C[C@H](N2CCN(S(=O)(=O)[C@H]3CC[NH2+]C3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001239126805 1072294290 /nfs/dbraw/zinc/29/42/90/1072294290.db2.gz GPJMCLDRNIGXAI-KKUMJFAQSA-N 2 0 421.514 -1.106 20 0 HAADRP O=C([C@@H]1C[C@H](N2CCN(S(=O)(=O)[C@@H]3CC[NH2+]C3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001239126806 1072294282 /nfs/dbraw/zinc/29/42/82/1072294282.db2.gz GPJMCLDRNIGXAI-ZNMIVQPWSA-N 2 0 421.514 -1.106 20 0 HAADRP CS(=O)(=O)c1ccccc1S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001239130461 1072294270 /nfs/dbraw/zinc/29/42/70/1072294270.db2.gz BMMXKLMQHRNHBO-UHFFFAOYSA-N 2 0 406.530 -1.105 20 0 HAADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)c1ccc(N2CCOCC2)nc1 ZINC001239130852 1072294238 /nfs/dbraw/zinc/29/42/38/1072294238.db2.gz HKDLWRDAXUBHJO-UHFFFAOYSA-N 2 0 414.532 -1.277 20 0 HAADRP CS(=O)(=O)c1ccc(S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])cc1 ZINC001239131371 1072294303 /nfs/dbraw/zinc/29/43/03/1072294303.db2.gz NLEIYTRFADXAJK-UHFFFAOYSA-N 2 0 406.530 -1.105 20 0 HAADRP CS(=O)(=O)c1cccc(S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])c1 ZINC001239131512 1072294152 /nfs/dbraw/zinc/29/41/52/1072294152.db2.gz PFVJMPCPOKJGKF-UHFFFAOYSA-N 2 0 406.530 -1.105 20 0 HAADRP COC(=O)c1cc(S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])ccc1O ZINC001239131819 1072294057 /nfs/dbraw/zinc/29/40/57/1072294057.db2.gz VDFMKCWUGLGULE-UHFFFAOYSA-N 2 0 402.473 -1.017 20 0 HAADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)c1nc2nc(Cl)ccn2n1 ZINC001239131941 1072294163 /nfs/dbraw/zinc/29/41/63/1072294163.db2.gz XOPFTQURGNOTRA-UHFFFAOYSA-N 2 0 404.884 -1.418 20 0 HAADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 ZINC001239132119 1072294089 /nfs/dbraw/zinc/29/40/89/1072294089.db2.gz ZXSXCRPNEGTLSU-UHFFFAOYSA-N 2 0 412.472 -1.155 20 0 HAADRP [NH3+]CCOCCOCCOCCOCCOCC[NH2+]C[C@H](O)CN1CCOCC1 ZINC001245993825 1072294649 /nfs/dbraw/zinc/29/46/49/1072294649.db2.gz NDSMPKOHOXHAEM-IBGZPJMESA-N 2 0 423.551 -1.689 20 0 HAADRP [NH3+]CCOCCOCCOCCOCCOCC[NH2+]C[C@@H](O)CN1CCOCC1 ZINC001245993891 1072294780 /nfs/dbraw/zinc/29/47/80/1072294780.db2.gz NDSMPKOHOXHAEM-LJQANCHMSA-N 2 0 423.551 -1.689 20 0 HAADRP CCOC(=O)C[C@H](O)C[NH2+]CCOCCOCCOCCOCCOCC[NH3+] ZINC001245997809 1072294631 /nfs/dbraw/zinc/29/46/31/1072294631.db2.gz ZHVQDGHPVQPWFZ-KRWDZBQOSA-N 2 0 410.508 -1.068 20 0 HAADRP O=C([C@H]1CCS(=O)(=O)[C@@H]2C[N@H+](CC3(O)CC[NH2+]CC3)C[C@@H]21)N1CCOCC1 ZINC001246041221 1072295162 /nfs/dbraw/zinc/29/51/62/1072295162.db2.gz SLNAZSHXXLFHIN-ARFHVFGLSA-N 2 0 401.529 -1.305 20 0 HAADRP O=C([C@@H]1CCS(=O)(=O)[C@@H]2C[N@H+](CC3(O)CC[NH2+]CC3)C[C@@H]21)N1CCOCC1 