smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+]1CCN(CC(=O)N2CCN(C(=O)CN3CC[NH+](CC)CC3)CC2)CC1 ZINC000022583924 1074833272 /nfs/dbraw/zinc/83/32/72/1074833272.db2.gz UYVFPYUGOBCDSX-UHFFFAOYSA-N 2 0 394.564 -1.068 20 0 GAADRP Cn1c2ncn(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c2c(=O)n(C)c1=O ZINC000104532694 1074232524 /nfs/dbraw/zinc/23/25/24/1074232524.db2.gz FPCPJJRVEIMMOH-UHFFFAOYSA-N 2 0 379.465 -1.615 20 0 GAADRP Cn1cnc2c1c(=O)n(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(=O)n2C ZINC000104532828 1074232571 /nfs/dbraw/zinc/23/25/71/1074232571.db2.gz GHWZNXLTFOACMG-UHFFFAOYSA-N 2 0 379.465 -1.615 20 0 GAADRP Cn1c2[nH]c(CCC(=O)N(CC[NH+](C)C)CC[NH+](C)C)nc2c(=O)[nH]c1=O ZINC000104533704 1074232607 /nfs/dbraw/zinc/23/26/07/1074232607.db2.gz DDVCJVLLTHUKMX-UHFFFAOYSA-N 2 0 379.465 -1.166 20 0 GAADRP O=C(CCN1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CC[NH2+]CC1 ZINC000262083355 530110990 /nfs/dbraw/zinc/11/09/90/530110990.db2.gz KXSHOURTAJBRLV-UHFFFAOYSA-N 2 0 375.495 -1.997 20 0 GAADRP CN1CCN(S(=O)(=O)N2CCN(C(=O)C[C@H]3COCC[NH2+]3)CC2)CC1 ZINC000262194988 530111200 /nfs/dbraw/zinc/11/12/00/530111200.db2.gz MKVUUGMFXPGBFP-AWEZNQCLSA-N 2 0 375.495 -1.999 20 0 GAADRP CN1CCN(S(=O)(=O)N2CCN(C(=O)C[C@@H]3COCC[NH2+]3)CC2)CC1 ZINC000262194995 530110913 /nfs/dbraw/zinc/11/09/13/530110913.db2.gz MKVUUGMFXPGBFP-CQSZACIVSA-N 2 0 375.495 -1.999 20 0 GAADRP CN(C)C(=O)CNC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000275561399 1073456212 /nfs/dbraw/zinc/45/62/12/1073456212.db2.gz DZGWIKYFKDXILQ-UHFFFAOYSA-N 2 0 376.461 -1.086 20 0 GAADRP CS(=O)(=O)CCNC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000284050124 1075561487 /nfs/dbraw/zinc/56/14/87/1075561487.db2.gz MSCQPQGUUOPMNV-UHFFFAOYSA-N 2 0 397.501 -1.129 20 0 GAADRP CC(=O)NCC(=O)NCC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299581603 1074148234 /nfs/dbraw/zinc/14/82/34/1074148234.db2.gz RDTXKXZJFUVOFG-UHFFFAOYSA-N 2 0 376.461 -1.038 20 0 GAADRP Cn1cc(S(=O)(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)c(=O)n(C)c1=O ZINC000330491256 1074177295 /nfs/dbraw/zinc/17/72/95/1074177295.db2.gz OQLPADGJEQYXES-UHFFFAOYSA-N 2 0 387.506 -1.270 20 0 GAADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N(C)[C@H]3C[NH2+]C[C@@H]3O)CC2)CC1 ZINC000331847915 1075500527 /nfs/dbraw/zinc/50/05/27/1075500527.db2.gz GSGNIVZFCFJOCR-IRXDYDNUSA-N 2 0 381.521 -1.206 20 0 GAADRP C[NH+](C)C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CCO1 ZINC000331864174 1075500913 /nfs/dbraw/zinc/50/09/13/1075500913.db2.gz YKSRWGBYYITAKN-CVEARBPZSA-N 2 0 395.504 -1.554 20 0 GAADRP C[NH+](C)C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CCO1 ZINC000331864178 1075500836 /nfs/dbraw/zinc/50/08/36/1075500836.db2.gz YKSRWGBYYITAKN-HOTGVXAUSA-N 2 0 395.504 -1.554 20 0 GAADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CCO1 ZINC000331864180 1075500771 /nfs/dbraw/zinc/50/07/71/1075500771.db2.gz YKSRWGBYYITAKN-HZPDHXFCSA-N 2 0 395.504 -1.554 20 0 GAADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CCO1 ZINC000331864182 1075500919 /nfs/dbraw/zinc/50/09/19/1075500919.db2.gz YKSRWGBYYITAKN-JKSUJKDBSA-N 2 0 395.504 -1.554 20 0 GAADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CCO1 ZINC000332472467 1075504637 /nfs/dbraw/zinc/50/46/37/1075504637.db2.gz NPBFPEYYPBZOIW-CVEARBPZSA-N 2 0 395.504 -1.460 20 0 GAADRP C[NH+](C)C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CCO1 ZINC000332472468 1075504576 /nfs/dbraw/zinc/50/45/76/1075504576.db2.gz NPBFPEYYPBZOIW-HOTGVXAUSA-N 2 0 395.504 -1.460 20 0 GAADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CCO1 ZINC000332472469 1075504558 /nfs/dbraw/zinc/50/45/58/1075504558.db2.gz NPBFPEYYPBZOIW-HZPDHXFCSA-N 2 0 395.504 -1.460 20 0 GAADRP C[NH+](C)C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CCO1 ZINC000332472470 1075504658 /nfs/dbraw/zinc/50/46/58/1075504658.db2.gz NPBFPEYYPBZOIW-JKSUJKDBSA-N 2 0 395.504 -1.460 20 0 GAADRP CN(C(=O)CN1CN=NC1=O)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000333062400 1075507555 /nfs/dbraw/zinc/50/75/55/1075507555.db2.gz NHHXCLJCWPQZFH-UHFFFAOYSA-N 2 0 379.465 -1.320 20 0 GAADRP C[C@@H](CNC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1)CN1CCOCC1 ZINC000333570250 1075513123 /nfs/dbraw/zinc/51/31/23/1075513123.db2.gz MIORJVJWYOWTOW-AWEZNQCLSA-N 2 0 389.522 -1.417 20 0 GAADRP C[C@H](CNC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1)CN1CCOCC1 ZINC000333570261 1075513084 /nfs/dbraw/zinc/51/30/84/1075513084.db2.gz MIORJVJWYOWTOW-CQSZACIVSA-N 2 0 389.522 -1.417 20 0 GAADRP O=C(C[NH+]1C[C@H](O)C2(CC2)C1)N1CCN(C(=O)C[N@H+]2C[C@H](O)C3(CC3)C2)CC1 ZINC000364451656 1075599487 /nfs/dbraw/zinc/59/94/87/1075599487.db2.gz YLAUQXGWBWRWGW-HOTGVXAUSA-N 2 0 392.500 -1.429 20 0 GAADRP O=C(C[NH+]1C[C@@H](O)C2(CC2)C1)N1CCN(C(=O)C[N@H+]2C[C@@H](O)C3(CC3)C2)CC1 ZINC000364451661 1075599412 /nfs/dbraw/zinc/59/94/12/1075599412.db2.gz YLAUQXGWBWRWGW-HZPDHXFCSA-N 2 0 392.500 -1.429 20 0 GAADRP O=C(C[N@@H+]1CCC2(C1)CC[NH+](CC(=O)N1CCNC1=O)CC2)N1CCNC1=O ZINC000368763432 1075624652 /nfs/dbraw/zinc/62/46/52/1075624652.db2.gz SPHQSEGJYYHFKC-UHFFFAOYSA-N 2 0 392.460 -1.122 20 0 GAADRP C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1=O ZINC000369929112 1075629735 /nfs/dbraw/zinc/62/97/35/1075629735.db2.gz XFGWYGIDLDZKTJ-DLBZAZTESA-N 2 0 381.521 -1.081 20 0 GAADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1=O ZINC000369929113 1075629743 /nfs/dbraw/zinc/62/97/43/1075629743.db2.gz XFGWYGIDLDZKTJ-IAGOWNOFSA-N 2 0 381.521 -1.081 20 0 GAADRP C[NH+](C)CCN1C[C@@H](C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1=O ZINC000369929114 1075629751 /nfs/dbraw/zinc/62/97/51/1075629751.db2.gz XFGWYGIDLDZKTJ-IRXDYDNUSA-N 2 0 381.521 -1.081 20 0 GAADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1=O ZINC000369929115 1075629784 /nfs/dbraw/zinc/62/97/84/1075629784.db2.gz XFGWYGIDLDZKTJ-SJORKVTESA-N 2 0 381.521 -1.081 20 0 GAADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000410497959 1075647572 /nfs/dbraw/zinc/64/75/72/1075647572.db2.gz LXWUCEKTLUMIJV-INIZCTEOSA-N 2 0 397.520 -1.212 20 0 GAADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000410497960 1075647680 /nfs/dbraw/zinc/64/76/80/1075647680.db2.gz LXWUCEKTLUMIJV-MRXNPFEDSA-N 2 0 397.520 -1.212 20 0 GAADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000410506213 1075646764 /nfs/dbraw/zinc/64/67/64/1075646764.db2.gz WZSHJPYUZJBVJZ-UHFFFAOYSA-N 2 0 397.520 -1.210 20 0 GAADRP [NH3+]CCN(CCO)C(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000418864076 1073958854 /nfs/dbraw/zinc/95/88/54/1073958854.db2.gz PXUHIEXCCMYQOB-UHFFFAOYSA-N 2 0 377.489 -1.300 20 0 GAADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000418911912 1073959464 /nfs/dbraw/zinc/95/94/64/1073959464.db2.gz COABMTQBERGLQI-CVEARBPZSA-N 2 0 397.520 -1.227 20 0 GAADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000418911913 1073959411 /nfs/dbraw/zinc/95/94/11/1073959411.db2.gz COABMTQBERGLQI-HOTGVXAUSA-N 2 0 397.520 -1.227 20 0 GAADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000418911914 1073959600 /nfs/dbraw/zinc/95/96/00/1073959600.db2.gz COABMTQBERGLQI-HZPDHXFCSA-N 2 0 397.520 -1.227 20 0 GAADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000418911915 1073959520 /nfs/dbraw/zinc/95/95/20/1073959520.db2.gz COABMTQBERGLQI-JKSUJKDBSA-N 2 0 397.520 -1.227 20 0 GAADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000419345189 1073990329 /nfs/dbraw/zinc/99/03/29/1073990329.db2.gz KGLBZLPZVZJNMU-BFHYXJOUSA-N 2 0 383.493 -1.081 20 0 GAADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000419345190 1073990902 /nfs/dbraw/zinc/99/09/02/1073990902.db2.gz KGLBZLPZVZJNMU-IHRRRGAJSA-N 2 0 383.493 -1.081 20 0 GAADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000419345191 1073991002 /nfs/dbraw/zinc/99/10/02/1073991002.db2.gz KGLBZLPZVZJNMU-MELADBBJSA-N 2 0 383.493 -1.081 20 0 GAADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000419345192 1073991080 /nfs/dbraw/zinc/99/10/80/1073991080.db2.gz KGLBZLPZVZJNMU-MJBXVCDLSA-N 2 0 383.493 -1.081 20 0 GAADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419356298 1073992087 /nfs/dbraw/zinc/99/20/87/1073992087.db2.gz MQXZSSLXPXGLBK-HNNXBMFYSA-N 2 0 383.493 -1.649 20 0 GAADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419356303 1073992264 /nfs/dbraw/zinc/99/22/64/1073992264.db2.gz MQXZSSLXPXGLBK-OAHLLOKOSA-N 2 0 383.493 -1.649 20 0 GAADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419452415 1074004792 /nfs/dbraw/zinc/00/47/92/1074004792.db2.gz PJKBYGDXCCRVAF-INIZCTEOSA-N 2 0 397.520 -1.259 20 0 GAADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419452418 1074004704 /nfs/dbraw/zinc/00/47/04/1074004704.db2.gz PJKBYGDXCCRVAF-MRXNPFEDSA-N 2 0 397.520 -1.259 20 0 GAADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419683839 1074009478 /nfs/dbraw/zinc/00/94/78/1074009478.db2.gz VNHNITFDQDQDOB-INIZCTEOSA-N 2 0 397.520 -1.259 20 0 GAADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419683841 1074009391 /nfs/dbraw/zinc/00/93/91/1074009391.db2.gz VNHNITFDQDQDOB-MRXNPFEDSA-N 2 0 397.520 -1.259 20 0 GAADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000419860240 1074011432 /nfs/dbraw/zinc/01/14/32/1074011432.db2.gz BLTTZSDZWSEFKI-UHFFFAOYSA-N 2 0 376.461 -1.240 20 0 GAADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCCN3CC[NH2+]CC3)CC2)c1 ZINC000419861940 1074011801 /nfs/dbraw/zinc/01/18/01/1074011801.db2.gz FPZRSWDGEGXVBS-UHFFFAOYSA-N 2 0 376.461 -1.240 20 0 GAADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000419862615 1074011932 /nfs/dbraw/zinc/01/19/32/1074011932.db2.gz GZVIRKPHVVNRFI-UHFFFAOYSA-N 2 0 394.520 -1.836 20 0 GAADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000419864499 1074011693 /nfs/dbraw/zinc/01/16/93/1074011693.db2.gz JBXUQURTLRHIRA-INIZCTEOSA-N 2 0 394.520 -1.837 20 0 GAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000419864503 1074011849 /nfs/dbraw/zinc/01/18/49/1074011849.db2.gz JBXUQURTLRHIRA-MRXNPFEDSA-N 2 0 394.520 -1.837 20 0 GAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000419868674 1074011894 /nfs/dbraw/zinc/01/18/94/1074011894.db2.gz MFWUWMHADOEYBF-UHFFFAOYSA-N 2 0 382.509 -1.980 20 0 GAADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000419874275 1074012347 /nfs/dbraw/zinc/01/23/47/1074012347.db2.gz SUMBNALUYLTZOW-UHFFFAOYSA-N 2 0 380.493 -2.226 20 0 GAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000419876467 1074012755 /nfs/dbraw/zinc/01/27/55/1074012755.db2.gz VSIOCUJWDCTIBC-UHFFFAOYSA-N 2 0 396.536 -1.590 20 0 GAADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000419896969 1074013522 /nfs/dbraw/zinc/01/35/22/1074013522.db2.gz YKGCGCVXIUSDRL-KRWDZBQOSA-N 2 0 380.537 -1.364 20 0 GAADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000419896970 1074013288 /nfs/dbraw/zinc/01/32/88/1074013288.db2.gz YKGCGCVXIUSDRL-QGZVFWFLSA-N 2 0 380.537 -1.364 20 0 GAADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000420065293 1074018238 /nfs/dbraw/zinc/01/82/38/1074018238.db2.gz PLGQGBKQRKWBQX-CABCVRRESA-N 2 0 395.504 -1.018 20 0 GAADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000420065294 1074018289 /nfs/dbraw/zinc/01/82/89/1074018289.db2.gz PLGQGBKQRKWBQX-GJZGRUSLSA-N 2 0 395.504 -1.018 20 0 GAADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000420065295 1074018271 /nfs/dbraw/zinc/01/82/71/1074018271.db2.gz PLGQGBKQRKWBQX-HUUCEWRRSA-N 2 0 395.504 -1.018 20 0 GAADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000420065296 1074018392 /nfs/dbraw/zinc/01/83/92/1074018392.db2.gz PLGQGBKQRKWBQX-LSDHHAIUSA-N 2 0 395.504 -1.018 20 0 GAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000420216614 1074022336 /nfs/dbraw/zinc/02/23/36/1074022336.db2.gz MIJNAPSFFCOKKV-HNNXBMFYSA-N 2 0 383.493 -1.506 20 0 GAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000420216616 1074022239 /nfs/dbraw/zinc/02/22/39/1074022239.db2.gz MIJNAPSFFCOKKV-OAHLLOKOSA-N 2 0 383.493 -1.506 20 0 GAADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000423215377 1074046344 /nfs/dbraw/zinc/04/63/44/1074046344.db2.gz QNWSTEMGGRYBTD-CVEARBPZSA-N 2 0 397.520 -1.131 20 0 GAADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000423215378 1074046325 /nfs/dbraw/zinc/04/63/25/1074046325.db2.gz QNWSTEMGGRYBTD-HOTGVXAUSA-N 2 0 397.520 -1.131 20 0 GAADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000423215379 1074046243 /nfs/dbraw/zinc/04/62/43/1074046243.db2.gz QNWSTEMGGRYBTD-HZPDHXFCSA-N 2 0 397.520 -1.131 20 0 GAADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000423215380 1074046296 /nfs/dbraw/zinc/04/62/96/1074046296.db2.gz QNWSTEMGGRYBTD-JKSUJKDBSA-N 2 0 397.520 -1.131 20 0 GAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000423249573 1074047161 /nfs/dbraw/zinc/04/71/61/1074047161.db2.gz OVUCUOKWGFZWDG-HNNXBMFYSA-N 2 0 383.493 -1.425 20 0 GAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC1 ZINC000423249574 1074047119 /nfs/dbraw/zinc/04/71/19/1074047119.db2.gz OVUCUOKWGFZWDG-OAHLLOKOSA-N 2 0 383.493 -1.425 20 0 GAADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423270028 1074048098 /nfs/dbraw/zinc/04/80/98/1074048098.db2.gz WHRLRBJHULSOFZ-INIZCTEOSA-N 2 0 397.520 -1.307 20 0 GAADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423270029 1074047975 /nfs/dbraw/zinc/04/79/75/1074047975.db2.gz WHRLRBJHULSOFZ-MRXNPFEDSA-N 2 0 397.520 -1.307 20 0 GAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])CC1 ZINC000423679105 1074058782 /nfs/dbraw/zinc/05/87/82/1074058782.db2.gz SZCMHPYXNZMOFD-CVEARBPZSA-N 2 0 397.520 -1.036 20 0 GAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])CC1 ZINC000423679106 1074058700 /nfs/dbraw/zinc/05/87/00/1074058700.db2.gz SZCMHPYXNZMOFD-HOTGVXAUSA-N 2 0 397.520 -1.036 20 0 GAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@@H](OC)C[C@@H]2C[NH3+])CC1 ZINC000423679107 1074058635 /nfs/dbraw/zinc/05/86/35/1074058635.db2.gz SZCMHPYXNZMOFD-HZPDHXFCSA-N 2 0 397.520 -1.036 20 0 GAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@@H](OC)C[C@H]2C[NH3+])CC1 ZINC000423679108 1074058578 /nfs/dbraw/zinc/05/85/78/1074058578.db2.gz SZCMHPYXNZMOFD-JKSUJKDBSA-N 2 0 397.520 -1.036 20 0 GAADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000423685271 1074059386 /nfs/dbraw/zinc/05/93/86/1074059386.db2.gz RUDNWDLEXPEXMI-ABSDTBQOSA-N 2 0 390.484 -1.127 20 0 GAADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000423685272 1074059292 /nfs/dbraw/zinc/05/92/92/1074059292.db2.gz RUDNWDLEXPEXMI-ZWOKBUDYSA-N 2 0 390.484 -1.127 20 0 GAADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424524719 1074066619 /nfs/dbraw/zinc/06/66/19/1074066619.db2.gz QDCYFAQNJWMGTM-HRCADAONSA-N 2 0 378.477 -1.100 20 0 GAADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424524720 1074066569 /nfs/dbraw/zinc/06/65/69/1074066569.db2.gz QDCYFAQNJWMGTM-OWCLPIDISA-N 2 0 378.477 -1.100 20 0 GAADRP COc1nc(NCCN2CC[NH+](C)CC2)nc(NCCN2CC[NH+](C)CC2)n1 ZINC000426599284 1074145135 /nfs/dbraw/zinc/14/51/35/1074145135.db2.gz VJFIVUZYLKQCLB-UHFFFAOYSA-N 2 0 393.540 -1.957 20 0 GAADRP COc1nc(N2CCC[NH+](CCO)CC2)nc(N2CCC[N@H+](CCO)CC2)n1 ZINC000426898252 1074160369 /nfs/dbraw/zinc/16/03/69/1074160369.db2.gz KZQZEDWSKLXPPU-UHFFFAOYSA-N 2 0 395.508 -1.111 20 0 GAADRP C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H]1CC[C@@H](C(=O)NC[C@](C)(O)C[NH+](C)C)O1 ZINC000427652628 1074189204 /nfs/dbraw/zinc/18/92/04/1074189204.db2.gz FJSJMAAIYWVTSI-DFEHZGFQSA-N 2 0 388.509 -1.608 20 0 GAADRP C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H]1CC[C@@H](C(=O)NC[C@@](C)(O)C[NH+](C)C)O1 ZINC000427652629 1074189202 /nfs/dbraw/zinc/18/92/02/1074189202.db2.gz FJSJMAAIYWVTSI-LBTBCDHLSA-N 2 0 388.509 -1.608 20 0 GAADRP C[NH+](C)C[C@](C)(O)CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@@](C)(O)C[NH+](C)C)O1 ZINC000427652630 1074189264 /nfs/dbraw/zinc/18/92/64/1074189264.db2.gz FJSJMAAIYWVTSI-LTCOOKNTSA-N 2 0 388.509 -1.608 20 0 GAADRP C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H]1CC[C@H](C(=O)NC[C@](C)(O)C[NH+](C)C)O1 ZINC000427652631 1074189191 /nfs/dbraw/zinc/18/91/91/1074189191.db2.gz FJSJMAAIYWVTSI-PURYLZLUSA-N 2 0 388.509 -1.608 20 0 GAADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000428213384 1074193837 /nfs/dbraw/zinc/19/38/37/1074193837.db2.gz RZOGZHIZNGPNQM-HNNXBMFYSA-N 2 0 381.477 -1.943 20 0 GAADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000428213385 1074193903 /nfs/dbraw/zinc/19/39/03/1074193903.db2.gz RZOGZHIZNGPNQM-OAHLLOKOSA-N 2 0 381.477 -1.943 20 0 GAADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[N@H+](C)CC2)cn1 ZINC000429795681 1074587337 /nfs/dbraw/zinc/58/73/37/1074587337.db2.gz SEDUFDUEZAWJBT-UHFFFAOYSA-N 2 0 379.465 -1.337 20 0 GAADRP Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)c(=O)n2C ZINC000430602501 1073557953 /nfs/dbraw/zinc/55/79/53/1073557953.db2.gz LOKLUXXHKJNHDU-CYBMUJFWSA-N 2 0 391.476 -1.389 20 0 GAADRP Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1)c(=O)n2C ZINC000430602503 1073558143 /nfs/dbraw/zinc/55/81/43/1073558143.db2.gz LOKLUXXHKJNHDU-ZDUSSCGKSA-N 2 0 391.476 -1.389 20 0 GAADRP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000430606855 1073557901 /nfs/dbraw/zinc/55/79/01/1073557901.db2.gz WRXVPTYCIQIHFU-HNNXBMFYSA-N 2 0 382.509 -1.994 20 0 GAADRP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000430606856 1073557808 /nfs/dbraw/zinc/55/78/08/1073557808.db2.gz WRXVPTYCIQIHFU-OAHLLOKOSA-N 2 0 382.509 -1.994 20 0 GAADRP Cn1cc(S(=O)(=O)NCC[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cn1 ZINC000430615587 1073561628 /nfs/dbraw/zinc/56/16/28/1073561628.db2.gz CJBUQTLSDXKXRN-AWEZNQCLSA-N 2 0 384.506 -1.158 20 0 GAADRP Cn1cc(S(=O)(=O)NCC[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cn1 ZINC000430615588 1073561501 /nfs/dbraw/zinc/56/15/01/1073561501.db2.gz CJBUQTLSDXKXRN-CQSZACIVSA-N 2 0 384.506 -1.158 20 0 GAADRP CN(CCCNC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)S(C)(=O)=O ZINC000430627159 530118293 /nfs/dbraw/zinc/11/82/93/530118293.db2.gz MNSWLEZPAHRWTB-CYBMUJFWSA-N 2 0 377.511 -1.829 20 0 GAADRP CN(CCCNC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1)S(C)(=O)=O ZINC000430627165 530117865 /nfs/dbraw/zinc/11/78/65/530117865.db2.gz MNSWLEZPAHRWTB-ZDUSSCGKSA-N 2 0 377.511 -1.829 20 0 GAADRP Cn1c2ncn(CC[N@@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)c2c(=O)n(C)c1=O