smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCO[C@H](C[NH+](C)C)C2)CC1 ZINC000332472467 1075504644 /nfs/dbraw/zinc/50/46/44/1075504644.db2.gz NPBFPEYYPBZOIW-CVEARBPZSA-N 1 3 395.504 -1.460 20 0 GAADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH+](C)C)C2)CC1 ZINC000332472468 1075504588 /nfs/dbraw/zinc/50/45/88/1075504588.db2.gz NPBFPEYYPBZOIW-HOTGVXAUSA-N 1 3 395.504 -1.460 20 0 GAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCO[C@H](C[NH+](C)C)C2)CC1 ZINC000332472469 1075504568 /nfs/dbraw/zinc/50/45/68/1075504568.db2.gz NPBFPEYYPBZOIW-HZPDHXFCSA-N 1 3 395.504 -1.460 20 0 GAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH+](C)C)C2)CC1 ZINC000332472470 1075504662 /nfs/dbraw/zinc/50/46/62/1075504662.db2.gz NPBFPEYYPBZOIW-JKSUJKDBSA-N 1 3 395.504 -1.460 20 0 GAADHO O=C(CN1C[C@@H](O)C2(CC2)C1)N1CCN(C(=O)C[N@H+]2C[C@H](O)C3(CC3)C2)CC1 ZINC000364451664 1075599524 /nfs/dbraw/zinc/59/95/24/1075599524.db2.gz YLAUQXGWBWRWGW-IYBDPMFKSA-N 1 3 392.500 -1.429 20 0 GAADHO O=C(CN1C[C@@H](O)C2(CC2)C1)N1CCN(C(=O)C[N@@H+]2C[C@H](O)C3(CC3)C2)CC1 ZINC000364451664 1075599521 /nfs/dbraw/zinc/59/95/21/1075599521.db2.gz YLAUQXGWBWRWGW-IYBDPMFKSA-N 1 3 392.500 -1.429 20 0 GAADHO O=C(CN1C[C@H](O)C2(CC2)C1)N1CCN(C(=O)C[N@H+]2C[C@@H](O)C3(CC3)C2)CC1 ZINC000364451664 1075599518 /nfs/dbraw/zinc/59/95/18/1075599518.db2.gz YLAUQXGWBWRWGW-IYBDPMFKSA-N 1 3 392.500 -1.429 20 0 GAADHO O=C(CN1C[C@H](O)C2(CC2)C1)N1CCN(C(=O)C[N@@H+]2C[C@@H](O)C3(CC3)C2)CC1 ZINC000364451664 1075599516 /nfs/dbraw/zinc/59/95/16/1075599516.db2.gz YLAUQXGWBWRWGW-IYBDPMFKSA-N 1 3 392.500 -1.429 20 0 GAADHO CC(C)Nc1nc(NCCO)nc(N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)n1 ZINC000367325288 1075621883 /nfs/dbraw/zinc/62/18/83/1075621883.db2.gz BUCDWAZBCVXRML-AWEZNQCLSA-N 1 3 392.508 -1.142 20 0 GAADHO CC(C)Nc1nc(NCCO)nc(N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)n1 ZINC000367325288 1075621881 /nfs/dbraw/zinc/62/18/81/1075621881.db2.gz BUCDWAZBCVXRML-AWEZNQCLSA-N 1 3 392.508 -1.142 20 0 GAADHO CC(C)Nc1nc(NCCO)nc(N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)n1 ZINC000367325289 1075621765 /nfs/dbraw/zinc/62/17/65/1075621765.db2.gz BUCDWAZBCVXRML-CQSZACIVSA-N 1 3 392.508 -1.142 20 0 GAADHO CC(C)Nc1nc(NCCO)nc(N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)n1 ZINC000367325289 1075621759 /nfs/dbraw/zinc/62/17/59/1075621759.db2.gz BUCDWAZBCVXRML-CQSZACIVSA-N 1 3 392.508 -1.142 20 0 GAADHO CC(C)Nc1nc(NCCO)nc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000367841736 1075622568 /nfs/dbraw/zinc/62/25/68/1075622568.db2.gz LBBNAKHWDYFTJD-AWEZNQCLSA-N 1 3 392.508 -1.317 20 0 GAADHO CC(C)Nc1nc(NCCO)nc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000367841736 1075622564 /nfs/dbraw/zinc/62/25/64/1075622564.db2.gz LBBNAKHWDYFTJD-AWEZNQCLSA-N 1 3 392.508 -1.317 20 0 GAADHO CC(C)Nc1nc(NCCO)nc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000367841737 1075622557 /nfs/dbraw/zinc/62/25/57/1075622557.db2.gz LBBNAKHWDYFTJD-CQSZACIVSA-N 1 3 392.508 -1.317 20 0 GAADHO CC(C)Nc1nc(NCCO)nc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000367841737 1075622546 /nfs/dbraw/zinc/62/25/46/1075622546.db2.gz LBBNAKHWDYFTJD-CQSZACIVSA-N 1 3 392.508 -1.317 20 0 GAADHO COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000410497959 1075647583 /nfs/dbraw/zinc/64/75/83/1075647583.db2.gz LXWUCEKTLUMIJV-INIZCTEOSA-N 1 3 397.520 -1.212 20 0 GAADHO COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000410497960 1075647690 /nfs/dbraw/zinc/64/76/90/1075647690.db2.gz LXWUCEKTLUMIJV-MRXNPFEDSA-N 1 3 397.520 -1.212 20 0 GAADHO COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000410506213 1075646771 /nfs/dbraw/zinc/64/67/71/1075646771.db2.gz WZSHJPYUZJBVJZ-UHFFFAOYSA-N 1 3 397.520 -1.210 20 0 GAADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000419345189 1073990349 /nfs/dbraw/zinc/99/03/49/1073990349.db2.gz KGLBZLPZVZJNMU-BFHYXJOUSA-N 1 3 383.493 -1.081 20 0 GAADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000419345189 1073990343 /nfs/dbraw/zinc/99/03/43/1073990343.db2.gz KGLBZLPZVZJNMU-BFHYXJOUSA-N 1 3 383.493 -1.081 20 0 GAADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000419345190 1073990924 /nfs/dbraw/zinc/99/09/24/1073990924.db2.gz KGLBZLPZVZJNMU-IHRRRGAJSA-N 1 3 383.493 -1.081 20 0 GAADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000419345190 1073990919 /nfs/dbraw/zinc/99/09/19/1073990919.db2.gz KGLBZLPZVZJNMU-IHRRRGAJSA-N 1 3 383.493 -1.081 20 0 GAADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000419345191 1073991015 /nfs/dbraw/zinc/99/10/15/1073991015.db2.gz KGLBZLPZVZJNMU-MELADBBJSA-N 1 3 383.493 -1.081 20 0 GAADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000419345191 1073991009 /nfs/dbraw/zinc/99/10/09/1073991009.db2.gz KGLBZLPZVZJNMU-MELADBBJSA-N 1 3 383.493 -1.081 20 0 GAADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000419345192 1073991101 /nfs/dbraw/zinc/99/11/01/1073991101.db2.gz KGLBZLPZVZJNMU-MJBXVCDLSA-N 1 3 383.493 -1.081 20 0 GAADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000419345192 1073991095 /nfs/dbraw/zinc/99/10/95/1073991095.db2.gz KGLBZLPZVZJNMU-MJBXVCDLSA-N 1 3 383.493 -1.081 20 0 GAADHO COc1cnccc1N1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000419860240 1074011443 /nfs/dbraw/zinc/01/14/43/1074011443.db2.gz BLTTZSDZWSEFKI-UHFFFAOYSA-N 1 3 376.461 -1.240 20 0 GAADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000419862615 1074011945 /nfs/dbraw/zinc/01/19/45/1074011945.db2.gz GZVIRKPHVVNRFI-UHFFFAOYSA-N 1 3 394.520 -1.836 20 0 GAADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000419864499 1074011709 /nfs/dbraw/zinc/01/17/09/1074011709.db2.gz JBXUQURTLRHIRA-INIZCTEOSA-N 1 3 394.520 -1.837 20 0 GAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000419864503 1074011868 /nfs/dbraw/zinc/01/18/68/1074011868.db2.gz JBXUQURTLRHIRA-MRXNPFEDSA-N 1 3 394.520 -1.837 20 0 GAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000419868674 1074011904 /nfs/dbraw/zinc/01/19/04/1074011904.db2.gz MFWUWMHADOEYBF-UHFFFAOYSA-N 1 3 382.509 -1.980 20 0 GAADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000419874275 1074012365 /nfs/dbraw/zinc/01/23/65/1074012365.db2.gz SUMBNALUYLTZOW-UHFFFAOYSA-N 1 3 380.493 -2.226 20 0 GAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000419876467 1074012778 /nfs/dbraw/zinc/01/27/78/1074012778.db2.gz VSIOCUJWDCTIBC-UHFFFAOYSA-N 1 3 396.536 -1.590 20 0 GAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000420216614 1074022346 /nfs/dbraw/zinc/02/23/46/1074022346.db2.gz MIJNAPSFFCOKKV-HNNXBMFYSA-N 1 3 383.493 -1.506 20 0 GAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000420216616 1074022250 /nfs/dbraw/zinc/02/22/50/1074022250.db2.gz MIJNAPSFFCOKKV-OAHLLOKOSA-N 1 3 383.493 -1.506 20 0 GAADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000423215377 1074046356 /nfs/dbraw/zinc/04/63/56/1074046356.db2.gz QNWSTEMGGRYBTD-CVEARBPZSA-N 1 3 397.520 -1.131 20 0 GAADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000423215378 1074046335 /nfs/dbraw/zinc/04/63/35/1074046335.db2.gz QNWSTEMGGRYBTD-HOTGVXAUSA-N 1 3 397.520 -1.131 20 0 GAADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000423215379 1074046255 /nfs/dbraw/zinc/04/62/55/1074046255.db2.gz QNWSTEMGGRYBTD-HZPDHXFCSA-N 1 3 397.520 -1.131 20 0 GAADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000423215380 1074046307 /nfs/dbraw/zinc/04/63/07/1074046307.db2.gz QNWSTEMGGRYBTD-JKSUJKDBSA-N 1 3 397.520 -1.131 20 0 GAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000423249573 1074047169 /nfs/dbraw/zinc/04/71/69/1074047169.db2.gz OVUCUOKWGFZWDG-HNNXBMFYSA-N 1 3 383.493 -1.425 20 0 GAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC1 ZINC000423249574 1074047136 /nfs/dbraw/zinc/04/71/36/1074047136.db2.gz OVUCUOKWGFZWDG-OAHLLOKOSA-N 1 3 383.493 -1.425 20 0 GAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])CC1 ZINC000423679105 1074058795 /nfs/dbraw/zinc/05/87/95/1074058795.db2.gz SZCMHPYXNZMOFD-CVEARBPZSA-N 1 3 397.520 -1.036 20 0 GAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])CC1 ZINC000423679106 1074058709 /nfs/dbraw/zinc/05/87/09/1074058709.db2.gz SZCMHPYXNZMOFD-HOTGVXAUSA-N 1 3 397.520 -1.036 20 0 GAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@@H](OC)C[C@@H]2C[NH3+])CC1 ZINC000423679107 1074058645 /nfs/dbraw/zinc/05/86/45/1074058645.db2.gz SZCMHPYXNZMOFD-HZPDHXFCSA-N 1 3 397.520 -1.036 20 0 GAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@@H](OC)C[C@H]2C[NH3+])CC1 ZINC000423679108 1074058593 /nfs/dbraw/zinc/05/85/93/1074058593.db2.gz SZCMHPYXNZMOFD-JKSUJKDBSA-N 1 3 397.520 -1.036 20 0 GAADHO COc1nc(NCCN2CCN(C)CC2)nc(NCCN2CC[NH+](C)CC2)n1 ZINC000426599284 1074145148 /nfs/dbraw/zinc/14/51/48/1074145148.db2.gz VJFIVUZYLKQCLB-UHFFFAOYSA-N 1 3 393.540 -1.957 20 0 GAADHO COc1nc(N2CCCN(CCO)CC2)nc(N2CCC[N@@H+](CCO)CC2)n1 ZINC000426898252 1074160403 /nfs/dbraw/zinc/16/04/03/1074160403.db2.gz KZQZEDWSKLXPPU-UHFFFAOYSA-N 1 3 395.508 -1.111 20 0 GAADHO COc1nc(N2CCCN(CCO)CC2)nc(N2CCC[N@H+](CCO)CC2)n1 ZINC000426898252 1074160398 /nfs/dbraw/zinc/16/03/98/1074160398.db2.gz KZQZEDWSKLXPPU-UHFFFAOYSA-N 1 3 395.508 -1.111 20 0 GAADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)NC[C@H](C)S(N)(=O)=O ZINC000439227210 1074127497 /nfs/dbraw/zinc/12/74/97/1074127497.db2.gz YCNZKVKEZRUULC-KBPBESRZSA-N 1 3 391.538 -1.346 20 0 GAADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)NC[C@H](C)S(N)(=O)=O ZINC000439227210 1074127493 /nfs/dbraw/zinc/12/74/93/1074127493.db2.gz YCNZKVKEZRUULC-KBPBESRZSA-N 1 3 391.538 -1.346 20 0 GAADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O ZINC000439227211 1074127600 /nfs/dbraw/zinc/12/76/00/1074127600.db2.gz YCNZKVKEZRUULC-KGLIPLIRSA-N 1 3 391.538 -1.346 20 0 GAADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O ZINC000439227211 1074127594 /nfs/dbraw/zinc/12/75/94/1074127594.db2.gz YCNZKVKEZRUULC-KGLIPLIRSA-N 1 3 391.538 -1.346 20 0 GAADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)NC[C@H](C)S(N)(=O)=O ZINC000439227212 1074128239 /nfs/dbraw/zinc/12/82/39/1074128239.db2.gz YCNZKVKEZRUULC-UONOGXRCSA-N 1 3 391.538 -1.346 20 0 GAADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)NC[C@H](C)S(N)(=O)=O ZINC000439227212 1074128236 /nfs/dbraw/zinc/12/82/36/1074128236.db2.gz YCNZKVKEZRUULC-UONOGXRCSA-N 1 3 391.538 -1.346 20 0 GAADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O ZINC000439227213 1074128168 /nfs/dbraw/zinc/12/81/68/1074128168.db2.gz YCNZKVKEZRUULC-ZIAGYGMSSA-N 1 3 391.538 -1.346 20 0 GAADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O ZINC000439227213 1074128165 /nfs/dbraw/zinc/12/81/65/1074128165.db2.gz YCNZKVKEZRUULC-ZIAGYGMSSA-N 1 3 391.538 -1.346 20 0 GAADHO CNc1nc(N2CCCN(CCO)CC2)nc(N2CCC[N@@H+](CCO)CC2)n1 ZINC000467769405 1075676667 /nfs/dbraw/zinc/67/66/67/1075676667.db2.gz NXBQSBDDTONKTN-UHFFFAOYSA-N 1 3 394.524 -1.656 20 0 GAADHO CNc1nc(N2CCCN(CCO)CC2)nc(N2CCC[N@H+](CCO)CC2)n1 ZINC000467769405 1075676666 /nfs/dbraw/zinc/67/66/66/1075676666.db2.gz NXBQSBDDTONKTN-UHFFFAOYSA-N 1 3 394.524 -1.656 20 0 GAADHO C[NH+](C)C[C@](C)(O)CNc1cc(=NC[C@](C)(O)C[NH+](C)C)nc2nc[n-]n21 ZINC000480093609 1074823157 /nfs/dbraw/zinc/82/31/57/1074823157.db2.gz QDFKWIXQDNWTLX-DLBZAZTESA-N 1 3 380.497 -1.005 20 0 GAADHO C[NH+](C)C[C@](C)(O)CN=c1cc(NC[C@@](C)(O)C[NH+](C)C)n2[n-]cnc2n1 ZINC000480093614 1074823081 /nfs/dbraw/zinc/82/30/81/1074823081.db2.gz QDFKWIXQDNWTLX-IAGOWNOFSA-N 1 3 380.497 -1.005 20 0 GAADHO C[NH+](C)C[C@@](C)(O)CN=c1cc(NC[C@](C)(O)C[NH+](C)C)n2[n-]cnc2n1 ZINC000480093615 1074823222 /nfs/dbraw/zinc/82/32/22/1074823222.db2.gz QDFKWIXQDNWTLX-IRXDYDNUSA-N 1 3 380.497 -1.005 20 0 GAADHO C[NH+](C)C[C@](C)(O)CN=c1cc(NC[C@](C)(O)C[NH+](C)C)n2[n-]cnc2n1 ZINC000480093617 1074823165 /nfs/dbraw/zinc/82/31/65/1074823165.db2.gz QDFKWIXQDNWTLX-SJORKVTESA-N 1 3 380.497 -1.005 20 0 GAADHO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCCN2CCCC2)cn1 ZINC000490460806 1074503341 /nfs/dbraw/zinc/50/33/41/1074503341.db2.gz XVUPYIUVORGCMU-UHFFFAOYSA-N 1 3 379.465 -1.289 20 0 GAADHO COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000509717857 1074586935 /nfs/dbraw/zinc/58/69/35/1074586935.db2.gz WJMVJFTXGKQUSM-INIZCTEOSA-N 1 3 397.520 -1.164 20 0 GAADHO COCCC[N@H+](C)CCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000509717857 1074586923 /nfs/dbraw/zinc/58/69/23/1074586923.db2.gz WJMVJFTXGKQUSM-INIZCTEOSA-N 1 3 397.520 -1.164 20 0 GAADHO COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000509717864 1074587165 /nfs/dbraw/zinc/58/71/65/1074587165.db2.gz WJMVJFTXGKQUSM-MRXNPFEDSA-N 1 3 397.520 -1.164 20 0 GAADHO COCCC[N@H+](C)CCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000509717864 1074587159 /nfs/dbraw/zinc/58/71/59/1074587159.db2.gz WJMVJFTXGKQUSM-MRXNPFEDSA-N 1 3 397.520 -1.164 20 0 GAADHO COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000509718214 1074587564 /nfs/dbraw/zinc/58/75/64/1074587564.db2.gz XRRIKTHXENXVFL-UHFFFAOYSA-N 1 3 397.520 -1.163 20 0 GAADHO COCCC[N@H+](C)CCNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000509718214 1074587556 /nfs/dbraw/zinc/58/75/56/1074587556.db2.gz XRRIKTHXENXVFL-UHFFFAOYSA-N 1 3 397.520 -1.163 20 0 GAADHO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000515312714 1074087282 /nfs/dbraw/zinc/08/72/82/1074087282.db2.gz XLGNHLCJCSXBQN-CVEARBPZSA-N 1 3 395.504 -1.238 20 0 GAADHO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000515312715 1074087168 /nfs/dbraw/zinc/08/71/68/1074087168.db2.gz XLGNHLCJCSXBQN-HOTGVXAUSA-N 1 3 395.504 -1.238 20 0 GAADHO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000515312716 1074087693 /nfs/dbraw/zinc/08/76/93/1074087693.db2.gz XLGNHLCJCSXBQN-HZPDHXFCSA-N 1 3 395.504 -1.238 20 0 GAADHO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000515312717 1074087739 /nfs/dbraw/zinc/08/77/39/1074087739.db2.gz XLGNHLCJCSXBQN-JKSUJKDBSA-N 1 3 395.504 -1.238 20 0 GAADHO CC[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C(=O)N1CCOCC1 ZINC000516505120 1074098229 /nfs/dbraw/zinc/09/82/29/1074098229.db2.gz PFBVFSXAUUDFTP-HNNXBMFYSA-N 1 3 385.509 -1.308 20 0 GAADHO CC[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C(=O)N1CCOCC1 ZINC000516505121 1074098101 /nfs/dbraw/zinc/09/81/01/1074098101.db2.gz PFBVFSXAUUDFTP-OAHLLOKOSA-N 1 3 385.509 -1.308 20 0 GAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000516562175 1074099558 /nfs/dbraw/zinc/09/95/58/1074099558.db2.gz CYBKKOYLCIDSEQ-ARFHVFGLSA-N 1 3 377.489 -1.181 20 0 GAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000516562176 1074099381 /nfs/dbraw/zinc/09/93/81/1074099381.db2.gz CYBKKOYLCIDSEQ-BZUAXINKSA-N 1 3 377.489 -1.181 20 0 GAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000516562177 1074099632 /nfs/dbraw/zinc/09/96/32/1074099632.db2.gz CYBKKOYLCIDSEQ-HRCADAONSA-N 1 3 377.489 -1.181 20 0 GAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000516562178 1074099474 /nfs/dbraw/zinc/09/94/74/1074099474.db2.gz CYBKKOYLCIDSEQ-OWCLPIDISA-N 1 3 377.489 -1.181 20 0 GAADHO CN(C)[C@H]1CN(C(=O)[C@H]2CCC[C@H]2C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C[C@@H]1O ZINC000518560473 1074128139 /nfs/dbraw/zinc/12/81/39/1074128139.db2.gz AENOBSFZGIKYGC-FQMQPWHVSA-N 1 3 382.505 -1.331 20 0 GAADHO CN(C)[C@H]1CN(C(=O)[C@@H]2CCC[C@@H]2C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C[C@@H]1O ZINC000518560473 1074128135 /nfs/dbraw/zinc/12/81/35/1074128135.db2.gz AENOBSFZGIKYGC-FQMQPWHVSA-N 1 3 382.505 -1.331 20 0 GAADHO CN(C)[C@H]1CN(C(=O)[C@H]2CCC[C@@H]2C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C[C@@H]1O 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C[C@@H]1CCN(CCNC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000532020011 1074276754 /nfs/dbraw/zinc/27/67/54/1074276754.db2.gz KNFJWPGHPSDIPP-CQSZACIVSA-N 1 3 393.492 -1.043 20 0 GAADHO CN1CCN(C(=O)CCN2CC[NH+](CCC(=O)N3CCN(C)CC3)CC2)CC1 ZINC000548913363 1073733066 /nfs/dbraw/zinc/73/30/66/1073733066.db2.gz SILCRUTUYVAXHG-UHFFFAOYSA-N 1 3 394.564 -1.068 20 0 GAADHO CC[NH+](CC)CC(=O)N1CCN(c2nc(NCCO)nc(NC(C)C)n2)CC1 ZINC000550786879 1074341466 /nfs/dbraw/zinc/34/14/66/1074341466.db2.gz YPZOTESLRQBOAW-UHFFFAOYSA-N 1 3 394.524 -1.070 20 0 GAADHO CC(C)Nc1nc(NCCO)nc(NC2CC[NH+](CCC(=O)N(C)C)CC2)n1 ZINC000553386740 1074384084 /nfs/dbraw/zinc/38/40/84/1074384084.db2.gz BAUSYZLIUQVLML-UHFFFAOYSA-N 1 3 394.524 -1.284 20 0 GAADHO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000554044793 1074389413 /nfs/dbraw/zinc/38/94/13/1074389413.db2.gz XJHFGEPFBMXDDQ-DLBZAZTESA-N 1 3 381.521 -1.081 20 0 GAADHO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000554044793 1074389404 /nfs/dbraw/zinc/38/94/04/1074389404.db2.gz XJHFGEPFBMXDDQ-DLBZAZTESA-N 1 3 381.521 -1.081 20 0 GAADHO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000554044797 1074389454 /nfs/dbraw/zinc/38/94/54/1074389454.db2.gz XJHFGEPFBMXDDQ-IRXDYDNUSA-N 1 3 381.521 -1.081 20 0 GAADHO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000554044797 1074389444 /nfs/dbraw/zinc/38/94/44/1074389444.db2.gz XJHFGEPFBMXDDQ-IRXDYDNUSA-N 1 3 381.521 -1.081 20 0 GAADHO C[C@H]1CN(C(=O)C(=O)NCCCCN2CCN(CCO)CC2)C[C@H]1[NH+](C)C ZINC000554198618 1074391608 /nfs/dbraw/zinc/39/16/08/1074391608.db2.gz ASALAPWCPAKTMK-DLBZAZTESA-N 1 3 383.537 -1.099 20 0 GAADHO C[C@@H]1CN(C(=O)C(=O)NCCCCN2CCN(CCO)CC2)C[C@H]1[NH+](C)C ZINC000554198619 1074390915 /nfs/dbraw/zinc/39/09/15/1074390915.db2.gz ASALAPWCPAKTMK-IAGOWNOFSA-N 1 3 383.537 -1.099 20 0 GAADHO C[C@H]1CN(C(=O)C(=O)NCCCCN2CCN(CCO)CC2)C[C@@H]1[NH+](C)C ZINC000554198620 1074391083 /nfs/dbraw/zinc/39/10/83/1074391083.db2.gz 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CC(C)Nc1nc(NCCO)nc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1 ZINC000557566205 1075695161 /nfs/dbraw/zinc/69/51/61/1075695161.db2.gz PVLJBDSMZSLSES-UHFFFAOYSA-N 1 3 392.508 -1.316 20 0 GAADHO COCC(=O)N1CCC(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000560251188 1075706267 /nfs/dbraw/zinc/70/62/67/1075706267.db2.gz JTWJTEQPAAZQCS-UHFFFAOYSA-N 1 3 385.509 -1.308 20 0 GAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000560637466 1074584773 /nfs/dbraw/zinc/58/47/73/1074584773.db2.gz FTBICQQJGXSNPH-UHFFFAOYSA-N 1 3 398.537 -1.279 20 0 GAADHO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1CN(C)CCN1C ZINC000562010282 1075714929 /nfs/dbraw/zinc/71/49/29/1075714929.db2.gz PBLBFIYFTKMTQV-KRWDZBQOSA-N 1 3 382.553 -1.167 20 0 GAADHO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1CN(C)CCN1C ZINC000562010283 1075714969 /nfs/dbraw/zinc/71/49/69/1075714969.db2.gz PBLBFIYFTKMTQV-QGZVFWFLSA-N 1 3 382.553 -1.167 20 0 GAADHO C[N@H+]1CCN(CCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1(C)C ZINC000563453467 1075722576 /nfs/dbraw/zinc/72/25/76/1075722576.db2.gz CHJZZPMOURNZCB-KBPBESRZSA-N 1 3 380.493 -2.101 20 0 GAADHO C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1(C)C ZINC000563453467 1075722568 /nfs/dbraw/zinc/72/25/68/1075722568.db2.gz CHJZZPMOURNZCB-KBPBESRZSA-N 1 3 380.493 -2.101 20 0 GAADHO C[N@H+]1CCN(CCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1(C)C ZINC000563453476 1075722470 /nfs/dbraw/zinc/72/24/70/1075722470.db2.gz CHJZZPMOURNZCB-KGLIPLIRSA-N 1 3 380.493 -2.101 20 0 GAADHO C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1(C)C ZINC000563453476 1075722467 /nfs/dbraw/zinc/72/24/67/1075722467.db2.gz CHJZZPMOURNZCB-KGLIPLIRSA-N 1 3 380.493 -2.101 20 0 GAADHO C[N@H+]1CCN(CCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1(C)C ZINC000563453477 1075722523 /nfs/dbraw/zinc/72/25/23/1075722523.db2.gz CHJZZPMOURNZCB-UONOGXRCSA-N 1 3 380.493 -2.101 20 0 GAADHO C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1(C)C ZINC000563453477 1075722519 /nfs/dbraw/zinc/72/25/19/1075722519.db2.gz CHJZZPMOURNZCB-UONOGXRCSA-N 1 3 380.493 -2.101 20 0 GAADHO C[N@H+]1CCN(CCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1(C)C ZINC000563453479 1075722602 /nfs/dbraw/zinc/72/26/02/1075722602.db2.gz CHJZZPMOURNZCB-ZIAGYGMSSA-N 1 3 380.493 -2.101 20 0 GAADHO C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1(C)C ZINC000563453479 1075722594 /nfs/dbraw/zinc/72/25/94/1075722594.db2.gz CHJZZPMOURNZCB-ZIAGYGMSSA-N 1 3 380.493 -2.101 20 0 GAADHO CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000563870389 1075724803 /nfs/dbraw/zinc/72/48/03/1075724803.db2.gz ZLJRQJMFIKSAOW-AWEZNQCLSA-N 1 3 391.538 -1.522 20 0 GAADHO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000563870390 1075724723 /nfs/dbraw/zinc/72/47/23/1075724723.db2.gz ZLJRQJMFIKSAOW-CQSZACIVSA-N 1 3 391.538 -1.522 20 0 GAADHO CCNC(=O)CN1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000564711289 1073616292 /nfs/dbraw/zinc/61/62/92/1073616292.db2.gz UHMAQIZKEVWFJM-UHFFFAOYSA-N 1 3 384.525 -1.782 20 0 GAADHO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CCCO1 ZINC000565902448 1075732325 /nfs/dbraw/zinc/73/23/25/1075732325.db2.gz UNNPUSAONRNKGG-ILXRZTDVSA-N 1 3 381.477 -1.626 20 0 GAADHO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CCCO1 ZINC000565902448 1075732321 /nfs/dbraw/zinc/73/23/21/1075732321.db2.gz UNNPUSAONRNKGG-ILXRZTDVSA-N 1 3 381.477 -1.626 20 0 GAADHO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CCCO1 ZINC000565902449 1075732350 /nfs/dbraw/zinc/73/23/50/1075732350.db2.gz UNNPUSAONRNKGG-KFWWJZLASA-N 1 3 381.477 -1.626 20 0 GAADHO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CCCO1 ZINC000565902449 1075732346 /nfs/dbraw/zinc/73/23/46/1075732346.db2.gz UNNPUSAONRNKGG-KFWWJZLASA-N 1 3 381.477 -1.626 20 0 GAADHO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CCCO1 ZINC000565902450 1075732662 /nfs/dbraw/zinc/73/26/62/1075732662.db2.gz UNNPUSAONRNKGG-QLFBSQMISA-N 1 3 381.477 -1.626 20 0 GAADHO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CCCO1 ZINC000565902450 1075732657 /nfs/dbraw/zinc/73/26/57/1075732657.db2.gz UNNPUSAONRNKGG-QLFBSQMISA-N 1 3 381.477 -1.626 20 0 GAADHO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CCCO1 ZINC000565902451 1075732721 /nfs/dbraw/zinc/73/27/21/1075732721.db2.gz UNNPUSAONRNKGG-RBSFLKMASA-N 1 3 381.477 -1.626 20 0 GAADHO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CCCO1 ZINC000565902451 1075732715 /nfs/dbraw/zinc/73/27/15/1075732715.db2.gz UNNPUSAONRNKGG-RBSFLKMASA-N 1 3 381.477 -1.626 20 0 GAADHO CN(C)[C@H]1CN(C(=O)c2cncc(C(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)c2)C[C@@H]1O ZINC000566453145 1075733815 /nfs/dbraw/zinc/73/38/15/1075733815.db2.gz DABVVMDIGVLACB-QAETUUGQSA-N 1 3 391.472 -1.425 20 0 GAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000566959741 1075735938 /nfs/dbraw/zinc/73/59/38/1075735938.db2.gz MBHOJGHKBBPAAB-UHFFFAOYSA-N 1 3 393.492 -1.453 20 0 GAADHO C[NH+](C)C1(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)Cc2ccccc2C1 ZINC000568292836 1075740920 /nfs/dbraw/zinc/74/09/20/1075740920.db2.gz XGSZSNLAYHKHJC-DLBZAZTESA-N 1 3 399.495 -1.028 20 0 GAADHO C[NH+](C)C1(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)Cc2ccccc2C1 ZINC000568292837 1075740968 /nfs/dbraw/zinc/74/09/68/1075740968.db2.gz XGSZSNLAYHKHJC-IAGOWNOFSA-N 1 3 399.495 -1.028 20 0 GAADHO C[NH+](C)C1(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)Cc2ccccc2C1 ZINC000568292838 1075740957 /nfs/dbraw/zinc/74/09/57/1075740957.db2.gz XGSZSNLAYHKHJC-IRXDYDNUSA-N 1 3 399.495 -1.028 20 0 GAADHO C[NH+](C)C1(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)Cc2ccccc2C1 ZINC000568292839 1075740927 /nfs/dbraw/zinc/74/09/27/1075740927.db2.gz XGSZSNLAYHKHJC-SJORKVTESA-N 1 3 399.495 -1.028 20 0 GAADHO N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)CCN2C1=O ZINC000568534826 1075741521 /nfs/dbraw/zinc/74/15/21/1075741521.db2.gz FCTCWSNKZCWNFF-CABCVRRESA-N 1 3 393.488 -1.482 20 0 GAADHO N[C@H]1C[C@H]2CN(C(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)CCN2C1=O ZINC000568534827 1075741505 /nfs/dbraw/zinc/74/15/05/1075741505.db2.gz FCTCWSNKZCWNFF-GJZGRUSLSA-N 1 3 393.488 -1.482 20 0 GAADHO N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)CCN2C1=O ZINC000568534828 1075741558 /nfs/dbraw/zinc/74/15/58/1075741558.db2.gz FCTCWSNKZCWNFF-HUUCEWRRSA-N 1 3 393.488 -1.482 20 0 GAADHO N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)CCN2C1=O ZINC000568534829 1075741539 /nfs/dbraw/zinc/74/15/39/1075741539.db2.gz FCTCWSNKZCWNFF-LSDHHAIUSA-N 1 3 393.488 -1.482 20 0 GAADHO CN(C)[C@H]1CN(C(=O)c2ccc(C(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)nc2)C[C@@H]1O ZINC000568778559 1075742130 /nfs/dbraw/zinc/74/21/30/1075742130.db2.gz SBNJNIDAVQBNGV-QAETUUGQSA-N 1 3 391.472 -1.425 20 0 GAADHO CN(C)[C@H]1CN(C(=O)c2ccc(C(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)cn2)C[C@@H]1O ZINC000568778559 1075742126 /nfs/dbraw/zinc/74/21/26/1075742126.db2.gz SBNJNIDAVQBNGV-QAETUUGQSA-N 1 3 391.472 -1.425 20 0 GAADHO CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000569685331 1075744839 /nfs/dbraw/zinc/74/48/39/1075744839.db2.gz MPUWZJVDLHZPNV-AWEZNQCLSA-N 1 3 391.538 -1.522 20 0 GAADHO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000569685332 1075744678 /nfs/dbraw/zinc/74/46/78/1075744678.db2.gz MPUWZJVDLHZPNV-CQSZACIVSA-N 1 3 391.538 -1.522 20 0 GAADHO CC(C)Nc1nc(NCCO)nc(N2CC[NH+](CCC(=O)N(C)C)CC2)n1 ZINC000571070931 1074506233 /nfs/dbraw/zinc/50/62/33/1074506233.db2.gz ABXGIFYTSHSEEE-UHFFFAOYSA-N 1 3 380.497 -1.460 20 0 GAADHO CC(C)NC(=O)CN1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000572842804 1075750929 /nfs/dbraw/zinc/75/09/29/1075750929.db2.gz BEAZNEKMXISCHJ-UHFFFAOYSA-N 1 3 398.552 -1.393 20 0 GAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000573687177 1075752247 /nfs/dbraw/zinc/75/22/47/1075752247.db2.gz KGEBIKUCWNUXJN-UHFFFAOYSA-N 1 3 384.525 -1.654 20 0 GAADHO COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000573747160 1075752571 /nfs/dbraw/zinc/75/25/71/1075752571.db2.gz CLKFTIZTMMIIRT-UHFFFAOYSA-N 1 3 397.520 -1.163 20 0 GAADHO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000573747160 1075752567 /nfs/dbraw/zinc/75/25/67/1075752567.db2.gz CLKFTIZTMMIIRT-UHFFFAOYSA-N 1 3 397.520 -1.163 20 0 GAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000574366447 1075753502 /nfs/dbraw/zinc/75/35/02/1075753502.db2.gz SFENHMFALUOEDV-CQSZACIVSA-N 1 3 391.538 -1.522 20 0 GAADHO CN(C)[C@H]1CN(C(=O)Cc2occc2C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C[C@@H]1O ZINC000575194512 1074545558 /nfs/dbraw/zinc/54/55/58/1074545558.db2.gz JMGJNGUWMZOMDH-VGWMRTNUSA-N 1 3 394.472 -1.298 20 0 GAADHO CN(C)[C@H]1CN(C(=O)c2ccoc2CC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C[C@@H]1O ZINC000575194512 1074545554 /nfs/dbraw/zinc/54/55/54/1074545554.db2.gz JMGJNGUWMZOMDH-VGWMRTNUSA-N 1 3 394.472 -1.298 20 0 GAADHO N[C@@H]1C[C@@H]2CN(C(=O)NC[C@@H](N3CC[NH2+]CC3)C(F)(F)F)CCN2C1=O ZINC000575332070 1075755080 /nfs/dbraw/zinc/75/50/80/1075755080.db2.gz NMSKITWZBOVVPM-IJLUTSLNSA-N 1 3 378.399 -1.224 20 0 GAADHO N[C@@H]1C[C@H]2CN(C(=O)NC[C@@H](N3CC[NH2+]CC3)C(F)(F)F)CCN2C1=O ZINC000575332071 1075755101 /nfs/dbraw/zinc/75/51/01/1075755101.db2.gz NMSKITWZBOVVPM-QJPTWQEYSA-N 1 3 378.399 -1.224 20 0 GAADHO N[C@@H]1C[C@H]2CN(C(=O)NC[C@H](N3CC[NH2+]CC3)C(F)(F)F)CCN2C1=O ZINC000575332072 1075755042 /nfs/dbraw/zinc/75/50/42/1075755042.db2.gz NMSKITWZBOVVPM-TUAOUCFPSA-N 1 3 378.399 -1.224 20 0 GAADHO N[C@@H]1C[C@@H]2CN(C(=O)NC[C@H](N3CC[NH2+]CC3)C(F)(F)F)CCN2C1=O ZINC000575332073 1075755066 /nfs/dbraw/zinc/75/50/66/1075755066.db2.gz NMSKITWZBOVVPM-UTUOFQBUSA-N 1 3 378.399 -1.224 20 0 GAADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000575860084 1075755590 /nfs/dbraw/zinc/75/55/90/1075755590.db2.gz JLWAEVYRUCBDKZ-IBGZPJMESA-N 1 3 377.489 -1.035 20 0 GAADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000575860085 1075755571 /nfs/dbraw/zinc/75/55/71/1075755571.db2.gz JLWAEVYRUCBDKZ-LJQANCHMSA-N 1 3 377.489 -1.035 20 0 GAADHO COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000576296890 1075756978 /nfs/dbraw/zinc/75/69/78/1075756978.db2.gz FUXUPENGTCNFND-INIZCTEOSA-N 1 3 397.520 -1.164 20 0 GAADHO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000576296890 1075756972 /nfs/dbraw/zinc/75/69/72/1075756972.db2.gz FUXUPENGTCNFND-INIZCTEOSA-N 1 3 397.520 -1.164 20 0 GAADHO COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000576296891 1075757265 /nfs/dbraw/zinc/75/72/65/1075757265.db2.gz FUXUPENGTCNFND-MRXNPFEDSA-N 1 3 397.520 -1.164 20 0 GAADHO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000576296891 1075757261 /nfs/dbraw/zinc/75/72/61/1075757261.db2.gz FUXUPENGTCNFND-MRXNPFEDSA-N 1 3 397.520 -1.164 20 0 GAADHO CN(C)[C@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)C2)C[C@@H]1O ZINC000576835889 1075758723 /nfs/dbraw/zinc/75/87/23/1075758723.db2.gz CGZDZKGBFDKUSJ-FQMQPWHVSA-N 1 3 382.505 -1.331 20 0 GAADHO CN(C)[C@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)C2)C[C@@H]1O ZINC000576835889 1075758716 /nfs/dbraw/zinc/75/87/16/1075758716.db2.gz CGZDZKGBFDKUSJ-FQMQPWHVSA-N 1 3 382.505 -1.331 20 0 GAADHO C[NH+](C)CCOCCNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000577019570 1075759170 /nfs/dbraw/zinc/75/91/70/1075759170.db2.gz YAJPEPBYXGBSEQ-UHFFFAOYSA-N 1 3 383.493 -1.553 20 0 GAADHO CN(C)[C@H]1CN(C(=O)c2ccnc(C(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)c2)C[C@@H]1O ZINC000577767064 1075762792 /nfs/dbraw/zinc/76/27/92/1075762792.db2.gz QSNWQHVOOTZYQF-QAETUUGQSA-N 1 3 391.472 -1.425 20 0 GAADHO CN(C)[C@H]1CN(C(=O)c2cc(C(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)ccn2)C[C@@H]1O ZINC000577767064 1075762789 /nfs/dbraw/zinc/76/27/89/1075762789.db2.gz QSNWQHVOOTZYQF-QAETUUGQSA-N 1 3 391.472 -1.425 20 0 GAADHO CN1CCN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)[C@@H](C[NH3+])C1 ZINC000578314364 1075764938 /nfs/dbraw/zinc/76/49/38/1075764938.db2.gz SCLPVKPVQVGANM-HNNXBMFYSA-N 1 3 380.493 -2.146 20 0 GAADHO CN1CCN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)[C@H](C[NH3+])C1 ZINC000578314365 1075765020 /nfs/dbraw/zinc/76/50/20/1075765020.db2.gz SCLPVKPVQVGANM-OAHLLOKOSA-N 1 3 380.493 -2.146 20 0 GAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000578390783 1075765284 /nfs/dbraw/zinc/76/52/84/1075765284.db2.gz WPYOMVDZOXRDBH-HNNXBMFYSA-N 1 3 393.492 -1.407 20 0 GAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000578390784 1075765306 /nfs/dbraw/zinc/76/53/06/1075765306.db2.gz WPYOMVDZOXRDBH-OAHLLOKOSA-N 1 3 393.492 -1.407 20 0 GAADHO CC(C)[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)N1CCN(C)CC1 ZINC000579025496 1075767587 /nfs/dbraw/zinc/76/75/87/1075767587.db2.gz FGVMWTQOEMLSTE-JYJNAYRXSA-N 1 3 394.520 -1.855 20 0 GAADHO CC(C)[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)N1CCN(C)CC1 ZINC000579025497 1075767501 /nfs/dbraw/zinc/76/75/01/1075767501.db2.gz FGVMWTQOEMLSTE-OAGGEKHMSA-N 1 3 394.520 -1.855 20 0 GAADHO CC(C)[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)N1CCN(C)CC1 ZINC000579025498 1075767481 /nfs/dbraw/zinc/76/74/81/1075767481.db2.gz FGVMWTQOEMLSTE-PMPSAXMXSA-N 1 3 394.520 -1.855 20 0 GAADHO CC(C)[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)N1CCN(C)CC1 ZINC000579025499 1075767392 /nfs/dbraw/zinc/76/73/92/1075767392.db2.gz FGVMWTQOEMLSTE-XHSDSOJGSA-N 1 3 394.520 -1.855 20 0 GAADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000579099843 1075767814 /nfs/dbraw/zinc/76/78/14/1075767814.db2.gz BHKDWVDOCUNYKH-CABCVRRESA-N 1 3 380.493 -2.147 20 0 GAADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000579099844 1075767750 /nfs/dbraw/zinc/76/77/50/1075767750.db2.gz BHKDWVDOCUNYKH-GJZGRUSLSA-N 1 3 380.493 -2.147 20 0 GAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000579099845 1075767828 /nfs/dbraw/zinc/76/78/28/1075767828.db2.gz BHKDWVDOCUNYKH-HUUCEWRRSA-N 1 3 380.493 -2.147 20 0 GAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000579099846 1075767729 /nfs/dbraw/zinc/76/77/29/1075767729.db2.gz BHKDWVDOCUNYKH-LSDHHAIUSA-N 1 3 380.493 -2.147 20 0 GAADHO COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000579130439 1075767782 /nfs/dbraw/zinc/76/77/82/1075767782.db2.gz QFQACOGVULGJCL-DZGCQCFKSA-N 1 3 395.504 -1.238 20 0 GAADHO COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000579130440 1075767766 /nfs/dbraw/zinc/76/77/66/1075767766.db2.gz QFQACOGVULGJCL-HIFRSBDPSA-N 1 3 395.504 -1.238 20 0 GAADHO COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000579130441 1075767735 /nfs/dbraw/zinc/76/77/35/1075767735.db2.gz QFQACOGVULGJCL-UKRRQHHQSA-N 1 3 395.504 -1.238 20 0 GAADHO COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000579130442 1075767719 /nfs/dbraw/zinc/76/77/19/1075767719.db2.gz QFQACOGVULGJCL-ZFWWWQNUSA-N 1 3 395.504 -1.238 20 0 GAADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCOCC[NH+](C)C)CC1 ZINC000579755249 1073400999 /nfs/dbraw/zinc/40/09/99/1073400999.db2.gz KQYGGDONXDSLJW-HNNXBMFYSA-N 1 3 383.493 -1.554 20 0 GAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCOCC[NH+](C)C)CC1 ZINC000579755253 1073401077 /nfs/dbraw/zinc/40/10/77/1073401077.db2.gz KQYGGDONXDSLJW-OAHLLOKOSA-N 1 3 383.493 -1.554 20 0 GAADHO COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC2 ZINC000580243126 1073529445 /nfs/dbraw/zinc/52/94/45/1073529445.db2.gz HEMSBODEYQCNEK-AWEZNQCLSA-N 1 3 395.508 -1.193 20 0 GAADHO COCc1nc2n(n1)C[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC2 ZINC000580243127 1073529406 /nfs/dbraw/zinc/52/94/06/1073529406.db2.gz HEMSBODEYQCNEK-CQSZACIVSA-N 1 3 395.508 -1.193 20 0 GAADHO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000580451774 1073533986 /nfs/dbraw/zinc/53/39/86/1073533986.db2.gz LFAXPFYFIXHRRW-KBPBESRZSA-N 1 3 384.506 -1.006 20 0 GAADHO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000580451775 1073534194 /nfs/dbraw/zinc/53/41/94/1073534194.db2.gz LFAXPFYFIXHRRW-KGLIPLIRSA-N 1 3 384.506 -1.006 20 0 GAADHO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000580451776 1073534087 /nfs/dbraw/zinc/53/40/87/1073534087.db2.gz LFAXPFYFIXHRRW-UONOGXRCSA-N 1 3 384.506 -1.006 20 0 GAADHO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000580451777 1073533876 /nfs/dbraw/zinc/53/38/76/1073533876.db2.gz LFAXPFYFIXHRRW-ZIAGYGMSSA-N 1 3 384.506 -1.006 20 0 GAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000580887322 1073544265 /nfs/dbraw/zinc/54/42/65/1073544265.db2.gz NCDWTHOXIUEFLD-HNNXBMFYSA-N 1 3 382.509 -1.900 20 0 GAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000580887323 1073544229 /nfs/dbraw/zinc/54/42/29/1073544229.db2.gz NCDWTHOXIUEFLD-OAHLLOKOSA-N 1 3 382.509 -1.900 20 0 GAADHO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)N3CCN(C(=O)CN4CCCC4)CC3)C[C@@H]12 ZINC000581185048 1073550623 /nfs/dbraw/zinc/55/06/23/1073550623.db2.gz IFYBDGIBZQLVKP-ARFHVFGLSA-N 1 3 377.489 -1.051 20 0 GAADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CCN(C(=O)CN4CCCC4)CC3)C[C@@H]12 ZINC000581185049 1073550575 /nfs/dbraw/zinc/55/05/75/1073550575.db2.gz IFYBDGIBZQLVKP-BZUAXINKSA-N 1 3 377.489 -1.051 20 0 GAADHO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)N3CCN(C(=O)CN4CCCC4)CC3)C[C@H]12 ZINC000581185050 1073550665 /nfs/dbraw/zinc/55/06/65/1073550665.db2.gz IFYBDGIBZQLVKP-HRCADAONSA-N 1 3 377.489 -1.051 20 0 GAADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CCN(C(=O)CN4CCCC4)CC3)C[C@H]12 ZINC000581185051 1073550752 /nfs/dbraw/zinc/55/07/52/1073550752.db2.gz IFYBDGIBZQLVKP-OWCLPIDISA-N 1 3 377.489 -1.051 20 0 GAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000581601971 1073561348 /nfs/dbraw/zinc/56/13/48/1073561348.db2.gz IGMXMLCOJXYVDB-BEFAXECRSA-N 1 3 377.489 -1.037 20 0 GAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000581601972 1073561481 /nfs/dbraw/zinc/56/14/81/1073561481.db2.gz IGMXMLCOJXYVDB-DNVCBOLYSA-N 1 3 377.489 -1.037 20 0 GAADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000581601973 1073561613 /nfs/dbraw/zinc/56/16/13/1073561613.db2.gz IGMXMLCOJXYVDB-HNAYVOBHSA-N 1 3 377.489 -1.037 20 0 GAADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000581601974 1073561458 /nfs/dbraw/zinc/56/14/58/1073561458.db2.gz IGMXMLCOJXYVDB-KXBFYZLASA-N 1 3 377.489 -1.037 20 0 GAADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000582895266 1073606827 /nfs/dbraw/zinc/60/68/27/1073606827.db2.gz DZYJCSBADWRTNG-CABCVRRESA-N 1 3 382.509 -1.853 20 0 GAADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000582895270 1073606885 /nfs/dbraw/zinc/60/68/85/1073606885.db2.gz DZYJCSBADWRTNG-GJZGRUSLSA-N 1 3 382.509 -1.853 20 0 GAADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000582895271 1073606981 /nfs/dbraw/zinc/60/69/81/1073606981.db2.gz DZYJCSBADWRTNG-HUUCEWRRSA-N 1 3 382.509 -1.853 20 0 GAADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000582895272 1073606743 /nfs/dbraw/zinc/60/67/43/1073606743.db2.gz DZYJCSBADWRTNG-LSDHHAIUSA-N 1 3 382.509 -1.853 20 0 GAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000583308307 530107735 /nfs/dbraw/zinc/10/77/35/530107735.db2.gz CJNCCQBNEWVFCH-UHFFFAOYSA-N 1 3 377.511 -1.958 20 0 GAADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000583434915 1073618628 /nfs/dbraw/zinc/61/86/28/1073618628.db2.gz PUVDDCAUVKDWDW-CVEARBPZSA-N 1 3 377.489 -1.179 20 0 GAADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000583434916 1073618657 /nfs/dbraw/zinc/61/86/57/1073618657.db2.gz PUVDDCAUVKDWDW-HOTGVXAUSA-N 1 3 377.489 -1.179 20 0 GAADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC1 ZINC000583434917 1073618584 /nfs/dbraw/zinc/61/85/84/1073618584.db2.gz PUVDDCAUVKDWDW-HZPDHXFCSA-N 1 3 377.489 -1.179 20 0 GAADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000583434918 1073618514 /nfs/dbraw/zinc/61/85/14/1073618514.db2.gz PUVDDCAUVKDWDW-JKSUJKDBSA-N 1 3 377.489 -1.179 20 0 GAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000584158650 1073638595 /nfs/dbraw/zinc/63/85/95/1073638595.db2.gz QLQCCNIIDVKGBJ-UHFFFAOYSA-N 1 3 396.536 -1.639 20 0 GAADHO COC(=O)[C@@H]1C[C@H](O)CN(CCOCC[N@@H+]2C[C@H](C(=O)OC)C[C@H](O)C2)C1 ZINC000592208351 1074525528 /nfs/dbraw/zinc/52/55/28/1074525528.db2.gz SSMCCICTZWHFMQ-WCVJEAGWSA-N 1 3 388.461 -1.285 20 0 GAADHO COC(=O)[C@@H]1C[C@H](O)CN(CCOCC[N@H+]2C[C@H](C(=O)OC)C[C@H](O)C2)C1 ZINC000592208351 1074525521 /nfs/dbraw/zinc/52/55/21/1074525521.db2.gz SSMCCICTZWHFMQ-WCVJEAGWSA-N 1 3 388.461 -1.285 20 0 GAADHO N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCC3CC[NH+](CC4CC4)CC3)CCN2C1=O ZINC000595281547 1074543278 /nfs/dbraw/zinc/54/32/78/1074543278.db2.gz MUCIZPDGJRSPLT-CVEARBPZSA-N 1 3 377.489 -1.005 20 0 GAADHO N[C@H]1C[C@H]2CN(C(=O)C(=O)NCC3CC[NH+](CC4CC4)CC3)CCN2C1=O ZINC000595281548 1074543066 /nfs/dbraw/zinc/54/30/66/1074543066.db2.gz MUCIZPDGJRSPLT-HOTGVXAUSA-N 1 3 377.489 -1.005 20 0 GAADHO N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCC3CC[NH+](CC4CC4)CC3)CCN2C1=O ZINC000595281549 1073906017 /nfs/dbraw/zinc/90/60/17/1073906017.db2.gz MUCIZPDGJRSPLT-HZPDHXFCSA-N 1 3 377.489 -1.005 20 0 GAADHO N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCC3CC[NH+](CC4CC4)CC3)CCN2C1=O ZINC000595281550 1074543112 /nfs/dbraw/zinc/54/31/12/1074543112.db2.gz MUCIZPDGJRSPLT-JKSUJKDBSA-N 1 3 377.489 -1.005 20 0 GAADHO C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)C2)CC1 ZINC000595979211 1074547695 /nfs/dbraw/zinc/54/76/95/1074547695.db2.gz BZJNGQOPNOTJHC-BZUAXINKSA-N 1 3 377.489 -1.053 20 0 GAADHO C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)C2)CC1 ZINC000595979212 1074547446 /nfs/dbraw/zinc/54/74/46/1074547446.db2.gz BZJNGQOPNOTJHC-OAGGEKHMSA-N 1 3 377.489 -1.053 20 0 GAADHO C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)C2)CC1 ZINC000595979213 1074547666 /nfs/dbraw/zinc/54/76/66/1074547666.db2.gz BZJNGQOPNOTJHC-OWCLPIDISA-N 1 3 377.489 -1.053 20 0 GAADHO C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)C2)CC1 ZINC000595979214 1074547432 /nfs/dbraw/zinc/54/74/32/1074547432.db2.gz BZJNGQOPNOTJHC-PMPSAXMXSA-N 1 3 377.489 -1.053 20 0 GAADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000595979238 1074546523 /nfs/dbraw/zinc/54/65/23/1074546523.db2.gz CLXARGPZXNNDTJ-ARFHVFGLSA-N 1 3 377.489 -1.053 20 0 GAADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000595979238 1074546521 /nfs/dbraw/zinc/54/65/21/1074546521.db2.gz CLXARGPZXNNDTJ-ARFHVFGLSA-N 1 3 377.489 -1.053 20 0 GAADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000595979239 1074546554 /nfs/dbraw/zinc/54/65/54/1074546554.db2.gz CLXARGPZXNNDTJ-HRCADAONSA-N 1 3 377.489 -1.053 20 0 GAADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000595979239 1074546551 /nfs/dbraw/zinc/54/65/51/1074546551.db2.gz CLXARGPZXNNDTJ-HRCADAONSA-N 1 3 377.489 -1.053 20 0 GAADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000595979240 1074546692 /nfs/dbraw/zinc/54/66/92/1074546692.db2.gz CLXARGPZXNNDTJ-JYJNAYRXSA-N 1 3 377.489 -1.053 20 0 GAADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000595979240 1074546685 /nfs/dbraw/zinc/54/66/85/1074546685.db2.gz CLXARGPZXNNDTJ-JYJNAYRXSA-N 1 3 377.489 -1.053 20 0 GAADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000595979241 1074546514 /nfs/dbraw/zinc/54/65/14/1074546514.db2.gz CLXARGPZXNNDTJ-XHSDSOJGSA-N 1 3 377.489 -1.053 20 0 GAADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000595979241 1074546511 /nfs/dbraw/zinc/54/65/11/1074546511.db2.gz CLXARGPZXNNDTJ-XHSDSOJGSA-N 1 3 377.489 -1.053 20 0 GAADHO C[NH+](C)CCCOC1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000595981058 1074549924 /nfs/dbraw/zinc/54/99/24/1074549924.db2.gz NNBDPVJZGGRGIM-GDBMZVCRSA-N 1 3 395.504 -1.284 20 0 GAADHO C[NH+](C)CCCOC1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000595981059 1074549782 /nfs/dbraw/zinc/54/97/82/1074549782.db2.gz NNBDPVJZGGRGIM-GOEBONIOSA-N 1 3 395.504 -1.284 20 0 GAADHO C[NH+](C)CCCOC1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000595981060 1074550038 /nfs/dbraw/zinc/55/00/38/1074550038.db2.gz NNBDPVJZGGRGIM-HOCLYGCPSA-N 1 3 395.504 -1.284 20 0 GAADHO C[NH+](C)CCCOC1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000595981061 1074549730 /nfs/dbraw/zinc/54/97/30/1074549730.db2.gz NNBDPVJZGGRGIM-ZBFHGGJFSA-N 1 3 395.504 -1.284 20 0 GAADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000595983781 1074553545 /nfs/dbraw/zinc/55/35/45/1074553545.db2.gz ZOPNBXBWSXTOGQ-ARFHVFGLSA-N 1 3 395.504 -1.284 20 0 GAADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000595983782 1074553389 /nfs/dbraw/zinc/55/33/89/1074553389.db2.gz ZOPNBXBWSXTOGQ-BZUAXINKSA-N 1 3 395.504 -1.284 20 0 GAADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000595983783 1074553535 /nfs/dbraw/zinc/55/35/35/1074553535.db2.gz ZOPNBXBWSXTOGQ-OAGGEKHMSA-N 1 3 395.504 -1.284 20 0 GAADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000595983785 1074553602 /nfs/dbraw/zinc/55/36/02/1074553602.db2.gz ZOPNBXBWSXTOGQ-XHSDSOJGSA-N 1 3 395.504 -1.284 20 0 GAADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)CC2)C1 ZINC000595985504 1074554029 /nfs/dbraw/zinc/55/40/29/1074554029.db2.gz COTRPNPZFZEGQS-ARFHVFGLSA-N 1 3 392.504 -2.005 20 0 GAADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)CC2)C1 ZINC000595985504 1074554020 /nfs/dbraw/zinc/55/40/20/1074554020.db2.gz COTRPNPZFZEGQS-ARFHVFGLSA-N 1 3 392.504 -2.005 20 0 GAADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)CC2)C1 ZINC000595985505 1074554191 /nfs/dbraw/zinc/55/41/91/1074554191.db2.gz COTRPNPZFZEGQS-HRCADAONSA-N 1 3 392.504 -2.005 20 0 GAADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)CC2)C1 ZINC000595985505 1074554185 /nfs/dbraw/zinc/55/41/85/1074554185.db2.gz COTRPNPZFZEGQS-HRCADAONSA-N 1 3 392.504 -2.005 20 0 GAADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)CC2)C1 ZINC000595985506 1074554218 /nfs/dbraw/zinc/55/42/18/1074554218.db2.gz COTRPNPZFZEGQS-JYJNAYRXSA-N 1 3 392.504 -2.005 20 0 GAADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)CC2)C1 ZINC000595985506 1074554211 /nfs/dbraw/zinc/55/42/11/1074554211.db2.gz COTRPNPZFZEGQS-JYJNAYRXSA-N 1 3 392.504 -2.005 20 0 GAADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)CC2)C1 ZINC000595985507 1074554629 /nfs/dbraw/zinc/55/46/29/1074554629.db2.gz COTRPNPZFZEGQS-XHSDSOJGSA-N 1 3 392.504 -2.005 20 0 GAADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)CC2)C1 ZINC000595985507 1074554624 /nfs/dbraw/zinc/55/46/24/1074554624.db2.gz COTRPNPZFZEGQS-XHSDSOJGSA-N 1 3 392.504 -2.005 20 0 GAADHO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CCO1 ZINC000595988750 1074557184 /nfs/dbraw/zinc/55/71/84/1074557184.db2.gz CPNHMZKIAIXOMX-KFWWJZLASA-N 1 3 381.477 -1.674 20 0 GAADHO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CCO1 ZINC000595988751 1074557083 /nfs/dbraw/zinc/55/70/83/1074557083.db2.gz CPNHMZKIAIXOMX-RBSFLKMASA-N 1 3 381.477 -1.674 20 0 GAADHO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CCO1 ZINC000595988752 1074557176 /nfs/dbraw/zinc/55/71/76/1074557176.db2.gz CPNHMZKIAIXOMX-RRFJBIMHSA-N 1 3 381.477 -1.674 20 0 