ZINC001246041222 1072295096 /nfs/dbraw/zinc/29/50/96/1072295096.db2.gz SLNAZSHXXLFHIN-BZUAXINKSA-N 2 0 401.529 -1.305 20 0 HAADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CC[NH2+]C1)c(N)nc2=O ZINC001246212210 1072295829 /nfs/dbraw/zinc/29/58/29/1072295829.db2.gz VRJMMCGKDHFZGY-AGIUHOORSA-N 2 0 423.474 -1.429 20 0 HAADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CC[NH2+]C1)c(N)nc2=O ZINC001246212217 1072295863 /nfs/dbraw/zinc/29/58/63/1072295863.db2.gz VRJMMCGKDHFZGY-AVGNSLFASA-N 2 0 423.474 -1.429 20 0 HAADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CC[NH2+]C1)c(N)nc2=O ZINC001246212220 1072295797 /nfs/dbraw/zinc/29/57/97/1072295797.db2.gz VRJMMCGKDHFZGY-FRRDWIJNSA-N 2 0 423.474 -1.429 20 0 HAADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CC[NH2+]C1)c(N)nc2=O ZINC001246212222 1072295907 /nfs/dbraw/zinc/29/59/07/1072295907.db2.gz VRJMMCGKDHFZGY-RWMBFGLXSA-N 2 0 423.474 -1.429 20 0 HAADRP [NH3+]CCOCCOCCOCCOCCN[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246216983 1072295973 /nfs/dbraw/zinc/29/59/73/1072295973.db2.gz OZLBGDIGUICLHH-IRXDYDNUSA-N 2 0 420.576 -1.136 20 0 HAADRP [NH3+]CCOCCOCCOCCOCCN[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246216994 1072295932 /nfs/dbraw/zinc/29/59/32/1072295932.db2.gz OZLBGDIGUICLHH-SJORKVTESA-N 2 0 420.576 -1.136 20 0 HAADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCOCCOCCOCCOCCOCC[NH3+])CN1 ZINC001246270627 1072295966 /nfs/dbraw/zinc/29/59/66/1072295966.db2.gz CDOHNXTWACLXNP-MSOLQXFVSA-N 2 0 421.535 -1.089 20 0 HAADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CCOCCOCCOCCOCCOCC[NH3+])CN1 ZINC001246270639 1072295921 /nfs/dbraw/zinc/29/59/21/1072295921.db2.gz CDOHNXTWACLXNP-ROUUACIJSA-N 2 0 421.535 -1.089 20 0 HAADRP COC(=O)[C@@H]1C[C@H]([NH2+]CCOCCOCCOCCOCCOCC[NH3+])CCN1 ZINC001246271166 1072295761 /nfs/dbraw/zinc/29/57/61/1072295761.db2.gz FQJVYMJXMOFLDV-MSOLQXFVSA-N 2 0 421.535 -1.089 20 0 HAADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CCOCCOCCOCCOCCOCC[NH3+])CCN1 ZINC001246271167 1072295857 /nfs/dbraw/zinc/29/58/57/1072295857.db2.gz FQJVYMJXMOFLDV-ROUUACIJSA-N 2 0 421.535 -1.089 20 0 HAADRP COC(=O)[C@H]1C[C@H]([NH2+]CCOCCOCCOCCOCCOCC[NH3+])CN1 ZINC001246271174 1072295957 /nfs/dbraw/zinc/29/59/57/1072295957.db2.gz FWPGVPZTKNAFAL-DLBZAZTESA-N 2 0 407.508 -1.479 20 0 HAADRP COC(=O)[C@H]1C[C@@H]([NH2+]CCOCCOCCOCCOCCOCC[NH3+])CN1 ZINC001246271225 1072295815 /nfs/dbraw/zinc/29/58/15/1072295815.db2.gz FWPGVPZTKNAFAL-IAGOWNOFSA-N 2 0 407.508 -1.479 20 0 HAADRP COC(=O)[C@@H]1C[C@H]([NH2+]CCOCCOCCOCCOCCOCC[NH3+])CN1 ZINC001246271227 