ZINC000430638963 1073565944 /nfs/dbraw/zinc/56/59/44/1073565944.db2.gz GTPWCTDIIIQZCH-GFCCVEGCSA-N 2 0 377.449 -1.779 20 0 GAADRP Cn1c2ncn(CC[N@@H+]3CCC[C@H](C(=O)NCC[NH3+])C3)c2c(=O)n(C)c1=O ZINC000430638967 1073566007 /nfs/dbraw/zinc/56/60/07/1073566007.db2.gz GTPWCTDIIIQZCH-LBPRGKRZSA-N 2 0 377.449 -1.779 20 0 GAADRP C[N@H+](CCC(=O)N1CCN(c2ncccn2)CC1)CC(=O)N1CC[NH2+]CC1 ZINC000430640055 1073565887 /nfs/dbraw/zinc/56/58/87/1073565887.db2.gz JHHIZKYRJIWZOV-UHFFFAOYSA-N 2 0 375.477 -1.121 20 0 GAADRP NC(=O)COc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430653666 1073567725 /nfs/dbraw/zinc/56/77/25/1073567725.db2.gz PINCALKZXVOJAF-HNNXBMFYSA-N 2 0 391.472 -1.046 20 0 GAADRP NC(=O)COc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430653667 1073567608 /nfs/dbraw/zinc/56/76/08/1073567608.db2.gz PINCALKZXVOJAF-OAHLLOKOSA-N 2 0 391.472 -1.046 20 0 GAADRP Cn1cnc2c1c(=O)n(CCC[N@H+](C)CC(=O)N1CC[NH2+]CC1)c(=O)n2C ZINC000430669627 1073570544 /nfs/dbraw/zinc/57/05/44/1073570544.db2.gz UEXDTURFUVKCGL-UHFFFAOYSA-N 2 0 377.449 -1.813 20 0 GAADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1 ZINC000433126827 1073985481 /nfs/dbraw/zinc/98/54/81/1073985481.db2.gz QBAKYZSUIDXBBN-UHFFFAOYSA-N 2 0 395.504 -1.281 20 0 GAADRP Cn1c2ncn(CC[N@@H+]3CCCC[C@@H]3CNC(=O)CC[NH3+])c2c(=O)n(C)c1=O ZINC000436054186 1074089071 /nfs/dbraw/zinc/08/90/71/1074089071.db2.gz HFBSRUBDQKKCMP-CYBMUJFWSA-N 2 0 391.476 -1.247 20 0 GAADRP Cn1c2ncn(CC[N@@H+]3CCCC[C@H]3CNC(=O)CC[NH3+])c2c(=O)n(C)c1=O ZINC000436054191 1074089122 /nfs/dbraw/zinc/08/91/22/1074089122.db2.gz HFBSRUBDQKKCMP-ZDUSSCGKSA-N 2 0 391.476 -1.247 20 0 GAADRP O=C(COCC(=O)NCC[N@@H+]1CCCOCC1)NCC[NH+]1CCCOCC1 ZINC000438696231 1074120619 /nfs/dbraw/zinc/12/06/19/1074120619.db2.gz USKWUJUXVPFMFY-UHFFFAOYSA-N 2 0 386.493 -1.320 20 0 GAADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H](C)S(N)(=O)=O ZINC000439227210 1074127475 /nfs/dbraw/zinc/12/74/75/1074127475.db2.gz YCNZKVKEZRUULC-KBPBESRZSA-N 2 0 391.538 -1.346 20 0 GAADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O ZINC000439227211 1074127585 /nfs/dbraw/zinc/12/75/85/1074127585.db2.gz YCNZKVKEZRUULC-KGLIPLIRSA-N 2 0 391.538 -1.346 20 0 GAADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H](C)S(N)(=O)=O ZINC000439227212 1074128225 /nfs/dbraw/zinc/12/82/25/1074128225.db2.gz YCNZKVKEZRUULC-UONOGXRCSA-N 2 0 391.538 -1.346 20 0 GAADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O ZINC000439227213 1074128161 /nfs/dbraw/zinc/12/81/61/1074128161.db2.gz YCNZKVKEZRUULC-ZIAGYGMSSA-N 2 0 391.538 -1.346 20 0 GAADRP CC[C@@](C)([NH2+]CC(=O)N1CCN(C(=O)C[NH2+][C@@](C)(CC)C(N)=O)CC1)C(N)=O ZINC000440554738 1074166100 /nfs/dbraw/zinc/16/61/00/1074166100.db2.gz VHQXFJVOIBGWPJ-HDICACEKSA-N 2 0 398.508 -1.856 20 0 GAADRP CC[C@@](C)([NH2+]CC(=O)N1CCN(C(=O)C[NH2+][C@](C)(CC)C(N)=O)CC1)C(N)=O ZINC000440554742 1074166039 /nfs/dbraw/zinc/16/60/39/1074166039.db2.gz VHQXFJVOIBGWPJ-QZTJIDSGSA-N 2 0 398.508 -1.856 20 0 GAADRP CC[C@](C)([NH2+]CC(=O)N1CCN(C(=O)C[NH2+][C@@](C)(CC)C(N)=O)CC1)C(N)=O ZINC000440554744 1074165983 /nfs/dbraw/zinc/16/59/83/1074165983.db2.gz VHQXFJVOIBGWPJ-ROUUACIJSA-N 2 0 398.508 -1.856 20 0 GAADRP Cc1cnc(NCCN2CC[NH+](C)CC2)nc1NCCN1CC[NH+](C)CC1 ZINC000444119440 1074230158 /nfs/dbraw/zinc/23/01/58/1074230158.db2.gz DNGQFECKUILHHN-UHFFFAOYSA-N 2 0 376.553 -1.053 20 0 GAADRP COc1nc(NCC[NH+]2CCCOCC2)nc(NCC[N@@H+]2CCCOCC2)n1 ZINC000445668427 1074245215 /nfs/dbraw/zinc/24/52/15/1074245215.db2.gz YVLMHCYXIIBZMU-UHFFFAOYSA-N 2 0 395.508 -1.008 20 0 GAADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)n1 ZINC000446736936 1074249515 /nfs/dbraw/zinc/24/95/15/1074249515.db2.gz RTQVPUKNEQIACK-HNNXBMFYSA-N 2 0 378.477 -0.436 20 0 GAADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)n1 ZINC000446736937 1074872488 /nfs/dbraw/zinc/87/24/88/1074872488.db2.gz RTQVPUKNEQIACK-OAHLLOKOSA-N 2 0 378.477 -0.436 20 0 GAADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000467699170 1075450527 /nfs/dbraw/zinc/45/05/27/1075450527.db2.gz SNPOMIBCOUYNHW-INIZCTEOSA-N 2 0 397.520 -1.355 20 0 GAADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000467699171 1075676259 /nfs/dbraw/zinc/67/62/59/1075676259.db2.gz SNPOMIBCOUYNHW-MRXNPFEDSA-N 2 0 397.520 -1.355 20 0 GAADRP CNc1nc(N2CCC[NH+](CCO)CC2)nc(N2CCC[N@H+](CCO)CC2)n1 ZINC000467769405 1075676656 /nfs/dbraw/zinc/67/66/56/1075676656.db2.gz NXBQSBDDTONKTN-UHFFFAOYSA-N 2 0 394.524 -1.656 20 0 GAADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)cn1 ZINC000469704384 1075685722 /nfs/dbraw/zinc/68/57/22/1075685722.db2.gz PZSXTDYCTXZSKK-AWEZNQCLSA-N 2 0 393.492 -1.091 20 0 GAADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)cn1 ZINC000469704400 1075685718 /nfs/dbraw/zinc/68/57/18/1075685718.db2.gz PZSXTDYCTXZSKK-CQSZACIVSA-N 2 0 393.492 -1.091 20 0 GAADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[NH+]3CCC2CC3)cn1 ZINC000471217345 1073440407 /nfs/dbraw/zinc/44/04/07/1073440407.db2.gz XABBVFADWDPIBI-UHFFFAOYSA-N 2 0 391.476 -1.194 20 0 GAADRP C[C@@H]1C[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3C[C@@H](C)[C@H](CO)C3)CC2)C[C@H]1CO ZINC000484725789 1074448444 /nfs/dbraw/zinc/44/84/44/1074448444.db2.gz HFPISGNYVQSAFU-BDXSIMOUSA-N 2 0 396.532 -1.222 20 0 GAADRP NS(=O)(=O)C[C@@H]1CCC[NH+]1CCOCC[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000489661702 530136427 /nfs/dbraw/zinc/13/64/27/530136427.db2.gz YSDMFIXIOJTQSD-KBPBESRZSA-N 2 0 398.551 -1.491 20 0 GAADRP NS(=O)(=O)C[C@H]1CCC[N@@H+]1CCOCC[NH+]1CCC[C@H]1CS(N)(=O)=O ZINC000489661703 530136332 /nfs/dbraw/zinc/13/63/32/530136332.db2.gz YSDMFIXIOJTQSD-OKILXGFUSA-N 2 0 398.551 -1.491 20 0 GAADRP NS(=O)(=O)C[C@H]1CCC[NH+]1CCOCC[N@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000489661704 530136468 /nfs/dbraw/zinc/13/64/68/530136468.db2.gz YSDMFIXIOJTQSD-ZIAGYGMSSA-N 2 0 398.551 -1.491 20 0 GAADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCC(C)(C)[NH+](C)C)cn1 ZINC000490283364 1074502888 /nfs/dbraw/zinc/50/28/88/1074502888.db2.gz HIZSFDRJJABAAA-UHFFFAOYSA-N 2 0 381.481 -1.044 20 0 GAADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCC[NH+]2CCCC2)cn1 ZINC000490460806 1074503334 /nfs/dbraw/zinc/50/33/34/1074503334.db2.gz XVUPYIUVORGCMU-UHFFFAOYSA-N 2 0 379.465 -1.289 20 0 GAADRP CN(C)C(=O)CN1CCN(C(=O)C[N@H+](C)CCCN2CC[NH+](C)CC2)CC1 ZINC000492630429 1074615410 /nfs/dbraw/zinc/61/54/10/1074615410.db2.gz QGZTXQSCPGNGMI-UHFFFAOYSA-N 2 0 382.553 -1.212 20 0 GAADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000509717857 1074586889 /nfs/dbraw/zinc/58/68/89/1074586889.db2.gz WJMVJFTXGKQUSM-INIZCTEOSA-N 2 0 397.520 -1.164 20 0 GAADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000509717864 1074587129 /nfs/dbraw/zinc/58/71/29/1074587129.db2.gz WJMVJFTXGKQUSM-MRXNPFEDSA-N 2 0 397.520 -1.164 20 0 GAADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000509718214 1074587540 /nfs/dbraw/zinc/58/75/40/1074587540.db2.gz XRRIKTHXENXVFL-UHFFFAOYSA-N 2 0 397.520 -1.163 20 0 GAADRP C[NH+]1CCCN(CC(=O)N2CCN(C(=O)CN3CCC[N@@H+](C)CC3)CC2)CC1 ZINC000514317490 1074073139 /nfs/dbraw/zinc/07/31/39/1074073139.db2.gz ZGFDBGOXVHQOLY-UHFFFAOYSA-N 2 0 394.564 -1.068 20 0 GAADRP O=C(C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000514666913 1074076967 /nfs/dbraw/zinc/07/69/67/1074076967.db2.gz BIJXATHMKNNFKL-CVEARBPZSA-N 2 0 377.489 -1.037 20 0 GAADRP O=C(C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000514666919 1074076893 /nfs/dbraw/zinc/07/68/93/1074076893.db2.gz BIJXATHMKNNFKL-HOTGVXAUSA-N 2 0 377.489 -1.037 20 0 GAADRP O=C(C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000514666920 1074077576 /nfs/dbraw/zinc/07/75/76/1074077576.db2.gz BIJXATHMKNNFKL-HZPDHXFCSA-N 2 0 377.489 -1.037 20 0 GAADRP O=C(C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000514666921 1074077448 /nfs/dbraw/zinc/07/74/48/1074077448.db2.gz BIJXATHMKNNFKL-JKSUJKDBSA-N 2 0 377.489 -1.037 20 0 GAADRP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000514951285 1074082483 /nfs/dbraw/zinc/08/24/83/1074082483.db2.gz LVKHHCOWUPOBAB-HNNXBMFYSA-N 2 0 375.477 -1.027 20 0 GAADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000515312714 1074087277 /nfs/dbraw/zinc/08/72/77/1074087277.db2.gz XLGNHLCJCSXBQN-CVEARBPZSA-N 2 0 395.504 -1.238 20 0 GAADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000515312715 1074087151 /nfs/dbraw/zinc/08/71/51/1074087151.db2.gz XLGNHLCJCSXBQN-HOTGVXAUSA-N 2 0 395.504 -1.238 20 0 GAADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000515312716 1074087686 /nfs/dbraw/zinc/08/76/86/1074087686.db2.gz XLGNHLCJCSXBQN-HZPDHXFCSA-N 2 0 395.504 -1.238 20 0 GAADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000515312717 1074087736 /nfs/dbraw/zinc/08/77/36/1074087736.db2.gz XLGNHLCJCSXBQN-JKSUJKDBSA-N 2 0 395.504 -1.238 20 0 GAADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000515673407 1074091640 /nfs/dbraw/zinc/09/16/40/1074091640.db2.gz YGFSIWGSDKDJOR-ILXRZTDVSA-N 2 0 380.493 -1.118 20 0 GAADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000515673408 1074091711 /nfs/dbraw/zinc/09/17/11/1074091711.db2.gz YGFSIWGSDKDJOR-KFWWJZLASA-N 2 0 380.493 -1.118 20 0 GAADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000515673409 1074091484 /nfs/dbraw/zinc/09/14/84/1074091484.db2.gz YGFSIWGSDKDJOR-KKUMJFAQSA-N 2 0 380.493 -1.118 20 0 GAADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000515673410 1074091497 /nfs/dbraw/zinc/09/14/97/1074091497.db2.gz YGFSIWGSDKDJOR-ZNMIVQPWSA-N 2 0 380.493 -1.118 20 0 GAADRP CC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C(=O)N1CCOCC1 ZINC000516505120 1074098221 /nfs/dbraw/zinc/09/82/21/1074098221.db2.gz PFBVFSXAUUDFTP-HNNXBMFYSA-N 2 0 385.509 -1.308 20 0 GAADRP CC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C(=O)N1CCOCC1 ZINC000516505121 1074098087 /nfs/dbraw/zinc/09/80/87/1074098087.db2.gz PFBVFSXAUUDFTP-OAHLLOKOSA-N 2 0 385.509 -1.308 20 0 GAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000516562175 1074099538 /nfs/dbraw/zinc/09/95/38/1074099538.db2.gz CYBKKOYLCIDSEQ-ARFHVFGLSA-N 2 0 377.489 -1.181 20 0 GAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000516562176 1074099361 /nfs/dbraw/zinc/09/93/61/1074099361.db2.gz CYBKKOYLCIDSEQ-BZUAXINKSA-N 2 0 377.489 -1.181 20 0 GAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000516562177 1074099608 /nfs/dbraw/zinc/09/96/08/1074099608.db2.gz CYBKKOYLCIDSEQ-HRCADAONSA-N 2 0 377.489 -1.181 20 0 GAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000516562178 1074099456 /nfs/dbraw/zinc/09/94/56/1074099456.db2.gz CYBKKOYLCIDSEQ-OWCLPIDISA-N 2 0 377.489 -1.181 20 0 GAADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000517226437 1074112457 /nfs/dbraw/zinc/11/24/57/1074112457.db2.gz VTEXBLWXWCFGRU-HNNXBMFYSA-N 2 0 383.493 -1.506 20 0 GAADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000517226438 1074112371 /nfs/dbraw/zinc/11/23/71/1074112371.db2.gz VTEXBLWXWCFGRU-OAHLLOKOSA-N 2 0 383.493 -1.506 20 0 GAADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCN(C)C[C@@H]3C[NH3+])CC2)c1 ZINC000518360317 1074124590 /nfs/dbraw/zinc/12/45/90/1074124590.db2.gz QDJKPGUBFUWVGE-AWEZNQCLSA-N 2 0 376.461 -1.160 20 0 GAADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCN(C)C[C@H]3C[NH3+])CC2)c1 ZINC000518360318 1074124655 /nfs/dbraw/zinc/12/46/55/1074124655.db2.gz QDJKPGUBFUWVGE-CQSZACIVSA-N 2 0 376.461 -1.160 20 0 GAADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCN(C[C@H]2CCCC[NH+]2C)CC1 ZINC000518418573 1074125856 /nfs/dbraw/zinc/12/58/56/1074125856.db2.gz ZPPASPXTOBDJCH-MSOLQXFVSA-N 2 0 394.564 -1.023 20 0 GAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCN(C[C@H]2CCCC[NH+]2C)CC1 ZINC000518418574 1074125773 /nfs/dbraw/zinc/12/57/73/1074125773.db2.gz ZPPASPXTOBDJCH-QZTJIDSGSA-N 2 0 394.564 -1.023 20 0 GAADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[NH+]2C)CC1 ZINC000518418575 1074125813 /nfs/dbraw/zinc/12/58/13/1074125813.db2.gz ZPPASPXTOBDJCH-ROUUACIJSA-N 2 0 394.564 -1.023 20 0 GAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[NH+]2C)CC1 ZINC000518418576 1074125890 /nfs/dbraw/zinc/12/58/90/1074125890.db2.gz ZPPASPXTOBDJCH-ZWKOTPCHSA-N 2 0 394.564 -1.023 20 0 GAADRP C[NH+](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 1074128126 /nfs/dbraw/zinc/12/81/26/1074128126.db2.gz AENOBSFZGIKYGC-FQMQPWHVSA-N 2 0 382.505 -1.331 20 0 GAADRP C[NH+](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 ZINC000518560474 1074129006 /nfs/dbraw/zinc/12/90/06/1074129006.db2.gz AENOBSFZGIKYGC-UYLCUJDWSA-N 2 0 382.505 -1.331 20 0 GAADRP C[NH+](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 ZINC000518560475 1074128928 /nfs/dbraw/zinc/12/89/28/1074128928.db2.gz AENOBSFZGIKYGC-XDKXFUCDSA-N 2 0 382.505 -1.331 20 0 GAADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000519365294 1074145783 /nfs/dbraw/zinc/14/57/83/1074145783.db2.gz VTIHHMQSJFXZFD-CVEARBPZSA-N 2 0 395.504 -1.377 20 0 GAADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000519365295 1074145718 /nfs/dbraw/zinc/14/57/18/1074145718.db2.gz VTIHHMQSJFXZFD-HOTGVXAUSA-N 2 0 395.504 -1.377 20 0 GAADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000519365296 1074145813 /nfs/dbraw/zinc/14/58/13/1074145813.db2.gz VTIHHMQSJFXZFD-HZPDHXFCSA-N 2 0 395.504 -1.377 20 0 GAADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000519365297 1074145840 /nfs/dbraw/zinc/14/58/40/1074145840.db2.gz VTIHHMQSJFXZFD-JKSUJKDBSA-N 2 0 395.504 -1.377 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000519587185 1074159863 /nfs/dbraw/zinc/15/98/63/1074159863.db2.gz WUJYXDPQRSAIEP-INIZCTEOSA-N 2 0 397.520 -1.212 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000519587203 1074159993 /nfs/dbraw/zinc/15/99/93/1074159993.db2.gz WUJYXDPQRSAIEP-MRXNPFEDSA-N 2 0 397.520 -1.212 20 0 GAADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000519633931 1074165527 /nfs/dbraw/zinc/16/55/27/1074165527.db2.gz AAIRZNBDVSWPNC-INIZCTEOSA-N 2 0 394.520 -1.837 20 0 GAADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000519633948 1074165841 /nfs/dbraw/zinc/16/58/41/1074165841.db2.gz AAIRZNBDVSWPNC-MRXNPFEDSA-N 2 0 394.520 -1.837 20 0 GAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000519697750 1074166051 /nfs/dbraw/zinc/16/60/51/1074166051.db2.gz ARDUDTPNMKGMIS-CAOSSQGBSA-N 2 0 377.489 -1.053 20 0 GAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000519697754 1074166078 /nfs/dbraw/zinc/16/60/78/1074166078.db2.gz ARDUDTPNMKGMIS-XUWVNRHRSA-N 2 0 377.489 -1.053 20 0 GAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000519697756 1074166191 /nfs/dbraw/zinc/16/61/91/1074166191.db2.gz ARDUDTPNMKGMIS-YHUYYLMFSA-N 2 0 377.489 -1.053 20 0 GAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000519697759 1074166009 /nfs/dbraw/zinc/16/60/09/1074166009.db2.gz ARDUDTPNMKGMIS-ZJIFWQFVSA-N 2 0 377.489 -1.053 20 0 GAADRP C[NH+](C)[C@H]1CN(C(=O)c2ccc(C(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)o2)C[C@@H]1O ZINC000520608141 1074595891 /nfs/dbraw/zinc/59/58/91/1074595891.db2.gz SENVOFKDDIEUHA-XUXIUFHCSA-N 2 0 380.445 -1.227 20 0 GAADRP CN(C(=O)CSCC(N)=O)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000522818879 1074229709 /nfs/dbraw/zinc/22/97/09/1074229709.db2.gz RKAJWHFJSPBCIM-UHFFFAOYSA-N 2 0 385.534 -1.098 20 0 GAADRP CN(C)C(=O)Cn1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn1 ZINC000525882780 1074252872 /nfs/dbraw/zinc/25/28/72/1074252872.db2.gz ZCMOUGPNVPTAFD-UHFFFAOYSA-N 2 0 381.481 -1.138 20 0 GAADRP CNC(=O)Cn1nc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1C ZINC000525882800 1074874759 /nfs/dbraw/zinc/87/47/59/1074874759.db2.gz HDUFCFFOPMMQBV-UHFFFAOYSA-N 2 0 381.481 -1.172 20 0 GAADRP CN(CCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)C(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000527117495 1074257433 /nfs/dbraw/zinc/25/74/33/1074257433.db2.gz AOBAHYOYIMNLMY-DLBZAZTESA-N 2 0 378.521 -1.659 20 0 GAADRP CN(CCNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)C(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000527117496 1074257622 /nfs/dbraw/zinc/25/76/22/1074257622.db2.gz AOBAHYOYIMNLMY-IAGOWNOFSA-N 2 0 378.521 -1.659 20 0 GAADRP CN(CCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)C(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000527117497 1074257546 /nfs/dbraw/zinc/25/75/46/1074257546.db2.gz AOBAHYOYIMNLMY-IRXDYDNUSA-N 2 0 378.521 -1.659 20 0 GAADRP CN(CCNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)C(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000527117498 1074257495 /nfs/dbraw/zinc/25/74/95/1074257495.db2.gz AOBAHYOYIMNLMY-SJORKVTESA-N 2 0 378.521 -1.659 20 0 GAADRP CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC000527124198 1074257607 /nfs/dbraw/zinc/25/76/07/1074257607.db2.gz MHFMCRPSFMLTRA-UHFFFAOYSA-N 2 0 381.481 -1.138 20 0 GAADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529304448 1074264454 /nfs/dbraw/zinc/26/44/54/1074264454.db2.gz DUWOPSJTMWAUGN-INIZCTEOSA-N 2 0 381.525 -1.025 20 0 GAADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529304452 1074264260 /nfs/dbraw/zinc/26/42/60/1074264260.db2.gz DUWOPSJTMWAUGN-MRXNPFEDSA-N 2 0 381.525 -1.025 20 0 GAADRP C[NH+]1CC[C@](O)(CNC(=O)c2cc(C(=O)NC[C@]3(O)CC[N@@H+](C)C3)ccn2)C1 ZINC000530350164 1074269575 /nfs/dbraw/zinc/26/95/75/1074269575.db2.gz BDQQCRQEDUATSD-MOPGFXCFSA-N 2 0 391.472 -1.326 20 0 GAADRP C[NH+]1CC[C@](O)(CNC(=O)c2cc(C(=O)NC[C@@]3(O)CC[N@@H+](C)C3)ccn2)C1 ZINC000530350165 1074269646 /nfs/dbraw/zinc/26/96/46/1074269646.db2.gz BDQQCRQEDUATSD-OALUTQOASA-N 2 0 391.472 -1.326 20 0 GAADRP C[NH+]1CC[C@@](O)(CNC(=O)c2cc(C(=O)NC[C@@]3(O)CC[N@@H+](C)C3)ccn2)C1 ZINC000530350166 1074269722 /nfs/dbraw/zinc/26/97/22/1074269722.db2.gz BDQQCRQEDUATSD-RBUKOAKNSA-N 2 0 391.472 -1.326 20 0 GAADRP C[NH+]1CC[C@@](O)(CNC(=O)c2cc(C(=O)NC[C@]3(O)CC[N@@H+](C)C3)ccn2)C1 ZINC000530350167 1074269748 /nfs/dbraw/zinc/26/97/48/1074269748.db2.gz BDQQCRQEDUATSD-RTBURBONSA-N 2 0 391.472 -1.326 20 0 GAADRP Cn1c2ncn(CCC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c2c(=O)n(C)c1=O ZINC000530641710 1074271209 /nfs/dbraw/zinc/27/12/09/1074271209.db2.gz IXPJKUBJHXYLIX-UHFFFAOYSA-N 2 0 393.492 -1.224 20 0 GAADRP Cn1c2c(ccn2CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(=O)n(C)c1=O ZINC000531357659 1074273491 /nfs/dbraw/zinc/27/34/91/1074273491.db2.gz