GAADHO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CCO1 ZINC000595988753 1074557047 /nfs/dbraw/zinc/55/70/47/1074557047.db2.gz CPNHMZKIAIXOMX-ZNMIVQPWSA-N 1 3 381.477 -1.674 20 0 GAADHO CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595991176 1074558652 /nfs/dbraw/zinc/55/86/52/1074558652.db2.gz MBLLZMAKBNFMLX-CABCVRRESA-N 1 3 383.493 -1.426 20 0 GAADHO CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595991177 1074558776 /nfs/dbraw/zinc/55/87/76/1074558776.db2.gz MBLLZMAKBNFMLX-GJZGRUSLSA-N 1 3 383.493 -1.426 20 0 GAADHO CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595991178 1074558713 /nfs/dbraw/zinc/55/87/13/1074558713.db2.gz MBLLZMAKBNFMLX-HUUCEWRRSA-N 1 3 383.493 -1.426 20 0 GAADHO CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595991179 1074558704 /nfs/dbraw/zinc/55/87/04/1074558704.db2.gz MBLLZMAKBNFMLX-LSDHHAIUSA-N 1 3 383.493 -1.426 20 0 GAADHO COC(=O)c1c(NCCN2CC[C@@H](O)C2)ncnc1NCC[N@H+]1CC[C@@H](O)C1 ZINC000599175968 1074572780 /nfs/dbraw/zinc/57/27/80/1074572780.db2.gz LMKRYCAOSZOPAS-ZIAGYGMSSA-N 1 3 394.476 -0.780 20 0 GAADHO COC(=O)c1c(NCCN2CC[C@@H](O)C2)ncnc1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000599175968 1074572773 /nfs/dbraw/zinc/57/27/73/1074572773.db2.gz LMKRYCAOSZOPAS-ZIAGYGMSSA-N 1 3 394.476 -0.780 20 0 GAADHO COC(=O)c1c(NCCN2CC[C@H](O)C2)ncnc1NCC[N@H+]1CC[C@H](O)C1 ZINC000599199461 1074573021 /nfs/dbraw/zinc/57/30/21/1074573021.db2.gz LMKRYCAOSZOPAS-KBPBESRZSA-N 1 3 394.476 -0.780 20 0 GAADHO COC(=O)c1c(NCCN2CC[C@H](O)C2)ncnc1NCC[N@@H+]1CC[C@H](O)C1 ZINC000599199461 1074573013 /nfs/dbraw/zinc/57/30/13/1074573013.db2.gz LMKRYCAOSZOPAS-KBPBESRZSA-N 1 3 394.476 -0.780 20 0 GAADHO CN(C)C[C@H](CO)NC(=O)c1cccc(C(=O)N[C@@H](CO)C[NH+](C)C)c1N ZINC000614846687 1074290841 /nfs/dbraw/zinc/29/08/41/1074290841.db2.gz HRQQRFLMFALVPT-CHWSQXEVSA-N 1 3 381.477 -1.427 20 0 GAADHO CN(C)C[C@@H](CO)NC(=O)c1cccc(C(=O)N[C@H](CO)C[NH+](C)C)c1N ZINC000614846688 1074290853 /nfs/dbraw/zinc/29/08/53/1074290853.db2.gz HRQQRFLMFALVPT-STQMWFEESA-N 1 3 381.477 -1.427 20 0 GAADHO CN(C)[C@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)O2)C[C@@H]1O ZINC000615079266 1074301579 /nfs/dbraw/zinc/30/15/79/1074301579.db2.gz QRFVAIVCDOOCMS-OJFNHCPVSA-N 1 3 384.477 -2.199 20 0 GAADHO CN(C)[C@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)O2)C[C@@H]1O ZINC000615079266 1074301573 /nfs/dbraw/zinc/30/15/73/1074301573.db2.gz QRFVAIVCDOOCMS-OJFNHCPVSA-N 1 3 384.477 -2.199 20 0 GAADHO CN(C)[C@H]1CN(C(=O)c2cc(C(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)n[nH]2)C[C@@H]1O ZINC000615079725 1074301504 /nfs/dbraw/zinc/30/15/04/1074301504.db2.gz XUQRXSWFNAGDNM-AJNGGQMLSA-N 1 3 380.449 -2.097 20 0 GAADHO CN(C)[C@H]1CN(C(=O)c2cc(C(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)[nH]n2)C[C@@H]1O ZINC000615079725 1074301496 /nfs/dbraw/zinc/30/14/96/1074301496.db2.gz XUQRXSWFNAGDNM-AJNGGQMLSA-N 1 3 380.449 -2.097 20 0 GAADHO CC1[C@H](C(=O)N2CCN3C[C@H](O)C[C@H]3C2)[C@H]1C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000616702874 1074684271 /nfs/dbraw/zinc/68/42/71/1074684271.db2.gz ILIYRWILJHFOFV-ARAZSQDJSA-N 1 3 392.500 -1.577 20 0 GAADHO CC1[C@H](C(=O)N2CCN3C[C@H](O)C[C@H]3C2)[C@H]1C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000616702874 1074684266 /nfs/dbraw/zinc/68/42/66/1074684266.db2.gz ILIYRWILJHFOFV-ARAZSQDJSA-N 1 3 392.500 -1.577 20 0 GAADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000617503643 1074686549 /nfs/dbraw/zinc/68/65/49/1074686549.db2.gz SDBGOXFFDTZJAF-ZDUSSCGKSA-N 1 3 393.492 -1.178 20 0 GAADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000617503643 1074686547 /nfs/dbraw/zinc/68/65/47/1074686547.db2.gz SDBGOXFFDTZJAF-ZDUSSCGKSA-N 1 3 393.492 -1.178 20 0 GAADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000617503746 1074686448 /nfs/dbraw/zinc/68/64/48/1074686448.db2.gz XIKGZNNWAIRNAM-ZDUSSCGKSA-N 1 3 393.492 -1.178 20 0 GAADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000617503746 1074686445 /nfs/dbraw/zinc/68/64/45/1074686445.db2.gz XIKGZNNWAIRNAM-ZDUSSCGKSA-N 1 3 393.492 -1.178 20 0 GAADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000617506344 530100912 /nfs/dbraw/zinc/10/09/12/530100912.db2.gz KJWUVOKZSMZCOA-HNNXBMFYSA-N 1 3 377.555 -1.048 20 0 GAADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000617506344 530100910 /nfs/dbraw/zinc/10/09/10/530100910.db2.gz KJWUVOKZSMZCOA-HNNXBMFYSA-N 1 3 377.555 -1.048 20 0 GAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(c2nccnn2)CC1 ZINC000625464683 1073552347 /nfs/dbraw/zinc/55/23/47/1073552347.db2.gz BHJRDWSQDRQXBK-UHFFFAOYSA-N 1 3 378.481 -1.528 20 0 GAADHO CNC(=O)NC[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000625466665 1074838258 /nfs/dbraw/zinc/83/82/58/1074838258.db2.gz YJQOIEVIAQGKBP-AWEZNQCLSA-N 1 3 386.497 -1.905 20 0 GAADHO CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000625466670 1074838418 /nfs/dbraw/zinc/83/84/18/1074838418.db2.gz YJQOIEVIAQGKBP-CQSZACIVSA-N 1 3 386.497 -1.905 20 0 GAADHO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC[C@H]3COCCN3)cn2)CC1 ZINC000627324061 1075772816 /nfs/dbraw/zinc/77/28/16/1075772816.db2.gz OYLGQFLPWMNVDF-HNNXBMFYSA-N 1 3 376.461 -1.446 20 0 GAADHO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC[C@@H]3COCCN3)cn2)CC1 ZINC000627324062 1075773273 /nfs/dbraw/zinc/77/32/73/1075773273.db2.gz OYLGQFLPWMNVDF-OAHLLOKOSA-N 1 3 376.461 -1.446 20 0 GAADHO C[NH+]1CCN(c2cc(CNC(=O)C(=O)NC[C@H]3COCCN3)ccn2)CC1 ZINC000627338385 1075774014 /nfs/dbraw/zinc/77/40/14/1075774014.db2.gz DQIYMUVZNQWXMJ-HNNXBMFYSA-N 1 3 376.461 -1.446 20 0 GAADHO C[NH+]1CCN(c2cc(CNC(=O)C(=O)NC[C@@H]3COCCN3)ccn2)CC1 ZINC000627338386 1075773885 /nfs/dbraw/zinc/77/38/85/1075773885.db2.gz DQIYMUVZNQWXMJ-OAHLLOKOSA-N 1 3 376.461 -1.446 20 0 GAADHO O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@H]1COCCN1 ZINC000627352548 1075774202 /nfs/dbraw/zinc/77/42/02/1075774202.db2.gz AJHCVSAYUTVSQF-INIZCTEOSA-N 1 3 390.488 -1.186 20 0 GAADHO O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@@H]1COCCN1 ZINC000627352549 1075774736 /nfs/dbraw/zinc/77/47/36/1075774736.db2.gz AJHCVSAYUTVSQF-MRXNPFEDSA-N 1 3 390.488 -1.186 20 0 GAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000627453183 1075777285 /nfs/dbraw/zinc/77/72/85/1075777285.db2.gz FPINLIGJHHZYDI-UHFFFAOYSA-N 1 3 383.493 -1.377 20 0 GAADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000627454024 1075777304 /nfs/dbraw/zinc/77/73/04/1075777304.db2.gz DYTJYYMNHILMMS-AWEZNQCLSA-N 1 3 381.477 -1.625 20 0 GAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000627454025 1075777262 /nfs/dbraw/zinc/77/72/62/1075777262.db2.gz DYTJYYMNHILMMS-CQSZACIVSA-N 1 3 381.477 -1.625 20 0 GAADHO [NH3+]C1(CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCOCC1 ZINC000627454159 1075777231 /nfs/dbraw/zinc/77/72/31/1075777231.db2.gz IXSDHNHVEZNJNJ-UHFFFAOYSA-N 1 3 381.477 -1.623 20 0 GAADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000629795714 1075789811 /nfs/dbraw/zinc/78/98/11/1075789811.db2.gz LORKCWFEFJOADK-UHFFFAOYSA-N 1 3 383.493 -1.553 20 0 GAADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000629801349 1075791220 /nfs/dbraw/zinc/79/12/20/1075791220.db2.gz JLHPJWCBWFNMLE-HNNXBMFYSA-N 1 3 383.493 -1.554 20 0 GAADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000629801350 1075791100 /nfs/dbraw/zinc/79/11/00/1075791100.db2.gz JLHPJWCBWFNMLE-OAHLLOKOSA-N 1 3 383.493 -1.554 20 0 GAADHO O=C([C@H]1CC[C@@H]1C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000633589677 1075801233 /nfs/dbraw/zinc/80/12/33/1075801233.db2.gz NKLXQRFNFRBZGU-ARAZSQDJSA-N 1 3 392.500 -1.433 20 0 GAADHO O=C([C@H]1CC[C@@H]1C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000633589677 1075801229 /nfs/dbraw/zinc/80/12/29/1075801229.db2.gz NKLXQRFNFRBZGU-ARAZSQDJSA-N 1 3 392.500 -1.433 20 0 GAADHO O=C([C@@H]1CC[C@H]1C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000633589678 1075801082 /nfs/dbraw/zinc/80/10/82/1075801082.db2.gz NKLXQRFNFRBZGU-DWMDIXPDSA-N 1 3 392.500 -1.433 20 0 GAADHO O=C([C@@H]1CC[C@H]1C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000633589678 1075801076 /nfs/dbraw/zinc/80/10/76/1075801076.db2.gz NKLXQRFNFRBZGU-DWMDIXPDSA-N 1 3 392.500 -1.433 20 0 GAADHO O=C(CN1C[C@@H]2COC[C@@H]2C1)N1CCN(C(=O)C[N@H+]2C[C@@H]3COC[C@@H]3C2)CC1 ZINC000634783426 1075802838 /nfs/dbraw/zinc/80/28/38/1075802838.db2.gz ZPOSSUXPQPUSCV-USTZCAOPSA-N 1 3 392.500 -1.186 20 0 GAADHO O=C(CN1C[C@@H]2COC[C@@H]2C1)N1CCN(C(=O)C[N@@H+]2C[C@@H]3COC[C@@H]3C2)CC1 ZINC000634783426 1075802836 /nfs/dbraw/zinc/80/28/36/1075802836.db2.gz ZPOSSUXPQPUSCV-USTZCAOPSA-N 1 3 392.500 -1.186 20 0 GAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC1CN(S(=O)(=O)N(C)C)C1 ZINC000637143390 1075806083 /nfs/dbraw/zinc/80/60/83/1075806083.db2.gz IGMMJJQETPUPMG-UHFFFAOYSA-N 1 3 392.526 -2.455 20 0 GAADHO O[C@H](CN1CCOCC1)C[N@@H+]1C[C@@H]2C[C@H]1CN2C[C@@H](O)CN1CCOCC1 ZINC000640048561 1075808757 /nfs/dbraw/zinc/80/87/57/1075808757.db2.gz DFVCUFXTDSFCSA-CADBVGFASA-N 1 3 384.521 -1.869 20 0 GAADHO O[C@H](CN1CCOCC1)C[N@H+]1C[C@@H]2C[C@H]1CN2C[C@@H](O)CN1CCOCC1 ZINC000640048561 1075808749 /nfs/dbraw/zinc/80/87/49/1075808749.db2.gz DFVCUFXTDSFCSA-CADBVGFASA-N 1 3 384.521 -1.869 20 0 GAADHO O[C@@H](CN1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](O)CN1CCOCC1)CN1CCOCC1 ZINC000640048561 1075808742 /nfs/dbraw/zinc/80/87/42/1075808742.db2.gz DFVCUFXTDSFCSA-CADBVGFASA-N 1 3 384.521 -1.869 20 0 GAADHO O[C@@H](CN1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](O)CN1CCOCC1)CN1CCOCC1 ZINC000640048561 1075808737 /nfs/dbraw/zinc/80/87/37/1075808737.db2.gz DFVCUFXTDSFCSA-CADBVGFASA-N 1 3 384.521 -1.869 20 0 GAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000643509635 1075814728 /nfs/dbraw/zinc/81/47/28/1075814728.db2.gz BHBRXUGKHRPDDE-CABCVRRESA-N 1 3 383.493 -1.426 20 0 GAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000643509636 1075814692 /nfs/dbraw/zinc/81/46/92/1075814692.db2.gz BHBRXUGKHRPDDE-GJZGRUSLSA-N 1 3 383.493 -1.426 20 0 GAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000643509637 1075814671 /nfs/dbraw/zinc/81/46/71/1075814671.db2.gz BHBRXUGKHRPDDE-HUUCEWRRSA-N 1 3 383.493 -1.426 20 0 GAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000643509638 1075814600 /nfs/dbraw/zinc/81/46/00/1075814600.db2.gz BHBRXUGKHRPDDE-LSDHHAIUSA-N 1 3 383.493 -1.426 20 0 GAADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CC1 ZINC000643509692 1075814680 /nfs/dbraw/zinc/81/46/80/1075814680.db2.gz KIYPNPDUMBOWTP-CVEARBPZSA-N 1 3 377.489 -1.037 20 0 GAADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CC1 ZINC000643509693 1075814587 /nfs/dbraw/zinc/81/45/87/1075814587.db2.gz KIYPNPDUMBOWTP-HOTGVXAUSA-N 1 3 377.489 -1.037 20 0 GAADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000643509694 1074361803 /nfs/dbraw/zinc/36/18/03/1074361803.db2.gz KIYPNPDUMBOWTP-HZPDHXFCSA-N 1 3 377.489 -1.037 20 0 GAADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000643509695 1075814741 /nfs/dbraw/zinc/81/47/41/1075814741.db2.gz KIYPNPDUMBOWTP-JKSUJKDBSA-N 1 3 377.489 -1.037 20 0 GAADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000643509706 1075814703 /nfs/dbraw/zinc/81/47/03/1075814703.db2.gz LZIKJXBTCLICJA-CVEARBPZSA-N 1 3 377.489 -1.179 20 0 GAADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000643509709 1074361673 /nfs/dbraw/zinc/36/16/73/1074361673.db2.gz LZIKJXBTCLICJA-JKSUJKDBSA-N 1 3 377.489 -1.179 20 0 GAADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000643509786 1075814569 /nfs/dbraw/zinc/81/45/69/1075814569.db2.gz TVTLEKRAVYRZAN-CVEARBPZSA-N 1 3 377.489 -1.037 20 0 GAADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000643509787 1075814722 /nfs/dbraw/zinc/81/47/22/1075814722.db2.gz TVTLEKRAVYRZAN-HOTGVXAUSA-N 1 3 377.489 -1.037 20 0 GAADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000643509788 1075814609 /nfs/dbraw/zinc/81/46/09/1075814609.db2.gz TVTLEKRAVYRZAN-HZPDHXFCSA-N 1 3 377.489 -1.037 20 0 GAADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000643509789 1075814736 /nfs/dbraw/zinc/81/47/36/1075814736.db2.gz TVTLEKRAVYRZAN-JKSUJKDBSA-N 1 3 377.489 -1.037 20 0 GAADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCO1 ZINC000643509795 1075814660 /nfs/dbraw/zinc/81/46/60/1075814660.db2.gz UZWILPMRLFXXHL-CABCVRRESA-N 1 3 381.477 -1.672 20 0 GAADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCO1 ZINC000643509796 1075814577 /nfs/dbraw/zinc/81/45/77/1075814577.db2.gz UZWILPMRLFXXHL-GJZGRUSLSA-N 1 3 381.477 -1.672 20 0 GAADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCO1 ZINC000643509797 1075814714 /nfs/dbraw/zinc/81/47/14/1075814714.db2.gz UZWILPMRLFXXHL-HUUCEWRRSA-N 1 3 381.477 -1.672 20 0 GAADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCO1 ZINC000643509798 1075814617 /nfs/dbraw/zinc/81/46/17/1075814617.db2.gz UZWILPMRLFXXHL-LSDHHAIUSA-N 1 3 381.477 -1.672 20 0 GAADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CCO1 ZINC000643542459 1073400860 /nfs/dbraw/zinc/40/08/60/1073400860.db2.gz ASUIUTOVANATHM-ZNMIVQPWSA-N 1 3 381.477 -1.674 20 0 GAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000643542466 1073400982 /nfs/dbraw/zinc/40/09/82/1073400982.db2.gz CCLHSLPHYNHUOQ-ARFHVFGLSA-N 1 3 377.489 -1.038 20 0 GAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000643542467 1073401097 /nfs/dbraw/zinc/40/10/97/1073401097.db2.gz CCLHSLPHYNHUOQ-BZUAXINKSA-N 1 3 377.489 -1.038 20 0 GAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000643542468 1073400972 /nfs/dbraw/zinc/40/09/72/1073400972.db2.gz CCLHSLPHYNHUOQ-HRCADAONSA-N 1 3 377.489 -1.038 20 0 GAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000643542469 1073400930 /nfs/dbraw/zinc/40/09/30/1073400930.db2.gz CCLHSLPHYNHUOQ-OWCLPIDISA-N 1 3 377.489 -1.038 20 0 GAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000643542519 1073400915 /nfs/dbraw/zinc/40/09/15/1073400915.db2.gz QBYSUSOFRZTDAS-ARFHVFGLSA-N 1 3 377.489 -1.181 20 0 GAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC1 ZINC000643542520 1073400895 /nfs/dbraw/zinc/40/08/95/1073400895.db2.gz QBYSUSOFRZTDAS-BZUAXINKSA-N 1 3 377.489 -1.181 20 0 GAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000643542521 1073400828 /nfs/dbraw/zinc/40/08/28/1073400828.db2.gz QBYSUSOFRZTDAS-HRCADAONSA-N 1 3 377.489 -1.181 20 0 GAADHO CN1C[C@@H]2CCN(C(=O)C(=O)Nc3cnn(CC(=O)NCC[NH+](C)C)c3)[C@@H]2C1 ZINC000645624703 1075817994 /nfs/dbraw/zinc/81/79/94/1075817994.db2.gz VQIOQQNSDYYQKM-DZGCQCFKSA-N 1 3 391.476 -1.338 20 0 GAADHO CN1C[C@H]2CCN(C(=O)C(=O)Nc3cnn(CC(=O)NCC[NH+](C)C)c3)[C@H]2C1 ZINC000645624704 1075818044 /nfs/dbraw/zinc/81/80/44/1075818044.db2.gz VQIOQQNSDYYQKM-HIFRSBDPSA-N 1 3 391.476 -1.338 20 0 GAADHO CN1C[C@H]2CCN(C(=O)C(=O)Nc3cnn(CC(=O)NCC[NH+](C)C)c3)[C@@H]2C1 ZINC000645624705 1075818010 /nfs/dbraw/zinc/81/80/10/1075818010.db2.gz VQIOQQNSDYYQKM-UKRRQHHQSA-N 1 3 391.476 -1.338 20 0 GAADHO CN1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000645624706 1075818085 /nfs/dbraw/zinc/81/80/85/1075818085.db2.gz VQIOQQNSDYYQKM-ZFWWWQNUSA-N 1 3 391.476 -1.338 20 0 GAADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000646819926 1075822025 /nfs/dbraw/zinc/82/20/25/1075822025.db2.gz QPUNSKYCCLKSQE-CYBMUJFWSA-N 1 3 379.465 -1.038 20 0 GAADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000646819927 1075822007 /nfs/dbraw/zinc/82/20/07/1075822007.db2.gz QPUNSKYCCLKSQE-ZDUSSCGKSA-N 1 3 379.465 -1.038 20 0 GAADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000646820000 1075822014 /nfs/dbraw/zinc/82/20/14/1075822014.db2.gz SUMZSMGVKGJUGH-CYBMUJFWSA-N 1 3 379.465 -1.038 20 0 GAADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000646820001 1075821982 /nfs/dbraw/zinc/82/19/82/1075821982.db2.gz SUMZSMGVKGJUGH-ZDUSSCGKSA-N 1 3 379.465 -1.038 20 0 GAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)CCN1CCCS1(=O)=O ZINC000647558428 1073783657 /nfs/dbraw/zinc/78/36/57/1073783657.db2.gz JBZGZVZJJUSNHP-UHFFFAOYSA-N 1 3 391.538 -1.568 20 0 GAADHO Cn1cc(CN(C(=O)CNC[C@@H]2CCCO2)[C@@H]2CC[NH2+]C2)c(=O)n(C)c1=O ZINC000648117284 1074259438 /nfs/dbraw/zinc/25/94/38/1074259438.db2.gz QITJDZVSJBMZAG-CABCVRRESA-N 1 3 379.461 -1.457 20 0 GAADHO Cn1cc(CN(C(=O)CNC[C@@H]2CCCO2)[C@H]2CC[NH2+]C2)c(=O)n(C)c1=O ZINC000648117285 1074259755 /nfs/dbraw/zinc/25/97/55/1074259755.db2.gz QITJDZVSJBMZAG-GJZGRUSLSA-N 1 3 379.461 -1.457 20 0 GAADHO Cn1cc(CN(C(=O)CNC[C@H]2CCCO2)[C@@H]2CC[NH2+]C2)c(=O)n(C)c1=O ZINC000648117286 1074259972 /nfs/dbraw/zinc/25/99/72/1074259972.db2.gz QITJDZVSJBMZAG-HUUCEWRRSA-N 1 3 379.461 -1.457 20 0 GAADHO Cn1cc(CN(C(=O)CNC[C@H]2CCCO2)[C@H]2CC[NH2+]C2)c(=O)n(C)c1=O ZINC000648117287 1075826800 /nfs/dbraw/zinc/82/68/00/1075826800.db2.gz QITJDZVSJBMZAG-LSDHHAIUSA-N 1 3 379.461 -1.457 20 0 GAADHO CN(C)CCN1CCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1=O ZINC000650891438 1075851585 /nfs/dbraw/zinc/85/15/85/1075851585.db2.gz LUMOBNNSETXJCQ-HNNXBMFYSA-N 1 3 382.509 -1.011 20 0 GAADHO CN(C)CCN1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1=O ZINC000650891438 1075851578 /nfs/dbraw/zinc/85/15/78/1075851578.db2.gz LUMOBNNSETXJCQ-HNNXBMFYSA-N 1 3 382.509 -1.011 20 0 GAADHO CN(C)CCN1CCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1=O ZINC000650891439 1075851665 /nfs/dbraw/zinc/85/16/65/1075851665.db2.gz LUMOBNNSETXJCQ-OAHLLOKOSA-N 1 3 382.509 -1.011 20 0 GAADHO CN(C)CCN1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1=O ZINC000650891439 1075851661 /nfs/dbraw/zinc/85/16/61/1075851661.db2.gz LUMOBNNSETXJCQ-OAHLLOKOSA-N 1 3 382.509 -1.011 20 0 GAADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652424624 1075865165 /nfs/dbraw/zinc/86/51/65/1075865165.db2.gz ZGICSORGFRZVSQ-INIZCTEOSA-N 1 3 397.520 -1.212 20 0 GAADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652424625 1075865158 /nfs/dbraw/zinc/86/51/58/1075865158.db2.gz ZGICSORGFRZVSQ-MRXNPFEDSA-N 1 3 397.520 -1.212 20 0 GAADHO CN(C)CCN1CCN(C(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)CC1=O ZINC000652448015 1075865433 /nfs/dbraw/zinc/86/54/33/1075865433.db2.gz ODYZUZUKTZIGAK-UHFFFAOYSA-N 1 3 397.520 -1.476 20 0 GAADHO CN(C)CCN1CCN(C(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)CC1=O ZINC000652448015 1075865428 /nfs/dbraw/zinc/86/54/28/1075865428.db2.gz ODYZUZUKTZIGAK-UHFFFAOYSA-N 1 3 397.520 -1.476 20 0 GAADHO CCO[C@@H]1CN(C(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C[C@H]1C[NH3+] ZINC000652684240 1073951860 /nfs/dbraw/zinc/95/18/60/1073951860.db2.gz IWEZASMAADEASV-BZUAXINKSA-N 1 3 397.520 -1.133 20 0 GAADHO CCO[C@@H]1CN(C(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C[C@H]1C[NH3+] ZINC000652684241 1073951786 /nfs/dbraw/zinc/95/17/86/1073951786.db2.gz IWEZASMAADEASV-OWCLPIDISA-N 1 3 397.520 -1.133 20 0 GAADHO CCO[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN(CC)CC)CC2)C[C@H]1C[NH3+] ZINC000652728891 1074034642 /nfs/dbraw/zinc/03/46/42/1074034642.db2.gz GQXRHIBYXOTTLB-HZPDHXFCSA-N 1 3 397.520 -1.179 20 0 GAADHO CCO[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C[C@H]1C[NH3+] ZINC000652729115 1075870188 /nfs/dbraw/zinc/87/01/88/1075870188.db2.gz RYLYKTOTDGNZDM-HZPDHXFCSA-N 1 3 395.504 -1.425 20 0 GAADHO CCO[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C[C@H]1C[NH3+] ZINC000652731017 1074074084 /nfs/dbraw/zinc/07/40/84/1074074084.db2.gz ZHJCVWKATJPBSF-BZUAXINKSA-N 1 3 395.504 -1.426 20 0 GAADHO CCO[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C[C@H]1C[NH3+] ZINC000652731018 1074074529 /nfs/dbraw/zinc/07/45/29/1074074529.db2.gz ZHJCVWKATJPBSF-OWCLPIDISA-N 1 3 395.504 -1.426 20 0 GAADHO CN(C)[C@]1(CNC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CCSC1 ZINC000653372598 1074123498 /nfs/dbraw/zinc/12/34/98/1074123498.db2.gz ORMIKNHZPSURDL-KRWDZBQOSA-N 1 3 385.534 -1.228 20 0 GAADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CCSC1 ZINC000653372599 1075879773 /nfs/dbraw/zinc/87/97/73/1075879773.db2.gz ORMIKNHZPSURDL-QGZVFWFLSA-N 1 3 385.534 -1.228 20 0 GAADHO CC(CC(=O)N1CCN2C[C@H](O)C[C@H]2C1)CC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655295901 1073426171 /nfs/dbraw/zinc/42/61/71/1073426171.db2.gz PMQPNHLLISDKTM-WNRNVDISSA-N 1 3 394.516 -1.043 20 0 GAADHO CC(CC(=O)N1CCN2C[C@H](O)C[C@H]2C1)CC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655295901 1073426160 /nfs/dbraw/zinc/42/61/60/1073426160.db2.gz PMQPNHLLISDKTM-WNRNVDISSA-N 1 3 394.516 -1.043 20 0 GAADHO C[C@@H](C(=O)N1CCN2C[C@H](O)C[C@H]2C1)[C@@H](C)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655296215 1073426224 /nfs/dbraw/zinc/42/62/24/1073426224.db2.gz VHPQIEIQMWTBHC-GVLSGGHMSA-N 1 3 394.516 -1.187 20 0 GAADHO C[C@@H](C(=O)N1CCN2C[C@H](O)C[C@H]2C1)[C@@H](C)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655296215 1073426221 /nfs/dbraw/zinc/42/62/21/1073426221.db2.gz VHPQIEIQMWTBHC-GVLSGGHMSA-N 1 3 394.516 -1.187 20 0 GAADHO C[C@H](C(=O)N1CCN2C[C@H](O)C[C@H]2C1)[C@H](C)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655296216 1073508299 /nfs/dbraw/zinc/50/82/99/1073508299.db2.gz VHPQIEIQMWTBHC-UXJCHEOYSA-N 1 3 394.516 -1.187 20 0 GAADHO C[C@H](C(=O)N1CCN2C[C@H](O)C[C@H]2C1)[C@H](C)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655296216 1073508284 /nfs/dbraw/zinc/50/82/84/1073508284.db2.gz VHPQIEIQMWTBHC-UXJCHEOYSA-N 1 3 394.516 -1.187 20 0 GAADHO O=C(N1CCN2C[C@H](O)C[C@H]2C1)C1(C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCC1 ZINC000655296779 1073426725 /nfs/dbraw/zinc/42/67/25/1073426725.db2.gz VPHOEDNDMNTCIV-MWDXBVQZSA-N 1 3 392.500 -1.289 20 0 GAADHO O=C(N1CCN2C[C@H](O)C[C@H]2C1)C1(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CCC1 ZINC000655296779 1073426719 /nfs/dbraw/zinc/42/67/19/1073426719.db2.gz VPHOEDNDMNTCIV-MWDXBVQZSA-N 1 3 392.500 -1.289 20 0 GAADHO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656065601 1074790183 /nfs/dbraw/zinc/79/01/83/1074790183.db2.gz GKHVPBNZWQIBBG-DLBZAZTESA-N 1 3 381.521 -1.252 20 0 GAADHO CN(C(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000656069905 1073515014 /nfs/dbraw/zinc/51/50/14/1073515014.db2.gz SLKSELDXTMVANO-FGTMMUONSA-N 1 3 393.532 -1.109 20 0 GAADHO CN(C(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000656069906 1073514967 /nfs/dbraw/zinc/51/49/67/1073514967.db2.gz SLKSELDXTMVANO-OKZBNKHCSA-N 1 3 393.532 -1.109 20 0 GAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(c2nncn2C)CC1 ZINC000656069924 1073514711 /nfs/dbraw/zinc/51/47/11/1073514711.db2.gz