1072295944 /nfs/dbraw/zinc/29/59/44/1072295944.db2.gz FWPGVPZTKNAFAL-IRXDYDNUSA-N 2 0 407.508 -1.479 20 0 HAADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CCOCCOCCOCCOCCOCC[NH3+])CN1 ZINC001246271229 1072295727 /nfs/dbraw/zinc/29/57/27/1072295727.db2.gz FWPGVPZTKNAFAL-SJORKVTESA-N 2 0 407.508 -1.479 20 0 HAADRP [NH3+]CCOCCOCCOCCOCCOCC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246273909 1072295846 /nfs/dbraw/zinc/29/58/46/1072295846.db2.gz MLJQREZQSUXBSK-GOSISDBHSA-N 3 0 404.552 -1.288 20 0 HAADRP [NH3+]CCOCCOCCOCCOCCOCC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246273910 1072296379 /nfs/dbraw/zinc/29/63/79/1072296379.db2.gz MLJQREZQSUXBSK-SFHVURJKSA-N 3 0 404.552 -1.288 20 0 HAADRP OCCOCCOCCOCCOCCOCC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246274807 1072296279 /nfs/dbraw/zinc/29/62/79/1072296279.db2.gz AOAIHLQNKUWHQG-GOSISDBHSA-N 2 0 405.536 -1.255 20 0 HAADRP OCCOCCOCCOCCOCCOCC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246274816 1072296336 /nfs/dbraw/zinc/29/63/36/1072296336.db2.gz AOAIHLQNKUWHQG-SFHVURJKSA-N 2 0 405.536 -1.255 20 0 HAADRP CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]([NH2+][C@@H]2CSC3(C[NH2+]C3)C2)[C@H]1O ZINC001246282767 1072296480 /nfs/dbraw/zinc/29/64/80/1072296480.db2.gz CTRQJNULXUJBRK-GCXGIZPZSA-N 2 0 421.527 -1.051 20 0 HAADRP CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]([NH2+][C@H]2CSC3(C[NH2+]C3)C2)[C@H]1O ZINC001246282777 1072296514 /nfs/dbraw/zinc/29/65/14/1072296514.db2.gz CTRQJNULXUJBRK-JZLXNPJKSA-N 2 0 421.527 -1.051 20 0 HAADRP [NH3+]CCOCCOCCOCCOCCOCCOCC[NH2+][C@@H]1CNC(=O)C1 ZINC001246342938 1072297007 /nfs/dbraw/zinc/29/70/07/1072297007.db2.gz CQCDOAXQGBTQIQ-KRWDZBQOSA-N 2 0 407.508 -1.477 20 0 HAADRP [NH3+]CCOCCOCCOCCOCCOCCOCC[NH2+][C@H]1CNC(=O)C1 ZINC001246342939 1072296801 /nfs/dbraw/zinc/29/68/01/1072296801.db2.gz CQCDOAXQGBTQIQ-QGZVFWFLSA-N 2 0 407.508 -1.477 20 0 HAADRP [NH3+]CCOCCOCCOCCOCCOCCOCC[NH2+][C@@H]1CCNC(=O)C1 ZINC001246348112 1072297051 /nfs/dbraw/zinc/29/70/51/1072297051.db2.gz UPTJJKALIBIVEK-GOSISDBHSA-N 2 0 421.535 -1.087 20 0 HAADRP [NH3+]CCOCCOCCOCCOCCOCCOCC[NH2+][C@H]1CCNC(=O)C1 ZINC001246348123 1072297020 /nfs/dbraw/zinc/29/70/20/1072297020.db2.gz UPTJJKALIBIVEK-SFHVURJKSA-N 2 0 421.535 -1.087 20 0 HAADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CNC(=O)C1)C(N)=O ZINC001246485450 1072297515 /nfs/dbraw/zinc/29/75/15/1072297515.db2.gz LRRKTEFIBGOVDG-AESZEHBQSA-N 2 0 424.546 -1.421 20 0 HAADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CNC(=O)C1)C(N)=O ZINC001246485463 1072297492 /nfs/dbraw/zinc/29/74/92/1072297492.db2.gz LRRKTEFIBGOVDG-JKQORVJESA-N 