PXJXTVMRADEPBY-UHFFFAOYSA-N 2 0 378.477 -1.010 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000531357949 1074273460 /nfs/dbraw/zinc/27/34/60/1074273460.db2.gz VDMDTZJFMWMZGV-CABCVRRESA-N 2 0 388.534 -1.026 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000531357950 1074273468 /nfs/dbraw/zinc/27/34/68/1074273468.db2.gz VDMDTZJFMWMZGV-GJZGRUSLSA-N 2 0 388.534 -1.026 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000531357951 1074273554 /nfs/dbraw/zinc/27/35/54/1074273554.db2.gz VDMDTZJFMWMZGV-HUUCEWRRSA-N 2 0 388.534 -1.026 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000531357952 1074273440 /nfs/dbraw/zinc/27/34/40/1074273440.db2.gz VDMDTZJFMWMZGV-LSDHHAIUSA-N 2 0 388.534 -1.026 20 0 GAADRP C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000532020008 1074276269 /nfs/dbraw/zinc/27/62/69/1074276269.db2.gz KNFJWPGHPSDIPP-AWEZNQCLSA-N 2 0 393.492 -1.043 20 0 GAADRP C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000532020011 1074276746 /nfs/dbraw/zinc/27/67/46/1074276746.db2.gz KNFJWPGHPSDIPP-CQSZACIVSA-N 2 0 393.492 -1.043 20 0 GAADRP CNC(=O)CC[NH+](C)CC(=O)N1CCN(C(=O)C[N@@H+](C)CCC(=O)NC)CC1 ZINC000533277235 1074295701 /nfs/dbraw/zinc/29/57/01/1074295701.db2.gz RBBIPWGWFCTASD-UHFFFAOYSA-N 2 0 398.508 -2.207 20 0 GAADRP C[C@@H]1C[NH+](C)CCN1CC(=O)N1CCN(C(=O)CN2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000533440851 1074297416 /nfs/dbraw/zinc/29/74/16/1074297416.db2.gz KTWASIUHCLKYII-QZTJIDSGSA-N 2 0 394.564 -1.071 20 0 GAADRP C[C@H]1C[NH+](C)CCN1CC(=O)N1CCN(C(=O)CN2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000533440852 1074297629 /nfs/dbraw/zinc/29/76/29/1074297629.db2.gz KTWASIUHCLKYII-ROUUACIJSA-N 2 0 394.564 -1.071 20 0 GAADRP CN(CCN(C)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2)C(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000535718390 1073580528 /nfs/dbraw/zinc/58/05/28/1073580528.db2.gz BLGDXZLTHRXAGA-HDICACEKSA-N 2 0 392.548 -1.317 20 0 GAADRP CN(CCN(C)C(=O)[C@H]1C[N@@H+]2CCN1CCC2)C(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000535718413 1073580371 /nfs/dbraw/zinc/58/03/71/1073580371.db2.gz BLGDXZLTHRXAGA-QZTJIDSGSA-N 2 0 392.548 -1.317 20 0 GAADRP CN(CCN(C)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2)C(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000535718415 1073580332 /nfs/dbraw/zinc/58/03/32/1073580332.db2.gz BLGDXZLTHRXAGA-ROUUACIJSA-N 2 0 392.548 -1.317 20 0 GAADRP NS(=O)(=O)N1CCN(CCCC[NH+]2CCN(S(N)(=O)=O)CC2)CC1 ZINC000536541906 530081999 /nfs/dbraw/zinc/08/19/99/530081999.db2.gz FETNLECYNMRJOR-UHFFFAOYSA-N 2 0 384.528 -2.591 20 0 GAADRP C[NH+]1CC[C@@](O)(CNC(=O)c2cccc(C(=O)NC[C@@]3(O)CC[N@@H+](C)C3)n2)C1 ZINC000545157094 1075678756 /nfs/dbraw/zinc/67/87/56/1075678756.db2.gz ZBXUUXCVEFYZGH-KDURUIRLSA-N 2 0 391.472 -1.326 20 0 GAADRP C[NH+]1CC[C@](O)(CNC(=O)c2cccc(C(=O)NC[C@@]3(O)CC[N@@H+](C)C3)n2)C1 ZINC000545157095 1075678667 /nfs/dbraw/zinc/67/86/67/1075678667.db2.gz ZBXUUXCVEFYZGH-OALUTQOASA-N 2 0 391.472 -1.326 20 0 GAADRP C[NH+]1CC[C@@](O)(CNC(=O)c2cccc(C(=O)NC[C@]3(O)CC[N@@H+](C)C3)n2)C1 ZINC000545157096 1075678734 /nfs/dbraw/zinc/67/87/34/1075678734.db2.gz ZBXUUXCVEFYZGH-RTBURBONSA-N 2 0 391.472 -1.326 20 0 GAADRP C[NH+]1CC[C@](O)(CNC(=O)c2cncc(C(=O)NC[C@]3(O)CC[N@@H+](C)C3)c2)C1 ZINC000545862988 1075683401 /nfs/dbraw/zinc/68/34/01/1075683401.db2.gz KNBYSNFZJZZFDV-KDURUIRLSA-N 2 0 391.472 -1.326 20 0 GAADRP C[NH+]1CC[C@](O)(CNC(=O)c2cncc(C(=O)NC[C@@]3(O)CC[N@@H+](C)C3)c2)C1 ZINC000545862989 1075683379 /nfs/dbraw/zinc/68/33/79/1075683379.db2.gz KNBYSNFZJZZFDV-OALUTQOASA-N 2 0 391.472 -1.326 20 0 GAADRP C[NH+]1CC[C@@](O)(CNC(=O)c2cncc(C(=O)NC[C@]3(O)CC[N@@H+](C)C3)c2)C1 ZINC000545862990 1075683745 /nfs/dbraw/zinc/68/37/45/1075683745.db2.gz KNBYSNFZJZZFDV-RTBURBONSA-N 2 0 391.472 -1.326 20 0 GAADRP COCC[NH+]1CCC(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000552548499 1074371957 /nfs/dbraw/zinc/37/19/57/1074371957.db2.gz BLGCTGLSIPDIBP-HNNXBMFYSA-N 2 0 397.520 -1.083 20 0 GAADRP COCC[NH+]1CCC(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000552548503 1074372112 /nfs/dbraw/zinc/37/21/12/1074372112.db2.gz BLGCTGLSIPDIBP-OAHLLOKOSA-N 2 0 397.520 -1.083 20 0 GAADRP CC(C)(O)CN1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000552558910 1074371410 /nfs/dbraw/zinc/37/14/10/1074371410.db2.gz KQBNGBHCHPXDCO-HNNXBMFYSA-N 2 0 397.520 -1.395 20 0 GAADRP CC(C)(O)CN1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000552558912 1074371323 /nfs/dbraw/zinc/37/13/23/1074371323.db2.gz KQBNGBHCHPXDCO-OAHLLOKOSA-N 2 0 397.520 -1.395 20 0 GAADRP CN(C)C(=O)CN1CCC(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000553777194 1074387723 /nfs/dbraw/zinc/38/77/23/1074387723.db2.gz XNLWZUGNLGFZME-UHFFFAOYSA-N 2 0 398.552 -1.393 20 0 GAADRP C[C@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCN(CCO)CC2)C[C@H]1[NH+](C)C ZINC000554198618 1074391594 /nfs/dbraw/zinc/39/15/94/1074391594.db2.gz ASALAPWCPAKTMK-DLBZAZTESA-N 2 0 383.537 -1.099 20 0 GAADRP C[C@@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCN(CCO)CC2)C[C@H]1[NH+](C)C ZINC000554198619 1074390900 /nfs/dbraw/zinc/39/09/00/1074390900.db2.gz ASALAPWCPAKTMK-IAGOWNOFSA-N 2 0 383.537 -1.099 20 0 GAADRP C[C@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCN(CCO)CC2)C[C@@H]1[NH+](C)C ZINC000554198620 1074391069 /nfs/dbraw/zinc/39/10/69/1074391069.db2.gz ASALAPWCPAKTMK-IRXDYDNUSA-N 2 0 383.537 -1.099 20 0 GAADRP C[C@@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCN(CCO)CC2)C[C@@H]1[NH+](C)C ZINC000554198621 1074391006 /nfs/dbraw/zinc/39/10/06/1074391006.db2.gz ASALAPWCPAKTMK-SJORKVTESA-N 2 0 383.537 -1.099 20 0 GAADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000554344696 1074394666 /nfs/dbraw/zinc/39/46/66/1074394666.db2.gz WQODALAGEVJKBM-KRWDZBQOSA-N 2 0 381.521 -1.081 20 0 GAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000554344697 1074394725 /nfs/dbraw/zinc/39/47/25/1074394725.db2.gz WQODALAGEVJKBM-QGZVFWFLSA-N 2 0 381.521 -1.081 20 0 GAADRP CN1CCN(C(=O)CCNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000556097763 1074657529 /nfs/dbraw/zinc/65/75/29/1074657529.db2.gz FNBRLYDHGYPYRE-UHFFFAOYSA-N 2 0 384.525 -1.782 20 0 GAADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000557302434 1075693521 /nfs/dbraw/zinc/69/35/21/1075693521.db2.gz DDGSJZUOVGKUAE-HNNXBMFYSA-N 2 0 383.493 -1.554 20 0 GAADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000557302435 1075693559 /nfs/dbraw/zinc/69/35/59/1075693559.db2.gz DDGSJZUOVGKUAE-OAHLLOKOSA-N 2 0 383.493 -1.554 20 0 GAADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000557410153 1075694350 /nfs/dbraw/zinc/69/43/50/1075694350.db2.gz DTFALVYKTWLXMH-CVEARBPZSA-N 2 0 396.536 -1.593 20 0 GAADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000557410154 1075694281 /nfs/dbraw/zinc/69/42/81/1075694281.db2.gz DTFALVYKTWLXMH-HOTGVXAUSA-N 2 0 396.536 -1.593 20 0 GAADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000557410155 1075694380 /nfs/dbraw/zinc/69/43/80/1075694380.db2.gz DTFALVYKTWLXMH-HZPDHXFCSA-N 2 0 396.536 -1.593 20 0 GAADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000557410156 1075694188 /nfs/dbraw/zinc/69/41/88/1075694188.db2.gz DTFALVYKTWLXMH-JKSUJKDBSA-N 2 0 396.536 -1.593 20 0 GAADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000557768037 1075695924 /nfs/dbraw/zinc/69/59/24/1075695924.db2.gz SHPUIHSPWXKUKH-CVEARBPZSA-N 2 0 395.504 -1.412 20 0 GAADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000557768044 1075696317 /nfs/dbraw/zinc/69/63/17/1075696317.db2.gz SHPUIHSPWXKUKH-HOTGVXAUSA-N 2 0 395.504 -1.412 20 0 GAADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000557768046 1075696218 /nfs/dbraw/zinc/69/62/18/1075696218.db2.gz SHPUIHSPWXKUKH-HZPDHXFCSA-N 2 0 395.504 -1.412 20 0 GAADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000557768048 1075696348 /nfs/dbraw/zinc/69/63/48/1075696348.db2.gz SHPUIHSPWXKUKH-JKSUJKDBSA-N 2 0 395.504 -1.412 20 0 GAADRP COCC(=O)N1CCC(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000560251188 1075706254 /nfs/dbraw/zinc/70/62/54/1075706254.db2.gz JTWJTEQPAAZQCS-UHFFFAOYSA-N 2 0 385.509 -1.308 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000560637466 1074584765 /nfs/dbraw/zinc/58/47/65/1074584765.db2.gz FTBICQQJGXSNPH-UHFFFAOYSA-N 2 0 398.537 -1.279 20 0 GAADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000560940118 1075709886 /nfs/dbraw/zinc/70/98/86/1075709886.db2.gz OPXCBXUSXBTPKQ-UHFFFAOYSA-N 2 0 383.493 -1.553 20 0 GAADRP CN1CCN(C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)[C@@H](C[NH3+])C1 ZINC000561227597 1075711578 /nfs/dbraw/zinc/71/15/78/1075711578.db2.gz LZDIFOSSKZGJQG-HNNXBMFYSA-N 2 0 378.477 -1.261 20 0 GAADRP CN1CCN(C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)[C@H](C[NH3+])C1 ZINC000561227598 1075711742 /nfs/dbraw/zinc/71/17/42/1075711742.db2.gz LZDIFOSSKZGJQG-OAHLLOKOSA-N 2 0 378.477 -1.261 20 0 GAADRP O=C(NCCCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)[C@H]1C[NH+]2CCN1CCC2 ZINC000561284673 1075711761 /nfs/dbraw/zinc/71/17/61/1075711761.db2.gz HZLSNYRSXHSMEO-CALCHBBNSA-N 2 0 378.521 -1.611 20 0 GAADRP O=C(NCCCNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)[C@H]1C[NH+]2CCN1CCC2 ZINC000561284701 1075711793 /nfs/dbraw/zinc/71/17/93/1075711793.db2.gz HZLSNYRSXHSMEO-IAGOWNOFSA-N 2 0 378.521 -1.611 20 0 GAADRP CN(C)C(=O)CN1CCC(NC(=O)C(=O)NCCN2CCSCC2)CC1 ZINC000561757819 1075713674 /nfs/dbraw/zinc/71/36/74/1075713674.db2.gz KIAMDOFGPFYNQJ-UHFFFAOYSA-N 2 0 385.534 -1.180 20 0 GAADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1(C)C ZINC000563453467 1075722558 /nfs/dbraw/zinc/72/25/58/1075722558.db2.gz CHJZZPMOURNZCB-KBPBESRZSA-N 2 0 380.493 -2.101 20 0 GAADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1(C)C ZINC000563453476 1075722463 /nfs/dbraw/zinc/72/24/63/1075722463.db2.gz CHJZZPMOURNZCB-KGLIPLIRSA-N 2 0 380.493 -2.101 20 0 GAADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1(C)C ZINC000563453477 1075722512 /nfs/dbraw/zinc/72/25/12/1075722512.db2.gz CHJZZPMOURNZCB-UONOGXRCSA-N 2 0 380.493 -2.101 20 0 GAADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1(C)C ZINC000563453479 1075722583 /nfs/dbraw/zinc/72/25/83/1075722583.db2.gz CHJZZPMOURNZCB-ZIAGYGMSSA-N 2 0 380.493 -2.101 20 0 GAADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000563455184 1075722491 /nfs/dbraw/zinc/72/24/91/1075722491.db2.gz UGDJELAPFLLXBW-KFWWJZLASA-N 2 0 381.477 -1.770 20 0 GAADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000563455185 1075722432 /nfs/dbraw/zinc/72/24/32/1075722432.db2.gz UGDJELAPFLLXBW-RBSFLKMASA-N 2 0 381.477 -1.770 20 0 GAADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000563455186 1075722526 /nfs/dbraw/zinc/72/25/26/1075722526.db2.gz UGDJELAPFLLXBW-RRFJBIMHSA-N 2 0 381.477 -1.770 20 0 GAADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000563455187 1075722536 /nfs/dbraw/zinc/72/25/36/1075722536.db2.gz UGDJELAPFLLXBW-ZNMIVQPWSA-N 2 0 381.477 -1.770 20 0 GAADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000563456296 1075722872 /nfs/dbraw/zinc/72/28/72/1075722872.db2.gz CNAXNAJSSCYOMK-BZUAXINKSA-N 2 0 394.520 -1.853 20 0 GAADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000563456299 1075722901 /nfs/dbraw/zinc/72/29/01/1075722901.db2.gz CNAXNAJSSCYOMK-OAGGEKHMSA-N 2 0 394.520 -1.853 20 0 GAADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000563456300 1075722822 /nfs/dbraw/zinc/72/28/22/1075722822.db2.gz CNAXNAJSSCYOMK-OWCLPIDISA-N 2 0 394.520 -1.853 20 0 GAADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000563456301 1075722890 /nfs/dbraw/zinc/72/28/90/1075722890.db2.gz CNAXNAJSSCYOMK-PMPSAXMXSA-N 2 0 394.520 -1.853 20 0 GAADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000563612216 1075723145 /nfs/dbraw/zinc/72/31/45/1075723145.db2.gz ITJGEFOKTPKXTI-INIZCTEOSA-N 2 0 375.473 -1.177 20 0 GAADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000563612218 1075723096 /nfs/dbraw/zinc/72/30/96/1075723096.db2.gz ITJGEFOKTPKXTI-MRXNPFEDSA-N 2 0 375.473 -1.177 20 0 GAADRP CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000563870389 1075724799 /nfs/dbraw/zinc/72/47/99/1075724799.db2.gz ZLJRQJMFIKSAOW-AWEZNQCLSA-N 2 0 391.538 -1.522 20 0 GAADRP CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000563870390 1075724714 /nfs/dbraw/zinc/72/47/14/1075724714.db2.gz ZLJRQJMFIKSAOW-CQSZACIVSA-N 2 0 391.538 -1.522 20 0 GAADRP CCNC(=O)CN1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000564711289 1073616281 /nfs/dbraw/zinc/61/62/81/1073616281.db2.gz UHMAQIZKEVWFJM-UHFFFAOYSA-N 2 0 384.525 -1.782 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000564825109 1073532855 /nfs/dbraw/zinc/53/28/55/1073532855.db2.gz BPWCINJFWNLYLR-HNNXBMFYSA-N 3 0 384.525 -1.748 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000564825124 1075728227 /nfs/dbraw/zinc/72/82/27/1075728227.db2.gz BPWCINJFWNLYLR-OAHLLOKOSA-N 3 0 384.525 -1.748 20 0 GAADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CCCO1 ZINC000565902448 1075732313 /nfs/dbraw/zinc/73/23/13/1075732313.db2.gz UNNPUSAONRNKGG-ILXRZTDVSA-N 2 0 381.477 -1.626 20 0 GAADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CCCO1 ZINC000565902449 1075732338 /nfs/dbraw/zinc/73/23/38/1075732338.db2.gz UNNPUSAONRNKGG-KFWWJZLASA-N 2 0 381.477 -1.626 20 0 GAADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CCCO1 ZINC000565902450 1075732648 /nfs/dbraw/zinc/73/26/48/1075732648.db2.gz UNNPUSAONRNKGG-QLFBSQMISA-N 2 0 381.477 -1.626 20 0 GAADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CCCO1 ZINC000565902451 1075732708 /nfs/dbraw/zinc/73/27/08/1075732708.db2.gz UNNPUSAONRNKGG-RBSFLKMASA-N 2 0 381.477 -1.626 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000566090493 1075733012 /nfs/dbraw/zinc/73/30/12/1075733012.db2.gz HHTCAJUTUAKGJH-INIZCTEOSA-N 2 0 396.536 -1.639 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000566090494 1075732977 /nfs/dbraw/zinc/73/29/77/1075732977.db2.gz HHTCAJUTUAKGJH-MRXNPFEDSA-N 2 0 396.536 -1.639 20 0 GAADRP C[NH+](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 1075733804 /nfs/dbraw/zinc/73/38/04/1075733804.db2.gz DABVVMDIGVLACB-QAETUUGQSA-N 2 0 391.472 -1.425 20 0 GAADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000566697018 1075734977 /nfs/dbraw/zinc/73/49/77/1075734977.db2.gz ZUDYSTPDDUCMSW-INIZCTEOSA-N 2 0 395.504 -1.410 20 0 GAADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000566697020 1074373765 /nfs/dbraw/zinc/37/37/65/1074373765.db2.gz ZUDYSTPDDUCMSW-MRXNPFEDSA-N 2 0 395.504 -1.410 20 0 GAADRP CN(C)C(=O)CCN1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000566842075 1075735207 /nfs/dbraw/zinc/73/52/07/1075735207.db2.gz QBHXXUVONLTFMC-UHFFFAOYSA-N 2 0 398.552 -1.439 20 0 GAADRP Cn1cc(N2CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC2=O)cn1 ZINC000566959741 1075735935 /nfs/dbraw/zinc/73/59/35/1075735935.db2.gz MBHOJGHKBBPAAB-UHFFFAOYSA-N 2 0 393.492 -1.453 20 0 GAADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCC(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000567032296 1075736582 /nfs/dbraw/zinc/73/65/82/1075736582.db2.gz VSDUCIMDWZLQOV-UHFFFAOYSA-N 2 0 390.444 -1.713 20 0 GAADRP Cn1cnc2c1c(=O)n(CCC[N@@H+]1CC[C@H](N3CC[NH2+]CC3)C1)c(=O)n2C ZINC000567990614 1075739712 /nfs/dbraw/zinc/73/97/12/1075739712.db2.gz OALNPVCZVBTLND-AWEZNQCLSA-N 2 0 375.477 -1.197 20 0 GAADRP Cn1cnc2c1c(=O)n(CCC[N@@H+]1CC[C@@H](N3CC[NH2+]CC3)C1)c(=O)n2C ZINC000567990615 1075739733 /nfs/dbraw/zinc/73/97/33/1075739733.db2.gz OALNPVCZVBTLND-CQSZACIVSA-N 2 0 375.477 -1.197 20 0 GAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000568061144 1075740053 /nfs/dbraw/zinc/74/00/53/1075740053.db2.gz BENFMCLCHFNWIK-UHFFFAOYSA-N 2 0 396.492 -2.453 20 0 GAADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)Cc2ccccc2C1 ZINC000568292836 1075740916 /nfs/dbraw/zinc/74/09/16/1075740916.db2.gz XGSZSNLAYHKHJC-DLBZAZTESA-N 2 0 399.495 -1.028 20 0 GAADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)Cc2ccccc2C1 ZINC000568292837 1075740967 /nfs/dbraw/zinc/74/09/67/1075740967.db2.gz XGSZSNLAYHKHJC-IAGOWNOFSA-N 2 0 399.495 -1.028 20 0 GAADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)Cc2ccccc2C1 ZINC000568292838 1075740954 /nfs/dbraw/zinc/74/09/54/1075740954.db2.gz XGSZSNLAYHKHJC-IRXDYDNUSA-N 2 0 399.495 -1.028 20 0 GAADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)Cc2ccccc2C1 ZINC000568292839 1075740924 /nfs/dbraw/zinc/74/09/24/1075740924.db2.gz XGSZSNLAYHKHJC-SJORKVTESA-N 2 0 399.495 -1.028 20 0 GAADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)CCN2C1=O ZINC000568534826 1075741518 /nfs/dbraw/zinc/74/15/18/1075741518.db2.gz FCTCWSNKZCWNFF-CABCVRRESA-N 2 0 393.488 -1.482 20 0 GAADRP [NH3+][C@H]1C[C@H]2CN(C(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)CCN2C1=O ZINC000568534827 1075741496 /nfs/dbraw/zinc/74/14/96/1075741496.db2.gz FCTCWSNKZCWNFF-GJZGRUSLSA-N 2 0 393.488 -1.482 20 0 GAADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)CCN2C1=O ZINC000568534828 1075741557 /nfs/dbraw/zinc/74/15/57/1075741557.db2.gz FCTCWSNKZCWNFF-HUUCEWRRSA-N 2 0 393.488 -1.482 20 0 GAADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)CCN2C1=O ZINC000568534829 1075741537 /nfs/dbraw/zinc/74/15/37/1075741537.db2.gz FCTCWSNKZCWNFF-LSDHHAIUSA-N 2 0 393.488 -1.482 20 0 GAADRP C[NH+](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 1075742121 /nfs/dbraw/zinc/74/21/21/1075742121.db2.gz SBNJNIDAVQBNGV-QAETUUGQSA-N 2 0 391.472 -1.425 20 0 GAADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000568857282 1075742486 /nfs/dbraw/zinc/74/24/86/1075742486.db2.gz UPFMTUJSUXKCJT-GFCCVEGCSA-N 2 0 385.490 -2.215 20 0 GAADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000568857283 1075742466 /nfs/dbraw/zinc/74/24/66/1075742466.db2.gz UPFMTUJSUXKCJT-LBPRGKRZSA-N 2 0 385.490 -2.215 20 0 GAADRP CN1CCN(C(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)[C@H](C[NH3+])C1 ZINC000568988835 1075742747 /nfs/dbraw/zinc/74/27/47/1075742747.db2.gz QXYSTYADDDMZSJ-UJJTZGENSA-N 2 0 392.548 -1.143 20 0 GAADRP CN1CCN(C(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)[C@@H](C[NH3+])C1 ZINC000568988836 1075742727 /nfs/dbraw/zinc/74/27/27/1075742727.db2.gz QXYSTYADDDMZSJ-WFFDWFOESA-N 2 0 392.548 -1.143 20 0 GAADRP CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000569685331 1075744836 /nfs/dbraw/zinc/74/48/36/1075744836.db2.gz MPUWZJVDLHZPNV-AWEZNQCLSA-N 2 0 391.538 -1.522 20 0 GAADRP CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000569685332 1075744662 /nfs/dbraw/zinc/74/46/62/1075744662.db2.gz MPUWZJVDLHZPNV-CQSZACIVSA-N 2 0 391.538 -1.522 20 0 GAADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)cn1 ZINC000570512724 1075746760 /nfs/dbraw/zinc/74/67/60/1075746760.db2.gz OEJKUXOXJYFTLT-AWEZNQCLSA-N 2 0 379.465 -1.242 20 0 GAADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)cn1 ZINC000570512725 1075746831 /nfs/dbraw/zinc/74/68/31/1075746831.db2.gz OEJKUXOXJYFTLT-CQSZACIVSA-N 2 0 379.465 -1.242 20 0 GAADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)CC1 ZINC000570711509 530081156 /nfs/dbraw/zinc/08/11/56/530081156.db2.gz VZGVRNUCMANDBB-CVEARBPZSA-N 2 0 378.539 -1.327 20 0 GAADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)CC1 ZINC000570711516 530081200 /nfs/dbraw/zinc/08/12/00/530081200.db2.gz VZGVRNUCMANDBB-HOTGVXAUSA-N 2 0 378.539 -1.327 20 0 GAADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)CC1 ZINC000570711517 530081220 /nfs/dbraw/zinc/08/12/20/530081220.db2.gz VZGVRNUCMANDBB-HZPDHXFCSA-N 2 0 378.539 -1.327 20 0 GAADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)CC1 ZINC000570711520 530081187 /nfs/dbraw/zinc/08/11/87/530081187.db2.gz VZGVRNUCMANDBB-JKSUJKDBSA-N 2 0 378.539 -1.327 20 0 GAADRP C[C@H](CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)CNC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000571435291 1073993230 /nfs/dbraw/zinc/99/32/30/1073993230.db2.gz CLPWXCRFIIAZRL-NNZMDNLPSA-N 2 0 392.548 -1.365 20 0 GAADRP CC(CNC(=O)[C@H]1C[NH+]2CCN1CCC2)CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000571435299 1073993510 /nfs/dbraw/zinc/99/35/10/1073993510.db2.gz CLPWXCRFIIAZRL-QZTJIDSGSA-N 2 0 392.548 -1.365 20 0 GAADRP CC(CNC(=O)[C@@H]1C[NH+]2CCN1CCC2)CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000571435301 1073993166 /nfs/dbraw/zinc/99/31/66/1073993166.db2.gz CLPWXCRFIIAZRL-ROUUACIJSA-N 2 0 392.548 -1.365 20 0 GAADRP CN1CCN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)[C@H](C[NH3+])C1 ZINC000572227868 1074512118 /nfs/dbraw/zinc/51/21/18/1074512118.db2.gz DFTNLKXICAURTG-MSOLQXFVSA-N 2 0 389.500 -1.029 20 0 GAADRP CN1CCN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)[C@H](C[NH3+])C1 ZINC000572227869 1074511934 /nfs/dbraw/zinc/51/19/34/1074511934.db2.gz DFTNLKXICAURTG-QZTJIDSGSA-N 2 0 389.500 -1.029 20 0 GAADRP CN1CCN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)[C@@H](C[NH3+])C1 ZINC000572227870 1075750121 /nfs/dbraw/zinc/75/01/21/1075750121.db2.gz DFTNLKXICAURTG-ROUUACIJSA-N 2 0 389.500 -1.029 20 0 GAADRP CN1CCN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)[C@@H](C[NH3+])C1 ZINC000572227871 1075750139 /nfs/dbraw/zinc/75/01/39/1075750139.db2.gz DFTNLKXICAURTG-ZWKOTPCHSA-N 2 0 389.500 -1.029 20 0 GAADRP C[NH+](C)C1(CNC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)Cc2ccccc2C1 ZINC000572264991 1074511989 /nfs/dbraw/zinc/51/19/89/1074511989.db2.gz RCORBJBXWDTWNE-UHFFFAOYSA-N 2 0 387.484 -1.250 20 0 GAADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000572510693 1075750707 /nfs/dbraw/zinc/75/07/07/1075750707.db2.gz OGYYVMXCSSDDLO-AWEZNQCLSA-N 2 0 376.461 -1.160 20 0 GAADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000572510696 1075750701 /nfs/dbraw/zinc/75/07/01/1075750701.db2.gz OGYYVMXCSSDDLO-CQSZACIVSA-N 2 0 376.461 -1.160 20 0 GAADRP CC(C)NC(=O)CN1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000572842804 1075750924 /nfs/dbraw/zinc/75/09/24/1075750924.db2.gz BEAZNEKMXISCHJ-UHFFFAOYSA-N 2 0 398.552 -1.393 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000573687177 1075752238 /nfs/dbraw/zinc/75/22/38/1075752238.db2.gz KGEBIKUCWNUXJN-UHFFFAOYSA-N 2 0 384.525 -1.654 20 0 GAADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000573747160 1075752558 /nfs/dbraw/zinc/75/25/58/1075752558.db2.gz CLKFTIZTMMIIRT-UHFFFAOYSA-N 2 0 397.520 -1.163 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000574366447 1075753500 /nfs/dbraw/zinc/75/35/00/1075753500.db2.gz SFENHMFALUOEDV-CQSZACIVSA-N 2 0 391.538 -1.522 20 0 GAADRP C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C[C@H](C)O1 ZINC000575160295 1075754634 /nfs/dbraw/zinc/75/46/34/1075754634.db2.gz MZNQTHMFYQZGJY-OKILXGFUSA-N 2 0 383.493 -1.462 20 0 GAADRP C[NH+](C)[C@H]1CN(C(=O)Cc2occc2C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C[C@@H]1O ZINC000575194512 1074545542 /nfs/dbraw/zinc/54/55/42/1074545542.db2.gz JMGJNGUWMZOMDH-VGWMRTNUSA-N 2 0 394.472 -1.298 20 0 GAADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NC[C@@H](N3CC[NH2+]CC3)C(F)(F)F)CCN2C1=O ZINC000575332070 1075755077 /nfs/dbraw/zinc/75/50/77/1075755077.db2.gz NMSKITWZBOVVPM-IJLUTSLNSA-N 2 0 378.399 -1.224 20 0 GAADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NC[C@@H](N3CC[NH2+]CC3)C(F)(F)F)CCN2C1=O ZINC000575332071 1075755097 /nfs/dbraw/zinc/75/50/97/1075755097.db2.gz NMSKITWZBOVVPM-QJPTWQEYSA-N 2 0 378.399 -1.224 20 0 GAADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NC[C@H](N3CC[NH2+]CC3)C(F)(F)F)CCN2C1=O ZINC000575332072 1075755036 /nfs/dbraw/zinc/75/50/36/1075755036.db2.gz NMSKITWZBOVVPM-TUAOUCFPSA-N 2 0 378.399 -1.224 20 0 GAADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NC[C@H](N3CC[NH2+]CC3)C(F)(F)F)CCN2C1=O ZINC000575332073 1075755065 /nfs/dbraw/zinc/75/50/65/1075755065.db2.gz NMSKITWZBOVVPM-UTUOFQBUSA-N 2 0 378.399 -1.224 20 0 GAADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000575860084 1075755586 /nfs/dbraw/zinc/75/55/86/1075755586.db2.gz JLWAEVYRUCBDKZ-IBGZPJMESA-N 2 0 377.489 -1.035 20 0 GAADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000575860085 1075755565 /nfs/dbraw/zinc/75/55/65/1075755565.db2.gz JLWAEVYRUCBDKZ-LJQANCHMSA-N 2 0 377.489 -1.035 20 0 GAADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000576296890 1075756944 /nfs/dbraw/zinc/75/69/44/1075756944.db2.gz FUXUPENGTCNFND-INIZCTEOSA-N 2 0 397.520 -1.164 20 0 GAADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000576296891 1075757240 /nfs/dbraw/zinc/75/72/40/1075757240.db2.gz FUXUPENGTCNFND-MRXNPFEDSA-N 2 0 397.520 -1.164 20 0 GAADRP C[NH+](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 1075758710 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2 0 375.495 -1.664 20 0 GAADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000577667404 1075762491 /nfs/dbraw/zinc/76/24/91/1075762491.db2.gz OGNHJGYEWYBCTA-KRWDZBQOSA-N 2 0 381.521 -1.081 20 0 GAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000577667405 1075762382 /nfs/dbraw/zinc/76/23/82/1075762382.db2.gz OGNHJGYEWYBCTA-QGZVFWFLSA-N 2 0 381.521 -1.081 20 0 GAADRP C[NH+](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 1075762787 /nfs/dbraw/zinc/76/27/87/1075762787.db2.gz QSNWQHVOOTZYQF-QAETUUGQSA-N 2 0 391.472 -1.425 20 0 GAADRP O=C(NC1CC[NH+](C2CC2)CC1)C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000578227125 1075764711 /nfs/dbraw/zinc/76/47/11/1075764711.db2.gz XDBSLUPQRQZXDV-UHFFFAOYSA-N 2 0 399.517 -1.825 20 0 GAADRP CC(C)[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)N1CCOCC1 ZINC000578248567 1075764764 /nfs/dbraw/zinc/76/47/64/1075764764.db2.gz LDSYVTZQOOZRNT-ILXRZTDVSA-N 2 0 381.477 -1.770 20 0 GAADRP CC(C)[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)N1CCOCC1 ZINC000578248568 1075764808 /nfs/dbraw/zinc/76/48/08/1075764808.db2.gz LDSYVTZQOOZRNT-KFWWJZLASA-N 2 0 381.477 -1.770 20 0 GAADRP CC(C)[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)N1CCOCC1 ZINC000578248569 1075764723 /nfs/dbraw/zinc/76/47/23/1075764723.db2.gz LDSYVTZQOOZRNT-KKUMJFAQSA-N 2 0 381.477 -1.770 20 0 GAADRP CC(C)[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)N1CCOCC1 ZINC000578248570 1075764669 /nfs/dbraw/zinc/76/46/69/1075764669.db2.gz LDSYVTZQOOZRNT-ZNMIVQPWSA-N 2 0 381.477 -1.770 20 0 GAADRP Cn1cc(N2CC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C2=O)cn1 ZINC000578390783 1075765274 /nfs/dbraw/zinc/76/52/74/1075765274.db2.gz WPYOMVDZOXRDBH-HNNXBMFYSA-N 2 0 393.492 -1.407 20 0 GAADRP Cn1cc(N2CC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C2=O)cn1 ZINC000578390784 1075765302 /nfs/dbraw/zinc/76/53/02/1075765302.db2.gz WPYOMVDZOXRDBH-OAHLLOKOSA-N 2 0 393.492 -1.407 20 0 GAADRP CC(C)[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)N1CC[NH+](C)CC1 ZINC000579025496 1075767578 /nfs/dbraw/zinc/76/75/78/1075767578.db2.gz FGVMWTQOEMLSTE-JYJNAYRXSA-N 2 0 394.520 -1.855 20 0 GAADRP CC(C)[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)N1CC[NH+](C)CC1 ZINC000579025497 1075767489 /nfs/dbraw/zinc/76/74/89/1075767489.db2.gz FGVMWTQOEMLSTE-OAGGEKHMSA-N 2 0 394.520 -1.855 20 0 GAADRP CC(C)[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)N1CC[NH+](C)CC1 ZINC000579025498 1075767469 /nfs/dbraw/zinc/76/74/69/1075767469.db2.gz FGVMWTQOEMLSTE-PMPSAXMXSA-N 2 0 394.520 -1.855 20 0 GAADRP CC(C)[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)N1CC[NH+](C)CC1 ZINC000579025499 1075767379 /nfs/dbraw/zinc/76/73/79/1075767379.db2.gz FGVMWTQOEMLSTE-XHSDSOJGSA-N 2 0 394.520 -1.855 20 0 GAADRP CN1CCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)[C@H](C[NH3+])C1 ZINC000579099843 1075767807 /nfs/dbraw/zinc/76/78/07/1075767807.db2.gz BHKDWVDOCUNYKH-CABCVRRESA-N 2 0 380.493 -2.147 20 0 GAADRP CN1CCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)[C@@H](C[NH3+])C1 ZINC000579099844 1075767746 /nfs/dbraw/zinc/76/77/46/1075767746.db2.gz BHKDWVDOCUNYKH-GJZGRUSLSA-N 2 0 380.493 -2.147 20 0 GAADRP CN1CCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)[C@H](C[NH3+])C1 ZINC000579099845 1075767819 /nfs/dbraw/zinc/76/78/19/1075767819.db2.gz BHKDWVDOCUNYKH-HUUCEWRRSA-N 2 0 380.493 -2.147 20 0 GAADRP CN1CCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)[C@@H](C[NH3+])C1 ZINC000579099846 1075767723 /nfs/dbraw/zinc/76/77/23/1075767723.db2.gz BHKDWVDOCUNYKH-LSDHHAIUSA-N 2 0 380.493 -2.147 20 0 GAADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000579130439 1075767781 /nfs/dbraw/zinc/76/77/81/1075767781.db2.gz QFQACOGVULGJCL-DZGCQCFKSA-N 2 0 395.504 -1.238 20 0 GAADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000579130440 1075767762 /nfs/dbraw/zinc/76/77/62/1075767762.db2.gz QFQACOGVULGJCL-HIFRSBDPSA-N 2 0 395.504 -1.238 20 0 GAADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000579130441 1075767734 /nfs/dbraw/zinc/76/77/34/1075767734.db2.gz QFQACOGVULGJCL-UKRRQHHQSA-N 2 0 395.504 -1.238 20 0 GAADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000579130442 1075767716 /nfs/dbraw/zinc/76/77/16/1075767716.db2.gz QFQACOGVULGJCL-ZFWWWQNUSA-N 2 0 395.504 -1.238 20 0 GAADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000579755249 1073400985 /nfs/dbraw/zinc/40/09/85/1073400985.db2.gz KQYGGDONXDSLJW-HNNXBMFYSA-N 2 0 383.493 -1.554 20 0 GAADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000579755253 1073401067 /nfs/dbraw/zinc/40/10/67/1073401067.db2.gz KQYGGDONXDSLJW-OAHLLOKOSA-N 2 0 383.493 -1.554 20 0 GAADRP CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000579949060 530167285 /nfs/dbraw/zinc/16/72/85/530167285.db2.gz QCNQLEWAHKLOKU-CVEARBPZSA-N 2 0 377.555 -1.155 20 0 GAADRP CN(C)S(=O)(=O)N1CCCC[C@H]1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000579949061 530167188 /nfs/dbraw/zinc/16/71/88/530167188.db2.gz QCNQLEWAHKLOKU-HOTGVXAUSA-N 2 0 377.555 -1.155 20 0 GAADRP CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000579949062 530167168 /nfs/dbraw/zinc/16/71/68/530167168.db2.gz QCNQLEWAHKLOKU-HZPDHXFCSA-N 2 0 377.555 -1.155 20 0 GAADRP CN(C)S(=O)(=O)N1CCCC[C@H]1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000579949063 530167463 /nfs/dbraw/zinc/16/74/63/530167463.db2.gz QCNQLEWAHKLOKU-JKSUJKDBSA-N 2 0 377.555 -1.155 20 0 GAADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000579963484 1073464734 /nfs/dbraw/zinc/46/47/34/1073464734.db2.gz PPEBKENYGZILTD-INIZCTEOSA-N 2 0 394.520 -1.885 20 0 GAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000579963485 1073464552 /nfs/dbraw/zinc/46/45/52/1073464552.db2.gz PPEBKENYGZILTD-MRXNPFEDSA-N 2 0 394.520 -1.885 20 0 GAADRP COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC2 ZINC000580243126 1073529435 /nfs/dbraw/zinc/52/94/35/1073529435.db2.gz HEMSBODEYQCNEK-AWEZNQCLSA-N 2 0 395.508 -1.193 20 0 GAADRP COCc1nc2n(n1)C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC2 ZINC000580243127 1073529391 /nfs/dbraw/zinc/52/93/91/1073529391.db2.gz HEMSBODEYQCNEK-CQSZACIVSA-N 2 0 395.508 -1.193 20 0 GAADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@H]2[NH3+])cn1 ZINC000580435048 1073533373 /nfs/dbraw/zinc/53/33/73/1073533373.db2.gz LXJOTPJYWLIVEB-JKSUJKDBSA-N 3 0 379.509 -1.375 20 0 GAADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000580451774 1073533978 /nfs/dbraw/zinc/53/39/78/1073533978.db2.gz LFAXPFYFIXHRRW-KBPBESRZSA-N 2 0 384.506 -1.006 20 0 GAADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000580451775 1073534187 /nfs/dbraw/zinc/53/41/87/1073534187.db2.gz LFAXPFYFIXHRRW-KGLIPLIRSA-N 2 0 384.506 -1.006 20 0 GAADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000580451776 1073534075 /nfs/dbraw/zinc/53/40/75/1073534075.db2.gz LFAXPFYFIXHRRW-UONOGXRCSA-N 2 0 384.506 -1.006 20 0 GAADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000580451777 1073533862 /nfs/dbraw/zinc/53/38/62/1073533862.db2.gz LFAXPFYFIXHRRW-ZIAGYGMSSA-N 2 0 384.506 -1.006 20 0 GAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000580887322 1073544258 /nfs/dbraw/zinc/54/42/58/1073544258.db2.gz NCDWTHOXIUEFLD-HNNXBMFYSA-N 2 0 382.509 -1.900 20 0 GAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000580887323 1073544212 /nfs/dbraw/zinc/54/42/12/1073544212.db2.gz NCDWTHOXIUEFLD-OAHLLOKOSA-N 2 0 382.509 -1.900 20 0 GAADRP CNC(=O)CN1CCC(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000581146394 1073549939 /nfs/dbraw/zinc/54/99/39/1073549939.db2.gz SGZXQHJOTPHQQE-UHFFFAOYSA-N 2 0 384.525 -1.735 20 0 GAADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)C[C@@H]12 ZINC000581185048 1073550614 /nfs/dbraw/zinc/55/06/14/1073550614.db2.gz IFYBDGIBZQLVKP-ARFHVFGLSA-N 2 0 377.489 -1.051 20 0 GAADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)C[C@@H]12 ZINC000581185049 1073550560 /nfs/dbraw/zinc/55/05/60/1073550560.db2.gz IFYBDGIBZQLVKP-BZUAXINKSA-N 2 0 377.489 -1.051 20 0 GAADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)C[C@H]12 ZINC000581185050 1073550656 /nfs/dbraw/zinc/55/06/56/1073550656.db2.gz IFYBDGIBZQLVKP-HRCADAONSA-N 2 0 377.489 -1.051 20 0 GAADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)C[C@H]12 ZINC000581185051 1073550742 /nfs/dbraw/zinc/55/07/42/1073550742.db2.gz IFYBDGIBZQLVKP-OWCLPIDISA-N 2 0 377.489 -1.051 20 0 GAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000581601971 1073561322 /nfs/dbraw/zinc/56/13/22/1073561322.db2.gz IGMXMLCOJXYVDB-BEFAXECRSA-N 2 0 377.489 -1.037 20 0 GAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000581601972 1073561465 /nfs/dbraw/zinc/56/14/65/1073561465.db2.gz IGMXMLCOJXYVDB-DNVCBOLYSA-N 2 0 377.489 -1.037 20 0 GAADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000581601973 1073561601 /nfs/dbraw/zinc/56/16/01/1073561601.db2.gz IGMXMLCOJXYVDB-HNAYVOBHSA-N 2 0 377.489 -1.037 20 0 GAADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000581601974 1073561435 /nfs/dbraw/zinc/56/14/35/1073561435.db2.gz IGMXMLCOJXYVDB-KXBFYZLASA-N 2 0 377.489 -1.037 20 0 GAADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000582437457 1073595230 /nfs/dbraw/zinc/59/52/30/1073595230.db2.gz OUTATAMZYINIMG-CVEARBPZSA-N 2 0 397.520 -1.118 20 0 GAADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000582437458 1073594972 /nfs/dbraw/zinc/59/49/72/1073594972.db2.gz OUTATAMZYINIMG-HOTGVXAUSA-N 2 0 397.520 -1.118 20 0 GAADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000582437459 1073595013 /nfs/dbraw/zinc/59/50/13/1073595013.db2.gz OUTATAMZYINIMG-HZPDHXFCSA-N 2 0 397.520 -1.118 20 0 GAADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000582437460 1073594774 /nfs/dbraw/zinc/59/47/74/1073594774.db2.gz OUTATAMZYINIMG-JKSUJKDBSA-N 2 0 397.520 -1.118 20 0 GAADRP C[NH+](C)[C@H](CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)Cc1ccccc1 ZINC000582895127 1073606759 /nfs/dbraw/zinc/60/67/59/1073606759.db2.gz LQNKIOQXKQAFEF-INIZCTEOSA-N 2 0 375.473 -1.177 20 0 GAADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)Cc1ccccc1 ZINC000582895128 1073606989 /nfs/dbraw/zinc/60/69/89/1073606989.db2.gz LQNKIOQXKQAFEF-MRXNPFEDSA-N 2 0 375.473 -1.177 20 0 GAADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000582895266 1073606810 /nfs/dbraw/zinc/60/68/10/1073606810.db2.gz DZYJCSBADWRTNG-CABCVRRESA-N 2 0 382.509 -1.853 20 0 GAADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000582895270 1073606873 /nfs/dbraw/zinc/60/68/73/1073606873.db2.gz DZYJCSBADWRTNG-GJZGRUSLSA-N 2 0 382.509 -1.853 20 0 GAADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000582895271 1073606971 /nfs/dbraw/zinc/60/69/71/1073606971.db2.gz DZYJCSBADWRTNG-HUUCEWRRSA-N 2 0 382.509 -1.853 20 0 GAADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000582895272 1073606711 /nfs/dbraw/zinc/60/67/11/1073606711.db2.gz DZYJCSBADWRTNG-LSDHHAIUSA-N 2 0 382.509 -1.853 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000583308307 530107731 /nfs/dbraw/zinc/10/77/31/530107731.db2.gz CJNCCQBNEWVFCH-UHFFFAOYSA-N 2 0 377.511 -1.958 20 0 GAADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000583434915 1073618607 /nfs/dbraw/zinc/61/86/07/1073618607.db2.gz PUVDDCAUVKDWDW-CVEARBPZSA-N 2 0 377.489 -1.179 20 0 GAADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000583434916 1073618652 /nfs/dbraw/zinc/61/86/52/1073618652.db2.gz PUVDDCAUVKDWDW-HOTGVXAUSA-N 2 0 377.489 -1.179 20 0 GAADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC1 ZINC000583434917 1073618578 /nfs/dbraw/zinc/61/85/78/1073618578.db2.gz PUVDDCAUVKDWDW-HZPDHXFCSA-N 2 0 377.489 -1.179 20 0 GAADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000583434918 1073618495 /nfs/dbraw/zinc/61/84/95/1073618495.db2.gz PUVDDCAUVKDWDW-JKSUJKDBSA-N 2 0 377.489 -1.179 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000584158650 1073638586 /nfs/dbraw/zinc/63/85/86/1073638586.db2.gz QLQCCNIIDVKGBJ-UHFFFAOYSA-N 2 0 396.536 -1.639 20 0 GAADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000584411701 