TXRLRRSUQDBRAO-UHFFFAOYSA-N 1 3 380.497 -1.585 20 0 GAADHO COc1cnc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)nc1N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656219187 1073534136 /nfs/dbraw/zinc/53/41/36/1073534136.db2.gz NDKHFNNHCLVWEJ-CAOSSQGBSA-N 1 3 390.488 -1.004 20 0 GAADHO COc1cnc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)nc1N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656219187 1073534128 /nfs/dbraw/zinc/53/41/28/1073534128.db2.gz NDKHFNNHCLVWEJ-CAOSSQGBSA-N 1 3 390.488 -1.004 20 0 GAADHO COc1nc(N2CCN3C[C@H](O)C[C@H]3C2)nc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)n1 ZINC000656219235 1073534036 /nfs/dbraw/zinc/53/40/36/1073534036.db2.gz QWMZMEZGMWKTTO-BYNSBNAKSA-N 1 3 391.476 -1.609 20 0 GAADHO COc1nc(N2CCN3C[C@H](O)C[C@H]3C2)nc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)n1 ZINC000656219235 1073534024 /nfs/dbraw/zinc/53/40/24/1073534024.db2.gz QWMZMEZGMWKTTO-BYNSBNAKSA-N 1 3 391.476 -1.609 20 0 GAADHO CNc1nc(N2CCN3C[C@H](O)C[C@H]3C2)nc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)n1 ZINC000656219448 1073533967 /nfs/dbraw/zinc/53/39/67/1073533967.db2.gz XTRPJBPISVHVGF-BYNSBNAKSA-N 1 3 390.492 -2.154 20 0 GAADHO CNc1nc(N2CCN3C[C@H](O)C[C@H]3C2)nc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)n1 ZINC000656219448 1073533955 /nfs/dbraw/zinc/53/39/55/1073533955.db2.gz XTRPJBPISVHVGF-BYNSBNAKSA-N 1 3 390.492 -2.154 20 0 GAADHO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN4C[C@H](O)C[C@H]4C3)C2)CC1 ZINC000656316696 1073544169 /nfs/dbraw/zinc/54/41/69/1073544169.db2.gz TUQFVTZXIMSNDG-BHYGNILZSA-N 1 3 379.505 -1.452 20 0 GAADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCN4C[C@H](O)C[C@H]4C3)C2)CC1 ZINC000656316698 1073544336 /nfs/dbraw/zinc/54/43/36/1073544336.db2.gz TUQFVTZXIMSNDG-HYVNUMGLSA-N 1 3 379.505 -1.452 20 0 GAADHO CN(C)CCN1CCN(C(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1=O ZINC000658776107 1073733986 /nfs/dbraw/zinc/73/39/86/1073733986.db2.gz RPWYINNBUPATSB-INIZCTEOSA-N 1 3 395.504 -1.724 20 0 GAADHO CN(C)CCN1CCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1=O ZINC000658776107 1073733976 /nfs/dbraw/zinc/73/39/76/1073733976.db2.gz RPWYINNBUPATSB-INIZCTEOSA-N 1 3 395.504 -1.724 20 0 GAADHO CN(C)CCN1CCN(C(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1=O ZINC000658776108 1073733788 /nfs/dbraw/zinc/73/37/88/1073733788.db2.gz RPWYINNBUPATSB-MRXNPFEDSA-N 1 3 395.504 -1.724 20 0 GAADHO CN(C)CCN1CCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1=O ZINC000658776108 1073733781 /nfs/dbraw/zinc/73/37/81/1073733781.db2.gz RPWYINNBUPATSB-MRXNPFEDSA-N 1 3 395.504 -1.724 20 0 GAADHO CN(C)CCN1CCN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC1=O ZINC000658776656 1073733921 /nfs/dbraw/zinc/73/39/21/1073733921.db2.gz ZCZWKERYXRWYBH-INIZCTEOSA-N 1 3 397.520 -1.212 20 0 GAADHO CN(C)CCN1CCN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC1=O ZINC000658776657 1073733940 /nfs/dbraw/zinc/73/39/40/1073733940.db2.gz ZCZWKERYXRWYBH-MRXNPFEDSA-N 1 3 397.520 -1.212 20 0 GAADHO CCS(=O)(=O)N1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000659318675 1073796983 /nfs/dbraw/zinc/79/69/83/1073796983.db2.gz UEFXAGWKFXUCRY-UHFFFAOYSA-N 1 3 391.538 -1.568 20 0 GAADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000665639256 1074234680 /nfs/dbraw/zinc/23/46/80/1074234680.db2.gz SDBCMCIJDGRXRZ-HNNXBMFYSA-N 1 3 395.512 -1.201 20 0 GAADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000665639256 1074234677 /nfs/dbraw/zinc/23/46/77/1074234677.db2.gz SDBCMCIJDGRXRZ-HNNXBMFYSA-N 1 3 395.512 -1.201 20 0 GAADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000804066521 1073530344 /nfs/dbraw/zinc/53/03/44/1073530344.db2.gz BAJZXMXRQCUMFK-BZUAXINKSA-N 1 3 395.504 -1.331 20 0 GAADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000804066521 1073530332 /nfs/dbraw/zinc/53/03/32/1073530332.db2.gz BAJZXMXRQCUMFK-BZUAXINKSA-N 1 3 395.504 -1.331 20 0 GAADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000804066522 1073530406 /nfs/dbraw/zinc/53/04/06/1073530406.db2.gz BAJZXMXRQCUMFK-OAGGEKHMSA-N 1 3 395.504 -1.331 20 0 GAADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000804066522 1073530395 /nfs/dbraw/zinc/53/03/95/1073530395.db2.gz BAJZXMXRQCUMFK-OAGGEKHMSA-N 1 3 395.504 -1.331 20 0 GAADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000804066523 1073530277 /nfs/dbraw/zinc/53/02/77/1073530277.db2.gz BAJZXMXRQCUMFK-OWCLPIDISA-N 1 3 395.504 -1.331 20 0 GAADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000804066523 1073530264 /nfs/dbraw/zinc/53/02/64/1073530264.db2.gz BAJZXMXRQCUMFK-OWCLPIDISA-N 1 3 395.504 -1.331 20 0 GAADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000804066524 1073529996 /nfs/dbraw/zinc/52/99/96/1073529996.db2.gz BAJZXMXRQCUMFK-PMPSAXMXSA-N 1 3 395.504 -1.331 20 0 GAADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000804066524 1073529986 /nfs/dbraw/zinc/52/99/86/1073529986.db2.gz BAJZXMXRQCUMFK-PMPSAXMXSA-N 1 3 395.504 -1.331 20 0 GAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000806714027 1075027264 /nfs/dbraw/zinc/02/72/64/1075027264.db2.gz TZXXSOIBXSANGM-HNNXBMFYSA-N 1 3 386.493 -1.024 20 0 GAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000806714028 1075027313 /nfs/dbraw/zinc/02/73/13/1075027313.db2.gz TZXXSOIBXSANGM-OAHLLOKOSA-N 1 3 386.493 -1.024 20 0 GAADHO CCC(C)(C(=O)N1CCN2C[C@H](O)C[C@H]2C1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000824297846 1075051563 /nfs/dbraw/zinc/05/15/63/1075051563.db2.gz ILDIJVFRZJOPBA-MWDXBVQZSA-N 1 3 394.516 -1.043 20 0 GAADHO CCC(C)(C(=O)N1CCN2C[C@H](O)C[C@H]2C1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000824297846 1075051560 /nfs/dbraw/zinc/05/15/60/1075051560.db2.gz ILDIJVFRZJOPBA-MWDXBVQZSA-N 1 3 394.516 -1.043 20 0 GAADHO CCOC(=O)[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC12COC2 ZINC000839285754 1073870743 /nfs/dbraw/zinc/87/07/43/1073870743.db2.gz GWRNAUWWVXMPAO-HNNXBMFYSA-N 1 3 398.504 -1.024 20 0 GAADHO CCOC(=O)[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC12COC2 ZINC000839285760 1073870600 /nfs/dbraw/zinc/87/06/00/1073870600.db2.gz GWRNAUWWVXMPAO-OAHLLOKOSA-N 1 3 398.504 -1.024 20 0 GAADHO COC(=O)[C@]12CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@H]1COCC2 ZINC000839287301 1073870542 /nfs/dbraw/zinc/87/05/42/1073870542.db2.gz QNOQIQWAWHYDRM-HNAYVOBHSA-N 1 3 398.504 -1.024 20 0 GAADHO C[NH+](C)CCN1CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1=O ZINC000846734826 1075076882 /nfs/dbraw/zinc/07/68/82/1075076882.db2.gz IEIFFUXWGQXUIF-CABCVRRESA-N 1 3 381.477 -1.802 20 0 GAADHO C[NH+](C)CCN1CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1=O ZINC000846734833 1075076928 /nfs/dbraw/zinc/07/69/28/1075076928.db2.gz IEIFFUXWGQXUIF-GJZGRUSLSA-N 1 3 381.477 -1.802 20 0 GAADHO C[NH+](C)CCN1CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1=O ZINC000846734836 1075076977 /nfs/dbraw/zinc/07/69/77/1075076977.db2.gz IEIFFUXWGQXUIF-HUUCEWRRSA-N 1 3 381.477 -1.802 20 0 GAADHO C[NH+](C)CCN1CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1=O ZINC000846734839 1075076864 /nfs/dbraw/zinc/07/68/64/1075076864.db2.gz IEIFFUXWGQXUIF-LSDHHAIUSA-N 1 3 381.477 -1.802 20 0 GAADHO Cc1nc(N2CCN3C[C@H](O)C[C@H]3C2)nc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)n1 ZINC000848765768 1075237504 /nfs/dbraw/zinc/23/75/04/1075237504.db2.gz IIJKNHGBJCYVPM-CAOSSQGBSA-N 1 3 375.477 -1.310 20 0 GAADHO Cc1nc(N2CCN3C[C@H](O)C[C@H]3C2)nc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)n1 ZINC000848765768 1075237500 /nfs/dbraw/zinc/23/75/00/1075237500.db2.gz IIJKNHGBJCYVPM-CAOSSQGBSA-N 1 3 375.477 -1.310 20 0 GAADHO CN(CCNC(=O)C(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)C1CC1 ZINC000861740630 1075464990 /nfs/dbraw/zinc/46/49/90/1075464990.db2.gz UBMRIGMLRUQBER-CABCVRRESA-N 1 3 379.461 -1.020 20 0 GAADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC(N4C(=O)O[C@H]5C[NH2+]C[C@H]54)CC3)C[C@@H]21 ZINC000863772318 1075470460 /nfs/dbraw/zinc/47/04/60/1075470460.db2.gz UVKUWZRFCFPPJS-OJLVUWQFSA-N 1 3 391.472 -1.068 20 0 GAADHO O=C(C(F)C(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000868343206 1075476274 /nfs/dbraw/zinc/47/62/74/1075476274.db2.gz HBIFQJPNVVSYEO-VGWMRTNUSA-N 1 3 398.479 -1.341 20 0 GAADHO O=C(C(F)C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000868343206 1075476271 /nfs/dbraw/zinc/47/62/71/1075476271.db2.gz HBIFQJPNVVSYEO-VGWMRTNUSA-N 1 3 398.479 -1.341 20 0 GAADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000868367725 1075476296 /nfs/dbraw/zinc/47/62/96/1075476296.db2.gz VLXQPQTZKDQIFV-KFWWJZLASA-N 1 3 379.461 -1.066 20 0 GAADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000868367726 1075476204 /nfs/dbraw/zinc/47/62/04/1075476204.db2.gz VLXQPQTZKDQIFV-ZNMIVQPWSA-N 1 3 379.461 -1.066 20 0 GAADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000868370785 1075476925 /nfs/dbraw/zinc/47/69/25/1075476925.db2.gz UQQJLPALCQVHSX-KFWWJZLASA-N 1 3 397.476 -1.584 20 0 GAADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000868370786 1075476934 /nfs/dbraw/zinc/47/69/34/1075476934.db2.gz UQQJLPALCQVHSX-ZNMIVQPWSA-N 1 3 397.476 -1.584 20 0 GAADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000868381589 1075476703 /nfs/dbraw/zinc/47/67/03/1075476703.db2.gz LXFUYCVBGQEBSV-KFWWJZLASA-N 1 3 379.461 -1.068 20 0 GAADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000868381590 1075476739 /nfs/dbraw/zinc/47/67/39/1075476739.db2.gz LXFUYCVBGQEBSV-ZNMIVQPWSA-N 1 3 379.461 -1.068 20 0 GAADHO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N1CCN(C(=O)CN3CCCC3)CC1)C2 ZINC000872190616 1075480787 /nfs/dbraw/zinc/48/07/87/1075480787.db2.gz RWISWTBGUINIMP-HNAYVOBHSA-N 1 3 377.489 -1.179 20 0 GAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000872192389 1075481194 /nfs/dbraw/zinc/48/11/94/1075481194.db2.gz VBIRGQDNXWOKGW-QMTMVMCOSA-N 1 3 377.489 -1.181 20 0 GAADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000872192390 1075481464 /nfs/dbraw/zinc/48/14/64/1075481464.db2.gz VBIRGQDNXWOKGW-YZVOILCLSA-N 1 3 377.489 -1.181 20 0 GAADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1=O ZINC000872303354 1075481329 /nfs/dbraw/zinc/48/13/29/1075481329.db2.gz HCPHSPVOUIEUOB-BARDWOONSA-N 1 3 379.461 -1.210 20 0 GAADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1=O ZINC000872303359 1075481298 /nfs/dbraw/zinc/48/12/98/1075481298.db2.gz HCPHSPVOUIEUOB-TUVASFSCSA-N 1 3 379.461 -1.210 20 0 GAADHO CN(C)CCN1C[C@@H](C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1=O ZINC000872303361 1075481257 /nfs/dbraw/zinc/48/12/57/1075481257.db2.gz HCPHSPVOUIEUOB-XQLPTFJDSA-N 1 3 379.461 -1.210 20 0 GAADHO CN(C)CCN1C[C@@H](C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1=O ZINC000872303363 1075481386 /nfs/dbraw/zinc/48/13/86/1075481386.db2.gz HCPHSPVOUIEUOB-YJNKXOJESA-N 1 3 379.461 -1.210 20 0 GAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN([S@@](C)(=N)=O)CC1 ZINC000872856258 637486847 /nfs/dbraw/zinc/48/68/47/637486847.db2.gz YGJWQZADYAKBHY-RUZDIDTESA-N 1 3 376.527 -1.326 20 0 GAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN([S@](C)(=N)=O)CC1 ZINC000872856259 637486742 /nfs/dbraw/zinc/48/67/42/637486742.db2.gz YGJWQZADYAKBHY-VWLOTQADSA-N 1 3 376.527 -1.326 20 0 GAADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000884631550 1075508427 /nfs/dbraw/zinc/50/84/27/1075508427.db2.gz NZVFTJFBFMTSEH-FPCVCCKLSA-N 1 3 391.472 -1.020 20 0 GAADHO O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000884631551 1075508414 /nfs/dbraw/zinc/50/84/14/1075508414.db2.gz NZVFTJFBFMTSEH-JJXSEGSLSA-N 1 3 391.472 -1.020 20 0 GAADHO O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000884631552 1075508488 /nfs/dbraw/zinc/50/84/88/1075508488.db2.gz NZVFTJFBFMTSEH-JONQDZQNSA-N 1 3 391.472 -1.020 20 0 GAADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000884631553 1075508717 /nfs/dbraw/zinc/50/87/17/1075508717.db2.gz NZVFTJFBFMTSEH-QXSJWSMHSA-N 1 3 391.472 -1.020 20 0 GAADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000884787347 1075508801 /nfs/dbraw/zinc/50/88/01/1075508801.db2.gz OQTHGRATYKVRPT-BARDWOONSA-N 1 3 379.461 -1.020 20 0 GAADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000884787348 1075509071 /nfs/dbraw/zinc/50/90/71/1075509071.db2.gz OQTHGRATYKVRPT-TUVASFSCSA-N 1 3 379.461 -1.020 20 0 GAADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000884787349 1075509057 /nfs/dbraw/zinc/50/90/57/1075509057.db2.gz OQTHGRATYKVRPT-XQLPTFJDSA-N 1 3 379.461 -1.020 20 0 GAADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000884787350 1075509086 /nfs/dbraw/zinc/50/90/86/1075509086.db2.gz OQTHGRATYKVRPT-YJNKXOJESA-N 1 3 379.461 -1.020 20 0 GAADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CC(=O)N1CCN(CC(=O)N(C)C)CC1)C2 ZINC000903493754 1073448505 /nfs/dbraw/zinc/44/85/05/1073448505.db2.gz WLZJVMMVCPNVIO-KHYOSLBOSA-N 1 3 395.504 -1.569 20 0 GAADHO O=C(C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000903771647 1073450946 /nfs/dbraw/zinc/45/09/46/1073450946.db2.gz OATWAPZZIDVPSP-XWTMOSNGSA-N 1 3 391.516 -1.309 20 0 GAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N(C)C2(C[NH3+])CCOCC2)CC1 ZINC000904971379 1074450944 /nfs/dbraw/zinc/45/09/44/1074450944.db2.gz QPYHTEGGSQQZEE-UHFFFAOYSA-N 1 3 397.520 -1.035 20 0 GAADHO CN(C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C1(C[NH3+])CCOCC1 ZINC000904971986 1074451064 /nfs/dbraw/zinc/45/10/64/1074451064.db2.gz SLUOEISFOZACHQ-HNNXBMFYSA-N 1 3 395.504 -1.282 20 0 GAADHO CN(C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)C1(C[NH3+])CCOCC1 ZINC000904972005 1074451045 /nfs/dbraw/zinc/45/10/45/1074451045.db2.gz SLUOEISFOZACHQ-OAHLLOKOSA-N 1 3 395.504 -1.282 20 0 GAADHO CN(C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1(C[NH3+])CCOCC1 ZINC000904972078 1074451028 /nfs/dbraw/zinc/45/10/28/1074451028.db2.gz TXCHAVPEKYACNG-UHFFFAOYSA-N 1 3 395.504 -1.281 20 0 GAADHO O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C(=O)N1CCNCCNCC1 ZINC000910975593 1074482555 /nfs/dbraw/zinc/48/25/55/1074482555.db2.gz FCMMNBNBMZTCJQ-GOSISDBHSA-N 1 3 389.500 -1.109 20 0 GAADHO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C(=O)N1CCNCCNCC1 ZINC000910975593 1074482552 /nfs/dbraw/zinc/48/25/52/1074482552.db2.gz FCMMNBNBMZTCJQ-GOSISDBHSA-N 1 3 389.500 -1.109 20 0 GAADHO O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)C(=O)N1CCNCCNCC1 ZINC000910975594 1074482530 /nfs/dbraw/zinc/48/25/30/1074482530.db2.gz FCMMNBNBMZTCJQ-SFHVURJKSA-N 1 3 389.500 -1.109 20 0 GAADHO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C(=O)N1CCNCCNCC1 ZINC000910975594 1074482529 /nfs/dbraw/zinc/48/25/29/1074482529.db2.gz FCMMNBNBMZTCJQ-SFHVURJKSA-N 1 3 389.500 -1.109 20 0 GAADHO C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2CCNCCNCC2)ccn1 ZINC000911013201 1074483333 /nfs/dbraw/zinc/48/33/33/1074483333.db2.gz YRDATKBFWVHCIH-UHFFFAOYSA-N 1 3 378.477 -1.340 20 0 GAADHO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C(=O)N1CCNCCNCC1 ZINC000911014177 1074484021 /nfs/dbraw/zinc/48/40/21/1074484021.db2.gz HQOMOTIPUUITLT-DLBZAZTESA-N 1 3 381.521 -1.108 20 0 GAADHO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C(=O)N1CCNCCNCC1 ZINC000911014178 1074483795 /nfs/dbraw/zinc/48/37/95/1074483795.db2.gz HQOMOTIPUUITLT-IAGOWNOFSA-N 1 3 381.521 -1.108 20 0 GAADHO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C(=O)N1CCNCCNCC1 ZINC000911014179 1074483821 /nfs/dbraw/zinc/48/38/21/1074483821.db2.gz HQOMOTIPUUITLT-IRXDYDNUSA-N 1 3 381.521 -1.108 20 0 GAADHO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(=O)N1CCNCCNCC1 ZINC000911014180 1074483907 /nfs/dbraw/zinc/48/39/07/1074483907.db2.gz HQOMOTIPUUITLT-SJORKVTESA-N 1 3 381.521 -1.108 20 0 GAADHO CN1CCN(C)[C@H](CNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)C1 ZINC000911029564 1074483891 /nfs/dbraw/zinc/48/38/91/1074483891.db2.gz CYSKLOSZPVHYPR-FGTMMUONSA-N 1 3 392.548 -1.224 20 0 GAADHO CN1CCN(C)[C@@H](CNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)C1 ZINC000911029569 1074483946 /nfs/dbraw/zinc/48/39/46/1074483946.db2.gz CYSKLOSZPVHYPR-KSZLIROESA-N 1 3 392.548 -1.224 20 0 GAADHO C[NH+]1CCC(CNC(=O)C(=O)N2CCNCCNCC2)(N2CCOCC2)CC1 ZINC000911043225 1074484361 /nfs/dbraw/zinc/48/43/61/1074484361.db2.gz UVAMIBZBGNQYGO-UHFFFAOYSA-N 1 3 396.536 -2.079 20 0 GAADHO CN1CCN(c2ccc(CNC(=O)C(=O)N3CCNCC[NH2+]CC3)cn2)CC1 ZINC000911067009 1074485023 /nfs/dbraw/zinc/48/50/23/1074485023.db2.gz LJTKNRYCZPQEOJ-UHFFFAOYSA-N 1 3 389.504 -1.529 20 0 GAADHO COC[C@@H]1CNCCN1C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000911067404 1074484993 /nfs/dbraw/zinc/48/49/93/1074484993.db2.gz ORPWNESNMQUMFB-INIZCTEOSA-N 1 3 390.488 -1.104 20 0 GAADHO COC[C@H]1CNCCN1C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000911067405 1074484943 /nfs/dbraw/zinc/48/49/43/1074484943.db2.gz ORPWNESNMQUMFB-MRXNPFEDSA-N 1 3 390.488 -1.104 20 0 GAADHO CN1CCN(c2ncccc2CNC(=O)C(=O)N2CCNCC[NH2+]CC2)CC1 ZINC000911093079 1074485099 /nfs/dbraw/zinc/48/50/99/1074485099.db2.gz VWMHTJMRQHNJOV-UHFFFAOYSA-N 1 3 389.504 -1.529 20 0 GAADHO CN1CCN(c2cc(CNC(=O)C(=O)N3CCNCC[NH2+]CC3)ccn2)CC1 ZINC000911110401 1074485656 /nfs/dbraw/zinc/48/56/56/1074485656.db2.gz CDSWBECVHLIUNN-UHFFFAOYSA-N 1 3 389.504 -1.529 20 0 GAADHO COC[C@@H]1CNCCN1C(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000911111335 1074485152 /nfs/dbraw/zinc/48/51/52/1074485152.db2.gz FKSPGBLNFKYKMK-INIZCTEOSA-N 1 3 390.488 -1.104 20 0 GAADHO COC[C@H]1CNCCN1C(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000911111337 1074485063 /nfs/dbraw/zinc/48/50/63/1074485063.db2.gz FKSPGBLNFKYKMK-MRXNPFEDSA-N 1 3 390.488 -1.104 20 0 GAADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCCN2CCC([NH3+])CC2)CC1 ZINC000911269083 1074486888 /nfs/dbraw/zinc/48/68/88/1074486888.db2.gz IGVPHTKGLDDCQG-INIZCTEOSA-N 1 3 382.553 -1.085 20 0 GAADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCCN2CCC([NH3+])CC2)CC1 ZINC000911269084 1074486931 /nfs/dbraw/zinc/48/69/31/1074486931.db2.gz IGVPHTKGLDDCQG-MRXNPFEDSA-N 1 3 382.553 -1.085 20 0 GAADHO O=C(N[C@H]1CCCN(CCN2CCOCC2)C1)C(=O)N1CCNCC[NH2+]CC1 ZINC000911369404 1074490536 /nfs/dbraw/zinc/49/05/36/1074490536.db2.gz ZEXZYPLSOASKBX-KRWDZBQOSA-N 1 3 396.536 -2.079 20 0 GAADHO O=C(N[C@@H]1CCCN(CCN2CCOCC2)C1)C(=O)N1CCNCC[NH2+]CC1 ZINC000911369405 1074490476 /nfs/dbraw/zinc/49/04/76/1074490476.db2.gz ZEXZYPLSOASKBX-QGZVFWFLSA-N 1 3 396.536 -2.079 20 0 GAADHO CN1C[C@H](O)C[C@]1(C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000913674344 1074613216 /nfs/dbraw/zinc/61/32/16/1074613216.db2.gz MYZMESIKKJIQPO-KGSBAQAMSA-N 1 3 380.489 -1.292 20 0 GAADHO CN1C[C@H](O)C[C@]1(C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000913674344 1074613212 /nfs/dbraw/zinc/61/32/12/1074613212.db2.gz MYZMESIKKJIQPO-KGSBAQAMSA-N 1 3 380.489 -1.292 20 0 GAADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000923199568 637383994 /nfs/dbraw/zinc/38/39/94/637383994.db2.gz UATSADNNWJMSDT-KBPBESRZSA-N 1 3 376.527 -1.198 20 0 GAADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000923199568 637383988 /nfs/dbraw/zinc/38/39/88/637383988.db2.gz UATSADNNWJMSDT-KBPBESRZSA-N 1 3 376.527 -1.198 20 0 GAADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC000923199569 637384112 /nfs/dbraw/zinc/38/41/12/637384112.db2.gz UATSADNNWJMSDT-UONOGXRCSA-N 1 3 376.527 -1.198 20 0 GAADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC000923199569 637384105 /nfs/dbraw/zinc/38/41/05/637384105.db2.gz UATSADNNWJMSDT-UONOGXRCSA-N 1 3 376.527 -1.198 20 0 GAADHO COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CCNCCNCC2)CC1 ZINC000926346964 1075699838 /nfs/dbraw/zinc/69/98/38/1075699838.db2.gz KLINCGVNCRMGND-UHFFFAOYSA-N 1 3 376.461 -1.240 20 0 GAADHO CN1CC[NH+](CC2(C)CCN(C(=O)C(=O)N3CCNCCNCC3)CC2)CC1 ZINC000926353518 1075699924 /nfs/dbraw/zinc/69/99/24/1075699924.db2.gz KWYVPLFQMVZQTJ-UHFFFAOYSA-N 1 3 394.564 -1.116 20 0 GAADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000926356802 1075700206 /nfs/dbraw/zinc/70/02/06/1075700206.db2.gz KHAPJWLJNGSTDX-XHSDSOJGSA-N 1 3 377.489 -1.038 20 0 GAADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000926357552 1075700240 /nfs/dbraw/zinc/70/02/40/1075700240.db2.gz QBYSUSOFRZTDAS-XHSDSOJGSA-N 1 3 377.489 -1.181 20 0 GAADHO COCC[NH+](CCOC)C1CCN(C(=O)C(=O)N2CCNCCNCC2)CC1 ZINC000926405559 1075700315 /nfs/dbraw/zinc/70/03/15/1075700315.db2.gz DFTLXJXOEWOVAP-UHFFFAOYSA-N 1 3 399.536 -1.406 20 0 GAADHO C[C@H](CNC(=O)CN1CCN2C[C@H](O)C[C@H]2C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000930888511 1075712782 /nfs/dbraw/zinc/71/27/82/1075712782.db2.gz QDOPTALNSXEMGG-DISONHOPSA-N 1 3 381.521 -2.007 20 0 GAADHO C[C@H](CNC(=O)CN1CCN2C[C@H](O)C[C@H]2C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000930888511 1075712775 /nfs/dbraw/zinc/71/27/75/1075712775.db2.gz QDOPTALNSXEMGG-DISONHOPSA-N 1 3 381.521 -2.007 20 0 GAADHO C[C@@H](CNC(=O)CN1CCN2C[C@H](O)C[C@H]2C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000930888512 1075712834 /nfs/dbraw/zinc/71/28/34/1075712834.db2.gz QDOPTALNSXEMGG-NNPSNHGLSA-N 1 3 381.521 -2.007 20 0 GAADHO C[C@@H](CNC(=O)CN1CCN2C[C@H](O)C[C@H]2C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000930888512 1075712828 /nfs/dbraw/zinc/71/28/28/1075712828.db2.gz QDOPTALNSXEMGG-NNPSNHGLSA-N 1 3 381.521 -2.007 20 0 GAADHO CCO[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C[NH+](C)C ZINC000932467856 1075718382 /nfs/dbraw/zinc/71/83/82/1075718382.db2.gz KSWPOWNHEWUIGJ-CVEARBPZSA-N 1 3 397.520 -1.166 20 0 GAADHO CCO[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C[NH+](C)C ZINC000932467857 1075718358 /nfs/dbraw/zinc/71/83/58/1075718358.db2.gz KSWPOWNHEWUIGJ-HOTGVXAUSA-N 1 3 397.520 -1.166 20 0 GAADHO CCO[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)C[NH+](C)C ZINC000932467858 1075718437 /nfs/dbraw/zinc/71/84/37/1075718437.db2.gz KSWPOWNHEWUIGJ-HZPDHXFCSA-N 1 3 397.520 -1.166 20 0 GAADHO CCO[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)C[NH+](C)C ZINC000932467859 1075718414 /nfs/dbraw/zinc/71/84/14/1075718414.db2.gz KSWPOWNHEWUIGJ-JKSUJKDBSA-N 1 3 397.520 -1.166 20 0 GAADHO CCO[C@@H](CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)C[NH+](C)C ZINC000932472617 1075718296 /nfs/dbraw/zinc/71/82/96/1075718296.db2.gz PGQPUDCTULRXPF-INIZCTEOSA-N 1 3 397.520 -1.164 20 0 GAADHO