2 0 424.546 -1.421 20 0 HAADRP CNC(=O)[C@H](CCCNC(=[NH2+])N[C@H]1CCS(=O)(=O)C1)NC(=O)[C@@H]([NH3+])CC(C)C ZINC001246514249 1072298177 /nfs/dbraw/zinc/29/81/77/1072298177.db2.gz LSFINFYIPJLVPI-IHRRRGAJSA-N 2 0 418.564 -1.328 20 0 HAADRP CNC(=O)[C@H](CCCNC(=[NH2+])N[C@@H]1CCS(=O)(=O)C1)NC(=O)[C@@H]([NH3+])CC(C)C ZINC001246514256 1072298196 /nfs/dbraw/zinc/29/81/96/1072298196.db2.gz LSFINFYIPJLVPI-RDBSUJKOSA-N 2 0 418.564 -1.328 20 0 HAADRP O=C([C@H]1CCS(=O)(=O)[C@@H]2C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]21)N1CCOCC1 ZINC001246720211 1072298700 /nfs/dbraw/zinc/29/87/00/1072298700.db2.gz HZCYYBSQOCCTBF-MWDXBVQZSA-N 2 0 412.556 -1.326 20 0 HAADRP O=C([C@@H]1CCS(=O)(=O)[C@@H]2C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]21)N1CCOCC1 ZINC001246720216 1072298649 /nfs/dbraw/zinc/29/86/49/1072298649.db2.gz HZCYYBSQOCCTBF-QBPKDAKJSA-N 2 0 412.556 -1.326 20 0 HAADRP O=C([C@@H]1CCS(=O)(=O)[C@@H]2C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]21)N1CCOCC1 ZINC001246720217 1072298532 /nfs/dbraw/zinc/29/85/32/1072298532.db2.gz HZCYYBSQOCCTBF-YLFCFFPRSA-N 2 0 412.556 -1.326 20 0 HAADRP O=C([C@H]1CCS(=O)(=O)[C@@H]2C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]21)N1CCOCC1 ZINC001246720218 1072298713 /nfs/dbraw/zinc/29/87/13/1072298713.db2.gz HZCYYBSQOCCTBF-YYIAUSFCSA-N 2 0 412.556 -1.326 20 0 HAADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1[C@H]1CCNC2(C[NH2+]C2)C1)C(=O)NCC(N)=O ZINC001246833693 1072299667 /nfs/dbraw/zinc/29/96/67/1072299667.db2.gz PMPONFCHZZZODS-JYJNAYRXSA-N 2 0 408.547 -1.323 20 0 HAADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1)C(=O)NCC(N)=O ZINC001246833706 1072299599 /nfs/dbraw/zinc/29/95/99/1072299599.db2.gz PMPONFCHZZZODS-PMPSAXMXSA-N 2 0 408.547 -1.323 20 0 HAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCc1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001248546526 1072300694 /nfs/dbraw/zinc/30/06/94/1072300694.db2.gz DUHWSKWFQHWZSF-UHFFFAOYSA-N 2 0 402.415 -2.415 20 0 HAADRP C[NH+](C)Cc1ccc(-c2noc(CNC(=O)CNC(=O)CNC(=O)C[NH3+])n2)cc1 ZINC001248546768 1072300861 /nfs/dbraw/zinc/30/08/61/1072300861.db2.gz GOEDKPWTAXCISI-UHFFFAOYSA-N 2 0 403.443 -1.395 20 0 HAADRP NC(=O)CNC(=O)[C@H](Cc1cn([C@H]2CCCOC2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001254374720 1072321483 /nfs/dbraw/zinc/32/14/83/1072321483.db2.gz KCXBXQYKQKDPCO-JYJNAYRXSA-N 2 0 423.518 -1.680 20 0 HAADRP NC(=O)CNC(=O)[C@H](Cc1cn([C@@H]2CCCOC2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001254374723 1072321417 /nfs/dbraw/zinc/32/14/17/1072321417.db2.gz KCXBXQYKQKDPCO-PMPSAXMXSA-N 2 0 423.518 -1.680 20 0 