1073642433 /nfs/dbraw/zinc/64/24/33/1073642433.db2.gz PIQMKYLDDUQZME-HNNXBMFYSA-N 2 0 375.477 -1.088 20 0 GAADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000584411705 1073642339 /nfs/dbraw/zinc/64/23/39/1073642339.db2.gz PIQMKYLDDUQZME-OAHLLOKOSA-N 2 0 375.477 -1.088 20 0 GAADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000584769970 1073879200 /nfs/dbraw/zinc/87/92/00/1073879200.db2.gz JYLCAVWAKKXDQI-UHFFFAOYSA-N 2 0 390.444 -1.713 20 0 GAADRP O=C(C[C@@]1(C(=O)NCCN2CC[NH2+]CC2)CC[NH2+]C1)NCCN1CC[NH2+]CC1 ZINC000584781397 1073879107 /nfs/dbraw/zinc/87/91/07/1073879107.db2.gz MTVWDHGNTKBHNW-IBGZPJMESA-N 3 0 395.552 -2.601 20 0 GAADRP O=C(C[C@]1(C(=O)NCCN2CC[NH2+]CC2)CC[NH2+]C1)NCCN1CC[NH2+]CC1 ZINC000584781398 1073879145 /nfs/dbraw/zinc/87/91/45/1073879145.db2.gz MTVWDHGNTKBHNW-LJQANCHMSA-N 3 0 395.552 -2.601 20 0 GAADRP COC(=O)[C@@H]1C[C@@H](O)C[NH+](CCOCC[N@@H+]2C[C@H](C(=O)OC)C[C@H](O)C2)C1 ZINC000592208345 1074525453 /nfs/dbraw/zinc/52/54/53/1074525453.db2.gz SSMCCICTZWHFMQ-FPCVCCKLSA-N 2 0 388.461 -1.285 20 0 GAADRP COC(=O)[C@@H]1C[C@H](O)C[NH+](CCOCC[N@H+]2C[C@@H](O)C[C@H](C(=O)OC)C2)C1 ZINC000592208349 1074525612 /nfs/dbraw/zinc/52/56/12/1074525612.db2.gz SSMCCICTZWHFMQ-FZKCQIBNSA-N 2 0 388.461 -1.285 20 0 GAADRP COC(=O)[C@@H]1C[C@H](O)C[NH+](CCOCC[N@H+]2C[C@H](O)C[C@H](C(=O)OC)C2)C1 ZINC000592208350 1074525558 /nfs/dbraw/zinc/52/55/58/1074525558.db2.gz SSMCCICTZWHFMQ-SYMSYNOKSA-N 2 0 388.461 -1.285 20 0 GAADRP COC(=O)[C@@H]1C[C@H](O)C[NH+](CCOCC[N@@H+]2C[C@H](C(=O)OC)C[C@H](O)C2)C1 ZINC000592208351 1074525502 /nfs/dbraw/zinc/52/55/02/1074525502.db2.gz SSMCCICTZWHFMQ-WCVJEAGWSA-N 2 0 388.461 -1.285 20 0 GAADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)C2)CC1 ZINC000594532999 1074536936 /nfs/dbraw/zinc/53/69/36/1074536936.db2.gz IURGBFHXTNAPEW-IXDOHACOSA-N 2 0 379.505 -1.498 20 0 GAADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)C2)CC1 ZINC000594533000 1074537326 /nfs/dbraw/zinc/53/73/26/1074537326.db2.gz IURGBFHXTNAPEW-YESZJQIVSA-N 2 0 379.505 -1.498 20 0 GAADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)C2)CC1 ZINC000594538014 1074537264 /nfs/dbraw/zinc/53/72/64/1074537264.db2.gz YGQYXOGOEMNHQJ-FGTMMUONSA-N 2 0 393.532 -1.109 20 0 GAADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)C2)CC1 ZINC000594538021 1074537078 /nfs/dbraw/zinc/53/70/78/1074537078.db2.gz YGQYXOGOEMNHQJ-OKZBNKHCSA-N 2 0 393.532 -1.109 20 0 GAADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)C2)CC1 ZINC000595276132 1074542135 /nfs/dbraw/zinc/54/21/35/1074542135.db2.gz GZUAGWUFSTZPDB-BPUTZDHNSA-N 2 0 392.504 -1.959 20 0 GAADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)C2)CC1 ZINC000595276133 1074542170 /nfs/dbraw/zinc/54/21/70/1074542170.db2.gz GZUAGWUFSTZPDB-CWRNSKLLSA-N 2 0 392.504 -1.959 20 0 GAADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)C2)CC1 ZINC000595276134 1074542715 /nfs/dbraw/zinc/54/27/15/1074542715.db2.gz GZUAGWUFSTZPDB-IMJJTQAJSA-N 2 0 392.504 -1.959 20 0 GAADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)C2)CC1 ZINC000595276135 1074542736 /nfs/dbraw/zinc/54/27/36/1074542736.db2.gz GZUAGWUFSTZPDB-NUEKZKHPSA-N 2 0 392.504 -1.959 20 0 GAADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)C(=O)NCC3CC[NH+](CC4CC4)CC3)CCN2C1=O ZINC000595281547 1074543273 /nfs/dbraw/zinc/54/32/73/1074543273.db2.gz MUCIZPDGJRSPLT-CVEARBPZSA-N 2 0 377.489 -1.005 20 0 GAADRP [NH3+][C@H]1C[C@H]2CN(C(=O)C(=O)NCC3CC[NH+](CC4CC4)CC3)CCN2C1=O ZINC000595281548 1074543051 /nfs/dbraw/zinc/54/30/51/1074543051.db2.gz MUCIZPDGJRSPLT-HOTGVXAUSA-N 2 0 377.489 -1.005 20 0 GAADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)NCC3CC[NH+](CC4CC4)CC3)CCN2C1=O ZINC000595281549 1073906004 /nfs/dbraw/zinc/90/60/04/1073906004.db2.gz MUCIZPDGJRSPLT-HZPDHXFCSA-N 2 0 377.489 -1.005 20 0 GAADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)NCC3CC[NH+](CC4CC4)CC3)CCN2C1=O ZINC000595281550 1074543104 /nfs/dbraw/zinc/54/31/04/1074543104.db2.gz MUCIZPDGJRSPLT-JKSUJKDBSA-N 2 0 377.489 -1.005 20 0 GAADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)C2)CC1 ZINC000595979211 1074547690 /nfs/dbraw/zinc/54/76/90/1074547690.db2.gz BZJNGQOPNOTJHC-BZUAXINKSA-N 2 0 377.489 -1.053 20 0 GAADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)C2)CC1 ZINC000595979212 1074547440 /nfs/dbraw/zinc/54/74/40/1074547440.db2.gz BZJNGQOPNOTJHC-OAGGEKHMSA-N 2 0 377.489 -1.053 20 0 GAADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)C2)CC1 ZINC000595979213 1074547663 /nfs/dbraw/zinc/54/76/63/1074547663.db2.gz BZJNGQOPNOTJHC-OWCLPIDISA-N 2 0 377.489 -1.053 20 0 GAADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)C2)CC1 ZINC000595979214 1074547423 /nfs/dbraw/zinc/54/74/23/1074547423.db2.gz BZJNGQOPNOTJHC-PMPSAXMXSA-N 2 0 377.489 -1.053 20 0 GAADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000595979238 1074546517 /nfs/dbraw/zinc/54/65/17/1074546517.db2.gz CLXARGPZXNNDTJ-ARFHVFGLSA-N 2 0 377.489 -1.053 20 0 GAADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000595979239 1074546544 /nfs/dbraw/zinc/54/65/44/1074546544.db2.gz CLXARGPZXNNDTJ-HRCADAONSA-N 2 0 377.489 -1.053 20 0 GAADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000595979240 1074546668 /nfs/dbraw/zinc/54/66/68/1074546668.db2.gz CLXARGPZXNNDTJ-JYJNAYRXSA-N 2 0 377.489 -1.053 20 0 GAADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000595979241 1074546508 /nfs/dbraw/zinc/54/65/08/1074546508.db2.gz CLXARGPZXNNDTJ-XHSDSOJGSA-N 2 0 377.489 -1.053 20 0 GAADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CCC[C@H](C[NH+]4CCOCC4)C3)CCN2C1=O ZINC000595980828 1074550468 /nfs/dbraw/zinc/55/04/68/1074550468.db2.gz LIUXLIMTXDVWLT-BZUAXINKSA-N 2 0 393.488 -1.672 20 0 GAADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)C(=O)N3CCC[C@H](C[NH+]4CCOCC4)C3)CCN2C1=O ZINC000595980829 1074550484 /nfs/dbraw/zinc/55/04/84/1074550484.db2.gz LIUXLIMTXDVWLT-OAGGEKHMSA-N 2 0 393.488 -1.672 20 0 GAADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)N3CCC[C@H](C[NH+]4CCOCC4)C3)CCN2C1=O ZINC000595980830 1074550424 /nfs/dbraw/zinc/55/04/24/1074550424.db2.gz LIUXLIMTXDVWLT-OWCLPIDISA-N 2 0 393.488 -1.672 20 0 GAADRP [NH3+][C@H]1C[C@H]2CN(C(=O)C(=O)N3CCC[C@H](C[NH+]4CCOCC4)C3)CCN2C1=O ZINC000595980831 1074550446 /nfs/dbraw/zinc/55/04/46/1074550446.db2.gz LIUXLIMTXDVWLT-PMPSAXMXSA-N 2 0 393.488 -1.672 20 0 GAADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000595981058 1074549914 /nfs/dbraw/zinc/54/99/14/1074549914.db2.gz NNBDPVJZGGRGIM-GDBMZVCRSA-N 2 0 395.504 -1.284 20 0 GAADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000595981059 1074549776 /nfs/dbraw/zinc/54/97/76/1074549776.db2.gz NNBDPVJZGGRGIM-GOEBONIOSA-N 2 0 395.504 -1.284 20 0 GAADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000595981060 1074550034 /nfs/dbraw/zinc/55/00/34/1074550034.db2.gz NNBDPVJZGGRGIM-HOCLYGCPSA-N 2 0 395.504 -1.284 20 0 GAADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000595981061 1074549725 /nfs/dbraw/zinc/54/97/25/1074549725.db2.gz NNBDPVJZGGRGIM-ZBFHGGJFSA-N 2 0 395.504 -1.284 20 0 GAADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595981113 1074550309 /nfs/dbraw/zinc/55/03/09/1074550309.db2.gz MQQWNNLJJBMNAD-CVEARBPZSA-N 2 0 394.520 -1.759 20 0 GAADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595981114 1074550669 /nfs/dbraw/zinc/55/06/69/1074550669.db2.gz MQQWNNLJJBMNAD-HOTGVXAUSA-N 2 0 394.520 -1.759 20 0 GAADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595981115 1074550623 /nfs/dbraw/zinc/55/06/23/1074550623.db2.gz MQQWNNLJJBMNAD-HZPDHXFCSA-N 2 0 394.520 -1.759 20 0 GAADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595981116 1074550561 /nfs/dbraw/zinc/55/05/61/1074550561.db2.gz MQQWNNLJJBMNAD-JKSUJKDBSA-N 2 0 394.520 -1.759 20 0 GAADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595982945 1074552116 /nfs/dbraw/zinc/55/21/16/1074552116.db2.gz VQRTXOICYBPKOE-BMFZPTHFSA-N 2 0 393.488 -1.532 20 0 GAADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595982946 1074552181 /nfs/dbraw/zinc/55/21/81/1074552181.db2.gz VQRTXOICYBPKOE-BPUTZDHNSA-N 2 0 393.488 -1.532 20 0 GAADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595982947 1074552485 /nfs/dbraw/zinc/55/24/85/1074552485.db2.gz VQRTXOICYBPKOE-CWRNSKLLSA-N 2 0 393.488 -1.532 20 0 GAADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595982948 1074552443 /nfs/dbraw/zinc/55/24/43/1074552443.db2.gz VQRTXOICYBPKOE-FVQBIDKESA-N 2 0 393.488 -1.532 20 0 GAADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595982949 1074552238 /nfs/dbraw/zinc/55/22/38/1074552238.db2.gz VQRTXOICYBPKOE-IMJJTQAJSA-N 2 0 393.488 -1.532 20 0 GAADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595982950 1074552275 /nfs/dbraw/zinc/55/22/75/1074552275.db2.gz VQRTXOICYBPKOE-KBMXLJTQSA-N 2 0 393.488 -1.532 20 0 GAADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595982951 1074552201 /nfs/dbraw/zinc/55/22/01/1074552201.db2.gz VQRTXOICYBPKOE-NUEKZKHPSA-N 2 0 393.488 -1.532 20 0 GAADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595982952 1074552342 /nfs/dbraw/zinc/55/23/42/1074552342.db2.gz VQRTXOICYBPKOE-VNQPRFMTSA-N 2 0 393.488 -1.532 20 0 GAADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000595983781 1074553540 /nfs/dbraw/zinc/55/35/40/1074553540.db2.gz ZOPNBXBWSXTOGQ-ARFHVFGLSA-N 2 0 395.504 -1.284 20 0 GAADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000595983782 1074553382 /nfs/dbraw/zinc/55/33/82/1074553382.db2.gz ZOPNBXBWSXTOGQ-BZUAXINKSA-N 2 0 395.504 -1.284 20 0 GAADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000595983783 1074553531 /nfs/dbraw/zinc/55/35/31/1074553531.db2.gz ZOPNBXBWSXTOGQ-OAGGEKHMSA-N 2 0 395.504 -1.284 20 0 GAADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000595983785 1074553595 /nfs/dbraw/zinc/55/35/95/1074553595.db2.gz ZOPNBXBWSXTOGQ-XHSDSOJGSA-N 2 0 395.504 -1.284 20 0 GAADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)C(=O)N3CC[NH+](CC4CCOCC4)CC3)CCN2C1=O ZINC000595985453 1074554040 /nfs/dbraw/zinc/55/40/40/1074554040.db2.gz BUSZBHLTGWATLI-CVEARBPZSA-N 2 0 393.488 -1.672 20 0 GAADRP [NH3+][C@H]1C[C@H]2CN(C(=O)C(=O)N3CC[NH+](CC4CCOCC4)CC3)CCN2C1=O ZINC000595985454 1074553877 /nfs/dbraw/zinc/55/38/77/1074553877.db2.gz BUSZBHLTGWATLI-HOTGVXAUSA-N 2 0 393.488 -1.672 20 0 GAADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CC[NH+](CC4CCOCC4)CC3)CCN2C1=O ZINC000595985455 1074554101 /nfs/dbraw/zinc/55/41/01/1074554101.db2.gz BUSZBHLTGWATLI-HZPDHXFCSA-N 2 0 393.488 -1.672 20 0 GAADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)N3CC[NH+](CC4CCOCC4)CC3)CCN2C1=O ZINC000595985456 1074553978 /nfs/dbraw/zinc/55/39/78/1074553978.db2.gz BUSZBHLTGWATLI-JKSUJKDBSA-N 2 0 393.488 -1.672 20 0 GAADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)CC2)C1 ZINC000595985504 1074554006 /nfs/dbraw/zinc/55/40/06/1074554006.db2.gz COTRPNPZFZEGQS-ARFHVFGLSA-N 2 0 392.504 -2.005 20 0 GAADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)CC2)C1 ZINC000595985505 1074554172 /nfs/dbraw/zinc/55/41/72/1074554172.db2.gz COTRPNPZFZEGQS-HRCADAONSA-N 2 0 392.504 -2.005 20 0 GAADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)CC2)C1 ZINC000595985506 1074554199 /nfs/dbraw/zinc/55/41/99/1074554199.db2.gz COTRPNPZFZEGQS-JYJNAYRXSA-N 2 0 392.504 -2.005 20 0 GAADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)CC2)C1 ZINC000595985507 1074554614 /nfs/dbraw/zinc/55/46/14/1074554614.db2.gz COTRPNPZFZEGQS-XHSDSOJGSA-N 2 0 392.504 -2.005 20 0 GAADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CCO1 ZINC000595988750 1074557181 /nfs/dbraw/zinc/55/71/81/1074557181.db2.gz CPNHMZKIAIXOMX-KFWWJZLASA-N 2 0 381.477 -1.674 20 0 GAADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CCO1 ZINC000595988751 1074557080 /nfs/dbraw/zinc/55/70/80/1074557080.db2.gz CPNHMZKIAIXOMX-RBSFLKMASA-N 2 0 381.477 -1.674 20 0 GAADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CCO1 ZINC000595988752 1074557172 /nfs/dbraw/zinc/55/71/72/1074557172.db2.gz CPNHMZKIAIXOMX-RRFJBIMHSA-N 2 0 381.477 -1.674 20 0 GAADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CCO1 ZINC000595988753 1074557036 /nfs/dbraw/zinc/55/70/36/1074557036.db2.gz CPNHMZKIAIXOMX-ZNMIVQPWSA-N 2 0 381.477 -1.674 20 0 GAADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)C(=O)N3CCC(C[NH+]4CCOCC4)CC3)CCN2C1=O ZINC000595989223 1074556559 /nfs/dbraw/zinc/55/65/59/1074556559.db2.gz RBPKFJFOHNDPFC-CVEARBPZSA-N 2 0 393.488 -1.672 20 0 GAADRP [NH3+][C@H]1C[C@H]2CN(C(=O)C(=O)N3CCC(C[NH+]4CCOCC4)CC3)CCN2C1=O ZINC000595989224 1074556439 /nfs/dbraw/zinc/55/64/39/1074556439.db2.gz RBPKFJFOHNDPFC-HOTGVXAUSA-N 2 0 393.488 -1.672 20 0 GAADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CCC(C[NH+]4CCOCC4)CC3)CCN2C1=O ZINC000595989225 1074556517 /nfs/dbraw/zinc/55/65/17/1074556517.db2.gz RBPKFJFOHNDPFC-HZPDHXFCSA-N 2 0 393.488 -1.672 20 0 GAADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)N3CCC(C[NH+]4CCOCC4)CC3)CCN2C1=O ZINC000595989227 1074556496 /nfs/dbraw/zinc/55/64/96/1074556496.db2.gz RBPKFJFOHNDPFC-JKSUJKDBSA-N 2 0 393.488 -1.672 20 0 GAADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H](C[NH+]4CCOCC4)C3)CCN2C1=O ZINC000595989620 1074556528 /nfs/dbraw/zinc/55/65/28/1074556528.db2.gz LIUXLIMTXDVWLT-ARFHVFGLSA-N 2 0 393.488 -1.672 20 0 GAADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)N3CCC[C@@H](C[NH+]4CCOCC4)C3)CCN2C1=O ZINC000595989621 1074556480 /nfs/dbraw/zinc/55/64/80/1074556480.db2.gz LIUXLIMTXDVWLT-HRCADAONSA-N 2 0 393.488 -1.672 20 0 GAADRP [NH3+][C@H]1C[C@H]2CN(C(=O)C(=O)N3CCC[C@@H](C[NH+]4CCOCC4)C3)CCN2C1=O ZINC000595989622 1074556504 /nfs/dbraw/zinc/55/65/04/1074556504.db2.gz LIUXLIMTXDVWLT-JYJNAYRXSA-N 2 0 393.488 -1.672 20 0 GAADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H](C[NH+]4CCOCC4)C3)CCN2C1=O ZINC000595989623 1074556571 /nfs/dbraw/zinc/55/65/71/1074556571.db2.gz LIUXLIMTXDVWLT-XHSDSOJGSA-N 2 0 393.488 -1.672 20 0 GAADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595991176 1074558638 /nfs/dbraw/zinc/55/86/38/1074558638.db2.gz MBLLZMAKBNFMLX-CABCVRRESA-N 2 0 383.493 -1.426 20 0 GAADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595991177 1074558772 /nfs/dbraw/zinc/55/87/72/1074558772.db2.gz MBLLZMAKBNFMLX-GJZGRUSLSA-N 2 0 383.493 -1.426 20 0 GAADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595991178 1074558710 /nfs/dbraw/zinc/55/87/10/1074558710.db2.gz MBLLZMAKBNFMLX-HUUCEWRRSA-N 2 0 383.493 -1.426 20 0 GAADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595991179 1074558696 /nfs/dbraw/zinc/55/86/96/1074558696.db2.gz MBLLZMAKBNFMLX-LSDHHAIUSA-N 2 0 383.493 -1.426 20 0 GAADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595991604 1074557969 /nfs/dbraw/zinc/55/79/69/1074557969.db2.gz NZOKMTMSATYJCB-DZGCQCFKSA-N 2 0 377.445 -1.060 20 0 GAADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595991606 1074558180 /nfs/dbraw/zinc/55/81/80/1074558180.db2.gz NZOKMTMSATYJCB-HIFRSBDPSA-N 2 0 377.445 -1.060 20 0 GAADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595991607 1074558173 /nfs/dbraw/zinc/55/81/73/1074558173.db2.gz NZOKMTMSATYJCB-UKRRQHHQSA-N 2 0 377.445 -1.060 20 0 GAADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595991608 1074557949 /nfs/dbraw/zinc/55/79/49/1074557949.db2.gz NZOKMTMSATYJCB-ZFWWWQNUSA-N 2 0 377.445 -1.060 20 0 GAADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595993657 1074559153 /nfs/dbraw/zinc/55/91/53/1074559153.db2.gz SVEWCBYFJHDGPL-ILXRZTDVSA-N 2 0 381.477 -1.674 20 0 GAADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595993658 1074559240 /nfs/dbraw/zinc/55/92/40/1074559240.db2.gz SVEWCBYFJHDGPL-KKUMJFAQSA-N 2 0 381.477 -1.674 20 0 GAADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595993659 1074559272 /nfs/dbraw/zinc/55/92/72/1074559272.db2.gz SVEWCBYFJHDGPL-QLFBSQMISA-N 2 0 381.477 -1.674 20 0 GAADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595993660 1074559084 /nfs/dbraw/zinc/55/90/84/1074559084.db2.gz SVEWCBYFJHDGPL-SOUVJXGZSA-N 2 0 381.477 -1.674 20 0 GAADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000596006596 1074561117 /nfs/dbraw/zinc/56/11/17/1074561117.db2.gz YCZLSAPOYAFFER-CABCVRRESA-N 2 0 382.509 -1.901 20 0 GAADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000596006602 1074561225 /nfs/dbraw/zinc/56/12/25/1074561225.db2.gz YCZLSAPOYAFFER-GJZGRUSLSA-N 2 0 382.509 -1.901 20 0 GAADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000596006603 1074561194 /nfs/dbraw/zinc/56/11/94/1074561194.db2.gz YCZLSAPOYAFFER-HUUCEWRRSA-N 2 0 382.509 -1.901 20 0 GAADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000596006604 1074561038 /nfs/dbraw/zinc/56/10/38/1074561038.db2.gz YCZLSAPOYAFFER-LSDHHAIUSA-N 2 0 382.509 -1.901 20 0 GAADRP COC(=O)c1c(NCC[NH+]2CC[C@@H](O)C2)ncnc1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000599175968 1074572735 /nfs/dbraw/zinc/57/27/35/1074572735.db2.gz LMKRYCAOSZOPAS-ZIAGYGMSSA-N 2 0 394.476 -0.780 20 0 GAADRP COC(=O)c1c(NCC[NH+]2CC[C@H](O)C2)ncnc1NCC[N@@H+]1CC[C@H](O)C1 ZINC000599199461 1074572995 /nfs/dbraw/zinc/57/29/95/1074572995.db2.gz LMKRYCAOSZOPAS-KBPBESRZSA-N 2 0 394.476 -0.780 20 0 GAADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000600799339 1075761857 /nfs/dbraw/zinc/76/18/57/1075761857.db2.gz ZSHFFSSWHWLRRO-CABCVRRESA-N 2 0 393.488 -1.530 20 0 GAADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000600799348 1075761892 /nfs/dbraw/zinc/76/18/92/1075761892.db2.gz ZSHFFSSWHWLRRO-GJZGRUSLSA-N 2 0 393.488 -1.530 20 0 GAADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000600799350 1075761924 /nfs/dbraw/zinc/76/19/24/1075761924.db2.gz ZSHFFSSWHWLRRO-HUUCEWRRSA-N 2 0 393.488 -1.530 20 0 GAADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000600799352 1075761883 /nfs/dbraw/zinc/76/18/83/1075761883.db2.gz ZSHFFSSWHWLRRO-LSDHHAIUSA-N 2 0 393.488 -1.530 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000607238838 1074582982 /nfs/dbraw/zinc/58/29/82/1074582982.db2.gz ZVYIIPYQIAMXGT-UHFFFAOYSA-N 2 0 392.570 -1.302 20 0 GAADRP C[NH+](C)CCN1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1=O ZINC000612591921 1073741304 /nfs/dbraw/zinc/74/13/04/1073741304.db2.gz LCOKNUVCHSJBJK-INIZCTEOSA-N 2 0 395.504 -1.412 20 0 GAADRP C[NH+](C)CCN1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1=O ZINC000612591922 1073741272 /nfs/dbraw/zinc/74/12/72/1073741272.db2.gz