CCO[C@H](CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)C[NH+](C)C ZINC000932472621 1075718432 /nfs/dbraw/zinc/71/84/32/1075718432.db2.gz PGQPUDCTULRXPF-MRXNPFEDSA-N 1 3 397.520 -1.164 20 0 GAADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](NCCN3CCNC3=O)[C@@H](n3ccnn3)C2)CC[N@H+]1C ZINC001070196509 1073531016 /nfs/dbraw/zinc/53/10/16/1073531016.db2.gz BKJYZFMQSNMQBN-FPCVCCKLSA-N 1 3 390.492 -1.015 20 0 GAADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](NCCN3CCNC3=O)[C@@H](n3ccnn3)C2)CC[N@@H+]1C ZINC001070196509 1073531004 /nfs/dbraw/zinc/53/10/04/1073531004.db2.gz BKJYZFMQSNMQBN-FPCVCCKLSA-N 1 3 390.492 -1.015 20 0 GAADHO O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC001117123807 1073635095 /nfs/dbraw/zinc/63/50/95/1073635095.db2.gz OJWHTAHGCCNLPM-CVEARBPZSA-N 1 3 379.505 -1.138 20 0 GAADHO O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC001117123807 1073635092 /nfs/dbraw/zinc/63/50/92/1073635092.db2.gz OJWHTAHGCCNLPM-CVEARBPZSA-N 1 3 379.505 -1.138 20 0 GAADHO O=C(N[C@H]1CCN(CCN2CCOCC2)C1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC001117123808 1073634860 /nfs/dbraw/zinc/63/48/60/1073634860.db2.gz OJWHTAHGCCNLPM-HOTGVXAUSA-N 1 3 379.505 -1.138 20 0 GAADHO O=C(N[C@H]1CCN(CCN2CCOCC2)C1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC001117123808 1073634854 /nfs/dbraw/zinc/63/48/54/1073634854.db2.gz OJWHTAHGCCNLPM-HOTGVXAUSA-N 1 3 379.505 -1.138 20 0 GAADHO O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC001117123809 1073635125 /nfs/dbraw/zinc/63/51/25/1073635125.db2.gz OJWHTAHGCCNLPM-HZPDHXFCSA-N 1 3 379.505 -1.138 20 0 GAADHO O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001117123809 1073635121 /nfs/dbraw/zinc/63/51/21/1073635121.db2.gz OJWHTAHGCCNLPM-HZPDHXFCSA-N 1 3 379.505 -1.138 20 0 GAADHO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC001117123810 1073635044 /nfs/dbraw/zinc/63/50/44/1073635044.db2.gz OJWHTAHGCCNLPM-JKSUJKDBSA-N 1 3 379.505 -1.138 20 0 GAADHO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC001117123810 1073635038 /nfs/dbraw/zinc/63/50/38/1073635038.db2.gz OJWHTAHGCCNLPM-JKSUJKDBSA-N 1 3 379.505 -1.138 20 0 GAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC001117148685 1073637527 /nfs/dbraw/zinc/63/75/27/1073637527.db2.gz HBOKWWZZICYTKM-AWEZNQCLSA-N 1 3 391.538 -1.522 20 0 GAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC001117148688 1073637597 /nfs/dbraw/zinc/63/75/97/1073637597.db2.gz HBOKWWZZICYTKM-CQSZACIVSA-N 1 3 391.538 -1.522 20 0 GAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC1CCS(=O)(=O)CC1 ZINC001117350967 1073665460 /nfs/dbraw/zinc/66/54/60/1073665460.db2.gz HDZXLOOUJKCOMF-UHFFFAOYSA-N 1 3 376.523 -1.121 20 0 GAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC(C)(C)NS(C)(=O)=O ZINC001117355223 1073666764 /nfs/dbraw/zinc/66/67/64/1073666764.db2.gz SBDSPULWSMKAHZ-UHFFFAOYSA-N 1 3 379.527 -1.618 20 0 GAADHO C[C@@H](CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)CN1CCN(C)CC1 ZINC001118086640 1073721851 /nfs/dbraw/zinc/72/18/51/1073721851.db2.gz YFFKJZWWSFPZSB-BHYGNILZSA-N 1 3 391.520 -1.327 20 0 GAADHO C[C@H](CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)CN1CCN(C)CC1 ZINC001118086641 1073721912 /nfs/dbraw/zinc/72/19/12/1073721912.db2.gz YFFKJZWWSFPZSB-HYVNUMGLSA-N 1 3 391.520 -1.327 20 0 GAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001118362871 1073751630 /nfs/dbraw/zinc/75/16/30/1073751630.db2.gz HFTOKINYWRVGFP-CYBMUJFWSA-N 1 3 377.511 -1.912 20 0 GAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC001118362872 1073751688 /nfs/dbraw/zinc/75/16/88/1073751688.db2.gz HFTOKINYWRVGFP-ZDUSSCGKSA-N 1 3 377.511 -1.912 20 0 GAADHO O=C(CCCC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001118383467 1073753202 /nfs/dbraw/zinc/75/32/02/1073753202.db2.gz ZVSJBFQOWIAFHG-MWDXBVQZSA-N 1 3 380.489 -1.289 20 0 GAADHO O=C(CCCC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001118383467 1073753194 /nfs/dbraw/zinc/75/31/94/1073753194.db2.gz ZVSJBFQOWIAFHG-MWDXBVQZSA-N 1 3 380.489 -1.289 20 0 GAADHO CN1CCC([NH+]2CCC(NC(=O)C(=O)N3CCN4C[C@H](O)C[C@H]4C3)CC2)CC1 ZINC001118400275 1073754345 /nfs/dbraw/zinc/75/43/45/1073754345.db2.gz LGLXWOFPTXKDFS-ZWKOTPCHSA-N 1 3 393.532 -1.061 20 0 GAADHO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CCO1 ZINC001118490320 1073760620 /nfs/dbraw/zinc/76/06/20/1073760620.db2.gz GSDPQCFSSJYYLN-CYBMUJFWSA-N 1 3 380.449 -1.174 20 0 GAADHO C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CCO1 ZINC001118490321 1073760791 /nfs/dbraw/zinc/76/07/91/1073760791.db2.gz GSDPQCFSSJYYLN-ZDUSSCGKSA-N 1 3 380.449 -1.174 20 0 GAADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC001118491079 1073761334 /nfs/dbraw/zinc/76/13/34/1073761334.db2.gz RIOAMZRODDOPJG-GDBMZVCRSA-N 1 3 395.504 -1.331 20 0 GAADHO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC001118491080 1073761479 /nfs/dbraw/zinc/76/14/79/1073761479.db2.gz RIOAMZRODDOPJG-GOEBONIOSA-N 1 3 395.504 -1.331 20 0 GAADHO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC001118491081 1073761281 /nfs/dbraw/zinc/76/12/81/1073761281.db2.gz RIOAMZRODDOPJG-HOCLYGCPSA-N 1 3 395.504 -1.331 20 0 GAADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC001118491082 1073761453 /nfs/dbraw/zinc/76/14/53/1073761453.db2.gz RIOAMZRODDOPJG-ZBFHGGJFSA-N 1 3 395.504 -1.331 20 0 GAADHO CN1CCC[C@@H]1CNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC001118877478 1073797020 /nfs/dbraw/zinc/79/70/20/1073797020.db2.gz RCEXWLYIKANBRH-CQSZACIVSA-N 1 3 379.465 -1.290 20 0 GAADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC001118926032 1073806957 /nfs/dbraw/zinc/80/69/57/1073806957.db2.gz YQGAQHNYRDXHGO-AWEZNQCLSA-N 1 3 383.493 -1.331 20 0 GAADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC001118926033 1073806856 /nfs/dbraw/zinc/80/68/56/1073806856.db2.gz YQGAQHNYRDXHGO-CQSZACIVSA-N 1 3 383.493 -1.331 20 0 GAADHO COC(=O)C1=NO[C@]2(CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C2)C1 ZINC001118940823 1073808693 /nfs/dbraw/zinc/80/86/93/1073808693.db2.gz UNYNGSCNPCKXRA-GOSISDBHSA-N 1 3 397.476 -1.141 20 0 GAADHO COC(=O)C1=NO[C@@]2(CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C2)C1 ZINC001118940824 1073809251 /nfs/dbraw/zinc/80/92/51/1073809251.db2.gz UNYNGSCNPCKXRA-SFHVURJKSA-N 1 3 397.476 -1.141 20 0 GAADHO CN1CCN(C2CCN(C(=O)C(=O)N3CCN([C@@H]4CC[NH2+]C4)CC3)CC2)CC1 ZINC001118974210 1073811542 /nfs/dbraw/zinc/81/15/42/1073811542.db2.gz JFSLOMBEBYGQQX-GOSISDBHSA-N 1 3 392.548 -1.269 20 0 GAADHO CN1CCN(C2CCN(C(=O)C(=O)N3CCN([C@H]4CC[NH2+]C4)CC3)CC2)CC1 ZINC001118974213 1073811505 /nfs/dbraw/zinc/81/15/05/1073811505.db2.gz JFSLOMBEBYGQQX-SFHVURJKSA-N 1 3 392.548 -1.269 20 0 GAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC001119077113 1073816315 /nfs/dbraw/zinc/81/63/15/1073816315.db2.gz KJJVABBURYTREB-INIZCTEOSA-N 1 3 397.520 -1.166 20 0 GAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC001119077115 1073816149 /nfs/dbraw/zinc/81/61/49/1073816149.db2.gz KJJVABBURYTREB-MRXNPFEDSA-N 1 3 397.520 -1.166 20 0 GAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001119077992 1073816899 /nfs/dbraw/zinc/81/68/99/1073816899.db2.gz BEEQIJJFQRGATG-CABCVRRESA-N 1 3 388.534 -1.169 20 0 GAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001119077993 1073816712 /nfs/dbraw/zinc/81/67/12/1073816712.db2.gz BEEQIJJFQRGATG-GJZGRUSLSA-N 1 3 388.534 -1.169 20 0 GAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC001119077994 1073816830 /nfs/dbraw/zinc/81/68/30/1073816830.db2.gz BEEQIJJFQRGATG-HUUCEWRRSA-N 1 3 388.534 -1.169 20 0 GAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2CS(=O)(=O)C[C@H]2C1 ZINC001119077995 1073816788 /nfs/dbraw/zinc/81/67/88/1073816788.db2.gz BEEQIJJFQRGATG-LSDHHAIUSA-N 1 3 388.534 -1.169 20 0 GAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001120332261 1073833365 /nfs/dbraw/zinc/83/33/65/1073833365.db2.gz HBDPBLRASSJYRR-CYBMUJFWSA-N 1 3 390.510 -2.701 20 0 GAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001120332262 1073833553 /nfs/dbraw/zinc/83/35/53/1073833553.db2.gz HBDPBLRASSJYRR-ZDUSSCGKSA-N 1 3 390.510 -2.701 20 0 GAADHO COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC001120514448 1073840390 /nfs/dbraw/zinc/84/03/90/1073840390.db2.gz GKUXREVGABRHEY-DLBZAZTESA-N 1 3 397.520 -1.654 20 0 GAADHO COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC001120514449 1073840138 /nfs/dbraw/zinc/84/01/38/1073840138.db2.gz GKUXREVGABRHEY-IAGOWNOFSA-N 1 3 397.520 -1.654 20 0 GAADHO COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC001120514450 1073840525 /nfs/dbraw/zinc/84/05/25/1073840525.db2.gz GKUXREVGABRHEY-IRXDYDNUSA-N 1 3 397.520 -1.654 20 0 GAADHO COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC001120514451 1073840284 /nfs/dbraw/zinc/84/02/84/1073840284.db2.gz GKUXREVGABRHEY-SJORKVTESA-N 1 3 397.520 -1.654 20 0 GAADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCNCCNCC2)CC1 ZINC001120516426 1073840479 /nfs/dbraw/zinc/84/04/79/1073840479.db2.gz FBVGJARESCMHGW-UHFFFAOYSA-N 1 3 382.509 -1.933 20 0 GAADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CS(=O)(=O)C3)CC1 ZINC001121917367 1073842886 /nfs/dbraw/zinc/84/28/86/1073842886.db2.gz SYIYLMSMFOASAV-YOEHRIQHSA-N 1 3 386.518 -1.367 20 0 GAADHO O=C(C[C@H]1COCCN1)N1CCNCCN(C(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC001122182297 1073844321 /nfs/dbraw/zinc/84/43/21/1073844321.db2.gz OAINJVZURDJZJG-HOTGVXAUSA-N 1 3 383.493 -1.996 20 0 GAADHO O=C(C[C@@H]1COCCN1)N1CCNCCN(C(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC001122182298 1073844730 /nfs/dbraw/zinc/84/47/30/1073844730.db2.gz OAINJVZURDJZJG-HZPDHXFCSA-N 1 3 383.493 -1.996 20 0 GAADHO C[C@@H]1CN2CCN1C[C@@H]2C(=O)NCCCCNC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001123951112 1073850848 /nfs/dbraw/zinc/85/08/48/1073850848.db2.gz UJUHIZGPTVMOSE-BRSBDYLESA-N 1 3 392.548 -1.224 20 0 GAADHO C[C@@H]1CN2CCN1C[C@@H]2C(=O)NCCCCNC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001123951112 1073850842 /nfs/dbraw/zinc/85/08/42/1073850842.db2.gz UJUHIZGPTVMOSE-BRSBDYLESA-N 1 3 392.548 -1.224 20 0 GAADHO C[C@@H]1[C@H](C(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CC(N)=O)[n-]2)CC[N@H+]1C ZINC001130212854 1075024632 /nfs/dbraw/zinc/02/46/32/1075024632.db2.gz HPWIZRNNYBPFAN-NDBYEHHHSA-N 1 3 379.465 -1.292 20 0 GAADHO C[C@@H]1[C@H](C(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CC(N)=O)[n-]2)CC[N@@H+]1C ZINC001130212854 1075024626 /nfs/dbraw/zinc/02/46/26/1075024626.db2.gz HPWIZRNNYBPFAN-NDBYEHHHSA-N 1 3 379.465 -1.292 20 0 GAADHO CNC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[n-]1 ZINC001130213244 1075024684 /nfs/dbraw/zinc/02/46/84/1075024684.db2.gz VTVCZSNMRIGBSF-MQYQWHSLSA-N 1 3 393.492 -1.031 20 0 GAADHO CNC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[n-]1 ZINC001130213244 1075024680 /nfs/dbraw/zinc/02/46/80/1075024680.db2.gz VTVCZSNMRIGBSF-MQYQWHSLSA-N 1 3 393.492 -1.031 20 0 GAADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cn2cnnn2)[C@@H](O)OC(C)(C)C)C1 ZINC001142141008 1073880758 /nfs/dbraw/zinc/88/07/58/1073880758.db2.gz LVGOGRXEUSWKBI-IICXDKKESA-N 1 3 399.496 -1.031 20 0 GAADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cn2cnnn2)[C@@H](O)OC(C)(C)C)C1 ZINC001142141009 1073880658 /nfs/dbraw/zinc/88/06/58/1073880658.db2.gz LVGOGRXEUSWKBI-RDUHTLEXSA-N 1 3 399.496 -1.031 20 0 GAADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cn2cnnn2)[C@H](O)OC(C)(C)C)C1 ZINC001142141010 1073881006 /nfs/dbraw/zinc/88/10/06/1073881006.db2.gz LVGOGRXEUSWKBI-UNPMEBSKSA-N 1 3 399.496 -1.031 20 0 GAADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cn2cnnn2)[C@H](O)OC(C)(C)C)C1 ZINC001142141011 1073880810 /nfs/dbraw/zinc/88/08/10/1073880810.db2.gz LVGOGRXEUSWKBI-YOPIWALVSA-N 1 3 399.496 -1.031 20 0 GAADHO [NH3+]CCCC[C@H](NC(=O)[C@@H]1CCS(=O)(=O)C12CNC2)C(=O)N1CCCC1 ZINC001157371771 1073924609 /nfs/dbraw/zinc/92/46/09/1073924609.db2.gz YXWTZOMKKRWAOM-KBPBESRZSA-N 1 3 386.518 -1.001 20 0 GAADHO [NH3+]CCCC[C@H](NC(=O)[C@H]1CCS(=O)(=O)C12CNC2)C(=O)N1CCCC1 ZINC001157371777 1073924565 /nfs/dbraw/zinc/92/45/65/1073924565.db2.gz YXWTZOMKKRWAOM-KGLIPLIRSA-N 1 3 386.518 -1.001 20 0 GAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1)C(N)=O ZINC001157385977 1073925243 /nfs/dbraw/zinc/92/52/43/1073925243.db2.gz FPLOWVYNJUIOSX-MJBXVCDLSA-N 1 3 398.508 -1.680 20 0 GAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001157386456 1073925064 /nfs/dbraw/zinc/92/50/64/1073925064.db2.gz MLDBIJCNUNFTDU-AVGNSLFASA-N 1 3 384.481 -2.070 20 0 GAADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC(C)([NH3+])C1)C(=O)CF ZINC001157643572 1073927124 /nfs/dbraw/zinc/92/71/24/1073927124.db2.gz BOMKSRZCOQNPRC-MJVIPROJSA-N 1 3 387.456 -1.553 20 0 GAADHO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N(C)C[C@@H]1CNCCO1 ZINC001157720244 1073927205 /nfs/dbraw/zinc/92/72/05/1073927205.db2.gz DLJURBCIANOKEP-JYJNAYRXSA-N 1 3 397.520 -1.168 20 0 GAADHO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N(C)C[C@H]1CNCCO1 ZINC001157720245 1073927282 /nfs/dbraw/zinc/92/72/82/1073927282.db2.gz DLJURBCIANOKEP-PMPSAXMXSA-N 1 3 397.520 -1.168 20 0 GAADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC(=O)N(C2CC2)C(=O)C1 ZINC001157863399 1073928658 /nfs/dbraw/zinc/92/86/58/1073928658.db2.gz WRFKUBRPJBEORN-KBPBESRZSA-N 1 3 379.461 -1.207 20 0 GAADHO CCOC(=O)[C@@H]1CNCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001158000443 1073930065 /nfs/dbraw/zinc/93/00/65/1073930065.db2.gz XJQFFBUAALINPL-KKUMJFAQSA-N 1 3 383.493 -1.203 20 0 GAADHO CCOC(=O)[C@H]1CNCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001158000444 1073929947 /nfs/dbraw/zinc/92/99/47/1073929947.db2.gz XJQFFBUAALINPL-SOUVJXGZSA-N 1 3 383.493 -1.203 20 0 GAADHO N[C@@H](CCCCNC(=O)c1ccccn1)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158092617 1073930511 /nfs/dbraw/zinc/93/05/11/1073930511.db2.gz OHPAWFVUJFNKEO-IFXJQAMLSA-N 1 3 388.472 -1.001 20 0 GAADHO N[C@@H](CCCCNC(=O)c1ccccn1)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158092619 1073930554 /nfs/dbraw/zinc/93/05/54/1073930554.db2.gz OHPAWFVUJFNKEO-LIRRHRJNSA-N 1 3 388.472 -1.001 20 0 GAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1)C(N)=O ZINC001158120183 1073931793 /nfs/dbraw/zinc/93/17/93/1073931793.db2.gz KBVSVUXZZPEALD-RVPKQNPDSA-N 1 3 380.449 -2.978 20 0 GAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1)C(N)=O ZINC001158120184 1073931917 /nfs/dbraw/zinc/93/19/17/1073931917.db2.gz KBVSVUXZZPEALD-WVQJBOLRSA-N 1 3 380.449 -2.978 20 0 GAADHO C[C@H](N)C(=O)N1[C@H](C(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)COC1(C)C ZINC001158120733 1073932018 /nfs/dbraw/zinc/93/20/18/1073932018.db2.gz PPFZCUSLJRQVQM-OAVHHTNSSA-N 1 3 379.461 -1.765 20 0 GAADHO C[C@H](N)C(=O)N1[C@H](C(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)COC1(C)C ZINC001158120735 1073931935 /nfs/dbraw/zinc/93/19/35/1073931935.db2.gz PPFZCUSLJRQVQM-PZROIBLQSA-N 1 3 379.461 -1.765 20 0 GAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1)C(N)=O ZINC001158277568 1073932922 /nfs/dbraw/zinc/93/29/22/1073932922.db2.gz PXWXULUBFVGUOQ-NWDGAFQWSA-N 1 3 392.464 -2.204 20 0 GAADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC2(CC1)COCC(=O)N2 ZINC001158326870 1073932984 /nfs/dbraw/zinc/93/29/84/1073932984.db2.gz OGVQOUVWYSMSPE-GJZGRUSLSA-N 1 3 395.504 -1.059 20 0 GAADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O ZINC001158497516 1073934203 /nfs/dbraw/zinc/93/42/03/1073934203.db2.gz ATMCVMBVWDVLTB-IEECTRCBSA-N 1 3 383.449 -2.164 20 0 GAADHO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001158735013 1073936058 /nfs/dbraw/zinc/93/60/58/1073936058.db2.gz JYDNHLOKSNGGNN-WPRPVWTQSA-N 1 3 389.434 -2.567 20 0 GAADHO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N(Cc1noc2c1CNCC2)S(C)(=O)=O ZINC001158735013 1073936048 /nfs/dbraw/zinc/93/60/48/1073936048.db2.gz JYDNHLOKSNGGNN-WPRPVWTQSA-N 1 3 389.434 -2.567 20 0 GAADHO CN(C)C(=O)COCc1noc2c1CN(C(=O)[C@H]1C[NH2+]CC13CNC3)CC2 ZINC001158747864 1073936752 /nfs/dbraw/zinc/93/67/52/1073936752.db2.gz SHTRJFXGJLLVLD-CYBMUJFWSA-N 1 3 377.445 -1.027 20 0 GAADHO CN(C)C(=O)COCc1noc2c1CN(C(=O)[C@@H]1C[NH2+]CC13CNC3)CC2 ZINC001158747866 1073936815 /nfs/dbraw/zinc/93/68/15/1073936815.db2.gz SHTRJFXGJLLVLD-ZDUSSCGKSA-N 1 3 377.445 -1.027 20 0 GAADHO CC(C)N(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)c1ncnc2c1CC[NH2+]CC2 ZINC001158758546 1073936784 /nfs/dbraw/zinc/93/67/84/1073936784.db2.gz ASZPNLFYECHHID-FZMZJTMJSA-N 1 3 391.476 -1.386 20 0 GAADHO O=C(N1CCn2c(CN3CCOCC3)nnc2C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001158821382 1073938469 /nfs/dbraw/zinc/93/84/69/1073938469.db2.gz JQIKQTPPJOAGJW-RDTXWAMCSA-N 1 3 375.477 -1.348 20 0 GAADHO CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)CC2 ZINC001158890243 1073938776 /nfs/dbraw/zinc/93/87/76/1073938776.db2.gz BUOKMEHICZLMDQ-STQMWFEESA-N 1 3 396.492 -2.103 20 0 GAADHO CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)CC2 ZINC001158890243 1073938770 /nfs/dbraw/zinc/93/87/70/1073938770.db2.gz BUOKMEHICZLMDQ-STQMWFEESA-N 1 3 396.492 -2.103 20 0 GAADHO CNC(=O)CN1CCCC12CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)CC2 ZINC001158890766 1073938420 /nfs/dbraw/zinc/93/84/20/1073938420.db2.gz MOOQXGKIZVADQQ-UHFFFAOYSA-N 1 3 389.522 -1.590 20 0 GAADHO COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001158990932 1073942121 /nfs/dbraw/zinc/94/21/21/1073942121.db2.gz HCMRNWCZFUMBIJ-JSGCOSHPSA-N 1 3 384.506 -1.377 20 0 GAADHO COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001158990933 1073942175 /nfs/dbraw/zinc/94/21/75/1073942175.db2.gz HCMRNWCZFUMBIJ-OCCSQVGLSA-N 1 3 384.506 -1.377 20 0 GAADHO COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@H]2C[NH2+]CC23CNC3)C1 ZINC001158991123 1073942093 /nfs/dbraw/zinc/94/20/93/1073942093.db2.gz IPMZAMGKBFFBQW-DZGCQCFKSA-N 1 3 376.461 -1.587 20 0 GAADHO COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@@H]2C[NH2+]CC23CNC3)C1 ZINC001158991124 1073942159 /nfs/dbraw/zinc/94/21/59/1073942159.db2.gz IPMZAMGKBFFBQW-HIFRSBDPSA-N 1 3 376.461 -1.587 20 0 GAADHO COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@H]2C[NH2+]CC23CNC3)C1 ZINC001158991125 1073942287 /nfs/dbraw/zinc/94/22/87/1073942287.db2.gz IPMZAMGKBFFBQW-UKRRQHHQSA-N 1 3 376.461 -1.587 20 0 GAADHO COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@@H]2C[NH2+]CC23CNC3)C1 ZINC001158991126 1073942214 /nfs/dbraw/zinc/94/22/14/1073942214.db2.gz IPMZAMGKBFFBQW-ZFWWWQNUSA-N 1 3 376.461 -1.587 20 0 GAADHO COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@H](N)C2CC[NH2+]CC2)C1 ZINC001158991734 1073943110 /nfs/dbraw/zinc/94/31/10/1073943110.db2.gz PPDLBEJTZFTGKQ-GDBMZVCRSA-N 1 3 378.477 -1.069 20 0 GAADHO COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@H](N)C2CC[NH2+]CC2)C1 ZINC001158991735 1073942966 /nfs/dbraw/zinc/94/29/66/1073942966.db2.gz PPDLBEJTZFTGKQ-GOEBONIOSA-N 1 3 378.477 -1.069 20 0 GAADHO COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@@H](N)C2CC[NH2+]CC2)C1 ZINC001158991736 1073942949 /nfs/dbraw/zinc/94/29/49/1073942949.db2.gz PPDLBEJTZFTGKQ-HOCLYGCPSA-N 1 3 378.477 -1.069 20 0 GAADHO COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@@H](N)C2CC[NH2+]CC2)C1 ZINC001158991737 1073943095 /nfs/dbraw/zinc/94/30/95/1073943095.db2.gz PPDLBEJTZFTGKQ-ZBFHGGJFSA-N 1 3 378.477 -1.069 20 0 GAADHO COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001158991764 1073942739 /nfs/dbraw/zinc/94/27/39/1073942739.db2.gz PZEYWMMLAHSYCK-QMTMVMCOSA-N 1 3 390.488 -1.197 20 0 GAADHO COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001158991766 1073943184 /nfs/dbraw/zinc/94/31/84/1073943184.db2.gz PZEYWMMLAHSYCK-SPYBWZPUSA-N 1 3 390.488 -1.197 20 0 GAADHO O=C(Nc1cnccn1)[C@H]1COC[C@H]2CN(C(=O)[C@H]3C[NH2+]CC34CNC4)C[C@H]21 ZINC001159071674 1073943552 /nfs/dbraw/zinc/94/35/52/1073943552.db2.gz ACMJFLIUSMHSQD-APIJFGDWSA-N 1 3 386.456 -1.055 20 0 GAADHO O=C(Nc1cnccn1)[C@H]1COC[C@H]2CN(C(=O)[C@@H]3C[NH2+]CC34CNC4)C[C@H]21 ZINC001159071675 1073943671 /nfs/dbraw/zinc/94/36/71/1073943671.db2.gz ACMJFLIUSMHSQD-KBXIAJHMSA-N 1 3 386.456 -1.055 20 0 GAADHO Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)[C@@H](N)CCC[NH3+])CC2 ZINC001159073898 1073943572 /nfs/dbraw/zinc/94/35/72/1073943572.db2.gz FCQFYHMMFVESGM-AWEZNQCLSA-N 1 3 377.493 -1.241 20 0 GAADHO Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)[C@H](N)CCC[NH3+])CC2 ZINC001159073899 1073944198 /nfs/dbraw/zinc/94/41/98/1073944198.db2.gz FCQFYHMMFVESGM-CQSZACIVSA-N 1 3 377.493 -1.241 20 0 GAADHO CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)[C@H]3C[NH2+]CC34CNC4)C2)C1 ZINC001159123945 1073946333 /nfs/dbraw/zinc/94/63/33/1073946333.db2.gz LCMXTXNORGPBOC-CRAIPNDOSA-N 1 3 379.505 -1.518 20 0 GAADHO CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)[C@@H]3C[NH2+]CC34CNC4)C2)C1 ZINC001159123946 1073946568 /nfs/dbraw/zinc/94/65/68/1073946568.db2.gz LCMXTXNORGPBOC-MAUKXSAKSA-N 1 3 379.505 -1.518 20 0 GAADHO CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)[C@H]3C[NH2+]CC34CNC4)C2)C1 ZINC001159123947 1073946510 /nfs/dbraw/zinc/94/65/10/1073946510.db2.gz LCMXTXNORGPBOC-QAPCUYQASA-N 1 3 379.505 -1.518 20 0 GAADHO CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)[C@@H]3C[NH2+]CC34CNC4)C2)C1 ZINC001159123948 1073946493 /nfs/dbraw/zinc/94/64/93/1073946493.db2.gz LCMXTXNORGPBOC-YJBOKZPZSA-N 1 3 379.505 -1.518 20 0 GAADHO CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)[C@]34C[NH2+]C[C@H]3CNCC4)C2)C1 ZINC001159124570 1073946454 /nfs/dbraw/zinc/94/64/54/1073946454.db2.gz OKHOSUHITQUNBG-LSTHTHJFSA-N 1 3 393.532 -1.128 20 0 GAADHO CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)[C@]34C[NH2+]C[C@H]3CNCC4)C2)C1 ZINC001159124574 1073946600 /nfs/dbraw/zinc/94/66/00/1073946600.db2.gz OKHOSUHITQUNBG-NSISKUIASA-N 1 3 393.532 -1.128 20 0 GAADHO CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)[C@@H](N)CSCC[NH3+])C2)C1 ZINC001159126030 1073946536 /nfs/dbraw/zinc/94/65/36/1073946536.db2.gz KISIRPLJOIUDHR-WMLDXEAASA-N 1 3 387.550 -1.307 20 0 GAADHO CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)[C@@H](N)CSCC[NH3+])C2)C1 ZINC001159126031 1073946433 /nfs/dbraw/zinc/94/64/33/1073946433.db2.gz KISIRPLJOIUDHR-YOEHRIQHSA-N 1 3 387.550 -1.307 20 0 GAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1Cc2nccn2C[C@H](C[NH+](C)C)C1 ZINC001159132553 1073947286 /nfs/dbraw/zinc/94/72/86/1073947286.db2.gz ANHDUPJHVKRBQQ-AVGNSLFASA-N 