HAADRP Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1[C@H]1CC2CC[NH+](CC2)C1 ZINC001254839916 1072323221 /nfs/dbraw/zinc/32/32/21/1072323221.db2.gz XVLGPSMZGLWFNG-GCXGIZPZSA-N 2 0 405.459 -1.590 20 0 HAADRP Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254839917 1072323373 /nfs/dbraw/zinc/32/33/73/1072323373.db2.gz XVLGPSMZGLWFNG-JZLXNPJKSA-N 2 0 405.459 -1.590 20 0 HAADRP NC(=O)CNC(=O)[C@H](Cc1cn(C2CCOCC2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001255038690 1072323788 /nfs/dbraw/zinc/32/37/88/1072323788.db2.gz OWISSCXOQYKRKR-HOTGVXAUSA-N 2 0 423.518 -1.680 20 0 HAADRP C[N@@H+]1CC[C@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001255426115 1072325018 /nfs/dbraw/zinc/32/50/18/1072325018.db2.gz LBAHONSASWUHDP-JYJNAYRXSA-N 3 0 422.534 -2.155 20 0 HAADRP C[N@@H+]1CC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001255426128 1072325266 /nfs/dbraw/zinc/32/52/66/1072325266.db2.gz LBAHONSASWUHDP-PMPSAXMXSA-N 3 0 422.534 -2.155 20 0 HAADRP COC[C@H](C)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001255567946 1072325704 /nfs/dbraw/zinc/32/57/04/1072325704.db2.gz NHFPNUOHEMEUGB-QEJZJMRPSA-N 2 0 411.507 -1.824 20 0 HAADRP COC[C@@H](C)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001255567947 1072325735 /nfs/dbraw/zinc/32/57/35/1072325735.db2.gz NHFPNUOHEMEUGB-SNPRPXQTSA-N 2 0 411.507 -1.824 20 0 HAADRP Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C1CC[NH+](C2CC2)CC1 ZINC001256068171 1072327573 /nfs/dbraw/zinc/32/75/73/1072327573.db2.gz ZQVIKDILMNAHDF-CTWCOEIASA-N 2 0 405.459 -1.448 20 0 HAADRP O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH2+]C2CCC([NH+]3CCOCC3)CC2)c(=O)[nH]1 ZINC001256683953 1072329137 /nfs/dbraw/zinc/32/91/37/1072329137.db2.gz JAXFFXHYBNYUMA-OQZSSHQSSA-N 2 0 410.471 -1.199 20 0 HAADRP CC(C)[NH+]1CCC(n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)CC1 ZINC001257204856 1072330244 /nfs/dbraw/zinc/33/02/44/1072330244.db2.gz BQRKTPUSWZSDQX-CTWCOEIASA-N 2 0 407.475 -1.202 20 0 HAADRP CCC[NH+]1CCC(n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)CC1 ZINC001258765780 1072332023 /nfs/dbraw/zinc/33/20/23/1072332023.db2.gz CKKFTLCXKPURFY-CTWCOEIASA-N 2 0 407.475 -1.200 20 0 HAADRP C[NH+]1CC[C@@](O)(CNS(=O)(=O)c2c[nH]c(C(=O)NC[C@@]3(O)CC[N@@H+](C)C3)c2)C1 ZINC001320220232 1072418143 /nfs/dbraw/zinc/41/81/43/1072418143.db2.gz XODVKRSRBOVBME-DLBZAZTESA-N 2 0 415.516 -1.844 20 0 HAADRP C[NH+]1CC[C@@](O)(CNS(=O)(=O)c2c[nH]c(C(=O)NC[C@]3(O)CC[N@@H+](C)C3)c2)C1 ZINC001320220235 1072418376 /nfs/dbraw/zinc/41/83/76/1072418376.db2.gz XODVKRSRBOVBME-IAGOWNOFSA-N 2 0 415.516 -1.844 20 0 HAADRP