LCOKNUVCHSJBJK-MRXNPFEDSA-N 2 0 395.504 -1.412 20 0 GAADRP C[NH+](C)C[C@@](C)(O)CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@](C)(O)C[NH+](C)C)O1 ZINC000612870492 1073749480 /nfs/dbraw/zinc/74/94/80/1073749480.db2.gz FJSJMAAIYWVTSI-DACLVMHWSA-N 2 0 388.509 -1.608 20 0 GAADRP C[NH+](C)C[C@](C)(O)CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@](C)(O)C[NH+](C)C)O1 ZINC000612870495 1073749532 /nfs/dbraw/zinc/74/95/32/1073749532.db2.gz FJSJMAAIYWVTSI-MHGIMSBQSA-N 2 0 388.509 -1.608 20 0 GAADRP C[NH+](C)C[C@](C)(O)CNC(=O)c1cc(C(=O)NC[C@](C)(O)C[NH+](C)C)[nH]n1 ZINC000612871467 1074342303 /nfs/dbraw/zinc/34/23/03/1074342303.db2.gz NWEYMGQZVCGQMA-CALCHBBNSA-N 2 0 384.481 -1.506 20 0 GAADRP C[NH+](C)C[C@](C)(O)CNC(=O)c1cc(C(=O)NC[C@@](C)(O)C[NH+](C)C)[nH]n1 ZINC000612871468 1073750335 /nfs/dbraw/zinc/75/03/35/1073750335.db2.gz NWEYMGQZVCGQMA-IAGOWNOFSA-N 2 0 384.481 -1.506 20 0 GAADRP C[NH+](C)C[C@@](C)(O)CNC(=O)c1cc(C(=O)NC[C@](C)(O)C[NH+](C)C)[nH]n1 ZINC000612871469 1073750281 /nfs/dbraw/zinc/75/02/81/1073750281.db2.gz NWEYMGQZVCGQMA-IRXDYDNUSA-N 2 0 384.481 -1.506 20 0 GAADRP CC1[C@H](C(=O)N2CCN(CCO)[C@@H](C)C2)[C@H]1C(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000613698372 1073869623 /nfs/dbraw/zinc/86/96/23/1073869623.db2.gz XPLJVEPGGOZZMX-LAQRGFTBSA-N 2 0 396.532 -1.082 20 0 GAADRP CC1[C@H](C(=O)N2CCN(CCO)[C@H](C)C2)[C@H]1C(=O)N1CCN(CCO)[C@H](C)C1 ZINC000613698374 1073869714 /nfs/dbraw/zinc/86/97/14/1073869714.db2.gz XPLJVEPGGOZZMX-LMSBXDPUSA-N 2 0 396.532 -1.082 20 0 GAADRP O=C(CN1C[C@H]2C[NH2+]C[C@@H]2C1)N1CCN(C(=O)CN2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000613993857 1073951887 /nfs/dbraw/zinc/95/18/87/1073951887.db2.gz ZGPLBSNEWNRHRJ-TVFCKZIOSA-N 2 0 390.532 -2.040 20 0 GAADRP O=C(CN1C[C@H]2C[NH2+]C[C@H]2C1)N1CCN(C(=O)CN2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000613993867 1073951902 /nfs/dbraw/zinc/95/19/02/1073951902.db2.gz ZGPLBSNEWNRHRJ-USTZCAOPSA-N 2 0 390.532 -2.040 20 0 GAADRP O=C(CN1C[C@H]2C[NH2+]C[C@H]2C1)N1CCN(C(=O)CN2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000613993868 1073951879 /nfs/dbraw/zinc/95/18/79/1073951879.db2.gz ZGPLBSNEWNRHRJ-XLAORIBOSA-N 2 0 390.532 -2.040 20 0 GAADRP O=C(CN1C[C@@H]2C[NH2+]C[C@H]2C1)N1CCN(C(=O)CN2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000613993869 1073951709 /nfs/dbraw/zinc/95/17/09/1073951709.db2.gz ZGPLBSNEWNRHRJ-XSLAGTTESA-N 2 0 390.532 -2.040 20 0 GAADRP C[NH+](C)C[C@H](CO)NC(=O)c1cccc(C(=O)N[C@H](CO)C[NH+](C)C)c1N ZINC000614846686 1074290876 /nfs/dbraw/zinc/29/08/76/1074290876.db2.gz HRQQRFLMFALVPT-BETUJISGSA-N 2 0 381.477 -1.427 20 0 GAADRP C[NH+](C)C[C@H](CO)NC(=O)c1cccc(C(=O)N[C@@H](CO)C[NH+](C)C)c1N ZINC000614846687 1074290834 /nfs/dbraw/zinc/29/08/34/1074290834.db2.gz HRQQRFLMFALVPT-CHWSQXEVSA-N 2 0 381.477 -1.427 20 0 GAADRP C[NH+](C)C[C@@H](CO)NC(=O)c1cccc(C(=O)N[C@H](CO)C[NH+](C)C)c1N ZINC000614846688 1074290850 /nfs/dbraw/zinc/29/08/50/1074290850.db2.gz HRQQRFLMFALVPT-STQMWFEESA-N 2 0 381.477 -1.427 20 0 GAADRP C[NH+](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 1074301562 /nfs/dbraw/zinc/30/15/62/1074301562.db2.gz QRFVAIVCDOOCMS-OJFNHCPVSA-N 2 0 384.477 -2.199 20 0 GAADRP C[NH+](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 1074301482 /nfs/dbraw/zinc/30/14/82/1074301482.db2.gz XUQRXSWFNAGDNM-AJNGGQMLSA-N 2 0 380.449 -2.097 20 0 GAADRP CC1[C@H](C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)[C@H]1C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000616702874 1074684245 /nfs/dbraw/zinc/68/42/45/1074684245.db2.gz ILIYRWILJHFOFV-ARAZSQDJSA-N 2 0 392.500 -1.577 20 0 GAADRP O[C@@H]1CC[NH+](CCNc2nc(NCC[N@H+]3CC[C@@H](O)C3)nc3c2SCC3)C1 ZINC000624683839 1074772144 /nfs/dbraw/zinc/77/21/44/1074772144.db2.gz VECOSOJNJXEKAH-ZIAGYGMSSA-N 2 0 394.545 -1.074 20 0 GAADRP O[C@@H]1CC[NH+](CCN=c2cc(NCC[N@H+]3CC[C@@H](O)C3)n3[nH]cnc3n2)C1 ZINC000624684200 1074772341 /nfs/dbraw/zinc/77/23/41/1074772341.db2.gz ZDVTXOQROZLYIB-ZIAGYGMSSA-N 2 0 376.465 -1.497 20 0 GAADRP O[C@H]1CC[NH+](CCN=c2cc(NCC[N@H+]3CC[C@H](O)C3)n3[nH]cnc3n2)C1 ZINC000624775555 1074790922 /nfs/dbraw/zinc/79/09/22/1074790922.db2.gz ZDVTXOQROZLYIB-KBPBESRZSA-N 2 0 376.465 -1.497 20 0 GAADRP O[C@H]1CC[NH+](CCNc2nc(NCC[N@H+]3CC[C@H](O)C3)nc3c2SCC3)C1 ZINC000624777687 1074791050 /nfs/dbraw/zinc/79/10/50/1074791050.db2.gz VECOSOJNJXEKAH-KBPBESRZSA-N 2 0 394.545 -1.074 20 0 GAADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCO[C@H](CC(N)=O)C1 ZINC000625409663 1074836232 /nfs/dbraw/zinc/83/62/32/1074836232.db2.gz ILWOHHRUZLBRKF-OAHLLOKOSA-N 2 0 383.493 -1.426 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(c2nccnn2)CC1 ZINC000625464683 1073552339 /nfs/dbraw/zinc/55/23/39/1073552339.db2.gz BHJRDWSQDRQXBK-UHFFFAOYSA-N 2 0 378.481 -1.528 20 0 GAADRP CNC(=O)NC[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC000625466665 1074838254 /nfs/dbraw/zinc/83/82/54/1074838254.db2.gz YJQOIEVIAQGKBP-AWEZNQCLSA-N 2 0 386.497 -1.905 20 0 GAADRP CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC000625466670 1074838416 /nfs/dbraw/zinc/83/84/16/1074838416.db2.gz YJQOIEVIAQGKBP-CQSZACIVSA-N 2 0 386.497 -1.905 20 0 GAADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000625747547 1074866082 /nfs/dbraw/zinc/86/60/82/1074866082.db2.gz RIWKXHUXTTYAGO-JKSUJKDBSA-N 2 0 380.489 -1.023 20 0 GAADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000626847713 1075770881 /nfs/dbraw/zinc/77/08/81/1075770881.db2.gz YBVAKIIENVLZOY-HNNXBMFYSA-N 2 0 393.492 -1.044 20 0 GAADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000626847714 1075770893 /nfs/dbraw/zinc/77/08/93/1075770893.db2.gz YBVAKIIENVLZOY-OAHLLOKOSA-N 2 0 393.492 -1.044 20 0 GAADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)n1 ZINC000627120756 1075771198 /nfs/dbraw/zinc/77/11/98/1075771198.db2.gz UGWAWJVVOXUBBY-UHFFFAOYSA-N 2 0 378.437 -1.507 20 0 GAADRP CC[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC000627293316 1075771770 /nfs/dbraw/zinc/77/17/70/1075771770.db2.gz QCSQIDKBYKABOQ-UHFFFAOYSA-N 2 0 380.493 -1.244 20 0 GAADRP O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627296928 1075772163 /nfs/dbraw/zinc/77/21/63/1075772163.db2.gz XEYFOFAZVDYJLL-DLBZAZTESA-N 2 0 376.457 -1.026 20 0 GAADRP O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627296929 1075772081 /nfs/dbraw/zinc/77/20/81/1075772081.db2.gz XEYFOFAZVDYJLL-IAGOWNOFSA-N 2 0 376.457 -1.026 20 0 GAADRP O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627296930 1075771981 /nfs/dbraw/zinc/77/19/81/1075771981.db2.gz XEYFOFAZVDYJLL-IRXDYDNUSA-N 2 0 376.457 -1.026 20 0 GAADRP O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627296931 1075772117 /nfs/dbraw/zinc/77/21/17/1075772117.db2.gz XEYFOFAZVDYJLL-SJORKVTESA-N 2 0 376.457 -1.026 20 0 GAADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC[N@@H+]1C ZINC000627304980 1075772062 /nfs/dbraw/zinc/77/20/62/1075772062.db2.gz KTOWRRBIRFXTLM-CABCVRRESA-N 2 0 380.493 -1.245 20 0 GAADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC[N@@H+]1C ZINC000627304981 1075772142 /nfs/dbraw/zinc/77/21/42/1075772142.db2.gz KTOWRRBIRFXTLM-GJZGRUSLSA-N 2 0 380.493 -1.245 20 0 GAADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC[N@@H+]1C ZINC000627304982 1075772029 /nfs/dbraw/zinc/77/20/29/1075772029.db2.gz KTOWRRBIRFXTLM-HUUCEWRRSA-N 2 0 380.493 -1.245 20 0 GAADRP C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC[N@@H+]1C ZINC000627304983 1075772008 /nfs/dbraw/zinc/77/20/08/1075772008.db2.gz KTOWRRBIRFXTLM-LSDHHAIUSA-N 2 0 380.493 -1.245 20 0 GAADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627312973 1075772363 /nfs/dbraw/zinc/77/23/63/1075772363.db2.gz PRLZWYPCQDFQLX-HNNXBMFYSA-N 2 0 395.508 -2.482 20 0 GAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627312974 1075772380 /nfs/dbraw/zinc/77/23/80/1075772380.db2.gz PRLZWYPCQDFQLX-OAHLLOKOSA-N 2 0 395.508 -2.482 20 0 GAADRP C[NH2+]CCOCCNC(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000627315521 1075772598 /nfs/dbraw/zinc/77/25/98/1075772598.db2.gz INSXPOVFEOXSLT-UHFFFAOYSA-N 2 0 385.509 -1.749 20 0 GAADRP CN(CCOCC[NH3+])C(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000627315538 1075772624 /nfs/dbraw/zinc/77/26/24/1075772624.db2.gz JFAIZMXIYPWZNX-UHFFFAOYSA-N 2 0 385.509 -1.667 20 0 GAADRP C[NH+]1CCC(CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)(N2CCOCC2)CC1 ZINC000627315673 1075772605 /nfs/dbraw/zinc/77/26/05/1075772605.db2.gz NGDNEJLPFLBDCI-HNNXBMFYSA-N 2 0 383.493 -1.996 20 0 GAADRP C[NH+]1CCC(CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)(N2CCOCC2)CC1 ZINC000627315674 1075772613 /nfs/dbraw/zinc/77/26/13/1075772613.db2.gz NGDNEJLPFLBDCI-OAHLLOKOSA-N 2 0 383.493 -1.996 20 0 GAADRP C[NH+]1CCC(CNC(=O)C(=O)NCCOCCC[NH3+])(N2CCOCC2)CC1 ZINC000627315699 1075772621 /nfs/dbraw/zinc/77/26/21/1075772621.db2.gz NTBLGSIJGAAXBZ-UHFFFAOYSA-N 2 0 385.509 -1.619 20 0 GAADRP C[NH2+]CCOCCN(C)C(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000627315718 1075772577 /nfs/dbraw/zinc/77/25/77/1075772577.db2.gz OKNHZUVOVURBKV-UHFFFAOYSA-N 2 0 399.536 -1.406 20 0 GAADRP O=C(NC1CC[NH+](C2CC2)CC1)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627323439 1075772750 /nfs/dbraw/zinc/77/27/50/1075772750.db2.gz WFTSIWVTQRTZQQ-UHFFFAOYSA-N 2 0 392.504 -1.101 20 0 GAADRP CN(CCOCC[NH3+])C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000627323609 1075772942 /nfs/dbraw/zinc/77/29/42/1075772942.db2.gz ALVBYBWDFLOJEY-UHFFFAOYSA-N 2 0 378.477 -1.117 20 0 GAADRP C[NH2+]CCOCCNC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000627323625 1075772919 /nfs/dbraw/zinc/77/29/19/1075772919.db2.gz AZZCWIOHEHMSNY-UHFFFAOYSA-N 2 0 378.477 -1.198 20 0 GAADRP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCCOCCC[NH3+])cn2)CC1 ZINC000627324120 1075773146 /nfs/dbraw/zinc/77/31/46/1075773146.db2.gz QKCMGBSXMPPHGY-UHFFFAOYSA-N 2 0 378.477 -1.069 20 0 GAADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627325174 1075773193 /nfs/dbraw/zinc/77/31/93/1075773193.db2.gz ACUVUPVPRKVWLI-AWEZNQCLSA-N 2 0 378.477 -1.491 20 0 GAADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627325175 1075773277 /nfs/dbraw/zinc/77/32/77/1075773277.db2.gz ACUVUPVPRKVWLI-CQSZACIVSA-N 2 0 378.477 -1.491 20 0 GAADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627329779 1074800206 /nfs/dbraw/zinc/80/02/06/1074800206.db2.gz UVJXNXFOYFFNHN-HNNXBMFYSA-N 2 0 397.520 -1.166 20 0 GAADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627329780 1074800230 /nfs/dbraw/zinc/80/02/30/1074800230.db2.gz UVJXNXFOYFFNHN-OAHLLOKOSA-N 2 0 397.520 -1.166 20 0 GAADRP CN(CCOCC[NH3+])C(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000627331780 1075773578 /nfs/dbraw/zinc/77/35/78/1075773578.db2.gz IBERKRKOSWHVGK-UHFFFAOYSA-N 2 0 378.477 -1.117 20 0 GAADRP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)NCCOCCC[NH3+])CC1 ZINC000627331844 1075773671 /nfs/dbraw/zinc/77/36/71/1075773671.db2.gz JPWOKFGWVSKEHK-UHFFFAOYSA-N 2 0 378.477 -1.069 20 0 GAADRP C[NH2+]CCOCCNC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000627332079 1075773634 /nfs/dbraw/zinc/77/36/34/1075773634.db2.gz PZJFHQRGOBPSKH-UHFFFAOYSA-N 2 0 378.477 -1.198 20 0 GAADRP C[NH2+]CCOCCNC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000627338300 1075773504 /nfs/dbraw/zinc/77/35/04/1075773504.db2.gz AUPRFTAODBHTMQ-UHFFFAOYSA-N 2 0 378.477 -1.198 20 0 GAADRP C[NH+]1CCN(c2cc(CNC(=O)C(=O)NCCOCCC[NH3+])ccn2)CC1 ZINC000627338331 1075773533 /nfs/dbraw/zinc/77/35/33/1075773533.db2.gz CBKANVHVOLDPJU-UHFFFAOYSA-N 2 0 378.477 -1.069 20 0 GAADRP CN(CCOCC[NH3+])C(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000627338512 1075773851 /nfs/dbraw/zinc/77/38/51/1075773851.db2.gz IRSHBTNUHHSRET-UHFFFAOYSA-N 2 0 378.477 -1.117 20 0 GAADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)c1 ZINC000627339094 1075773547 /nfs/dbraw/zinc/77/35/47/1075773547.db2.gz YWKZZUSDDSIYAB-INIZCTEOSA-N 2 0 391.472 -1.301 20 0 GAADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)c1 ZINC000627339095 1075773834 /nfs/dbraw/zinc/77/38/34/1075773834.db2.gz YWKZZUSDDSIYAB-MRXNPFEDSA-N 2 0 391.472 -1.301 20 0 GAADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CCC1 ZINC000627341752 1075773969 /nfs/dbraw/zinc/77/39/69/1075773969.db2.gz OMQVZLBIPOCMFN-UHFFFAOYSA-N 2 0 380.493 -1.244 20 0 GAADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C[N@@H+]1C1CC1 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CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000629790872 1075789483 /nfs/dbraw/zinc/78/94/83/1075789483.db2.gz LNWVQNSBDWNWSU-INIZCTEOSA-N 2 0 394.520 -1.044 20 0 GAADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000629790873 1075789577 /nfs/dbraw/zinc/78/95/77/1075789577.db2.gz LNWVQNSBDWNWSU-MRXNPFEDSA-N 2 0 394.520 -1.044 20 0 GAADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000629793842 1075789966 /nfs/dbraw/zinc/78/99/66/1075789966.db2.gz JIHUWEDRYVKIDL-UHFFFAOYSA-N 2 0 380.493 -1.290 20 0 GAADRP O=C(C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000629795629 1075789908 /nfs/dbraw/zinc/78/99/08/1075789908.db2.gz ZKHOITOGJRQCRO-INIZCTEOSA-N 2 0 392.504 -1.148 20 0 GAADRP O=C(C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000629795631 1075789845 /nfs/dbraw/zinc/78/98/45/1075789845.db2.gz ZKHOITOGJRQCRO-MRXNPFEDSA-N 2 0 392.504 -1.148 20 0 GAADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000629795714 1075789803 /nfs/dbraw/zinc/78/98/03/1075789803.db2.gz LORKCWFEFJOADK-UHFFFAOYSA-N 2 0 383.493 -1.553 20 0 GAADRP CN(C(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000629796030 1075789918 /nfs/dbraw/zinc/78/99/18/1075789918.db2.gz OCYYPIZVCUISAZ-INIZCTEOSA-N 2 0 392.504 -1.149 20 0 GAADRP CN(C(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000629796032 1075789816 /nfs/dbraw/zinc/78/98/16/1075789816.db2.gz OCYYPIZVCUISAZ-MRXNPFEDSA-N 2 0 392.504 -1.149 20 0 GAADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000629796951 1075790268 /nfs/dbraw/zinc/79/02/68/1075790268.db2.gz UONRDNMNCGUHQD-UHFFFAOYSA-N 2 0 394.520 -1.044 20 0 GAADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000629797059 1075790291 /nfs/dbraw/zinc/79/02/91/1075790291.db2.gz VYHFAWHYNCLRPO-UHFFFAOYSA-N 2 0 398.508 -1.808 20 0 GAADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000629797528 1075790252 /nfs/dbraw/zinc/79/02/52/1075790252.db2.gz YFMRIRKKJVIZMP-HNNXBMFYSA-N 2 0 380.493 -1.292 20 0 GAADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000629797532 1075790246 /nfs/dbraw/zinc/79/02/46/1075790246.db2.gz YFMRIRKKJVIZMP-OAHLLOKOSA-N 2 0 380.493 -1.292 20 0 GAADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000629800048 1075790554 /nfs/dbraw/zinc/79/05/54/1075790554.db2.gz WSMBSXQVNWBBKY-CVEARBPZSA-N 2 0 394.520 -1.046 20 0 GAADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000629800049 1075790629 /nfs/dbraw/zinc/79/06/29/1075790629.db2.gz WSMBSXQVNWBBKY-HOTGVXAUSA-N 2 0 394.520 -1.046 20 0 GAADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000629800050 1075790440 /nfs/dbraw/zinc/79/04/40/1075790440.db2.gz WSMBSXQVNWBBKY-HZPDHXFCSA-N 2 0 394.520 -1.046 20 0 GAADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000629800051 1075790866 /nfs/dbraw/zinc/79/08/66/1075790866.db2.gz WSMBSXQVNWBBKY-JKSUJKDBSA-N 2 0 394.520 -1.046 20 0 GAADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000629800598 1075790647 /nfs/dbraw/zinc/79/06/47/1075790647.db2.gz XFCHZIKTLBUEEO-UHFFFAOYSA-N 2 0 382.509 -1.044 20 0 GAADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000629801049 1075791439 /nfs/dbraw/zinc/79/14/39/1075791439.db2.gz AFQRDEFBMYCPCU-UHFFFAOYSA-N 2 0 380.493 -1.292 20 0 GAADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000629801349 1075791211 /nfs/dbraw/zinc/79/12/11/1075791211.db2.gz JLHPJWCBWFNMLE-HNNXBMFYSA-N 2 0 383.493 -1.554 20 0 GAADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000629801350 1075791092 /nfs/dbraw/zinc/79/10/92/1075791092.db2.gz JLHPJWCBWFNMLE-OAHLLOKOSA-N 2 0 383.493 -1.554 20 0 GAADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000629802625 1075791542 /nfs/dbraw/zinc/79/15/42/1075791542.db2.gz VZHITKVLBYJEHO-UHFFFAOYSA-N 2 0 382.509 -1.046 20 0 GAADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000629802636 1075791487 /nfs/dbraw/zinc/79/14/87/1075791487.db2.gz WDXQKVKSRSMNJR-INIZCTEOSA-N 2 0 394.520 -1.044 20 0 GAADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000629802637 1075791403 /nfs/dbraw/zinc/79/14/03/1075791403.db2.gz WDXQKVKSRSMNJR-MRXNPFEDSA-N 2 0 394.520 -1.044 20 0 GAADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCN(C(=O)N4CC[NH2+]CC4)CC3)[C@H]2C1 ZINC000629803322 1075791791 /nfs/dbraw/zinc/79/17/91/1075791791.db2.gz NBKBADRPBDMGIC-CVEARBPZSA-N 2 0 392.504 -1.292 20 0 GAADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)N3CCN(C(=O)N4CC[NH2+]CC4)CC3)[C@H]2C1 ZINC000629803324 1075791814 /nfs/dbraw/zinc/79/18/14/1075791814.db2.gz NBKBADRPBDMGIC-HOTGVXAUSA-N 2 0 392.504 -1.292 20 0 GAADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCN(C(=O)N4CC[NH2+]CC4)CC3)[C@@H]2C1 ZINC000629803327 1075791837 /nfs/dbraw/zinc/79/18/37/1075791837.db2.gz NBKBADRPBDMGIC-HZPDHXFCSA-N 2 0 392.504 -1.292 20 0 GAADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)N3CCN(C(=O)N4CC[NH2+]CC4)CC3)[C@@H]2C1 ZINC000629803329 1075791746 /nfs/dbraw/zinc/79/17/46/1075791746.db2.gz NBKBADRPBDMGIC-JKSUJKDBSA-N 2 0 392.504 -1.292 20 0 GAADRP O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000629806012 1075792637 /nfs/dbraw/zinc/79/26/37/1075792637.db2.gz RDUZJSRCMBFRAZ-LSDHHAIUSA-N 2 0 394.476 -2.567 20 0 GAADRP O=C(C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000629809193 1075793114 /nfs/dbraw/zinc/79/31/14/1075793114.db2.gz BZEJXIMIDXVHGW-INIZCTEOSA-N 2 0 390.488 -1.372 20 0 GAADRP O=C(C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000629809194 1075792939 /nfs/dbraw/zinc/79/29/39/1075792939.db2.gz BZEJXIMIDXVHGW-MRXNPFEDSA-N 2 0 390.488 -1.372 20 0 GAADRP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCN(C(=O)N4CC[NH2+]CC4)CC3)C2)C1 ZINC000629809506 1075792909 /nfs/dbraw/zinc/79/29/09/1075792909.db2.gz GPTRPFPILTZMBS-IBGZPJMESA-N 2 0 392.504 -1.290 20 0 GAADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCN(C(=O)N4CC[NH2+]CC4)CC3)C2)C1 ZINC000629809508 1075793033 /nfs/dbraw/zinc/79/30/33/1075793033.db2.gz GPTRPFPILTZMBS-LJQANCHMSA-N 2 