1 3 379.465 -1.890 20 0 GAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1Cc2nccn2C[C@@H](C[NH+](C)C)C1 ZINC001159132556 1073947454 /nfs/dbraw/zinc/94/74/54/1073947454.db2.gz ANHDUPJHVKRBQQ-XQQFMLRXSA-N 1 3 379.465 -1.890 20 0 GAADHO C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@H](N)CCCNC(N)=O)CC2 ZINC001159189203 1073947306 /nfs/dbraw/zinc/94/73/06/1073947306.db2.gz BGUSOUKPGFFPBG-GFCCVEGCSA-N 1 3 395.464 -1.374 20 0 GAADHO C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@H](N)CC[S@@](C)=O)CC2 ZINC001159190486 1073948043 /nfs/dbraw/zinc/94/80/43/1073948043.db2.gz KMVYAAXTRVKMNG-GWQKEKGPSA-N 1 3 385.490 -1.053 20 0 GAADHO C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@H](N)CC[S@](C)=O)CC2 ZINC001159190487 1073948121 /nfs/dbraw/zinc/94/81/21/1073948121.db2.gz KMVYAAXTRVKMNG-QDXKXIGTSA-N 1 3 385.490 -1.053 20 0 GAADHO COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001159224358 1073948673 /nfs/dbraw/zinc/94/86/73/1073948673.db2.gz IJICBUVJHZSUFY-KBPBESRZSA-N 1 3 386.460 -1.155 20 0 GAADHO COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001159224361 1073948621 /nfs/dbraw/zinc/94/86/21/1073948621.db2.gz IJICBUVJHZSUFY-KGLIPLIRSA-N 1 3 386.460 -1.155 20 0 GAADHO COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001159224364 1073948755 /nfs/dbraw/zinc/94/87/55/1073948755.db2.gz IJICBUVJHZSUFY-UONOGXRCSA-N 1 3 386.460 -1.155 20 0 GAADHO COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001159224366 1073948845 /nfs/dbraw/zinc/94/88/45/1073948845.db2.gz IJICBUVJHZSUFY-ZIAGYGMSSA-N 1 3 386.460 -1.155 20 0 GAADHO O=C(NCc1cnc2n1CCN(C(=O)[C@H]1C[NH2+]CC13CNC3)C2)c1ccno1 ZINC001159272765 1073949510 /nfs/dbraw/zinc/94/95/10/1073949510.db2.gz OJSQUSQFEAHDJS-CYBMUJFWSA-N 1 3 385.428 -1.048 20 0 GAADHO O=C(NCc1cnc2n1CCN(C(=O)[C@@H]1C[NH2+]CC13CNC3)C2)c1ccno1 ZINC001159272766 1073949488 /nfs/dbraw/zinc/94/94/88/1073949488.db2.gz OJSQUSQFEAHDJS-ZDUSSCGKSA-N 1 3 385.428 -1.048 20 0 GAADHO O=C([C@H]1COC2(CNC2)CN1)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159402942 1073949953 /nfs/dbraw/zinc/94/99/53/1073949953.db2.gz LKGLTGPPPAJUEQ-CAOSSQGBSA-N 1 3 388.472 -1.236 20 0 GAADHO O=C([C@@H]1COC2(CNC2)CN1)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159402944 1073949912 /nfs/dbraw/zinc/94/99/12/1073949912.db2.gz LKGLTGPPPAJUEQ-YHUYYLMFSA-N 1 3 388.472 -1.236 20 0 GAADHO CN1CCN(Cc2cn3c(n2)CN(C(=O)[C@@H](N)CSCC[NH3+])CC3)CC1 ZINC001159424967 1073949883 /nfs/dbraw/zinc/94/98/83/1073949883.db2.gz NVSXWUAFUJBAAO-HNNXBMFYSA-N 1 3 381.550 -1.008 20 0 GAADHO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCn2cc(CN3CCN(C)CC3)nc2C1 ZINC001159426596 1073950112 /nfs/dbraw/zinc/95/01/12/1073950112.db2.gz YJSNOSLBWDXNLA-ZFWWWQNUSA-N 1 3 393.492 -2.203 20 0 GAADHO CN(C)C(=O)CN1CC[C@]2(CCCN(C(=O)[C@@H](N)CSCC[NH3+])C2)C1=O ZINC001159491929 1073951485 /nfs/dbraw/zinc/95/14/85/1073951485.db2.gz HFAZVBQGQBYAMB-GUYCJALGSA-N 1 3 385.534 -1.065 20 0 GAADHO CN(C)C(=O)CN1CC[C@@]2(CCCN(C(=O)[C@@H](N)CSCC[NH3+])C2)C1=O ZINC001159491931 1073951465 /nfs/dbraw/zinc/95/14/65/1073951465.db2.gz HFAZVBQGQBYAMB-SUMWQHHRSA-N 1 3 385.534 -1.065 20 0 GAADHO CN(C)C(=O)CN1CC[C@@]2(CCCN(C(=O)[C@@H]3C[NH2+]CC34CNC4)C2)C1=O ZINC001159493598 1073952098 /nfs/dbraw/zinc/95/20/98/1073952098.db2.gz UQFKBTZVNQVQMS-KBXCAEBGSA-N 1 3 377.489 -1.275 20 0 GAADHO CN(C)C(=O)CN1CC[C@]2(CCCN(C(=O)[C@H]3C[NH2+]CC34CNC4)C2)C1=O ZINC001159493600 1073952070 /nfs/dbraw/zinc/95/20/70/1073952070.db2.gz UQFKBTZVNQVQMS-KDOFPFPSSA-N 1 3 377.489 -1.275 20 0 GAADHO CN(C)C(=O)CN1CC[C@]2(CCCN(C(=O)[C@@H]3C[NH2+]CC34CNC4)C2)C1=O ZINC001159493603 1073951948 /nfs/dbraw/zinc/95/19/48/1073951948.db2.gz UQFKBTZVNQVQMS-KSSFIOAISA-N 1 3 377.489 -1.275 20 0 GAADHO CN(C)C(=O)CN1CC[C@@]2(CCCN(C(=O)[C@H]3C[NH2+]CC34CNC4)C2)C1=O ZINC001159493605 1073952169 /nfs/dbraw/zinc/95/21/69/1073952169.db2.gz UQFKBTZVNQVQMS-RDTXWAMCSA-N 1 3 377.489 -1.275 20 0 GAADHO Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(C(=O)[C@@H]1C[C@H](N)C[NH2+]1)C2 ZINC001159528910 1073953190 /nfs/dbraw/zinc/95/31/90/1073953190.db2.gz JCFHYNYJNUFVPE-JYJNAYRXSA-N 1 3 392.504 -1.116 20 0 GAADHO Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(C(=O)[C@@H]1C[C@@H](N)C[NH2+]1)C2 ZINC001159528915 1073953121 /nfs/dbraw/zinc/95/31/21/1073953121.db2.gz JCFHYNYJNUFVPE-OAGGEKHMSA-N 1 3 392.504 -1.116 20 0 GAADHO Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(C(=O)[C@@H]1C[C@H](N)C[NH2+]1)C2 ZINC001159528917 1073953181 /nfs/dbraw/zinc/95/31/81/1073953181.db2.gz JCFHYNYJNUFVPE-PMPSAXMXSA-N 1 3 392.504 -1.116 20 0 GAADHO Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(C(=O)[C@@H]1C[C@@H](N)C[NH2+]1)C2 ZINC001159528920 1073953247 /nfs/dbraw/zinc/95/32/47/1073953247.db2.gz JCFHYNYJNUFVPE-XHSDSOJGSA-N 1 3 392.504 -1.116 20 0 GAADHO COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)CC[C@@H]2C1 ZINC001159636065 1073955825 /nfs/dbraw/zinc/95/58/25/1073955825.db2.gz RCTXAYJRVCVGAE-LJISPDSOSA-N 1 3 399.492 -2.111 20 0 GAADHO COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)CC[C@@H]2C1 ZINC001159636065 1073955820 /nfs/dbraw/zinc/95/58/20/1073955820.db2.gz RCTXAYJRVCVGAE-LJISPDSOSA-N 1 3 399.492 -2.111 20 0 GAADHO O=C(COC[C@]12COC[C@H]1CN(C(=O)[C@@H]1C[NH2+]CC13CNC3)C2)N1CCCC1 ZINC001159738138 1073957634 /nfs/dbraw/zinc/95/76/34/1073957634.db2.gz QNWCSXJUTPKABZ-GUXCAODWSA-N 1 3 392.500 -1.091 20 0 GAADHO O=C(COC[C@]12COC[C@H]1CN(C(=O)[C@H]1C[NH2+]CC13CNC3)C2)N1CCCC1 ZINC001159738139 1073957602 /nfs/dbraw/zinc/95/76/02/1073957602.db2.gz QNWCSXJUTPKABZ-QINHECLXSA-N 1 3 392.500 -1.091 20 0 GAADHO O=C(C[C@@H]1COC[C@H]2CN(C(=O)[C@@H]3C[NH2+]CC34CNC4)C[C@H]21)N1CCOCC1 ZINC001159768797 1073958139 /nfs/dbraw/zinc/95/81/39/1073958139.db2.gz ZHXDUEFMGXFPPJ-NCOADZHNSA-N 1 3 392.500 -1.235 20 0 GAADHO O=C(C[C@@H]1COC[C@H]2CN(C(=O)[C@H]3C[NH2+]CC34CNC4)C[C@H]21)N1CCOCC1 ZINC001159768801 1073957942 /nfs/dbraw/zinc/95/79/42/1073957942.db2.gz ZHXDUEFMGXFPPJ-WCXIOVBPSA-N 1 3 392.500 -1.235 20 0 GAADHO COCCN1CCO[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CNCC4)CC[C@H]2C1=O ZINC001159919010 1073959355 /nfs/dbraw/zinc/95/93/55/1073959355.db2.gz YNMSBKRURGBKRT-OAFZBRQQSA-N 1 3 380.489 -1.092 20 0 GAADHO CN(C)S(=O)(=O)N1CC[C@@H]2CN(C(=O)[C@@H](N)CSCC[NH3+])C[C@H]2C1 ZINC001160007059 1073960546 /nfs/dbraw/zinc/96/05/46/1073960546.db2.gz CFPFDPFZMDOHCL-AGIUHOORSA-N 1 3 379.552 -1.408 20 0 GAADHO CN(C)S(=O)(=O)N1CC[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CNCC4)C[C@H]2C1 ZINC001160007287 1073960605 /nfs/dbraw/zinc/96/06/05/1073960605.db2.gz IGBOYTYMRMPJMN-JYYAWHABSA-N 1 3 385.534 -1.228 20 0 GAADHO Cn1cccc1C(=O)N[C@@H]1CN(C(=O)[C@@H](N)CSCC[NH3+])[C@@H]2COC[C@H]12 ZINC001160084977 1073960947 /nfs/dbraw/zinc/96/09/47/1073960947.db2.gz HHNBAWDJRHPWDK-QVHKTLOISA-N 1 3 381.502 -1.000 20 0 GAADHO Cn1ccnc1C(=O)N[C@H]1CN(C(=O)[C@@H]2C[NH2+]CC23CNC3)[C@@H]2CCCO[C@@H]21 ZINC001160212781 1073966523 /nfs/dbraw/zinc/96/65/23/1073966523.db2.gz QKXBESPDWVUWID-BYNSBNAKSA-N 1 3 388.472 -1.283 20 0 GAADHO Cn1ccnc1C(=O)N[C@H]1CN(C(=O)[C@H]2C[NH2+]CC23CNC3)[C@@H]2CCCO[C@@H]21 ZINC001160212782 1073966344 /nfs/dbraw/zinc/96/63/44/1073966344.db2.gz QKXBESPDWVUWID-LXTVHRRPSA-N 1 3 388.472 -1.283 20 0 GAADHO Cn1ccnc1C(=O)N[C@H]1CN(C(=O)[C@@H](N)CSCC[NH3+])[C@@H]2CCCO[C@@H]21 ZINC001160213749 1073966991 /nfs/dbraw/zinc/96/69/91/1073966991.db2.gz ZBGHLDDMLMFSKT-IGQOVBAYSA-N 1 3 396.517 -1.073 20 0 GAADHO CN(C)C(=O)Cn1c2c(ccc1=O)CCN(C(=O)[C@@H](N)CSCC[NH3+])CC2 ZINC001160266415 1073967665 /nfs/dbraw/zinc/96/76/65/1073967665.db2.gz KJAFWYARPAWICC-AWEZNQCLSA-N 1 3 395.529 -1.117 20 0 GAADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCO[C@]2(C1)COCCN(c1ncccn1)C2 ZINC001160343368 1073968190 /nfs/dbraw/zinc/96/81/90/1073968190.db2.gz IFMAMKDSBWVQDB-BEFAXECRSA-N 1 3 388.472 -1.280 20 0 GAADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCO[C@@]2(C1)COCCN(c1ncccn1)C2 ZINC001160343369 1073968147 /nfs/dbraw/zinc/96/81/47/1073968147.db2.gz IFMAMKDSBWVQDB-DNVCBOLYSA-N 1 3 388.472 -1.280 20 0 GAADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCO[C@@]2(C1)COCCN(c1ncccn1)C2 ZINC001160343370 1073968013 /nfs/dbraw/zinc/96/80/13/1073968013.db2.gz IFMAMKDSBWVQDB-HNAYVOBHSA-N 1 3 388.472 -1.280 20 0 GAADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCO[C@]2(C1)COCCN(c1ncccn1)C2 ZINC001160343371 1073968051 /nfs/dbraw/zinc/96/80/51/1073968051.db2.gz IFMAMKDSBWVQDB-KXBFYZLASA-N 1 3 388.472 -1.280 20 0 GAADHO N[C@@H](CSCC[NH3+])C(=O)N1CCO[C@@]2(C1)COCCN(c1ncccn1)C2 ZINC001160353259 1073969266 /nfs/dbraw/zinc/96/92/66/1073969266.db2.gz NTTKJHHTXWRJMC-WMLDXEAASA-N 1 3 396.517 -1.070 20 0 GAADHO N[C@@H](CSCC[NH3+])C(=O)N1CCO[C@]2(C1)COCCN(c1ncccn1)C2 ZINC001160353261 1073969393 /nfs/dbraw/zinc/96/93/93/1073969393.db2.gz NTTKJHHTXWRJMC-YOEHRIQHSA-N 1 3 396.517 -1.070 20 0 GAADHO CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@@H](N)C1CC[NH2+]CC1)C2 ZINC001160380299 1073969829 /nfs/dbraw/zinc/96/98/29/1073969829.db2.gz CRXMWDKMCRHBAG-INIZCTEOSA-N 1 3 379.465 -1.448 20 0 GAADHO CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@H](N)C1CC[NH2+]CC1)C2 ZINC001160380302 1073969884 /nfs/dbraw/zinc/96/98/84/1073969884.db2.gz CRXMWDKMCRHBAG-MRXNPFEDSA-N 1 3 379.465 -1.448 20 0 GAADHO CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@H]1C[NH2+]CC13CNC3)C2 ZINC001160381512 1073969810 /nfs/dbraw/zinc/96/98/10/1073969810.db2.gz WGSRWRNXKITGCG-GFCCVEGCSA-N 1 3 377.449 -1.966 20 0 GAADHO CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@@H]1C[NH2+]CC13CNC3)C2 ZINC001160381513 1073970579 /nfs/dbraw/zinc/97/05/79/1073970579.db2.gz WGSRWRNXKITGCG-LBPRGKRZSA-N 1 3 377.449 -1.966 20 0 GAADHO CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@@H](N)CSCC[NH3+])C2 ZINC001160381632 1073970365 /nfs/dbraw/zinc/97/03/65/1073970365.db2.gz WZGCLLVQUABPAP-NSHDSACASA-N 1 3 385.494 -1.756 20 0 GAADHO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001160391471 1073970448 /nfs/dbraw/zinc/97/04/48/1073970448.db2.gz MUQOHKFCAOWUAR-KBPBESRZSA-N 1 3 383.493 -1.644 20 0 GAADHO Cn1cc(C(=O)N[C@H]2CN(C(=O)[C@@H](N)CSCC[NH3+])[C@@H]3CCCO[C@@H]32)cn1 ZINC001160399112 1073970400 /nfs/dbraw/zinc/97/04/00/1073970400.db2.gz PLBCAPGPPUEUAR-BYNSBNAKSA-N 1 3 396.517 -1.073 20 0 GAADHO Cn1cc(C(=O)N[C@H]2CN(C(=O)[C@@H]3C[NH2+]CC34CNC4)[C@@H]3CCCO[C@@H]32)cn1 ZINC001160401715 1073971054 /nfs/dbraw/zinc/97/10/54/1073971054.db2.gz YZAGKLMBUWMPNL-CAOSSQGBSA-N 1 3 388.472 -1.283 20 0 GAADHO Cn1cc(C(=O)N[C@H]2CN(C(=O)[C@H]3C[NH2+]CC34CNC4)[C@@H]3CCCO[C@@H]32)cn1 ZINC001160401716 1073971252 /nfs/dbraw/zinc/97/12/52/1073971252.db2.gz YZAGKLMBUWMPNL-QKPAOTATSA-N 1 3 388.472 -1.283 20 0 GAADHO Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@@H](N)CCC[NH3+])CC2 ZINC001160405654 1073971067 /nfs/dbraw/zinc/97/10/67/1073971067.db2.gz XYCGHDUFGIITGR-AWEZNQCLSA-N 1 3 388.476 -1.003 20 0 GAADHO Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@H](N)CCC[NH3+])CC2 ZINC001160405664 1073971146 /nfs/dbraw/zinc/97/11/46/1073971146.db2.gz XYCGHDUFGIITGR-CQSZACIVSA-N 1 3 388.476 -1.003 20 0 GAADHO CC(C)C(=O)N1CCO[C@]2(C1)COCCN(C(=O)[C@H]1C[NH2+]CC13CNC3)C2 ZINC001160418840 1073971759 /nfs/dbraw/zinc/97/17/59/1073971759.db2.gz MXMBJQVZOOPJRR-BEFAXECRSA-N 1 3 380.489 -1.092 20 0 GAADHO CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(C(=O)[C@H]1C[NH2+]CC13CNC3)C2 ZINC001160418841 1073971882 /nfs/dbraw/zinc/97/18/82/1073971882.db2.gz MXMBJQVZOOPJRR-DNVCBOLYSA-N 1 3 380.489 -1.092 20 0 GAADHO CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(C(=O)[C@@H]1C[NH2+]CC13CNC3)C2 ZINC001160418842 1073971789 /nfs/dbraw/zinc/97/17/89/1073971789.db2.gz MXMBJQVZOOPJRR-HNAYVOBHSA-N 1 3 380.489 -1.092 20 0 GAADHO CC(C)C(=O)N1CCO[C@]2(C1)COCCN(C(=O)[C@@H]1C[NH2+]CC13CNC3)C2 ZINC001160418843 1073971901 /nfs/dbraw/zinc/97/19/01/1073971901.db2.gz MXMBJQVZOOPJRR-KXBFYZLASA-N 1 3 380.489 -1.092 20 0 GAADHO COc1cc(OC)nc(CN2CCN(C(=O)[C@H]3C[NH2+]CC34CNC4)CC2)n1 ZINC001160429713 1073972453 /nfs/dbraw/zinc/97/24/53/1073972453.db2.gz XUGUMMGWELXXBN-CYBMUJFWSA-N 1 3 376.461 -1.053 20 0 GAADHO COc1cc(OC)nc(CN2CCN(C(=O)[C@@H]3C[NH2+]CC34CNC4)CC2)n1 ZINC001160429716 1073972511 /nfs/dbraw/zinc/97/25/11/1073972511.db2.gz XUGUMMGWELXXBN-ZDUSSCGKSA-N 1 3 376.461 -1.053 20 0 GAADHO CS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])CC1 ZINC001160431948 1073972528 /nfs/dbraw/zinc/97/25/28/1073972528.db2.gz JFMLZGIUCXVXTK-KBPBESRZSA-N 1 3 389.522 -1.463 20 0 GAADHO COC(=O)CN1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])CC1 ZINC001160531188 1073974501 /nfs/dbraw/zinc/97/45/01/1073974501.db2.gz JTSVPJYRVMHKFG-GJZGRUSLSA-N 1 3 383.493 -1.249 20 0 GAADHO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC[NH3+])C(=O)NCC(N)=O ZINC001160628372 1073976179 /nfs/dbraw/zinc/97/61/79/1073976179.db2.gz HRTRFSSWXCMPGO-IHRRRGAJSA-N 1 3 398.508 -1.824 20 0 GAADHO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)CCC[NH3+])C(=O)NCC(N)=O ZINC001160628388 1073976203 /nfs/dbraw/zinc/97/62/03/1073976203.db2.gz HRTRFSSWXCMPGO-RDBSUJKOSA-N 1 3 398.508 -1.824 20 0 GAADHO CN1CCN(C2CN(C(=O)[C@@H]3CCCN3C(=O)[C@@H](N)CCCC[NH3+])C2)CC1=O ZINC001160635894 1073976818 /nfs/dbraw/zinc/97/68/18/1073976818.db2.gz MXIFMRPGQNULRH-HOTGVXAUSA-N 1 3 394.520 -1.582 20 0 GAADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC(N2CCNC(=O)C2)C1 ZINC001160635899 1073976731 /nfs/dbraw/zinc/97/67/31/1073976731.db2.gz FOQDRXQPMYYBGT-GJZGRUSLSA-N 1 3 380.493 -1.924 20 0 GAADHO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160654906 1073977338 /nfs/dbraw/zinc/97/73/38/1073977338.db2.gz FTJUQWREZHEDBI-XFIYOXNOSA-N 1 3 397.520 -1.224 20 0 GAADHO CS(=O)(=O)NC1CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001160661235 1073977937 /nfs/dbraw/zinc/97/79/37/1073977937.db2.gz OFZAMXYRBAIWEX-STQMWFEESA-N 1 3 375.495 -1.806 20 0 GAADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC2(CC1)CNC(=O)CO2 ZINC001160772445 1073979371 /nfs/dbraw/zinc/97/93/71/1073979371.db2.gz RTDWODPPCKZOGI-GJZGRUSLSA-N 1 3 395.504 -1.059 20 0 GAADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCN2C(=O)COC[C@H]2C1 ZINC001160791202 1073980598 /nfs/dbraw/zinc/98/05/98/1073980598.db2.gz YWNOHUSSUXECPQ-ILXRZTDVSA-N 1 3 381.477 -1.497 20 0 GAADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCN2C(=O)COC[C@@H]2C1 ZINC001160791203 1073980727 /nfs/dbraw/zinc/98/07/27/1073980727.db2.gz YWNOHUSSUXECPQ-KKUMJFAQSA-N 1 3 381.477 -1.497 20 0 GAADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3CCS(=O)(=O)C34CNC4)C[C@H]1C2 ZINC001160791977 1073980800 /nfs/dbraw/zinc/98/08/00/1073980800.db2.gz KBVUHRAFNDLREV-KAHPBISDSA-N 1 3 397.497 -1.380 20 0 GAADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H]3CCS(=O)(=O)C34CNC4)C[C@H]1C2 ZINC001160791978 1073980685 /nfs/dbraw/zinc/98/06/85/1073980685.db2.gz KBVUHRAFNDLREV-RFJMFJJWSA-N 1 3 397.497 -1.380 20 0 GAADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C[C@H]1C2 ZINC001160797927 1073981288 /nfs/dbraw/zinc/98/12/88/1073981288.db2.gz XIDMUOYYXDCMLW-ROFINAPYSA-N 1 3 395.460 -2.449 20 0 GAADHO CCOC(=O)[C@]12CN(C(=O)[C@@H]3CCS(=O)(=O)C34CNC4)C[C@H]1C[NH2+]CC2 ZINC001160811660 1073981182 /nfs/dbraw/zinc/98/11/82/1073981182.db2.gz RVAWGCKZYXUHTO-DVOMOZLQSA-N 1 3 385.486 -1.236 20 0 GAADHO CCOC(=O)[C@]12CN(C(=O)[C@H]3CCS(=O)(=O)C34CNC4)C[C@H]1C[NH2+]CC2 ZINC001160811661 1073981314 /nfs/dbraw/zinc/98/13/14/1073981314.db2.gz RVAWGCKZYXUHTO-XJKCOSOUSA-N 1 3 385.486 -1.236 20 0 GAADHO CCOC(=O)[C@]12CN(C(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)C[C@H]1C[NH2+]CC2 ZINC001160813947 1073981362 /nfs/dbraw/zinc/98/13/62/1073981362.db2.gz MXKLFYFFVLTXMW-NVAPZFDKSA-N 1 3 397.476 -1.915 20 0 GAADHO CCOC(=O)[C@]12CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C[C@H]1C[NH2+]CC2 ZINC001160814320 1073981966 /nfs/dbraw/zinc/98/19/66/1073981966.db2.gz YZVJMJIVQQEWAE-HBGPKNEHSA-N 1 3 383.449 -2.305 20 0 GAADHO COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])CCN1C ZINC001160871425 1073982584 /nfs/dbraw/zinc/98/25/84/1073982584.db2.gz VAPQVBZBZCAUMB-KKUMJFAQSA-N 1 3 383.493 -1.251 20 0 GAADHO COC(=O)[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])CCN1C ZINC001160871426 1073982621 /nfs/dbraw/zinc/98/26/21/1073982621.db2.gz VAPQVBZBZCAUMB-SOUVJXGZSA-N 1 3 383.493 -1.251 20 0 GAADHO C[C@](N)(CO)C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161118231 1073985256 /nfs/dbraw/zinc/98/52/56/1073985256.db2.gz CISGDWXMPWWLFT-XEZPLFJOSA-N 1 3 389.447 -1.562 20 0 GAADHO CO[C@@H](CN)C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161122970 1073985221 /nfs/dbraw/zinc/98/52/21/1073985221.db2.gz NAJKTYVDMWILFL-IHRRRGAJSA-N 1 3 389.447 -1.298 20 0 GAADHO CN[C@@H](CO)C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161123741 1073985343 /nfs/dbraw/zinc/98/53/43/1073985343.db2.gz SGQQUAUYDXJXBD-IHRRRGAJSA-N 1 3 389.447 -1.691 20 0 GAADHO O=C([C@H]1COC2(CNC2)CN1)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196396 1073986428 /nfs/dbraw/zinc/98/64/28/1073986428.db2.gz GCUXANLAQXYLKB-GOSISDBHSA-N 1 3 395.548 -1.133 20 0 GAADHO O=C([C@@H]1COC2(CNC2)CN1)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196397 1073986475 /nfs/dbraw/zinc/98/64/75/1073986475.db2.gz GCUXANLAQXYLKB-SFHVURJKSA-N 1 3 395.548 -1.133 20 0 GAADHO COC(=O)[C@@H]1CN(C)CCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001161236953 1073986388 /nfs/dbraw/zinc/98/63/88/1073986388.db2.gz IDXHPXYJMSCDJZ-KKUMJFAQSA-N 1 3 383.493 -1.251 20 0 GAADHO COC(=O)[C@H]1CN(C)CCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001161236955 1073986410 /nfs/dbraw/zinc/98/64/10/1073986410.db2.gz IDXHPXYJMSCDJZ-SOUVJXGZSA-N 1 3 383.493 -1.251 20 0 GAADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCN(c2ncncn2)CC1 ZINC001161248140 1073987080 /nfs/dbraw/zinc/98/70/80/1073987080.db2.gz RWGKHHMMZKZSCA-GJZGRUSLSA-N 1 3 390.492 -1.033 20 0 GAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001161276213 1073986939 /nfs/dbraw/zinc/98/69/39/1073986939.db2.gz RLCPMGUDLDBORE-QEJZJMRPSA-N 1 3 376.461 -1.130 20 0 GAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N(C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161321855 1073988185 /nfs/dbraw/zinc/98/81/85/1073988185.db2.gz RBOVUONTABWQDB-ABHRYQDASA-N 1 3 383.493 -1.029 20 0 GAADHO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161377090 1073988125 /nfs/dbraw/zinc/98/81/25/1073988125.db2.gz FGFUYTPYROTQLD-BPUTZDHNSA-N 1 3 394.520 -1.535 20 0 GAADHO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161377092 1073988752 /nfs/dbraw/zinc/98/87/52/1073988752.db2.gz FGFUYTPYROTQLD-IMJJTQAJSA-N 1 3 394.520 -1.535 20 0 GAADHO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161378758 1073988577 /nfs/dbraw/zinc/98/85/77/1073988577.db2.gz MQWQVVUFTGGZGU-CYBMUJFWSA-N 1 3 397.480 -3.682 20 0 GAADHO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161378763 1073988854 /nfs/dbraw/zinc/98/88/54/1073988854.db2.gz MQWQVVUFTGGZGU-ZDUSSCGKSA-N 1 3 397.480 -3.682 20 0 GAADHO COc1ccnc(N(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C2CC[NH2+]CC2)c1 ZINC001161385939 1073988600 /nfs/dbraw/zinc/98/86/00/1073988600.db2.gz MBTILQFKFRHFGT-FZMZJTMJSA-N 1 3 392.460 -1.117 20 0 GAADHO COc1cc(N(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C2CC[NH2+]CC2)ccn1 ZINC001161387101 1073988648 /nfs/dbraw/zinc/98/86/48/1073988648.db2.gz ZXMSTUYEENOIEX-FZMZJTMJSA-N 1 3 392.460 -1.117 20 0 GAADHO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)CC2 ZINC001161481093 1073990073 /nfs/dbraw/zinc/99/00/73/1073990073.db2.gz RYHDAJOBCYGOIX-AEMSQSNESA-N 1 3 383.449 -2.163 20 0 GAADHO COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)CC2 ZINC001161481096 1073990146 /nfs/dbraw/zinc/99/01/46/1073990146.db2.gz RYHDAJOBCYGOIX-HBGPKNEHSA-N 1 3 383.449 -2.163 20 0 GAADHO COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)CC2 ZINC001161481099 1073990182 /nfs/dbraw/zinc/99/01/82/1073990182.db2.gz RYHDAJOBCYGOIX-JJHQXXDFSA-N 1 3 383.449 -2.163 20 0 GAADHO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)CC2 ZINC001161481101 1073990172 /nfs/dbraw/zinc/99/01/72/1073990172.db2.gz RYHDAJOBCYGOIX-SHFDMQKMSA-N 1 3 383.449 -2.163 20 0 GAADHO Nc1nc(=O)c2ncn([C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c2n1-c1ccc2c(n1)CCNC2 ZINC001161484477 1073990024 /nfs/dbraw/zinc/99/00/24/1073990024.db2.gz JEDAARIXNGHZRX-ZKYQVNSYSA-N 1 3 398.427 -1.188 20 0 GAADHO Cc1cnc(-n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)c(CN)c1 ZINC001161485919 1073990677 /nfs/dbraw/zinc/99/06/77/1073990677.db2.gz SGBQDMJHQUGWMF-QJPTWQEYSA-N 1 3 386.416 -1.066 20 0 GAADHO CC(=O)N1CC2(C1)CN(C(=O)[C@]13C[NH2+]C[C@H]1CNCC3)C[C@@H]2C(=O)N(C)C ZINC001161506233 1073990605 /nfs/dbraw/zinc/99/06/05/1073990605.db2.gz CSRYYPXWLYHUGI-SPYBWZPUSA-N 1 3 377.489 -1.419 20 0 GAADHO CC(=O)N1CC2(C1)CN(C(=O)[C@]13C[NH2+]C[C@H]1CNCC3)C[C@H]2C(=O)N(C)C ZINC001161506234 1073990718 /nfs/dbraw/zinc/99/07/18/1073990718.db2.gz CSRYYPXWLYHUGI-ZRGWGRIASA-N 1 3 377.489 -1.419 20 0 GAADHO Nc1cn(C(=O)[C@@H]2COC3(CNC3)CN2)ccc1=[NH+]CCN1CCOCC1 ZINC001218620947 1074022524 /nfs/dbraw/zinc/02/25/24/1074022524.db2.gz SVXOKSZBBQFSSB-INIZCTEOSA-N 1 3 376.461 -1.726 20 0 GAADHO Nc1cn(C(=O)[C@H]2COC3(CNC3)CN2)ccc1=[NH+]CCN1CCOCC1 ZINC001218620948 1074022462 /nfs/dbraw/zinc/02/24/62/1074022462.db2.gz SVXOKSZBBQFSSB-MRXNPFEDSA-N 1 3 376.461 -1.726 20 0 GAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N(c1ncccc1N)C1CC[NH2+]CC1)C(N)=O ZINC001218695938 1074023746 /nfs/dbraw/zinc/02/37/46/1074023746.db2.gz KSSHQVAPRSWEMB-SMDDNHRTSA-N 1 3 391.476 -1.154 20 0 GAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N(c1ncccc1N)C1CC[NH2+]CC1 ZINC001218696074 1074023766 /nfs/dbraw/zinc/02/37/66/1074023766.db2.gz LXRPKNONFBTYEV-GWCFXTLKSA-N 1 3 377.449 -1.544 20 0 GAADHO N=c1nc2c(ncn2COCCO)c(N)n1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218701702 1074023713 /nfs/dbraw/zinc/02/37/13/1074023713.db2.gz DKLQZZAAMGNYSR-QLJPJBMISA-N 1 3 376.421 -1.900 20 0 GAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(N2CCC([NH3+])CC2)nc1 ZINC001218724349 1074024474 /nfs/dbraw/zinc/02/44/74/1074024474.db2.gz OATCGNNRYQHXKE-GWCFXTLKSA-N 1 3 377.449 -1.345 20 0 GAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1)C(N)=O ZINC001218731264 1074024359 /nfs/dbraw/zinc/02/43/59/1074024359.db2.gz KHVUJAHONVKLNX-CYZMBNFOSA-N 1 3 378.433 -1.142 20 0 GAADHO O=C(Nc1ccnc2c(N(CCO)CCO)cnn21)[C@H]1C[NH2+]CC12CNC2 ZINC001218770384 