C[NH+]1CC[C@](O)(CNS(=O)(=O)c2c[nH]c(C(=O)NC[C@@]3(O)CC[N@@H+](C)C3)c2)C1 ZINC001320220237 1072418326 /nfs/dbraw/zinc/41/83/26/1072418326.db2.gz XODVKRSRBOVBME-IRXDYDNUSA-N 2 0 415.516 -1.844 20 0 HAADRP C[NH+]1CC[C@](O)(CNS(=O)(=O)c2c[nH]c(C(=O)NC[C@]3(O)CC[N@@H+](C)C3)c2)C1 ZINC001320220239 1072418241 /nfs/dbraw/zinc/41/82/41/1072418241.db2.gz XODVKRSRBOVBME-SJORKVTESA-N 2 0 415.516 -1.844 20 0 HAADRP O=C1NC(=O)[C@]2(CCC[NH+](CCOCC[N@H+]3CCC[C@@]4(C3)NC(=O)NC4=O)C2)N1 ZINC001320991455 1072425949 /nfs/dbraw/zinc/42/59/49/1072425949.db2.gz AIGIWCJWYHHKGP-HDICACEKSA-N 2 0 408.459 -1.649 20 0 HAADRP O=C1NC(=O)[C@]2(CCC[NH+](CCOCC[N@H+]3CCC[C@]4(C3)NC(=O)NC4=O)C2)N1 ZINC001320991489 1072425988 /nfs/dbraw/zinc/42/59/88/1072425988.db2.gz AIGIWCJWYHHKGP-QZTJIDSGSA-N 2 0 408.459 -1.649 20 0 HAADRP O=C1NC(=O)[C@@]2(CCC[NH+](CCOCC[N@H+]3CCC[C@@]4(C3)NC(=O)NC4=O)C2)N1 ZINC001320991493 1072425908 /nfs/dbraw/zinc/42/59/08/1072425908.db2.gz AIGIWCJWYHHKGP-ROUUACIJSA-N 2 0 408.459 -1.649 20 0 HAADRP C[C@@H]1CC(=O)C[C@H](C(=O)NC[C@]2(O)CC[NH+](C)C2)[C@@H]1C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC001321452010 1072429735 /nfs/dbraw/zinc/42/97/35/1072429735.db2.gz IEUOJQYAWJPMJK-JSRVAWGMSA-N 2 0 424.542 -1.417 20 0 HAADRP C[C@@H]1CC(=O)C[C@H](C(=O)NC[C@]2(O)CC[NH+](C)C2)[C@@H]1C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC001321452013 1072429301 /nfs/dbraw/zinc/42/93/01/1072429301.db2.gz IEUOJQYAWJPMJK-VNGVDIOXSA-N 2 0 424.542 -1.417 20 0 HAADRP C[C@@H]1CC(=O)C[C@H](C(=O)NC[C@]2(O)CC[NH+](C)C2)[C@H]1C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC001321452014 1072429623 /nfs/dbraw/zinc/42/96/23/1072429623.db2.gz IEUOJQYAWJPMJK-WGMOTNOQSA-N 2 0 424.542 -1.417 20 0 HAADRP C[C@@H]1CC(=O)C[C@H](C(=O)NC[C@]2(O)CC[NH+](C)C2)[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC001321452017 1072429501 /nfs/dbraw/zinc/42/95/01/1072429501.db2.gz IEUOJQYAWJPMJK-XHXDDVKMSA-N 2 0 424.542 -1.417 20 0 HAADRP COC(=O)CN(CCN1CC[NH+](C)CC1)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC001322602888 1072438189 /nfs/dbraw/zinc/43/81/89/1072438189.db2.gz XUKGSDIFCJSLHI-UHFFFAOYSA-N 2 0 410.519 -1.318 20 0 HAADRP C[C@H](CNC(=O)COCC(=O)NC[C@H](C)N1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC001322868503 1072439984 /nfs/dbraw/zinc/43/99/84/1072439984.db2.gz MVUSBSBMEZNSFC-HDICACEKSA-N 2 0 412.579 -1.493 20 0 HAADRP C[C@H](CNC(=O)COCC(=O)NC[C@@H](C)N1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC001322868514 1072439873 /nfs/dbraw/zinc/43/98/73/1072439873.db2.gz MVUSBSBMEZNSFC-QZTJIDSGSA-N 2 0 412.579 -1.493 20 0 HAADRP C[C@@H](CNC(=O)COCC(=O)NC[C@H](C)N1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC001322868518 