1074024925 /nfs/dbraw/zinc/02/49/25/1074024925.db2.gz FGTPWNYJADIRBH-GFCCVEGCSA-N 1 3 375.433 -1.732 20 0 GAADHO O=C(Nc1ccnc2c(N(CCO)CCO)cnn21)[C@@H]1C[NH2+]CC12CNC2 ZINC001218770385 1074025512 /nfs/dbraw/zinc/02/55/12/1074025512.db2.gz FGTPWNYJADIRBH-LBPRGKRZSA-N 1 3 375.433 -1.732 20 0 GAADHO O=C(Nc1ccnc2c(N(CCO)CCO)cnn21)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218770399 1074025441 /nfs/dbraw/zinc/02/54/41/1074025441.db2.gz FPCOGOCQUUITAL-FZKQIMNGSA-N 1 3 389.460 -1.342 20 0 GAADHO N[C@H](C(=O)Nc1ccnc2c(N(CCO)CCO)cnn21)C1CC[NH2+]CC1 ZINC001218770409 1074025407 /nfs/dbraw/zinc/02/54/07/1074025407.db2.gz FWJVDCZTUYXXQC-HNNXBMFYSA-N 1 3 377.449 -1.214 20 0 GAADHO N[C@@H](C(=O)Nc1ccnc2c(N(CCO)CCO)cnn21)C1CC[NH2+]CC1 ZINC001218770410 1074025619 /nfs/dbraw/zinc/02/56/19/1074025619.db2.gz FWJVDCZTUYXXQC-OAHLLOKOSA-N 1 3 377.449 -1.214 20 0 GAADHO Nc1ncn(C(=O)[C@@H](N)Cc2cnc[nH]2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218775720 1074025860 /nfs/dbraw/zinc/02/58/60/1074025860.db2.gz DEBKRZLAXLDAMH-ADEWGFFLSA-N 1 3 394.867 -1.077 20 0 GAADHO Nc1ncn(C(=O)[C@@H](N)Cc2c[nH]cn2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218775720 1074025849 /nfs/dbraw/zinc/02/58/49/1074025849.db2.gz DEBKRZLAXLDAMH-ADEWGFFLSA-N 1 3 394.867 -1.077 20 0 GAADHO Nc1ncn(C(=O)[C@@H](N)Cc2cnc[nH]2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218775721 1074026182 /nfs/dbraw/zinc/02/61/82/1074026182.db2.gz DEBKRZLAXLDAMH-DLOVCJGASA-N 1 3 394.867 -1.077 20 0 GAADHO Nc1ncn(C(=O)[C@@H](N)Cc2c[nH]cn2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218775721 1074026175 /nfs/dbraw/zinc/02/61/75/1074026175.db2.gz DEBKRZLAXLDAMH-DLOVCJGASA-N 1 3 394.867 -1.077 20 0 GAADHO Nc1ncn(C(=O)[C@H](N)Cc2cnc[nH]2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218775722 1074026049 /nfs/dbraw/zinc/02/60/49/1074026049.db2.gz DEBKRZLAXLDAMH-JLLWLGSASA-N 1 3 394.867 -1.077 20 0 GAADHO Nc1ncn(C(=O)[C@H](N)Cc2c[nH]cn2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218775722 1074026042 /nfs/dbraw/zinc/02/60/42/1074026042.db2.gz DEBKRZLAXLDAMH-JLLWLGSASA-N 1 3 394.867 -1.077 20 0 GAADHO Nc1ncn(C(=O)[C@H](N)Cc2cnc[nH]2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218775723 1074026084 /nfs/dbraw/zinc/02/60/84/1074026084.db2.gz DEBKRZLAXLDAMH-MVWJERBFSA-N 1 3 394.867 -1.077 20 0 GAADHO Nc1ncn(C(=O)[C@H](N)Cc2c[nH]cn2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218775723 1074026078 /nfs/dbraw/zinc/02/60/78/1074026078.db2.gz DEBKRZLAXLDAMH-MVWJERBFSA-N 1 3 394.867 -1.077 20 0 GAADHO Nc1ncn(C(=O)[C@@H](N)Cc2cnc[nH]2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218775724 1074026120 /nfs/dbraw/zinc/02/61/20/1074026120.db2.gz DEBKRZLAXLDAMH-USWWRNFRSA-N 1 3 394.867 -1.077 20 0 GAADHO Nc1ncn(C(=O)[C@@H](N)Cc2c[nH]cn2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218775724 1074026113 /nfs/dbraw/zinc/02/61/13/1074026113.db2.gz DEBKRZLAXLDAMH-USWWRNFRSA-N 1 3 394.867 -1.077 20 0 GAADHO Nc1ncn(C(=O)[C@H](N)Cc2cnc[nH]2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218775725 1074026014 /nfs/dbraw/zinc/02/60/14/1074026014.db2.gz DEBKRZLAXLDAMH-WCQGTBRESA-N 1 3 394.867 -1.077 20 0 GAADHO Nc1ncn(C(=O)[C@H](N)Cc2c[nH]cn2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218775725 1074026007 /nfs/dbraw/zinc/02/60/07/1074026007.db2.gz DEBKRZLAXLDAMH-WCQGTBRESA-N 1 3 394.867 -1.077 20 0 GAADHO Nc1ncn(C(=O)[C@H](N)Cc2cnc[nH]2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218775726 1074025807 /nfs/dbraw/zinc/02/58/07/1074025807.db2.gz DEBKRZLAXLDAMH-YUSALJHKSA-N 1 3 394.867 -1.077 20 0 GAADHO Nc1ncn(C(=O)[C@H](N)Cc2c[nH]cn2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218775726 1074025794 /nfs/dbraw/zinc/02/57/94/1074025794.db2.gz DEBKRZLAXLDAMH-YUSALJHKSA-N 1 3 394.867 -1.077 20 0 GAADHO Nc1ncn(C(=O)[C@@H](N)Cc2cnc[nH]2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218775727 1074025952 /nfs/dbraw/zinc/02/59/52/1074025952.db2.gz DEBKRZLAXLDAMH-ZMLRMANQSA-N 1 3 394.867 -1.077 20 0 GAADHO Nc1ncn(C(=O)[C@@H](N)Cc2c[nH]cn2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218775727 1074025940 /nfs/dbraw/zinc/02/59/40/1074025940.db2.gz DEBKRZLAXLDAMH-ZMLRMANQSA-N 1 3 394.867 -1.077 20 0 GAADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218776221 1074026147 /nfs/dbraw/zinc/02/61/47/1074026147.db2.gz AVLZJKSLROLTHA-MMWGEVLESA-N 1 3 399.883 -1.518 20 0 GAADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218776228 1074026432 /nfs/dbraw/zinc/02/64/32/1074026432.db2.gz AVLZJKSLROLTHA-NAKRPEOUSA-N 1 3 399.883 -1.518 20 0 GAADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218776229 1074026407 /nfs/dbraw/zinc/02/64/07/1074026407.db2.gz AVLZJKSLROLTHA-UKKRHICBSA-N 1 3 399.883 -1.518 20 0 GAADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218776230 1074026508 /nfs/dbraw/zinc/02/65/08/1074026508.db2.gz AVLZJKSLROLTHA-XWLWVQCSSA-N 1 3 399.883 -1.518 20 0 GAADHO CN1CCNC[C@@H]1C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218781617 1074027817 /nfs/dbraw/zinc/02/78/17/1074027817.db2.gz QQILOOYGGSVUGJ-IJLUTSLNSA-N 1 3 383.884 -1.466 20 0 GAADHO CN1CCNC[C@@H]1C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218781618 1074027647 /nfs/dbraw/zinc/02/76/47/1074027647.db2.gz QQILOOYGGSVUGJ-QJPTWQEYSA-N 1 3 383.884 -1.466 20 0 GAADHO CN1CCNC[C@@H]1C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218781619 1074027632 /nfs/dbraw/zinc/02/76/32/1074027632.db2.gz QQILOOYGGSVUGJ-TUAOUCFPSA-N 1 3 383.884 -1.466 20 0 GAADHO CN1CCNC[C@@H]1C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218781620 1074028063 /nfs/dbraw/zinc/02/80/63/1074028063.db2.gz QQILOOYGGSVUGJ-UTUOFQBUSA-N 1 3 383.884 -1.466 20 0 GAADHO N[C@H](CCC[NH3+])C(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O ZINC001218879327 1074029490 /nfs/dbraw/zinc/02/94/90/1074029490.db2.gz RYKKZHPFSRLLOD-SSDOTTSWSA-N 1 3 399.882 -1.361 20 0 GAADHO N[C@@H](CCC[NH3+])C(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O ZINC001218879329 1074029564 /nfs/dbraw/zinc/02/95/64/1074029564.db2.gz RYKKZHPFSRLLOD-ZETCQYMHSA-N 1 3 399.882 -1.361 20 0 GAADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NCCC(=O)N1CCOCC1 ZINC001219573046 1074032434 /nfs/dbraw/zinc/03/24/34/1074032434.db2.gz FIKQKBOQLJLEOR-GJZGRUSLSA-N 1 3 383.493 -1.201 20 0 GAADHO CN1C[C@@H](C(=O)NCCS(=O)(=O)N2CCNCC2)OC2(CC[NH2+]CC2)C1 ZINC001219676607 1074033790 /nfs/dbraw/zinc/03/37/90/1074033790.db2.gz QQALLMPFUZBUFZ-AWEZNQCLSA-N 1 3 389.522 -2.210 20 0 GAADHO CN1C[C@H](C(=O)NCCS(=O)(=O)N2CCNCC2)OC2(CC[NH2+]CC2)C1 ZINC001219676608 1074033980 /nfs/dbraw/zinc/03/39/80/1074033980.db2.gz QQALLMPFUZBUFZ-CQSZACIVSA-N 1 3 389.522 -2.210 20 0 GAADHO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)NCCC1(O)C[NH2+]C1 ZINC001219696864 1074035180 /nfs/dbraw/zinc/03/51/80/1074035180.db2.gz NBGKDJKDKVYSPP-KKUMJFAQSA-N 1 3 397.520 -1.304 20 0 GAADHO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219714526 1074035272 /nfs/dbraw/zinc/03/52/72/1074035272.db2.gz NOZZLRHRKMMMQH-SBJFKYEJSA-N 1 3 383.493 -1.696 20 0 GAADHO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219720785 1074035591 /nfs/dbraw/zinc/03/55/91/1074035591.db2.gz QDSHIVUBGWDQEE-LXFSFDBISA-N 1 3 383.493 -1.302 20 0 GAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)NCC[C@@H]1C[NH2+]Cc2cccn2C1)C(N)=O ZINC001219790024 1074035532 /nfs/dbraw/zinc/03/55/32/1074035532.db2.gz DJXMBSJFCSQOIU-GZBFAFLISA-N 1 3 378.477 -1.189 20 0 GAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)NCC[C@H]1C[NH2+]Cc2cccn2C1)C(N)=O ZINC001219790025 1074035718 /nfs/dbraw/zinc/03/57/18/1074035718.db2.gz DJXMBSJFCSQOIU-KCQAQPDRSA-N 1 3 378.477 -1.189 20 0 GAADHO CN1C[C@@H](C(=O)NCc2cc(=O)n3c(n2)CNCCC3)OC2(CC[NH2+]CC2)C1 ZINC001219805795 1074036189 /nfs/dbraw/zinc/03/61/89/1074036189.db2.gz DBJPZNYQXUOCAB-HNNXBMFYSA-N 1 3 390.488 -1.194 20 0 GAADHO CN1C[C@H](C(=O)NCc2cc(=O)n3c(n2)CNCCC3)OC2(CC[NH2+]CC2)C1 ZINC001219805796 1074036423 /nfs/dbraw/zinc/03/64/23/1074036423.db2.gz DBJPZNYQXUOCAB-OAHLLOKOSA-N 1 3 390.488 -1.194 20 0 GAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)C(N)=O ZINC001219838716 1074037152 /nfs/dbraw/zinc/03/71/52/1074037152.db2.gz UALNFZKIQDMKAC-APNQJHFZSA-N 1 3 385.465 -2.405 20 0 GAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)C(N)=O ZINC001219838717 1074037136 /nfs/dbraw/zinc/03/71/36/1074037136.db2.gz UALNFZKIQDMKAC-JRATXPSKSA-N 1 3 385.465 -2.405 20 0 GAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)C(N)=O ZINC001219838718 1074037098 /nfs/dbraw/zinc/03/70/98/1074037098.db2.gz UALNFZKIQDMKAC-SFDCBXKLSA-N 1 3 385.465 -2.405 20 0 GAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)C(N)=O ZINC001219838719 1074037323 /nfs/dbraw/zinc/03/73/23/1074037323.db2.gz UALNFZKIQDMKAC-ZBYUQBLASA-N 1 3 385.465 -2.405 20 0 GAADHO C[C@H](N)C(=O)N1[C@H](C(=O)NC[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)COC1(C)C ZINC001219839368 1074037608 /nfs/dbraw/zinc/03/76/08/1074037608.db2.gz ZBAPVDPSEPXNIR-AHXJXLJNSA-N 1 3 384.477 -1.192 20 0 GAADHO C[C@H](N)C(=O)N1[C@H](C(=O)NC[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)COC1(C)C ZINC001219839369 1074037715 /nfs/dbraw/zinc/03/77/15/1074037715.db2.gz ZBAPVDPSEPXNIR-MOROJQBDSA-N 1 3 384.477 -1.192 20 0 GAADHO C[C@H](N)C(=O)N1[C@H](C(=O)NC[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)COC1(C)C ZINC001219839370 1074037763 /nfs/dbraw/zinc/03/77/63/1074037763.db2.gz ZBAPVDPSEPXNIR-NUXNZHGMSA-N 1 3 384.477 -1.192 20 0 GAADHO C[C@H](N)C(=O)N1[C@H](C(=O)NC[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)COC1(C)C ZINC001219839371 1074037789 /nfs/dbraw/zinc/03/77/89/1074037789.db2.gz ZBAPVDPSEPXNIR-WZTLGTBRSA-N 1 3 384.477 -1.192 20 0 GAADHO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)NCC[NH2+]CCO ZINC001219918641 1074038620 /nfs/dbraw/zinc/03/86/20/1074038620.db2.gz PETSHMMPVCEYSH-KKUMJFAQSA-N 1 3 385.509 -1.446 20 0 GAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCc1cccnc1C1CC[NH2+]CC1 ZINC001219931714 1074038815 /nfs/dbraw/zinc/03/88/15/1074038815.db2.gz XIKJBHWFPDXAAJ-FZMZJTMJSA-N 1 3 376.461 -1.128 20 0 GAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N(c1ccc(C[NH3+])cc1)S(C)(=O)=O ZINC001219939236 1074038839 /nfs/dbraw/zinc/03/88/39/1074038839.db2.gz XLKQFMRVOARNJY-CABZTGNLSA-N 1 3 385.446 -1.855 20 0 GAADHO COC(=O)C1(NC(=O)[C@@H](N)CCCNC(=O)c2cnccn2)CC[NH2+]CC1 ZINC001219999517 1074039834 /nfs/dbraw/zinc/03/98/34/1074039834.db2.gz WCCQSJPFSGFRFG-LBPRGKRZSA-N 1 3 378.433 -1.275 20 0 GAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N(Cc1ccccc1)C1(C[NH3+])COC1 ZINC001220022239 1074039645 /nfs/dbraw/zinc/03/96/45/1074039645.db2.gz DELVCGAYEJGVQF-JSGCOSHPSA-N 1 3 377.445 -1.550 20 0 GAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NC1(C(=O)OC(C)(C)C)CCC([NH3+])CC1 ZINC001220039459 1074040446 /nfs/dbraw/zinc/04/04/46/1074040446.db2.gz FUXGDKOGGKXUMC-GNWPSQFCSA-N 1 3 399.492 -1.208 20 0 GAADHO C[NH2+]CCNC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF ZINC001220054809 1074042309 /nfs/dbraw/zinc/04/23/09/1074042309.db2.gz TVSNPYMTSYBZMZ-MJVIPROJSA-N 1 3 375.445 -1.777 20 0 GAADHO CS(=O)(=O)N1CC(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001220145479 1074043229 /nfs/dbraw/zinc/04/32/29/1074043229.db2.gz DHBXZJMIIJUDMX-STQMWFEESA-N 1 3 375.495 -1.806 20 0 GAADHO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)NC1(C[NH3+])COC1 ZINC001220156878 1074043412 /nfs/dbraw/zinc/04/34/12/1074043412.db2.gz OMYKCDXNEWVSNB-IHRRRGAJSA-N 1 3 383.493 -1.301 20 0 GAADHO COC(=O)[C@]1(NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)CC[N@@H+](Cc2ccccc2)C1 ZINC001220228563 1074043962 /nfs/dbraw/zinc/04/39/62/1074043962.db2.gz QAWQNHDRNQWPGC-RFUYNDQBSA-N 1 3 392.456 -1.255 20 0 GAADHO COC(=O)[C@]1(NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)CC[N@H+](Cc2ccccc2)C1 ZINC001220228563 1074043957 /nfs/dbraw/zinc/04/39/57/1074043957.db2.gz QAWQNHDRNQWPGC-RFUYNDQBSA-N 1 3 392.456 -1.255 20 0 GAADHO COC(=O)[C@@]1(NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)CC[N@@H+](Cc2ccccc2)C1 ZINC001220228564 1074043868 /nfs/dbraw/zinc/04/38/68/1074043868.db2.gz QAWQNHDRNQWPGC-ZUEVXXBESA-N 1 3 392.456 -1.255 20 0 GAADHO COC(=O)[C@@]1(NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)CC[N@H+](Cc2ccccc2)C1 ZINC001220228564 1074043859 /nfs/dbraw/zinc/04/38/59/1074043859.db2.gz QAWQNHDRNQWPGC-ZUEVXXBESA-N 1 3 392.456 -1.255 20 0 GAADHO CN(C)S(=O)(=O)CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001220268949 1074044401 /nfs/dbraw/zinc/04/44/01/1074044401.db2.gz RXRPBEYTRQFYGA-STQMWFEESA-N 1 3 377.511 -1.559 20 0 GAADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@H]1CC[NH2+]C1)C(=O)CF ZINC001220282085 1074044854 /nfs/dbraw/zinc/04/48/54/1074044854.db2.gz GHCWTIDBOCNSHS-ASHKBJFXSA-N 1 3 387.456 -1.634 20 0 GAADHO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)NCCN(C)CC[NH3+] ZINC001220517552 1074050273 /nfs/dbraw/zinc/05/02/73/1074050273.db2.gz PSEISBCRZTVQDF-JYJNAYRXSA-N 1 3 398.552 -1.138 20 0 GAADHO CCOC(=O)C1=C(NC(=O)[C@H]2Cn3nnnc3C23CC[NH2+]CC3)CCNC1 ZINC001220521885 1074050079 /nfs/dbraw/zinc/05/00/79/1074050079.db2.gz RYQPTUUCCLRHQD-GFCCVEGCSA-N 1 3 375.433 -1.149 20 0 GAADHO CCOC(=O)C1=C(NC(=O)[C@@H]2Cn3nnnc3C23CC[NH2+]CC3)CCNC1 ZINC001220521886 1074050333 /nfs/dbraw/zinc/05/03/33/1074050333.db2.gz RYQPTUUCCLRHQD-LBPRGKRZSA-N 1 3 375.433 -1.149 20 0 GAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)NCc1ccccc1N1CC[NH2+]CC1)C(N)=O ZINC001220654087 1074052394 /nfs/dbraw/zinc/05/23/94/1074052394.db2.gz CJFBXLCRXQBLTL-DZGCQCFKSA-N 1 3 390.488 -1.190 20 0 GAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)NC[C@H]1CC[NH2+][C@@H]1c1cccnc1)C(N)=O ZINC001220791220 1074054161 /nfs/dbraw/zinc/05/41/61/1074054161.db2.gz XHALHMXNATUSPH-ADSMDIBLSA-N 1 3 376.461 -1.054 20 0 GAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)NC[C@H]1CC[NH2+][C@H]1c1cccnc1)C(N)=O ZINC001220791221 1074053985 /nfs/dbraw/zinc/05/39/85/1074053985.db2.gz XHALHMXNATUSPH-DCDXPUDHSA-N 1 3 376.461 -1.054 20 0 GAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1)C(N)=O ZINC001220791223 1074054133 /nfs/dbraw/zinc/05/41/33/1074054133.db2.gz XHALHMXNATUSPH-YYWXWVFPSA-N 1 3 376.461 -1.054 20 0 GAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)NC[C@@H]1CC[NH2+][C@H]1c1cccnc1)C(N)=O ZINC001220791225 1074053964 /nfs/dbraw/zinc/05/39/64/1074053964.db2.gz XHALHMXNATUSPH-ZIEJDFEHSA-N 1 3 376.461 -1.054 20 0 GAADHO CCOC(=O)C1=C(NC(=O)[C@@H](N)CCCNC(=O)c2cnccn2)C[NH2+]C1 ZINC001220825576 1074054118 /nfs/dbraw/zinc/05/41/18/1074054118.db2.gz NAUWBXQZFQTDSU-LBPRGKRZSA-N 1 3 376.417 -1.150 20 0 GAADHO O=C(CNC(=O)[C@@H]1COC2(C[NH2+]C2)CN1)N1CCN(C2CCCCC2)CC1 ZINC001220898859 1074055099 /nfs/dbraw/zinc/05/50/99/1074055099.db2.gz ZJMGSALXEUKQFP-INIZCTEOSA-N 1 3 379.505 -1.090 20 0 GAADHO O=C(CNC(=O)[C@H]1COC2(C[NH2+]C2)CN1)N1CCN(C2CCCCC2)CC1 ZINC001220898860 1074054834 /nfs/dbraw/zinc/05/48/34/1074054834.db2.gz ZJMGSALXEUKQFP-MRXNPFEDSA-N 1 3 379.505 -1.090 20 0 GAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N(c1ccncn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001220941811 1074055268 /nfs/dbraw/zinc/05/52/68/1074055268.db2.gz ZQYBLPQVZWLLON-CYDGBPFRSA-N 1 3 377.449 -1.213 20 0 GAADHO Cc1cn([C@H]2C[C@H](NC(=O)[C@@H]3C[NH2+]CC34CNC4)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220966809 1074056166 /nfs/dbraw/zinc/05/61/66/1074056166.db2.gz HALIAXPGHWVGOT-WUHRBBMRSA-N 1 3 379.417 -2.169 20 0 GAADHO Cc1cn([C@H]2C[C@H](NC(=O)[C@H]3C[NH2+]CC34CNC4)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220966810 1074055979 /nfs/dbraw/zinc/05/59/79/1074055979.db2.gz HALIAXPGHWVGOT-YVECIDJPSA-N 1 3 379.417 -2.169 20 0 GAADHO Cc1cn([C@H]2C[C@H](NC(=O)[C@@H](N)CSCC[NH3+])[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220966849 1074055890 /nfs/dbraw/zinc/05/58/90/1074055890.db2.gz IJOUPUKWKDCEJB-NNYUYHANSA-N 1 3 387.462 -1.959 20 0 GAADHO Cc1cn([C@H]2C[C@H](NC(=O)[C@]34C[NH2+]C[C@H]3CNCC4)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220967226 1074056736 /nfs/dbraw/zinc/05/67/36/1074056736.db2.gz WMAMAMMJTMTQFN-XYLOAFBBSA-N 1 3 393.444 -1.779 20 0 GAADHO Cc1cn([C@H]2C[C@H](NC(=O)[C@@H](N)C3CC[NH2+]CC3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220967227 1074056448 /nfs/dbraw/zinc/05/64/48/1074056448.db2.gz WMSACHDGBRFTIP-DGAVXFQQSA-N 1 3 381.433 -1.651 20 0 GAADHO Cc1cn([C@H]2C[C@H](NC(=O)[C@H](N)C3CC[NH2+]CC3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220967228 1074056720 /nfs/dbraw/zinc/05/67/20/1074056720.db2.gz WMSACHDGBRFTIP-REWJHTLYSA-N 1 3 381.433 -1.651 20 0 GAADHO NC1(C(=O)NCc2ccccc2)CCN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001220969029 1074056674 /nfs/dbraw/zinc/05/66/74/1074056674.db2.gz LSYNUUSNSAZPGV-INIZCTEOSA-N 1 3 387.484 -1.047 20 0 GAADHO NC1(C(=O)NCc2ccccc2)CCN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001220969030 1074056495 /nfs/dbraw/zinc/05/64/95/1074056495.db2.gz LSYNUUSNSAZPGV-MRXNPFEDSA-N 1 3 387.484 -1.047 20 0 GAADHO COC(=O)CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])C(N)=O ZINC001221019374 1074056949 /nfs/dbraw/zinc/05/69/49/1074056949.db2.gz VFENEPLVOHKAAH-AVGNSLFASA-N 1 3 385.465 -1.643 20 0 GAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCC1(c2ccccn2)CC[NH2+]CC1 ZINC001221116235 1074057604 /nfs/dbraw/zinc/05/76/04/1074057604.db2.gz RHTCLIYFSVTEFM-STQMWFEESA-N 1 3 376.461 -1.474 20 0 GAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)NCC1(c2ccccn2)CC[NH2+]CC1)C(N)=O ZINC001221116354 1074057639 /nfs/dbraw/zinc/05/76/39/1074057639.db2.gz XFGNBOYGUNRWML-UONOGXRCSA-N 1 3 390.488 -1.084 20 0 GAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)NC1(c2cccnc2)CC[NH2+]CC1)C(N)=O ZINC001221123993 1074057562 /nfs/dbraw/zinc/05/75/62/1074057562.db2.gz RRDGFWJVTQWMHF-GXTWGEPZSA-N 1 3 376.461 -1.126 20 0 GAADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NCCN1CCCS1(=O)=O ZINC001221338029 1074059800 /nfs/dbraw/zinc/05/98/00/1074059800.db2.gz VTKPBQIUTBGBOF-KBPBESRZSA-N 1 3 389.522 -1.415 20 0 GAADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCCCC[NH3+])C(=O)CF ZINC001221346985 1074059743 /nfs/dbraw/zinc/05/97/43/1074059743.db2.gz CISQSIADLOIWQF-HUBLWGQQSA-N 1 3 389.472 -1.257 20 0 GAADHO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)CSCC[NH3+] ZINC001221348121 1074059914 /nfs/dbraw/zinc/05/99/14/1074059914.db2.gz GJHVLHOWBRHJKX-AVGNSLFASA-N 1 3 397.505 -2.068 20 0 GAADHO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CSCC[NH3+] ZINC001221348121 1074059904 /nfs/dbraw/zinc/05/99/04/1074059904.db2.gz GJHVLHOWBRHJKX-AVGNSLFASA-N 1 3 397.505 -2.068 20 0 GAADHO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001221348506 1074060124 /nfs/dbraw/zinc/06/01/24/1074060124.db2.gz KMVBIPSFANPVQJ-KKUMJFAQSA-N 1 3 391.476 -1.760 20 0 GAADHO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001221348510 1074060146 /nfs/dbraw/zinc/06/01/46/1074060146.db2.gz KMVBIPSFANPVQJ-SOUVJXGZSA-N 1 3 391.476 -1.760 20 0 GAADHO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001221348861 1074060559 /nfs/dbraw/zinc/06/05/59/1074060559.db2.gz OTKKCTDDLWQRDI-IHRRRGAJSA-N 1 3 379.465 -1.630 20 0 GAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCC(C2=CC=C(N)C[NH2+]2)CC1)C(N)=O ZINC001221392850 1074061567 /nfs/dbraw/zinc/06/15/67/1074061567.db2.gz ODIJFUHHHAGBHV-XHDPSFHLSA-N 1 3 378.477 -1.348 20 0 GAADHO NCCS(=O)(=O)NCCOCCOCCOCCOCCOCC[NH3+] ZINC001238596549 1074092125 /nfs/dbraw/zinc/09/21/25/1074092125.db2.gz WNZMKEHFRKDFHD-UHFFFAOYSA-N 1 3 387.499 -2.094 20 0 GAADHO NCCS(=O)(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001239127582 1074093474 /nfs/dbraw/zinc/09/34/74/1074093474.db2.gz UVYUDPYZWAQGOT-STQMWFEESA-N 1 3 395.476 -1.509 20 0 GAADHO [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001239130802 1074093564 /nfs/dbraw/zinc/09/35/64/1074093564.db2.gz GCRGWVSOUVDJPM-UHFFFAOYSA-N 1 3 396.477 -1.329 20 0 GAADHO [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001239130802 1074093559 /nfs/dbraw/zinc/09/35/59/1074093559.db2.gz GCRGWVSOUVDJPM-UHFFFAOYSA-N 1 3 396.477 -1.329 20 0 GAADHO NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1cncn1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246479561 1074096611 /nfs/dbraw/zinc/09/66/11/1074096611.db2.gz CFNQAISPKNKUPE-QEJZJMRPSA-N 1 3 375.477 -1.504 20 0 GAADHO NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1cncn1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246479618 1074096566 /nfs/dbraw/zinc/09/65/66/1074096566.db2.gz CFNQAISPKNKUPE-SNPRPXQTSA-N 1 3 375.477 -1.504 20 0 GAADHO NC(=O)CNC(=O)CNC(=O)CNCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254055622 1074130608 /nfs/dbraw/zinc/13/06/08/1074130608.db2.gz WMTIVEWVQDVQTH-UHFFFAOYSA-N 1 3 391.472 -1.679 20 0 GAADHO Cn1cnc2c1c(=O)n(Cc1cn(CCCC[NH2+]CCCN)nn1)c(=O)n2C ZINC001254163268 1074139072 /nfs/dbraw/zinc/13/90/72/1074139072.db2.gz PVFBWXDTZBFCMU-UHFFFAOYSA-N 1 3 389.464 -1.208 20 0 GAADHO [NH3+]CCOCCOCCOCCOCCOCCN[C@H]1CCS(=O)(=O)C1 ZINC001254320775 1074140176 /nfs/dbraw/zinc/14/01/76/1074140176.db2.gz QROGRKXTROAANJ-INIZCTEOSA-N 1 3 398.522 -1.195 20 0 GAADHO [NH3+]CCOCCOCCOCCOCCOCCN[C@@H]1CCS(=O)(=O)C1 ZINC001254320776 1074140278 /nfs/dbraw/zinc/14/02/78/1074140278.db2.gz QROGRKXTROAANJ-MRXNPFEDSA-N 1 3 398.522 -1.195 20 0 GAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC001257128846 1074164413 /nfs/dbraw/zinc/16/44/13/1074164413.db2.gz ZEJLAVLADMJDIW-UHFFFAOYSA-N 1 3 391.538 -1.522 20 0 GAADHO CC[C@H](C)n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001257436631 1074169034 /nfs/dbraw/zinc/16/90/34/1074169034.db2.gz SMJGGLKHBLVTHB-QEJZJMRPSA-N 1 3 395.508 -1.061 20 0 GAADHO CC[C@@H](C)n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001257436632 1074168943 /nfs/dbraw/zinc/16/89/43/1074168943.db2.gz SMJGGLKHBLVTHB-SNPRPXQTSA-N 1 3 395.508 -1.061 20 0 GAADHO CN(C(=O)C(=O)NC[C@H]1CN(C)CCN1C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001258381555 1074183785 /nfs/dbraw/zinc/18/37/85/1074183785.db2.gz BKDDZUAYKLQNNY-MSOLQXFVSA-N 1 3 394.564 -1.025 20 0 GAADHO CN(C(=O)C(=O)NC[C@@H]1CN(C)CCN1C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001258381561 1074183801 /nfs/dbraw/zinc/18/38/01/1074183801.db2.gz BKDDZUAYKLQNNY-QZTJIDSGSA-N 1 3 394.564 -1.025 20 0 GAADHO CN(C(=O)C(=O)NC[C@H]1CN(C)CCN1C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001258381562 1074183716 /nfs/dbraw/zinc/18/37/16/1074183716.db2.gz