1072439849 /nfs/dbraw/zinc/43/98/49/1072439849.db2.gz MVUSBSBMEZNSFC-ROUUACIJSA-N 2 0 412.579 -1.493 20 0 HAADRP NC(=O)C[C@@H]1CC[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CC[C@@H](CC(N)=O)C3)CC2)C1 ZINC001323482667 1072443252 /nfs/dbraw/zinc/44/32/52/1072443252.db2.gz KERVOVANHKCNLV-HOTGVXAUSA-N 2 0 422.530 -1.948 20 0 HAADRP NC(=O)C[C@H]1CC[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CC[C@H](CC(N)=O)C3)CC2)C1 ZINC001323482679 1072443087 /nfs/dbraw/zinc/44/30/87/1072443087.db2.gz KERVOVANHKCNLV-HZPDHXFCSA-N 2 0 422.530 -1.948 20 0 HAADRP NC(=O)C[C@H]1CC[N@H+](CC(=O)N2CCN(C(=O)C[NH+]3CC[C@@H](CC(N)=O)C3)CC2)C1 ZINC001323482681 1072443158 /nfs/dbraw/zinc/44/31/58/1072443158.db2.gz KERVOVANHKCNLV-IYBDPMFKSA-N 2 0 422.530 -1.948 20 0 HAADRP C[NH+](C)CCNC(=O)C1CC[NH+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)CC1 ZINC001559886753 1072613616 /nfs/dbraw/zinc/61/36/16/1072613616.db2.gz SGAATABFSTZBJA-UHFFFAOYSA-N 2 0 417.576 -1.084 20 0 HAADRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C[C@H]1C[NH+](C)C ZINC001561827609 1072617884 /nfs/dbraw/zinc/61/78/84/1072617884.db2.gz PRPFNYOWOJEORD-HUUCEWRRSA-N 2 0 411.594 -1.520 20 0 HAADRP C[NH+](C)C[C@@H]1CN(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C[C@H]1C[NH+](C)C ZINC001563878218 1072620374 /nfs/dbraw/zinc/62/03/74/1072620374.db2.gz BQWULDIUFFXWKV-IAGOWNOFSA-N 2 0 418.608 -1.056 20 0 HAADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)C[C@H]1C[NH+](C)C ZINC001587264199 1072640371 /nfs/dbraw/zinc/64/03/71/1072640371.db2.gz ONKOXDFLECEUMW-CHWSQXEVSA-N 2 0 415.516 -1.145 20 0 HAADRP C[NH+](C)C[C@@H]1CN(C(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)C[C@H]1C[NH+](C)C ZINC001643568921 1072731908 /nfs/dbraw/zinc/73/19/08/1072731908.db2.gz AWZXIQNBWNTSGX-CHWSQXEVSA-N 2 0 414.532 -1.410 20 0 HAADRP COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC001663033092 1072766397 /nfs/dbraw/zinc/76/63/97/1072766397.db2.gz QCLOBQSTFANTSY-UHFFFAOYSA-N 2 0 419.592 -1.324 20 0 HAADRP NC(=O)CN1CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1=O ZINC001667719450 1072774776 /nfs/dbraw/zinc/77/47/76/1072774776.db2.gz PFWYZUNWIDNEHV-UHFFFAOYSA-N 2 0 403.487 -1.067 20 0 HAADRP O=C(NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001678645548 1072786177 /nfs/dbraw/zinc/78/61/77/1072786177.db2.gz VRCQWCMPDZXHAD-CMKODMSKSA-N 2 0 411.547 -1.082 20 0 HAADRP O=C(NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001678645549 1072786035 /nfs/dbraw/zinc/78/60/35/1072786035.db2.gz VRCQWCMPDZXHAD-WSTZPKSXSA-N 2 0 411.547 -1.082 20 0 HAADRP