BKDDZUAYKLQNNY-ROUUACIJSA-N 1 3 394.564 -1.025 20 0 GAADHO CN(C(=O)C(=O)NC[C@@H]1CN(C)CCN1C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001258381563 1074183765 /nfs/dbraw/zinc/18/37/65/1074183765.db2.gz BKDDZUAYKLQNNY-ZWKOTPCHSA-N 1 3 394.564 -1.025 20 0 GAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC001261320929 1074216890 /nfs/dbraw/zinc/21/68/90/1074216890.db2.gz PCUQRSAEBNAUOB-UHFFFAOYSA-N 1 3 384.525 -1.829 20 0 GAADHO O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001261562990 1074232179 /nfs/dbraw/zinc/23/21/79/1074232179.db2.gz ZTIHQMLGMPSSHH-IXDOHACOSA-N 1 3 395.504 -2.214 20 0 GAADHO O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001261562990 1074232177 /nfs/dbraw/zinc/23/21/77/1074232177.db2.gz ZTIHQMLGMPSSHH-IXDOHACOSA-N 1 3 395.504 -2.214 20 0 GAADHO O=C(N[C@H]1CCN(CCN2CCOCC2)C1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001261562991 1074232327 /nfs/dbraw/zinc/23/23/27/1074232327.db2.gz ZTIHQMLGMPSSHH-YESZJQIVSA-N 1 3 395.504 -2.214 20 0 GAADHO O=C(N[C@H]1CCN(CCN2CCOCC2)C1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001261562991 1074232326 /nfs/dbraw/zinc/23/23/26/1074232326.db2.gz ZTIHQMLGMPSSHH-YESZJQIVSA-N 1 3 395.504 -2.214 20 0 GAADHO O=C(N[C@H]1CCN(CCN2CCOCC2)C1)C(=O)N1CCNCC[NH2+]CC1 ZINC001262542833 1074264831 /nfs/dbraw/zinc/26/48/31/1074264831.db2.gz JYOYBOFIRYSTNI-INIZCTEOSA-N 1 3 382.509 -2.470 20 0 GAADHO O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)C(=O)N1CCNCC[NH2+]CC1 ZINC001262542834 1074264740 /nfs/dbraw/zinc/26/47/40/1074264740.db2.gz JYOYBOFIRYSTNI-MRXNPFEDSA-N 1 3 382.509 -2.470 20 0 GAADHO CN(CCNC(=O)CN1CCC(CO)CC1)C(=O)C[NH+]1CCC(CO)CC1 ZINC001262619946 1074264761 /nfs/dbraw/zinc/26/47/61/1074264761.db2.gz OGVPZTSPHQBRHC-UHFFFAOYSA-N 1 3 384.521 -1.030 20 0 GAADHO C[C@H](NC(=O)Cn1cnnn1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001292417315 1074337290 /nfs/dbraw/zinc/33/72/90/1074337290.db2.gz USQFZOBKJWAJGW-ZDUSSCGKSA-N 1 3 378.481 -1.147 20 0 GAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC001320896331 1074465297 /nfs/dbraw/zinc/46/52/97/1074465297.db2.gz WWDUPTRQSQMMJI-UHFFFAOYSA-N 1 3 382.469 -1.743 20 0 GAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC1CC(NS(C)(=O)=O)C1 ZINC001322528008 1074531442 /nfs/dbraw/zinc/53/14/42/1074531442.db2.gz ILLGNYUDWORMSP-UHFFFAOYSA-N 1 3 377.511 -1.865 20 0 GAADHO CN(C)C(=O)CN1CCC(NC(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC001323138558 1074571051 /nfs/dbraw/zinc/57/10/51/1074571051.db2.gz PVECRQFTDTTXTC-UHFFFAOYSA-N 1 3 397.520 -1.116 20 0 GAADHO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)C1 ZINC001323248719 1074576764 /nfs/dbraw/zinc/57/67/64/1074576764.db2.gz XCMRGRQACZZXEQ-DLBZAZTESA-N 1 3 397.520 -1.654 20 0 GAADHO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)C1 ZINC001323248719 1074576760 /nfs/dbraw/zinc/57/67/60/1074576760.db2.gz XCMRGRQACZZXEQ-DLBZAZTESA-N 1 3 397.520 -1.654 20 0 GAADHO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)C1 ZINC001323248727 1074576941 /nfs/dbraw/zinc/57/69/41/1074576941.db2.gz XCMRGRQACZZXEQ-IAGOWNOFSA-N 1 3 397.520 -1.654 20 0 GAADHO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)C1 ZINC001323248727 1074576935 /nfs/dbraw/zinc/57/69/35/1074576935.db2.gz XCMRGRQACZZXEQ-IAGOWNOFSA-N 1 3 397.520 -1.654 20 0 GAADHO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)C1 ZINC001323248731 1074576629 /nfs/dbraw/zinc/57/66/29/1074576629.db2.gz XCMRGRQACZZXEQ-IRXDYDNUSA-N 1 3 397.520 -1.654 20 0 GAADHO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)C1 ZINC001323248731 1074576622 /nfs/dbraw/zinc/57/66/22/1074576622.db2.gz XCMRGRQACZZXEQ-IRXDYDNUSA-N 1 3 397.520 -1.654 20 0 GAADHO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)C1 ZINC001323248735 1074576839 /nfs/dbraw/zinc/57/68/39/1074576839.db2.gz XCMRGRQACZZXEQ-SJORKVTESA-N 1 3 397.520 -1.654 20 0 GAADHO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)C1 ZINC001323248735 1074576833 /nfs/dbraw/zinc/57/68/33/1074576833.db2.gz XCMRGRQACZZXEQ-SJORKVTESA-N 1 3 397.520 -1.654 20 0 GAADHO COC(=O)[C@@H](O)C1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC001324880814 1074670429 /nfs/dbraw/zinc/67/04/29/1074670429.db2.gz KWOCXTIMBIGEMD-HNNXBMFYSA-N 1 3 386.493 -1.289 20 0 GAADHO COC(=O)[C@H](O)C1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC001324880815 1074670389 /nfs/dbraw/zinc/67/03/89/1074670389.db2.gz KWOCXTIMBIGEMD-OAHLLOKOSA-N 1 3 386.493 -1.289 20 0 GAADHO C[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCN1S(C)(=O)=O ZINC001325697874 1074702990 /nfs/dbraw/zinc/70/29/90/1074702990.db2.gz NMCHITAPGVGCEI-AWEZNQCLSA-N 1 3 391.538 -1.570 20 0 GAADHO CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC001325698848 1074702961 /nfs/dbraw/zinc/70/29/61/1074702961.db2.gz UCVSLZLJPYKMTK-CYBMUJFWSA-N 1 3 377.511 -1.912 20 0 GAADHO CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC001325698849 1074703266 /nfs/dbraw/zinc/70/32/66/1074703266.db2.gz UCVSLZLJPYKMTK-ZDUSSCGKSA-N 1 3 377.511 -1.912 20 0 GAADHO CN1CCN(C)[C@H](CNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC001326598058 1074743597 /nfs/dbraw/zinc/74/35/97/1074743597.db2.gz WIFOGZSSCTYLCO-DOTOQJQBSA-N 1 3 380.537 -1.367 20 0 GAADHO CN1CCN(C)[C@H](CNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC001326598073 1074743654 /nfs/dbraw/zinc/74/36/54/1074743654.db2.gz WIFOGZSSCTYLCO-NVXWUHKLSA-N 1 3 380.537 -1.367 20 0 GAADHO CN1CCN(C)[C@@H](CNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC001326598074 1074743386 /nfs/dbraw/zinc/74/33/86/1074743386.db2.gz WIFOGZSSCTYLCO-RDJZCZTQSA-N 1 3 380.537 -1.367 20 0 GAADHO CN1CCN(C)[C@@H](CNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC001326598075 1074743495 /nfs/dbraw/zinc/74/34/95/1074743495.db2.gz WIFOGZSSCTYLCO-WBVHZDCISA-N 1 3 380.537 -1.367 20 0 GAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001327346626 1074779513 /nfs/dbraw/zinc/77/95/13/1074779513.db2.gz NBMWZQVZCCHPKI-AWEZNQCLSA-N 1 3 391.538 -1.664 20 0 GAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC001327346627 1074779631 /nfs/dbraw/zinc/77/96/31/1074779631.db2.gz NBMWZQVZCCHPKI-CQSZACIVSA-N 1 3 391.538 -1.664 20 0 GAADHO C[NH+](C)CCOC1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC001327533316 1074790770 /nfs/dbraw/zinc/79/07/70/1074790770.db2.gz QGSHZBJMEXPFRN-UHFFFAOYSA-N 1 3 380.449 -1.174 20 0 GAADHO Cn1cc([C@@H]2CN(C(=O)C(=O)NCCN3CCN(C)C(C)(C)C3)C[C@H]2[NH3+])cn1 ZINC001327961942 1074811957 /nfs/dbraw/zinc/81/19/57/1074811957.db2.gz QOYWPRBOLDYCMD-JKSUJKDBSA-N 1 3 391.520 -1.185 20 0 GAADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001328524806 1074835997 /nfs/dbraw/zinc/83/59/97/1074835997.db2.gz LMCXEOYPLDQJLL-DZKIICNBSA-N 1 3 380.493 -1.167 20 0 GAADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001328524807 1074836088 /nfs/dbraw/zinc/83/60/88/1074836088.db2.gz LMCXEOYPLDQJLL-FMKPAKJESA-N 1 3 380.493 -1.167 20 0 GAADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001328524808 1074835975 /nfs/dbraw/zinc/83/59/75/1074835975.db2.gz LMCXEOYPLDQJLL-LZWOXQAQSA-N 1 3 380.493 -1.167 20 0 GAADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001328524809 1074836404 /nfs/dbraw/zinc/83/64/04/1074836404.db2.gz LMCXEOYPLDQJLL-YCPHGPKFSA-N 1 3 380.493 -1.167 20 0 GAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(=O)n(CC(N)=O)c1 ZINC001328694665 1074843250 /nfs/dbraw/zinc/84/32/50/1074843250.db2.gz TZRPZPGJUIHFDU-UHFFFAOYSA-N 1 3 380.449 -1.776 20 0 GAADHO Cn1cc([C@@H]2CN(C(=O)C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)C[C@H]2[NH3+])cn1 ZINC001329125557 1074865125 /nfs/dbraw/zinc/86/51/25/1074865125.db2.gz JICHBYHIOWBCID-FXUDXRNXSA-N 1 3 376.461 -1.347 20 0 GAADHO Cn1cc([C@@H]2CN(C(=O)C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)C[C@H]2[NH3+])cn1 ZINC001329125558 1074865204 /nfs/dbraw/zinc/86/52/04/1074865204.db2.gz JICHBYHIOWBCID-LVQVYYBASA-N 1 3 376.461 -1.347 20 0 GAADHO Cn1cc([C@@H]2CN(C(=O)C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)C[C@H]2[NH3+])cn1 ZINC001329125559 1074865240 /nfs/dbraw/zinc/86/52/40/1074865240.db2.gz JICHBYHIOWBCID-XUWVNRHRSA-N 1 3 376.461 -1.347 20 0 GAADHO Cn1cc([C@@H]2CN(C(=O)C(=O)NC[C@H]3CN4CCC[C@H]4CO3)C[C@H]2[NH3+])cn1 ZINC001329125560 1074865190 /nfs/dbraw/zinc/86/51/90/1074865190.db2.gz JICHBYHIOWBCID-YHUYYLMFSA-N 1 3 376.461 -1.347 20 0 GAADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCN1S(C)(=O)=O ZINC001329649763 1074888431 /nfs/dbraw/zinc/88/84/31/1074888431.db2.gz NMCHITAPGVGCEI-CQSZACIVSA-N 1 3 391.538 -1.570 20 0 GAADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)CC2)C1 ZINC001329863535 1074899588 /nfs/dbraw/zinc/89/95/88/1074899588.db2.gz WZGLHJGRWHKGDO-AWEZNQCLSA-N 1 3 391.476 -1.505 20 0 GAADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)CC2)C1 ZINC001329863535 1074899586 /nfs/dbraw/zinc/89/95/86/1074899586.db2.gz WZGLHJGRWHKGDO-AWEZNQCLSA-N 1 3 391.476 -1.505 20 0 GAADHO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)CC2)C1 ZINC001329863536 1074899603 /nfs/dbraw/zinc/89/96/03/1074899603.db2.gz WZGLHJGRWHKGDO-CQSZACIVSA-N 1 3 391.476 -1.505 20 0 GAADHO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)CC2)C1 ZINC001329863536 1074899599 /nfs/dbraw/zinc/89/95/99/1074899599.db2.gz WZGLHJGRWHKGDO-CQSZACIVSA-N 1 3 391.476 -1.505 20 0 GAADHO CN(CCN1CC2(C1)CCOCC2)C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001330611935 1074920811 /nfs/dbraw/zinc/92/08/11/1074920811.db2.gz QXTRRFUUZUYKOS-INIZCTEOSA-N 1 3 381.521 -1.081 20 0 GAADHO CN(CCN1CC2(C1)CCOCC2)C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001330611935 1074920806 /nfs/dbraw/zinc/92/08/06/1074920806.db2.gz QXTRRFUUZUYKOS-INIZCTEOSA-N 1 3 381.521 -1.081 20 0 GAADHO CN(CCN1CC2(C1)CCOCC2)C(=O)C(=O)NC[C@H]1CN(C)CCN1C ZINC001330611935 1074920801 /nfs/dbraw/zinc/92/08/01/1074920801.db2.gz QXTRRFUUZUYKOS-INIZCTEOSA-N 1 3 381.521 -1.081 20 0 GAADHO CN(CCN1CC2(C1)CCOCC2)C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001330611936 1074920727 /nfs/dbraw/zinc/92/07/27/1074920727.db2.gz QXTRRFUUZUYKOS-MRXNPFEDSA-N 1 3 381.521 -1.081 20 0 GAADHO CN(CCN1CC2(C1)CCOCC2)C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001330611936 1074920722 /nfs/dbraw/zinc/92/07/22/1074920722.db2.gz QXTRRFUUZUYKOS-MRXNPFEDSA-N 1 3 381.521 -1.081 20 0 GAADHO CN(CCN1CC2(C1)CCOCC2)C(=O)C(=O)NC[C@@H]1CN(C)CCN1C ZINC001330611936 1074920717 /nfs/dbraw/zinc/92/07/17/1074920717.db2.gz QXTRRFUUZUYKOS-MRXNPFEDSA-N 1 3 381.521 -1.081 20 0 GAADHO CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC001331582746 1074996510 /nfs/dbraw/zinc/99/65/10/1074996510.db2.gz HSBYEVPMDHRDRC-DLBZAZTESA-N 1 3 381.521 -1.035 20 0 GAADHO CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC001331582748 1074996603 /nfs/dbraw/zinc/99/66/03/1074996603.db2.gz HSBYEVPMDHRDRC-IAGOWNOFSA-N 1 3 381.521 -1.035 20 0 GAADHO CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC001331582751 1074996551 /nfs/dbraw/zinc/99/65/51/1074996551.db2.gz HSBYEVPMDHRDRC-IRXDYDNUSA-N 1 3 381.521 -1.035 20 0 GAADHO CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC001331582753 1074996517 /nfs/dbraw/zinc/99/65/17/1074996517.db2.gz HSBYEVPMDHRDRC-SJORKVTESA-N 1 3 381.521 -1.035 20 0 GAADHO CN1CCC[C@H]1CNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC001331782428 1075004264 /nfs/dbraw/zinc/00/42/64/1075004264.db2.gz RCEXWLYIKANBRH-AWEZNQCLSA-N 1 3 379.465 -1.290 20 0 GAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC1(S(=O)(=O)N(C)C)CC1 ZINC001331886657 1075006922 /nfs/dbraw/zinc/00/69/22/1075006922.db2.gz JAQXPYYSPDUKMT-UHFFFAOYSA-N 1 3 391.538 -1.522 20 0 GAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@]12COCCN1C(=O)COC2 ZINC001331957758 1075007181 /nfs/dbraw/zinc/00/71/81/1075007181.db2.gz BGTQEZKWSBHLFC-GOSISDBHSA-N 1 3 399.492 -2.318 20 0 GAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@]12COCCN1C(=O)COC2 ZINC001331957759 1075007131 /nfs/dbraw/zinc/00/71/31/1075007131.db2.gz BGTQEZKWSBHLFC-SFHVURJKSA-N 1 3 399.492 -2.318 20 0 GAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC001332003941 1075008217 /nfs/dbraw/zinc/00/82/17/1075008217.db2.gz QVJXCIZSBPLJPD-AWEZNQCLSA-N 1 3 391.538 -1.522 20 0 GAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC001332003942 1075008350 /nfs/dbraw/zinc/00/83/50/1075008350.db2.gz QVJXCIZSBPLJPD-CQSZACIVSA-N 1 3 391.538 -1.522 20 0 GAADHO CN1CCN(C2CCN(C(=O)C(=O)NCCCN3CC[NH2+]CC3)CC2)CC1 ZINC001332302395 1075013338 /nfs/dbraw/zinc/01/33/38/1075013338.db2.gz OFUOKKWYARXLNG-UHFFFAOYSA-N 1 3 380.537 -1.364 20 0 GAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(c2nnnn2C)CC1 ZINC001332341333 1075013831 /nfs/dbraw/zinc/01/38/31/1075013831.db2.gz ABCFGNMBYMGQFC-UHFFFAOYSA-N 1 3 380.497 -1.132 20 0 GAADHO CN1CCN(CCNC(=O)C2(C(=O)NCCN3CC[NH+](C)CC3)CCC2)CC1 ZINC001333094025 1075028135 /nfs/dbraw/zinc/02/81/35/1075028135.db2.gz SAQQJTGKSAZNHR-UHFFFAOYSA-N 1 3 394.564 -1.116 20 0 GAADHO COCCN(C)CCN1C[C@@H]([NH2+]CC2(O)CCS(=O)(=O)CC2)CC1=O ZINC001335450830 1075058208 /nfs/dbraw/zinc/05/82/08/1075058208.db2.gz IWALIPLIPDUTKT-AWEZNQCLSA-N 1 3 377.507 -1.305 20 0 GAADHO COCCN(C)CCN1C[C@H]([NH2+]CC2(O)CCS(=O)(=O)CC2)CC1=O ZINC001335450831 1075058265 /nfs/dbraw/zinc/05/82/65/1075058265.db2.gz IWALIPLIPDUTKT-CQSZACIVSA-N 1 3 377.507 -1.305 20 0 GAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(C(=O)NCCO)CC1 ZINC001335563677 1075059298 /nfs/dbraw/zinc/05/92/98/1075059298.db2.gz PFZAMXHGDVXQKC-UHFFFAOYSA-N 1 3 385.509 -1.715 20 0 GAADHO CN1CCN(C(=O)CCNC(=O)C(=O)NCCCCC[NH+]2CCNCC2)CC1 ZINC001336626617 1075067546 /nfs/dbraw/zinc/06/75/46/1075067546.db2.gz BJBSOEGYPKEYHD-UHFFFAOYSA-N 1 3 396.536 -1.542 20 0 GAADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC001336948478 1075068253 /nfs/dbraw/zinc/06/82/53/1075068253.db2.gz SCAMJMCBURSIBK-GASCZTMLSA-N 1 3 377.489 -1.003 20 0 GAADHO O=C(CN1CC[NH2+]CCN(CC(=O)N2CCNCC2)CC1)N1CCNCC1 ZINC001339912703 1075080566 /nfs/dbraw/zinc/08/05/66/1075080566.db2.gz FWQFMZQUIJDDNK-UHFFFAOYSA-N 1 3 381.525 -2.943 20 0 GAADHO O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@H]12)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001340076288 1075081293 /nfs/dbraw/zinc/08/12/93/1075081293.db2.gz BECCGLMGQXDPFF-BZUAXINKSA-N 1 3 398.529 -1.224 20 0 GAADHO O=C(C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@@H]21)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001340076289 1075081270 /nfs/dbraw/zinc/08/12/70/1075081270.db2.gz BECCGLMGQXDPFF-OAGGEKHMSA-N 1 3 398.529 -1.224 20 0 GAADHO O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@@H]12)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001340076290 1075081306 /nfs/dbraw/zinc/08/13/06/1075081306.db2.gz BECCGLMGQXDPFF-OWCLPIDISA-N 1 3 398.529 -1.224 20 0 GAADHO O=C(C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@H]21)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001340076291 1075081365 /nfs/dbraw/zinc/08/13/65/1075081365.db2.gz BECCGLMGQXDPFF-PMPSAXMXSA-N 1 3 398.529 -1.224 20 0 GAADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CS(=O)(=O)C3)CC1 ZINC001340077421 1075081284 /nfs/dbraw/zinc/08/12/84/1075081284.db2.gz PYYKJNPSHTXBPD-YOEHRIQHSA-N 1 3 384.502 -1.613 20 0 GAADHO O=C(CSCC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001346491320 1075150347 /nfs/dbraw/zinc/15/03/47/1075150347.db2.gz JCYPVATZAKJCCT-CAOSSQGBSA-N 1 3 398.529 -1.726 20 0 GAADHO O=C(CSCC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001346491320 1075150345 /nfs/dbraw/zinc/15/03/45/1075150345.db2.gz JCYPVATZAKJCCT-CAOSSQGBSA-N 1 3 398.529 -1.726 20 0 GAADHO C[C@@H]1CN2CCN1C[C@@H]2C(=O)NCCCNC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001346971481 1075157575 /nfs/dbraw/zinc/15/75/75/1075157575.db2.gz AFCSMUFXGQETOV-QBPKDAKJSA-N 1 3 378.521 -1.615 20 0 GAADHO C[C@@H]1CN2CCN1C[C@@H]2C(=O)NCCCNC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001346971481 1075157571 /nfs/dbraw/zinc/15/75/71/1075157571.db2.gz AFCSMUFXGQETOV-QBPKDAKJSA-N 1 3 378.521 -1.615 20 0 GAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC001347066313 1075159904 /nfs/dbraw/zinc/15/99/04/1075159904.db2.gz IKDLAXBEDPYRHW-UHFFFAOYSA-N 1 3 377.511 -2.054 20 0 GAADHO C[C@@H]1CN2CCN1C[C@@H]2C(=O)N(C)CCN(C)C(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001347091569 1075160689 /nfs/dbraw/zinc/16/06/89/1075160689.db2.gz UHYDDDQWOSQSGA-BRSBDYLESA-N 1 3 392.548 -1.320 20 0 GAADHO C[C@@H]1CN2CCN1C[C@@H]2C(=O)N(C)CCN(C)C(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001347091569 1075160688 /nfs/dbraw/zinc/16/06/88/1075160688.db2.gz UHYDDDQWOSQSGA-BRSBDYLESA-N 1 3 392.548 -1.320 20 0 GAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001347195455 1075163507 /nfs/dbraw/zinc/16/35/07/1075163507.db2.gz QAIDHNSVPIEHCD-CABCVRRESA-N 1 3 385.509 -1.310 20 0 GAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001347195457 1075163436 /nfs/dbraw/zinc/16/34/36/1075163436.db2.gz QAIDHNSVPIEHCD-GJZGRUSLSA-N 1 3 385.509 -1.310 20 0 GAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1 ZINC001347195458 1075163487 /nfs/dbraw/zinc/16/34/87/1075163487.db2.gz QAIDHNSVPIEHCD-HUUCEWRRSA-N 1 3 385.509 -1.310 20 0 GAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC001347195460 1075163499 /nfs/dbraw/zinc/16/34/99/1075163499.db2.gz QAIDHNSVPIEHCD-LSDHHAIUSA-N 1 3 385.509 -1.310 20 0 GAADHO C/C(=C\C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001347808676 1075173795 /nfs/dbraw/zinc/17/37/95/1075173795.db2.gz IZBSGFCPOIXMIH-BCIKUICKSA-N 1 3 378.473 -1.513 20 0 GAADHO C/C(=C\C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001347808676 1075173791 /nfs/dbraw/zinc/17/37/91/1075173791.db2.gz IZBSGFCPOIXMIH-BCIKUICKSA-N 1 3 378.473 -1.513 20 0 GAADHO C/C(=C/C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001347808680 1075173839 /nfs/dbraw/zinc/17/38/39/1075173839.db2.gz IZBSGFCPOIXMIH-ZAWNNAMKSA-N 1 3 378.473 -1.513 20 0 GAADHO C/C(=C/C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001347808680 1075173837 /nfs/dbraw/zinc/17/38/37/1075173837.db2.gz IZBSGFCPOIXMIH-ZAWNNAMKSA-N 1 3 378.473 -1.513 20 0 GAADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)C[C@@H]21 ZINC001348714556 1075185988 /nfs/dbraw/zinc/18/59/88/1075185988.db2.gz MVDACQQFOFETRN-SEBNEYGDSA-N 1 3 377.445 -1.458 20 0 GAADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)C[C@@H]21 ZINC001348714558 1075185942 /nfs/dbraw/zinc/18/59/42/1075185942.db2.gz MVDACQQFOFETRN-ZSAUSMIDSA-N 1 3 377.445 -1.458 20 0 GAADHO O=C(COCC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001349826422 1075199092 /nfs/dbraw/zinc/19/90/92/1075199092.db2.gz QFUMSBXMICQQGC-CAOSSQGBSA-N 1 3 382.461 -2.442 20 0 GAADHO O=C(COCC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001349826422 1075199089 /nfs/dbraw/zinc/19/90/89/1075199089.db2.gz QFUMSBXMICQQGC-CAOSSQGBSA-N 1 3 382.461 -2.442 20 0 GAADHO CN1CCN(C2CN(C(=O)C(F)C(=O)N3CC(N4CC[NH+](C)CC4)C3)C2)CC1 ZINC001350727950 1075206983 /nfs/dbraw/zinc/20/69/83/1075206983.db2.gz GPNJYMFWJVRXGN-UHFFFAOYSA-N 1 3 396.511 -1.759 20 0 GAADHO C[C@H]1CN(C(=O)C(=O)N2CCNCCNCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001350965704 1075210234 /nfs/dbraw/zinc/21/02/34/1075210234.db2.gz MOGDMBDMTUSUQD-DLBZAZTESA-N 1 3 380.537 -1.508 20 0 GAADHO C[C@@H]1CN(C(=O)C(=O)N2CCNCCNCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001350965708 1075210283 /nfs/dbraw/zinc/21/02/83/1075210283.db2.gz MOGDMBDMTUSUQD-IAGOWNOFSA-N 1 3 380.537 -1.508 20 0 GAADHO C[C@H]1CN(C(=O)C(=O)N2CCNCCNCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001350965713 1075210194 /nfs/dbraw/zinc/21/01/94/1075210194.db2.gz MOGDMBDMTUSUQD-IRXDYDNUSA-N 1 3 380.537 -1.508 20 0 GAADHO C[C@@H]1CN(C(=O)C(=O)N2CCNCCNCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001350965717 1075210298 /nfs/dbraw/zinc/21/02/98/1075210298.db2.gz MOGDMBDMTUSUQD-SJORKVTESA-N 1 3 380.537 -1.508 20 0 GAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@]12COC(=O)N1CCOC2 ZINC001351834252 1075217696 /nfs/dbraw/zinc/21/76/96/1075217696.db2.gz DJBQYEYDFXFAHN-KRWDZBQOSA-N 1 3 385.465 -1.724 20 0 GAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@]12COC(=O)N1CCOC2 ZINC001351834265 1075217719 /nfs/dbraw/zinc/21/77/19/1075217719.db2.gz DJBQYEYDFXFAHN-QGZVFWFLSA-N 1 3 385.465 -1.724 20 0 GAADHO CO[C@]1(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCS(=O)(=O)C1 ZINC001352871004 1075224677 /nfs/dbraw/zinc/22/46/77/1075224677.db2.gz SSEDORCZJTXKGX-INIZCTEOSA-N 1 3 392.522 -1.742 20 0 GAADHO CO[C@@]1(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCS(=O)(=O)C1 ZINC001352871008 1075224741 /nfs/dbraw/zinc/22/47/41/1075224741.db2.gz SSEDORCZJTXKGX-MRXNPFEDSA-N 1 3 392.522 -1.742 20 0 GAADHO CN1CCC([NH+]2CCC(NC(=O)C(=O)N3CCNCCNCC3)CC2)CC1 ZINC001353135469 1075227095 /nfs/dbraw/zinc/22/70/95/1075227095.db2.gz XHAUGHMITSWBGC-UHFFFAOYSA-N 1 3 380.537 -1.317 20 0 GAADHO CN1CC[NH+](CC2CCN(C(=O)C(=O)N3CCNCCNCC3)CC2)CC1 ZINC001354243441 1075233139 /nfs/dbraw/zinc/23/31/39/1075233139.db2.gz SDHRPOWPOPTCQH-UHFFFAOYSA-N 1 3 380.537 -1.506 20 0 GAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC2(CC1)C[C@H](O)CNC2=O ZINC001356233993 1075238881 /nfs/dbraw/zinc/23/88/81/1075238881.db2.gz DBVNGNWSUNQZRA-HNNXBMFYSA-N 1 3 397.520 -1.572 20 0 GAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC2(CC1)C[C@@H](O)CNC2=O ZINC001356233999 1075238911 /nfs/dbraw/zinc/23/89/11/1075238911.db2.gz DBVNGNWSUNQZRA-OAHLLOKOSA-N 1 3 397.520 -1.572 20 0 GAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@H](CS(C)(=O)=O)C1 ZINC001356237368 1075238822 /nfs/dbraw/zinc/23/88/22/1075238822.db2.gz ZSIPTLHOOAAIBF-AWEZNQCLSA-N 1 3 392.522 -1.790 20 0 GAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@@H](CS(C)(=O)=O)C1 ZINC001356237369 1075238860 /nfs/dbraw/zinc/23/88/60/1075238860.db2.gz ZSIPTLHOOAAIBF-CQSZACIVSA-N 1 3 392.522 -1.790 20 0 GAADHO O=C(CCN1CCOCC1)NCC1CC([NH2+]CC(=O)NCc2c[nH]nn2)C1 ZINC001577872908 1075350123 /nfs/dbraw/zinc/35/01/23/1075350123.db2.gz PQVZZNRUZYEFRV-UHFFFAOYSA-N 1 3 379.465 -1.372 20 0 GAADHO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001598393604 1076262159 /nfs/dbraw/zinc/26/21/59/1076262159.db2.gz USQFZOBKJWAJGW-CYBMUJFWSA-N 1 3 378.481 -1.147 20 0 GAADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCN(CC(N)=O)C(=O)C3)CC2)CC1 ZINC001683493278 1076589327 /nfs/dbraw/zinc/58/93/27/1076589327.db2.gz PATVLACZLZJSSS-UHFFFAOYSA-N 1 3 380.493 -1.116 20 0 GAADHO