0 392.504 -1.290 20 0 GAADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000629809789 1075793134 /nfs/dbraw/zinc/79/31/34/1075793134.db2.gz UEICHYVZTJISPD-HNNXBMFYSA-N 2 0 380.493 -1.292 20 0 GAADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000629809790 1075792971 /nfs/dbraw/zinc/79/29/71/1075792971.db2.gz UEICHYVZTJISPD-OAHLLOKOSA-N 2 0 380.493 -1.292 20 0 GAADRP C[NH+](C)CC1CCN(C(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC000629809898 1075793527 /nfs/dbraw/zinc/79/35/27/1075793527.db2.gz MQKWPIKRTVXFDX-UHFFFAOYSA-N 2 0 394.520 -1.044 20 0 GAADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCN(C(=O)N4CC[NH2+]CC4)CC3)C[C@@H]21 ZINC000629810513 1075793088 /nfs/dbraw/zinc/79/30/88/1075793088.db2.gz UDPZLRHLMKPKOG-CABCVRRESA-N 2 0 378.477 -1.682 20 0 GAADRP O=C(NCC[N@H+]1CC[C@H](O)C1)c1ccnc(C(=O)NCC[NH+]2CC[C@H](O)C2)c1 ZINC000629913545 1075794502 /nfs/dbraw/zinc/79/45/02/1075794502.db2.gz GCCWYMQHHJQIOD-HOTGVXAUSA-N 2 0 391.472 -1.326 20 0 GAADRP O=C(NCC[NH+]1CC[C@H](O)C1)c1cncc(C(=O)NCC[N@H+]2CC[C@H](O)C2)c1 ZINC000629916621 1075794516 /nfs/dbraw/zinc/79/45/16/1075794516.db2.gz AOWKVSKJIGCSGI-IRXDYDNUSA-N 2 0 391.472 -1.326 20 0 GAADRP O=C(NCC[N@H+]1CC[C@H](O)C1)c1ccc(C(=O)NCC[NH+]2CC[C@H](O)C2)nc1 ZINC000629916637 1075794485 /nfs/dbraw/zinc/79/44/85/1075794485.db2.gz BERAPWBKHAGNCT-HOTGVXAUSA-N 2 0 391.472 -1.326 20 0 GAADRP O=C(NCC[NH+]1CC[C@@H](O)C1)c1cccc(C(=O)NCC[N@H+]2CC[C@@H](O)C2)n1 ZINC000630026896 1075794938 /nfs/dbraw/zinc/79/49/38/1075794938.db2.gz VFJVJROHNFRBSP-HUUCEWRRSA-N 2 0 391.472 -1.326 20 0 GAADRP O=C(NCC[NH+]1CC[C@H](O)C1)c1cccc(C(=O)NCC[N@H+]2CC[C@H](O)C2)n1 ZINC000630029348 1074469229 /nfs/dbraw/zinc/46/92/29/1074469229.db2.gz VFJVJROHNFRBSP-GJZGRUSLSA-N 2 0 391.472 -1.326 20 0 GAADRP C[NH+](C)[C@H]1CCN(CCn2cc(CNS(=O)(=O)N3CC[NH2+]CC3)nn2)C1 ZINC000630586127 1075795991 /nfs/dbraw/zinc/79/59/91/1075795991.db2.gz FPZZMQBTMDNCQY-HNNXBMFYSA-N 2 0 386.526 -1.846 20 0 GAADRP C[NH+](C)[C@@H]1CCN(CCn2cc(CNS(=O)(=O)N3CC[NH2+]CC3)nn2)C1 ZINC000630586141 1075795935 /nfs/dbraw/zinc/79/59/35/1075795935.db2.gz FPZZMQBTMDNCQY-OAHLLOKOSA-N 2 0 386.526 -1.846 20 0 GAADRP O=S(=O)(NCc1cn(CCC[NH+]2CCSCC2)nn1)N1CC[NH2+]CC1 ZINC000630589946 530150162 /nfs/dbraw/zinc/15/01/62/530150162.db2.gz OGFBUFJVTKKWFU-UHFFFAOYSA-N 2 0 389.551 -1.043 20 0 GAADRP CN(CCC[NH+](C)C)CCn1cc(CNS(=O)(=O)N2CC[NH2+]CC2)nn1 ZINC000630611136 1075795881 /nfs/dbraw/zinc/79/58/81/1075795881.db2.gz AYMZPHWNCJITEP-UHFFFAOYSA-N 2 0 388.542 -1.599 20 0 GAADRP C[NH+](C)CC(=O)N1CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)CC1 ZINC000631758255 530175569 /nfs/dbraw/zinc/17/55/69/530175569.db2.gz WAJRJMUUDTUXMM-UHFFFAOYSA-N 2 0 375.539 -1.341 20 0 GAADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000631903042 530175205 /nfs/dbraw/zinc/17/52/05/530175205.db2.gz WXJGXHPDWXYKKP-HNNXBMFYSA-N 2 0 375.539 -1.259 20 0 GAADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000631903043 530175586 /nfs/dbraw/zinc/17/55/86/530175586.db2.gz WXJGXHPDWXYKKP-OAHLLOKOSA-N 2 0 375.539 -1.259 20 0 GAADRP C[NH+](C)CCN1CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)CC1=O ZINC000632508432 530176274 /nfs/dbraw/zinc/17/62/74/530176274.db2.gz DPSPAVABDPCLSQ-UHFFFAOYSA-N 2 0 375.539 -1.341 20 0 GAADRP O=C([C@H]1CC[C@@H]1C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000633589677 1075801215 /nfs/dbraw/zinc/80/12/15/1075801215.db2.gz NKLXQRFNFRBZGU-ARAZSQDJSA-N 2 0 392.500 -1.433 20 0 GAADRP O=C([C@@H]1CC[C@H]1C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000633589678 1075801060 /nfs/dbraw/zinc/80/10/60/1075801060.db2.gz NKLXQRFNFRBZGU-DWMDIXPDSA-N 2 0 392.500 -1.433 20 0 GAADRP O=C([C@@H]1CC[C@@H]1C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000633589679 1075801087 /nfs/dbraw/zinc/80/10/87/1075801087.db2.gz NKLXQRFNFRBZGU-PVWHLQNVSA-N 2 0 392.500 -1.433 20 0 GAADRP O=C(C[NH+]1C[C@@H]2COC[C@@H]2C1)N1CCN(C(=O)C[N@@H+]2C[C@@H]3COC[C@@H]3C2)CC1 ZINC000634783426 1075802826 /nfs/dbraw/zinc/80/28/26/1075802826.db2.gz ZPOSSUXPQPUSCV-USTZCAOPSA-N 2 0 392.500 -1.186 20 0 GAADRP CN(C)S(=O)(=O)N1CC(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000637143390 1075806077 /nfs/dbraw/zinc/80/60/77/1075806077.db2.gz IGMMJJQETPUPMG-UHFFFAOYSA-N 2 0 392.526 -2.455 20 0 GAADRP O=C(c1cn(C2CC[NH2+]CC2)nn1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638476827 1075807030 /nfs/dbraw/zinc/80/70/30/1075807030.db2.gz LHEWNDXIXQOADM-UHFFFAOYSA-N 2 0 376.465 -1.014 20 0 GAADRP O=C(c1cn(C[C@@H]2CCC[NH2+]2)nn1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638480557 1074114268 /nfs/dbraw/zinc/11/42/68/1074114268.db2.gz UUELQNWRKVGBJU-AWEZNQCLSA-N 2 0 376.465 -1.187 20 0 GAADRP O=C(c1cn(C[C@H]2CCC[NH2+]2)nn1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638480558 1075807088 /nfs/dbraw/zinc/80/70/88/1075807088.db2.gz UUELQNWRKVGBJU-CQSZACIVSA-N 2 0 376.465 -1.187 20 0 GAADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC1=O ZINC000638482374 1075806973 /nfs/dbraw/zinc/80/69/73/1075806973.db2.gz RBOPFKOOIUGSIT-HNNXBMFYSA-N 2 0 380.493 -1.434 20 0 GAADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC1=O ZINC000638482378 1075807075 /nfs/dbraw/zinc/80/70/75/1075807075.db2.gz RBOPFKOOIUGSIT-OAHLLOKOSA-N 2 0 380.493 -1.434 20 0 GAADRP O=C(c1cn([C@H]2CCC[NH2+]C2)nn1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638483980 1075807417 /nfs/dbraw/zinc/80/74/17/1075807417.db2.gz SRDAJNZKYZQVNZ-AWEZNQCLSA-N 2 0 376.465 -1.014 20 0 GAADRP O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638483981 1075807294 /nfs/dbraw/zinc/80/72/94/1075807294.db2.gz SRDAJNZKYZQVNZ-CQSZACIVSA-N 2 0 376.465 -1.014 20 0 GAADRP O=C(c1cnnn1C1CC[NH2+]CC1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638485276 1075807426 /nfs/dbraw/zinc/80/74/26/1075807426.db2.gz JGDOKCSOCKIYOH-UHFFFAOYSA-N 2 0 376.465 -1.014 20 0 GAADRP COc1cccc([C@H](CNC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)[NH+](C)C)c1 ZINC000642096245 1075810378 /nfs/dbraw/zinc/81/03/78/1075810378.db2.gz WAZPKVRMCRRJFD-INIZCTEOSA-N 2 0 391.472 -1.038 20 0 GAADRP COc1cccc([C@@H](CNC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)[NH+](C)C)c1 ZINC000642096251 1075810420 /nfs/dbraw/zinc/81/04/20/1075810420.db2.gz WAZPKVRMCRRJFD-MRXNPFEDSA-N 2 0 391.472 -1.038 20 0 GAADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000642957760 1075813067 /nfs/dbraw/zinc/81/30/67/1075813067.db2.gz GWPVIBAMCYBSKF-KKUMJFAQSA-N 2 0 395.504 -1.019 20 0 GAADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000642957761 1075813027 /nfs/dbraw/zinc/81/30/27/1075813027.db2.gz GWPVIBAMCYBSKF-RRFJBIMHSA-N 2 0 395.504 -1.019 20 0 GAADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000642957762 1075813115 /nfs/dbraw/zinc/81/31/15/1075813115.db2.gz GWPVIBAMCYBSKF-SOUVJXGZSA-N 2 0 395.504 -1.019 20 0 GAADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000642957763 1075813038 /nfs/dbraw/zinc/81/30/38/1075813038.db2.gz GWPVIBAMCYBSKF-ZNMIVQPWSA-N 2 0 395.504 -1.019 20 0 GAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000643509635 1075814725 /nfs/dbraw/zinc/81/47/25/1075814725.db2.gz BHBRXUGKHRPDDE-CABCVRRESA-N 2 0 383.493 -1.426 20 0 GAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000643509636 1075814685 /nfs/dbraw/zinc/81/46/85/1075814685.db2.gz BHBRXUGKHRPDDE-GJZGRUSLSA-N 2 0 383.493 -1.426 20 0 GAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000643509637 1075814668 /nfs/dbraw/zinc/81/46/68/1075814668.db2.gz BHBRXUGKHRPDDE-HUUCEWRRSA-N 2 0 383.493 -1.426 20 0 GAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000643509638 1075814594 /nfs/dbraw/zinc/81/45/94/1075814594.db2.gz BHBRXUGKHRPDDE-LSDHHAIUSA-N 2 0 383.493 -1.426 20 0 GAADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CC1 ZINC000643509692 1075814675 /nfs/dbraw/zinc/81/46/75/1075814675.db2.gz KIYPNPDUMBOWTP-CVEARBPZSA-N 2 0 377.489 -1.037 20 0 GAADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CC1 ZINC000643509693 1075814582 /nfs/dbraw/zinc/81/45/82/1075814582.db2.gz KIYPNPDUMBOWTP-HOTGVXAUSA-N 2 0 377.489 -1.037 20 0 GAADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000643509694 1074361797 /nfs/dbraw/zinc/36/17/97/1074361797.db2.gz KIYPNPDUMBOWTP-HZPDHXFCSA-N 2 0 377.489 -1.037 20 0 GAADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000643509695 1075814739 /nfs/dbraw/zinc/81/47/39/1075814739.db2.gz KIYPNPDUMBOWTP-JKSUJKDBSA-N 2 0 377.489 -1.037 20 0 GAADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000643509706 1075814697 /nfs/dbraw/zinc/81/46/97/1075814697.db2.gz LZIKJXBTCLICJA-CVEARBPZSA-N 2 0 377.489 -1.179 20 0 GAADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000643509709 1074361663 /nfs/dbraw/zinc/36/16/63/1074361663.db2.gz LZIKJXBTCLICJA-JKSUJKDBSA-N 2 0 377.489 -1.179 20 0 GAADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000643509786 1075814562 /nfs/dbraw/zinc/81/45/62/1075814562.db2.gz TVTLEKRAVYRZAN-CVEARBPZSA-N 2 0 377.489 -1.037 20 0 GAADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000643509787 1075814718 /nfs/dbraw/zinc/81/47/18/1075814718.db2.gz TVTLEKRAVYRZAN-HOTGVXAUSA-N 2 0 377.489 -1.037 20 0 GAADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000643509788 1075814605 /nfs/dbraw/zinc/81/46/05/1075814605.db2.gz TVTLEKRAVYRZAN-HZPDHXFCSA-N 2 0 377.489 -1.037 20 0 GAADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000643509789 1075814732 /nfs/dbraw/zinc/81/47/32/1075814732.db2.gz TVTLEKRAVYRZAN-JKSUJKDBSA-N 2 0 377.489 -1.037 20 0 GAADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CCO1 ZINC000643509795 1075814656 /nfs/dbraw/zinc/81/46/56/1075814656.db2.gz UZWILPMRLFXXHL-CABCVRRESA-N 2 0 381.477 -1.672 20 0 GAADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CCO1 ZINC000643509796 1075814573 /nfs/dbraw/zinc/81/45/73/1075814573.db2.gz UZWILPMRLFXXHL-GJZGRUSLSA-N 2 0 381.477 -1.672 20 0 GAADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CCO1 ZINC000643509797 1075814710 /nfs/dbraw/zinc/81/47/10/1075814710.db2.gz UZWILPMRLFXXHL-HUUCEWRRSA-N 2 0 381.477 -1.672 20 0 GAADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CCO1 ZINC000643509798 1075814613 /nfs/dbraw/zinc/81/46/13/1075814613.db2.gz UZWILPMRLFXXHL-LSDHHAIUSA-N 2 0 381.477 -1.672 20 0 GAADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)CC2)C1 ZINC000643512674 1074364160 /nfs/dbraw/zinc/36/41/60/1074364160.db2.gz RHCBSHYKELHEFQ-FGTMMUONSA-N 2 0 393.532 -1.082 20 0 GAADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)CC2)C1 ZINC000643512680 1074364118 /nfs/dbraw/zinc/36/41/18/1074364118.db2.gz RHCBSHYKELHEFQ-KSZLIROESA-N 2 0 393.532 -1.082 20 0 GAADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CCO1 ZINC000643542459 1073400838 /nfs/dbraw/zinc/40/08/38/1073400838.db2.gz ASUIUTOVANATHM-ZNMIVQPWSA-N 2 0 381.477 -1.674 20 0 GAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000643542466 1073400976 /nfs/dbraw/zinc/40/09/76/1073400976.db2.gz CCLHSLPHYNHUOQ-ARFHVFGLSA-N 2 0 377.489 -1.038 20 0 GAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000643542467 1073401088 /nfs/dbraw/zinc/40/10/88/1073401088.db2.gz CCLHSLPHYNHUOQ-BZUAXINKSA-N 2 0 377.489 -1.038 20 0 GAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000643542468 1073400962 /nfs/dbraw/zinc/40/09/62/1073400962.db2.gz CCLHSLPHYNHUOQ-HRCADAONSA-N 2 0 377.489 -1.038 20 0 GAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000643542469 1073400920 /nfs/dbraw/zinc/40/09/20/1073400920.db2.gz CCLHSLPHYNHUOQ-OWCLPIDISA-N 2 0 377.489 -1.038 20 0 GAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000643542519 1073400904 /nfs/dbraw/zinc/40/09/04/1073400904.db2.gz QBYSUSOFRZTDAS-ARFHVFGLSA-N 2 0 377.489 -1.181 20 0 GAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC1 ZINC000643542520 1073400887 /nfs/dbraw/zinc/40/08/87/1073400887.db2.gz QBYSUSOFRZTDAS-BZUAXINKSA-N 2 0 377.489 -1.181 20 0 GAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000643542521 1073400803 /nfs/dbraw/zinc/40/08/03/1073400803.db2.gz QBYSUSOFRZTDAS-HRCADAONSA-N 2 0 377.489 -1.181 20 0 GAADRP CN1CCN(C(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)[C@H](C[NH3+])C1 ZINC000643576988 1075815714 /nfs/dbraw/zinc/81/57/14/1075815714.db2.gz WSNQANCNEBGIBX-DLBZAZTESA-N 2 0 380.537 -1.284 20 0 GAADRP CN1CCN(C(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)[C@H](C[NH3+])C1 ZINC000643576989 1075815765 /nfs/dbraw/zinc/81/57/65/1075815765.db2.gz WSNQANCNEBGIBX-IAGOWNOFSA-N 2 0 380.537 -1.284 20 0 GAADRP CN1CCN(C(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)[C@@H](C[NH3+])C1 ZINC000643576990 1075815809 /nfs/dbraw/zinc/81/58/09/1075815809.db2.gz WSNQANCNEBGIBX-IRXDYDNUSA-N 2 0 380.537 -1.284 20 0 GAADRP CN1CCN(C(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)[C@@H](C[NH3+])C1 ZINC000643576991 1075815702 /nfs/dbraw/zinc/81/57/02/1075815702.db2.gz WSNQANCNEBGIBX-SJORKVTESA-N 2 0 380.537 -1.284 20 0 GAADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H](C(=O)N4CC[NH2+]CC4)C3)C[C@@H]21 ZINC000643593489 1075815589 /nfs/dbraw/zinc/81/55/89/1075815589.db2.gz GFJPHJOHLNSRSP-OAGGEKHMSA-N 2 0 377.489 -1.181 20 0 GAADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H](C(=O)N4CC[NH2+]CC4)C3)C[C@@H]21 ZINC000643593490 1075815679 /nfs/dbraw/zinc/81/56/79/1075815679.db2.gz GFJPHJOHLNSRSP-PMPSAXMXSA-N 2 0 377.489 -1.181 20 0 GAADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cn1 ZINC000645624703 1075817980 /nfs/dbraw/zinc/81/79/80/1075817980.db2.gz VQIOQQNSDYYQKM-DZGCQCFKSA-N 2 0 391.476 -1.338 20 0 GAADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cn1 ZINC000645624704 1075818040 /nfs/dbraw/zinc/81/80/40/1075818040.db2.gz VQIOQQNSDYYQKM-HIFRSBDPSA-N 2 0 391.476 -1.338 20 0 GAADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)cn1 ZINC000645624705 1075817999 /nfs/dbraw/zinc/81/79/99/1075817999.db2.gz VQIOQQNSDYYQKM-UKRRQHHQSA-N 2 0 391.476 -1.338 20 0 GAADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cn1 ZINC000645624706 1075818082 /nfs/dbraw/zinc/81/80/82/1075818082.db2.gz VQIOQQNSDYYQKM-ZFWWWQNUSA-N 2 0 391.476 -1.338 20 0 GAADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000646819926 1075822023 /nfs/dbraw/zinc/82/20/23/1075822023.db2.gz QPUNSKYCCLKSQE-CYBMUJFWSA-N 2 0 379.465 -1.038 20 0 GAADRP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000646819927 1075822003 /nfs/dbraw/zinc/82/20/03/1075822003.db2.gz QPUNSKYCCLKSQE-ZDUSSCGKSA-N 2 0 379.465 -1.038 20 0 GAADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000646820000 1075822011 /nfs/dbraw/zinc/82/20/11/1075822011.db2.gz SUMZSMGVKGJUGH-CYBMUJFWSA-N 2 0 379.465 -1.038 20 0 GAADRP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000646820001 1075821976 /nfs/dbraw/zinc/82/19/76/1075821976.db2.gz SUMZSMGVKGJUGH-ZDUSSCGKSA-N 2 0 379.465 -1.038 20 0 GAADRP CN(CCN1CCCS1(=O)=O)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000647558428 1073783652 /nfs/dbraw/zinc/78/36/52/1073783652.db2.gz JBZGZVZJJUSNHP-UHFFFAOYSA-N 2 0 391.538 -1.568 20 0 GAADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)[C@@]2(CC(=O)N3CCO[C@H]([C@H](C)[NH3+])C3)CC[NH2+]C2)CCO1 ZINC000647877117 1075826448 /nfs/dbraw/zinc/82/64/48/1075826448.db2.gz IVYLFSGHGWBEKJ-POORBHPNSA-N 3 0 397.520 -1.495 20 0 GAADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C[C@]2(C(=O)N3CCO[C@H]([C@H](C)[NH3+])C3)CC[NH2+]C2)CCO1 ZINC000647877118 1075826442 /nfs/dbraw/zinc/82/64/42/1075826442.db2.gz IVYLFSGHGWBEKJ-SIBFUHKCSA-N 3 0 397.520 -1.495 20 0 GAADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@]2(CC(=O)N3CCO[C@H]([C@H](C)[NH3+])C3)CC[NH2+]C2)CCO1 ZINC000647877119 1075826831 /nfs/dbraw/zinc/82/68/31/1075826831.db2.gz IVYLFSGHGWBEKJ-XHWCBRGXSA-N 3 0 397.520 -1.495 20 0 GAADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)[C@@]2(CC(=O)N3CCO[C@H]([C@H](C)[NH3+])C3)CC[NH2+]C2)CCO1 ZINC000647877120 1075826756 /nfs/dbraw/zinc/82/67/56/1075826756.db2.gz IVYLFSGHGWBEKJ-ZHEXZJMTSA-N 3 0 397.520 -1.495 20 0 GAADRP Cn1cc(CN(C(=O)C[NH2+]C[C@@H]2CCCO2)[C@@H]2CC[NH2+]C2)c(=O)n(C)c1=O ZINC000648117284 1074259427 /nfs/dbraw/zinc/25/94/27/1074259427.db2.gz QITJDZVSJBMZAG-CABCVRRESA-N 2 0 379.461 -1.457 20 0 GAADRP Cn1cc(CN(C(=O)C[NH2+]C[C@@H]2CCCO2)[C@H]2CC[NH2+]C2)c(=O)n(C)c1=O ZINC000648117285 1074259740 /nfs/dbraw/zinc/25/97/40/1074259740.db2.gz QITJDZVSJBMZAG-GJZGRUSLSA-N 2 0 379.461 -1.457 20 0 GAADRP Cn1cc(CN(C(=O)C[NH2+]C[C@H]2CCCO2)[C@@H]2CC[NH2+]C2)c(=O)n(C)c1=O ZINC000648117286 1074259963 /nfs/dbraw/zinc/25/99/63/1074259963.db2.gz QITJDZVSJBMZAG-HUUCEWRRSA-N 2 0 379.461 -1.457 20 0 GAADRP Cn1cc(CN(C(=O)C[NH2+]C[C@H]2CCCO2)[C@H]2CC[NH2+]C2)c(=O)n(C)c1=O ZINC000648117287 1075826790 /nfs/dbraw/zinc/82/67/90/1075826790.db2.gz QITJDZVSJBMZAG-LSDHHAIUSA-N 2 0 379.461 -1.457 20 0 GAADRP C[NH+](C)CCN1CCN(CC(O)CN2CCN(CC[NH+](C)C)C(=O)C2)CC1=O ZINC000649685535 1075844646 /nfs/dbraw/zinc/84/46/46/1075844646.db2.gz CLRWQOANROACEU-UHFFFAOYSA-N 2 0 398.552 -2.241 20 0 GAADRP C[NH+](C)CCN1CCN(CCCN2CCN(CC[NH+](C)C)C(=O)C2)CC1=O ZINC000649685596 1075844629 /nfs/dbraw/zinc/84/46/29/1075844629.db2.gz GBKKBJSEKVZUCN-UHFFFAOYSA-N 2 0 382.553 -1.212 20 0 GAADRP C[NH+](C)CCN1CCN(C/C=C/CN2CCN(CC[NH+](C)C)C(=O)C2)CC1=O ZINC000649685687 1075844557 /nfs/dbraw/zinc/84/45/57/1075844557.db2.gz IQHOXSJCHJQJAZ-AATRIKPKSA-N 2 0 394.564 -1.046 20 0 GAADRP C[NH+](C)CCN1CCN(C/C=C\CN2CCN(CC[NH+](C)C)C(=O)C2)CC1=O ZINC000649685688 1075844649 /nfs/dbraw/zinc/84/46/49/1075844649.db2.gz IQHOXSJCHJQJAZ-WAYWQWQTSA-N 2 0 394.564 -1.046 20 0 GAADRP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1=O ZINC000650360167 1075848672 /nfs/dbraw/zinc/84/86/72/1075848672.db2.gz RSRRDUOMSVHQCG-UHFFFAOYSA-N 2 0 396.492 -2.549 20 0 GAADRP C[NH+](C)CCN1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1=O ZINC000650878875 1075851163 /nfs/dbraw/zinc/85/11/63/1075851163.db2.gz DBAHOLBFSUCIQO-KRWDZBQOSA-N 2 0 396.536 -1.192 20 0 GAADRP C[NH+](C)CCN1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1=O ZINC000650878876 1073672890 /nfs/dbraw/zinc/67/28/90/1073672890.db2.gz DBAHOLBFSUCIQO-QGZVFWFLSA-N 2 0 396.536 -1.192 20 0 GAADRP C[NH+](C)CCN1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1=O ZINC000650891438 1075851561 /nfs/dbraw/zinc/85/15/61/1075851561.db2.gz LUMOBNNSETXJCQ-HNNXBMFYSA-N 2 0 382.509 -1.011 20 0 GAADRP C[NH+](C)CCN1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1=O ZINC000650891439 1075851652 /nfs/dbraw/zinc/85/16/52/1075851652.db2.gz LUMOBNNSETXJCQ-OAHLLOKOSA-N 2 0 382.509 -1.011 20 0 GAADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cn1 ZINC000651956683 1075862405 /nfs/dbraw/zinc/86/24/05/1075862405.db2.gz COEIZAULTUQUSR-UHFFFAOYSA-N 2 0 379.465 -1.384 20 0 GAADRP C[NH+](C)CCN1CCN(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC1=O ZINC000651958606 1075862692 /nfs/dbraw/zinc/86/26/92/1075862692.db2.gz JAZDHBZQSWORAU-UHFFFAOYSA-N 2 0 385.428 -1.140 20 0 GAADRP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)CC1=O ZINC000652391715 1073919771 /nfs/dbraw/zinc/91/97/71/1073919771.db2.gz IFEHQMIEKKZWBI-MRXNPFEDSA-N 2 0 395.504 -1.458 20 0 GAADRP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1=O ZINC000652394992 1075864436 /nfs/dbraw/zinc/86/44/36/1075864436.db2.gz VBROWOMWKOCTDU-UHFFFAOYSA-N 2 0 388.472 -1.037 20 0 GAADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652424624 1075865160 /nfs/dbraw/zinc/86/51/60/1075865160.db2.gz ZGICSORGFRZVSQ-INIZCTEOSA-N 2 0 397.520 -1.212 20 0 GAADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652424625 1075865152 /nfs/dbraw/zinc/86/51/52/1075865152.db2.gz ZGICSORGFRZVSQ-MRXNPFEDSA-N 2 0 397.520 -1.212 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652431520 1073921632 /nfs/dbraw/zinc/92/16/32/1073921632.db2.gz VHNGCBZXUHNVIU-UHFFFAOYSA-N 3 0 384.525 -1.829 20 0 GAADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000652440468 1075865088 /nfs/dbraw/zinc/86/50/88/1075865088.db2.gz WJFJSTVCJJTCEF-UHFFFAOYSA-N 2 0 397.520 -1.212 20 0 GAADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652443694 1073922560 /nfs/dbraw/zinc/92/25/60/1073922560.db2.gz RRBMSNBEAMNJMF-UHFFFAOYSA-N 2 0 396.536 -1.685 20 0 GAADRP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)CC1=O ZINC000652448015 1075865409 /nfs/dbraw/zinc/86/54/09/1075865409.db2.gz ODYZUZUKTZIGAK-UHFFFAOYSA-N 2 0 397.520 -1.476 20 0 GAADRP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCOC3(CC[NH+](C)CC3)C2)CC1=O ZINC000652505435 1075866459 /nfs/dbraw/zinc/86/64/59/1075866459.db2.gz RDBYYMFLYNSAKQ-UHFFFAOYSA-N 2 0 395.504 -1.458 20 0 GAADRP CCO[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C[C@H]1C[NH3+] ZINC000652664564 1075868970 /nfs/dbraw/zinc/86/89/70/1075868970.db2.gz JMEKNTZJZNJCNE-GDBMZVCRSA-N 2 0 397.520 -1.133 20 0 GAADRP CCO[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C[C@H]1C[NH3+] ZINC000652681735 1073949984 /nfs/dbraw/zinc/94/99/84/1073949984.db2.gz SHNBHBXGJCRDCF-RBSFLKMASA-N 2 0 383.493 -1.488 20 0 GAADRP CCO[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C[C@H]1C[NH3+] ZINC000652681736 1075869187 /nfs/dbraw/zinc/86/91/87/1075869187.db2.gz SHNBHBXGJCRDCF-RRFJBIMHSA-N 2 0 383.493 -1.488 20 0 GAADRP CCO[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@H]1C[NH3+] ZINC000652684240 1073951849 /nfs/dbraw/zinc/95/18/49/1073951849.db2.gz IWEZASMAADEASV-BZUAXINKSA-N 2 0 397.520 -1.133 20 0 GAADRP CCO[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C[C@H]1C[NH3+] ZINC000652684241 1073951774 /nfs/dbraw/zinc/95/17/74/1073951774.db2.gz IWEZASMAADEASV-OWCLPIDISA-N 2 0 397.520 -1.133 20 0 GAADRP CCO[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)C[NH+](CC)CC)CC2)C[C@H]1C[NH3+] ZINC000652728891 1074034619 /nfs/dbraw/zinc/03/46/19/1074034619.db2.gz GQXRHIBYXOTTLB-HZPDHXFCSA-N 2 0 397.520 -1.179 20 0 GAADRP CCO[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C[C@H]1C[NH3+] ZINC000652729115 1075870181 /nfs/dbraw/zinc/87/01/81/1075870181.db2.gz RYLYKTOTDGNZDM-HZPDHXFCSA-N 2 0 395.504 -1.425 20 0 GAADRP CCO[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C[C@H]1C[NH3+] ZINC000652731017 1074074068 /nfs/dbraw/zinc/07/40/68/1074074068.db2.gz ZHJCVWKATJPBSF-BZUAXINKSA-N 2 0 395.504 -1.426 20 0 GAADRP CCO[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C[C@H]1C[NH3+] ZINC000652731018 1074074512 /nfs/dbraw/zinc/07/45/12/1074074512.db2.gz ZHJCVWKATJPBSF-OWCLPIDISA-N 2 0 395.504 -1.426 20 0 GAADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000653357153 1074072475 /nfs/dbraw/zinc/07/24/75/1074072475.db2.gz IVHPMEVMCATCCT-INIZCTEOSA-N 2 0 397.520 -1.308 20 0 GAADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000653357154 1075879088 /nfs/dbraw/zinc/87/90/88/1075879088.db2.gz IVHPMEVMCATCCT-MRXNPFEDSA-N 2 0 397.520 -1.308 20 0 GAADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000653365067 1075879382 /nfs/dbraw/zinc/87/93/82/1075879382.db2.gz JBFKNSCTUFRFNO-UHFFFAOYSA-N 2 0 396.536 -1.639 20 0 GAADRP C[NH+](C)CCN1CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1=O ZINC000653370394 1074122272 /nfs/dbraw/zinc/12/22/72/1074122272.db2.gz MFVHOEVFDQCETL-UHFFFAOYSA-N 2 0 383.493 -1.553 20 0 GAADRP CN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000653371309 1075879365 /nfs/dbraw/zinc/87/93/65/1075879365.db2.gz HBIPIOVDSHCSEU-UHFFFAOYSA-N 2 0 396.536 -1.637 20 0 GAADRP C[NH+](C)CCN1CCN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1=O ZINC000653372598 1074123483 /nfs/dbraw/zinc/12/34/83/1074123483.db2.gz ORMIKNHZPSURDL-KRWDZBQOSA-N 2 0 385.534 -1.228 20 0 GAADRP C[NH+](C)CCN1CCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1=O ZINC000653372599 1075879767 /nfs/dbraw/zinc/87/97/67/1075879767.db2.gz ORMIKNHZPSURDL-QGZVFWFLSA-N 2 0 385.534 -1.228 20 0 GAADRP C[C@@H](CNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)C[NH+]1CCN(C)CC1 ZINC000653376484 1075879719 /nfs/dbraw/zinc/87/97/19/1075879719.db2.gz BWTLYZXRCCPINW-INIZCTEOSA-N 2 0 396.536 -1.782 20 0 GAADRP C[C@H](CNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)C[NH+]1CCN(C)CC1 ZINC000653376485 1075879649 /nfs/dbraw/zinc/87/96/49/1075879649.db2.gz BWTLYZXRCCPINW-MRXNPFEDSA-N 2 0 396.536 -1.782 20 0 GAADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000653380276 1075879711 /nfs/dbraw/zinc/87/97/11/1075879711.db2.gz MMCYUFQRVIKBIL-UHFFFAOYSA-N 2 0 383.493 -1.554 20 0 GAADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000653388424 1075879983 /nfs/dbraw/zinc/87/99/83/1075879983.db2.gz AOEUFTJHNUJBHJ-UHFFFAOYSA-N 2 0 397.520 -1.164 20 0 GAADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653388926 1075879991 /nfs/dbraw/zinc/87/99/91/1075879991.db2.gz PGUIDWHANOIIKE-HNNXBMFYSA-N 2 0 383.493 -1.554 20 0 GAADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653388927 1075880008 /nfs/dbraw/zinc/88/00/08/1075880008.db2.gz PGUIDWHANOIIKE-OAHLLOKOSA-N 2 0 383.493 -1.554 20 0 GAADRP C[NH+](C)CCN1CCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1=O ZINC000653402494 1075880740 /nfs/dbraw/zinc/88/07/40/1075880740.db2.gz ZRWJSXTWGJXOSA-UHFFFAOYSA-N 2 0 396.536 -1.639 20 0 GAADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CCCO1 ZINC000653417044 1074175777 /nfs/dbraw/zinc/17/57/77/1074175777.db2.gz MIQRAWVTCIEFDH-INIZCTEOSA-N 2 0 397.520 -1.164 20 0 GAADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CCCO1 ZINC000653417045 1075880886 /nfs/dbraw/zinc/88/08/86/1075880886.db2.gz MIQRAWVTCIEFDH-MRXNPFEDSA-N 2 0 397.520 -1.164 20 0 GAADRP C[NH+]1C[C@H]2CN(C(=O)CS(=O)(=O)CC(=O)N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)C[C@H]2C1 ZINC000655035987 1073411112 /nfs/dbraw/zinc/41/11/12/1073411112.db2.gz OGRJRHBEXVSPEN-GEEKYZPCSA-N 2 0 398.529 -1.559 20 0 GAADRP CC(CC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)CC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655295901 1073426136 /nfs/dbraw/zinc/42/61/36/1073426136.db2.gz PMQPNHLLISDKTM-WNRNVDISSA-N 2 0 394.516 -1.043 20 0 GAADRP C[C@@H](C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)[C@@H](C)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655296215 1073426208 /nfs/dbraw/zinc/42/62/08/1073426208.db2.gz VHPQIEIQMWTBHC-GVLSGGHMSA-N 2 0 394.516 -1.187 20 0 GAADRP C[C@H](C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)[C@H](C)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655296216 1073508252 /nfs/dbraw/zinc/50/82/52/1073508252.db2.gz VHPQIEIQMWTBHC-UXJCHEOYSA-N 2 0 394.516 -1.187 20 0 GAADRP C[C@@H](C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[C@H](C)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000655296217 1073426019 /nfs/dbraw/zinc/42/60/19/1073426019.db2.gz VHPQIEIQMWTBHC-YPLQCARHSA-N 2 0 394.516 -1.187 20 0 GAADRP O=C(N1CC[NH+]2C[C@H](O)C[C@H]2C1)C1(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CCC1 ZINC000655296779 1073426702 /nfs/dbraw/zinc/42/67/02/1073426702.db2.gz VPHOEDNDMNTCIV-MWDXBVQZSA-N 2 0 392.500 -1.289 20 0 GAADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656025273 1073507541 /nfs/dbraw/zinc/50/75/41/1073507541.db2.gz FJZLMLQZCQNJBL-XQQFMLRXSA-N 2 0 393.410 -1.784 20 0 GAADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656025274 1073507381 /nfs/dbraw/zinc/50/73/81/1073507381.db2.gz FJZLMLQZCQNJBL-YNEHKIRRSA-N 2 0 393.410 -1.784 20 0 GAADRP O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000656063751 1073514033 /nfs/dbraw/zinc/51/40/33/1073514033.db2.gz FUIARQJIVSZLNU-DLBZAZTESA-N 2 0 380.489 -1.165 20 0 GAADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656065601 1074790172 /nfs/dbraw/zinc/79/01/72/1074790172.db2.gz GKHVPBNZWQIBBG-DLBZAZTESA-N 2 0 381.521 -1.252 20 0 GAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656069679 1073514825 /nfs/dbraw/zinc/51/48/25/1073514825.db2.gz LEHMVDNSXRLYIN-JKSUJKDBSA-N 2 0 395.504 -1.724 20 0 GAADRP CN(C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000656069905 1073514989 /nfs/dbraw/zinc/51/49/89/1073514989.db2.gz SLKSELDXTMVANO-FGTMMUONSA-N 2 0 393.532 -1.109 20 0 GAADRP CN(C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000656069906 1073514943 /nfs/dbraw/zinc/51/49/43/1073514943.db2.gz SLKSELDXTMVANO-OKZBNKHCSA-N 2 0 393.532 -1.109 20 0 GAADRP Cn1cnnc1N1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000656069924 1073514694 /nfs/dbraw/zinc/51/46/94/1073514694.db2.gz TXRLRRSUQDBRAO-UHFFFAOYSA-N 2 0 380.497 -1.585 20 0 GAADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656070002 1073514725 /nfs/dbraw/zinc/51/47/25/1073514725.db2.gz WEAFQHRVEMVQFA-JKSUJKDBSA-N 2 0 393.488 -1.970 20 0 GAADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656070427 1073515113 /nfs/dbraw/zinc/51/51/13/1073515113.db2.gz BCZCMVJTRDPRFW-FGTMMUONSA-N 2 0 393.532 -1.108 20 0 GAADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656070429 1073515882 /nfs/dbraw/zinc/51/58/82/1073515882.db2.gz BCZCMVJTRDPRFW-OKZBNKHCSA-N 2 0 393.532 -1.108 20 0 GAADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CC[NH+]4C[C@H](O)C[C@H]4C3)CC2)C1 ZINC000656072068 1073515816 /nfs/dbraw/zinc/51/58/16/1073515816.db2.gz ZUSRGGDALKUGPW-IXDOHACOSA-N 2 0 379.505 -1.498 20 0 GAADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[NH+]4C[C@H](O)C[C@H]4C3)CC2)C1 ZINC000656072075 1073515596 /nfs/dbraw/zinc/51/55/96/1073515596.db2.gz ZUSRGGDALKUGPW-YESZJQIVSA-N 2 0 379.505 -1.498 20 0 GAADRP O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000656072641 1073515533 /nfs/dbraw/zinc/51/55/33/1073515533.db2.gz UJXFSNWUYOKRAC-DLBZAZTESA-N 2 0 380.489 -1.165 20 0 GAADRP O=C(C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656075525 1074790029 /nfs/dbraw/zinc/79/00/29/1074790029.db2.gz MWGSRWIFSHZHPZ-IXDOHACOSA-N 2 0 380.489 -1.165 20 0 GAADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656075968 1073516297 /nfs/dbraw/zinc/51/62/97/1073516297.db2.gz BWDASNDPNXGHJB-BHYGNILZSA-N 2 0 380.489 -1.025 20 0 GAADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656075969 1073516605 /nfs/dbraw/zinc/51/66/05/1073516605.db2.gz BWDASNDPNXGHJB-HYVNUMGLSA-N 2 0 380.489 -1.025 20 0 GAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656081246 1073518785 /nfs/dbraw/zinc/51/87/85/1073518785.db2.gz QUFPOPSTMAVJBI-ARFHVFGLSA-N 2 0 393.488 -1.971 20 0 GAADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656081252 1073518668 /nfs/dbraw/zinc/51/86/68/1073518668.db2.gz QUFPOPSTMAVJBI-XHSDSOJGSA-N 2 0 393.488 -1.971 20 0 GAADRP O=C(C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656083677 1073519298 /nfs/dbraw/zinc/51/92/98/1073519298.db2.gz MWGSRWIFSHZHPZ-YESZJQIVSA-N 2 0 380.489 -1.165 20 0 GAADRP O=C(C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656104156 1073520658 /nfs/dbraw/zinc/52/06/58/1073520658.db2.gz ISWWDINQRWAEPG-HRCADAONSA-N 2 0 393.488 -2.066 20 0 GAADRP O=C(C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656104157 1073520724 /nfs/dbraw/zinc/52/07/24/1073520724.db2.gz ISWWDINQRWAEPG-OWCLPIDISA-N 2 0 393.488 -2.066 20 0 GAADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656104830 1073521290 /nfs/dbraw/zinc/52/12/90/1073521290.db2.gz VWBPCTISOAHYJT-QLFBSQMISA-N 2 0 381.477 -1.890 20 0 GAADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656104836 1073521177 /nfs/dbraw/zinc/52/11/77/1073521177.db2.gz VWBPCTISOAHYJT-SOUVJXGZSA-N 2 0 381.477 -1.890 20 0 GAADRP COc1cnc(N2CC[NH+]3C[C@H](O)C[C@H]3C2)nc1N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656219187 1073534096 /nfs/dbraw/zinc/53/40/96/1073534096.db2.gz NDKHFNNHCLVWEJ-CAOSSQGBSA-N 2 0 390.488 -1.004 20 0 GAADRP COc1nc(N2CC[NH+]3C[C@H](O)C[C@H]3C2)nc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)n1 ZINC000656219235 1073533997 /nfs/dbraw/zinc/53/39/97/1073533997.db2.gz QWMZMEZGMWKTTO-BYNSBNAKSA-N 2 0 391.476 -1.609 20 0 GAADRP CNc1nc(N2CC[NH+]3C[C@H](O)C[C@H]3C2)nc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)n1 ZINC000656219448 1073533927 /nfs/dbraw/zinc/53/39/27/1073533927.db2.gz XTRPJBPISVHVGF-BYNSBNAKSA-N 2 0 390.492 -2.154 20 0 GAADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656301119 1073541962 /nfs/dbraw/zinc/54/19/62/1073541962.db2.gz YGHOIOAPTRJFTE-IXDOHACOSA-N 2 0 381.521 -1.346 20 0 GAADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656301122 1073542096 /nfs/dbraw/zinc/54/20/96/1073542096.db2.gz YGHOIOAPTRJFTE-YESZJQIVSA-N 2 0 381.521 -1.346 20 0 GAADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656307153 1074794928 /nfs/dbraw/zinc/79/49/28/1074794928.db2.gz MMNHGSOASCYUAW-QLFBSQMISA-N 2 0 381.477 -2.033 20 0 GAADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656307156 1073542130 /nfs/dbraw/zinc/54/21/30/1073542130.db2.gz MMNHGSOASCYUAW-SOUVJXGZSA-N 2 0 381.477 -2.033 20 0 GAADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656308969 1073542944 /nfs/dbraw/zinc/54/29/44/1073542944.db2.gz JSBOCNMPPPPMPL-ARFHVFGLSA-N 2 0 395.504 -1.677 20 0 GAADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656308970 1073542607 /nfs/dbraw/zinc/54/26/07/1073542607.db2.gz JSBOCNMPPPPMPL-XHSDSOJGSA-N 2 0 395.504 -1.677 20 0 GAADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)C2)CC1 ZINC000656316696 1073544151 /nfs/dbraw/zinc/54/41/51/1073544151.db2.gz TUQFVTZXIMSNDG-BHYGNILZSA-N 2 0 379.505 -1.452 20 0 GAADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)C2)CC1 ZINC000656316698 1073544321 /nfs/dbraw/zinc/54/43/21/1073544321.db2.gz TUQFVTZXIMSNDG-HYVNUMGLSA-N 2 0 379.505 -1.452 20 0 GAADRP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)ccn1 ZINC000656328885 1073545557 /nfs/dbraw/zinc/54/55/57/1073545557.db2.gz WURZITYSKMYWDO-JKSUJKDBSA-N 2 0 391.472 -1.084 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658536050 1073691794 /nfs/dbraw/zinc/69/17/94/1073691794.db2.gz MDVGKNYIOCCKBH-KRWDZBQOSA-N 3 0 383.537 -1.004 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658536073 1073691694 /nfs/dbraw/zinc/69/16/94/1073691694.db2.gz MDVGKNYIOCCKBH-QGZVFWFLSA-N 3 0 383.537 -1.004 20 0 GAADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000658569725 1074614346 /nfs/dbraw/zinc/61/43/46/1074614346.db2.gz CRJBFLKOPNSTEF-UHFFFAOYSA-N 2 0 381.481 -1.138 20 0 GAADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000658570830 1073696188 /nfs/dbraw/zinc/69/61/88/1073696188.db2.gz RGKBLOMRPVNBOO-UHFFFAOYSA-N 2 0 381.481 -1.138 20 0 GAADRP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1=O ZINC000658776107 1073733959 /nfs/dbraw/zinc/73/39/59/1073733959.db2.gz RPWYINNBUPATSB-INIZCTEOSA-N 2 0 395.504 -1.724 20 0 GAADRP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1=O ZINC000658776108 1073733751 /nfs/dbraw/zinc/73/37/51/1073733751.db2.gz RPWYINNBUPATSB-MRXNPFEDSA-N 2 0 395.504 -1.724 20 0 GAADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CCO1 ZINC000658776656 1073733909 /nfs/dbraw/zinc/73/39/09/1073733909.db2.gz ZCZWKERYXRWYBH-INIZCTEOSA-N 2 0 397.520 -1.212 20 0 GAADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CCO1 ZINC000658776657 1073733932 /nfs/dbraw/zinc/73/39/32/1073733932.db2.gz ZCZWKERYXRWYBH-MRXNPFEDSA-N 2 0 397.520 -1.212 20 0 GAADRP CN(CCC[NH+](C)C)CCNC(=O)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000659093784 1073782838 /nfs/dbraw/zinc/78/28/38/1073782838.db2.gz COEQVUGRHZLBDU-UHFFFAOYSA-N 2 0 392.508 -1.176 20 0 GAADRP CCS(=O)(=O)N1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000659318675 1073796966 /nfs/dbraw/zinc/79/69/66/1073796966.db2.gz UEFXAGWKFXUCRY-UHFFFAOYSA-N 2 0 391.538 -1.568 20 0 GAADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)C[C@@H]21 ZINC000659324703 1073797004 /nfs/dbraw/zinc/79/70/04/1073797004.db2.gz MYJBFQFURHNTIC-CVEARBPZSA-N 2 0 377.489 -1.085 20 0 GAADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659680031 1073803474 /nfs/dbraw/zinc/80/34/74/1073803474.db2.gz JKEMZSSUIBIDGG-CYBMUJFWSA-N 2 0 380.449 -1.270 20 0 GAADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659680032 1073804164 /nfs/dbraw/zinc/80/41/64/1073804164.db2.gz JKEMZSSUIBIDGG-ZDUSSCGKSA-N 2 0 380.449 -1.270 20 0 GAADRP C[NH+]1CCC(CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)(N2CCOCC2)CC1 ZINC000659683724 1073804114 /nfs/dbraw/zinc/80/41/14/1073804114.db2.gz AXWYOGYCRURJJI-UHFFFAOYSA-N 2 0 379.505 -1.233 20 0 GAADRP C[NH+]1CCC(CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)(N2CCOCC2)CC1 ZINC000659684329 1073804233 /nfs/dbraw/zinc/80/42/33/1073804233.db2.gz HUKRBBOBFPFTCU-UHFFFAOYSA-N 2 0 379.505 -1.151 20 0 GAADRP C[NH+]1CCC(CNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)(N2CCOCC2)CC1 ZINC000659684657 1073803785 /nfs/dbraw/zinc/80/37/85/1073803785.db2.gz KQAPEHBQZSHVDJ-HUUCEWRRSA-N 2 0 385.484 -1.203 20 0 GAADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659747315 1073807972 /nfs/dbraw/zinc/80/79/72/1073807972.db2.gz AVTMHEKDGSQZFT-CYBMUJFWSA-N 2 0 380.449 -1.174 20 0 GAADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659747316 1073808030 /nfs/dbraw/zinc/80/80/30/1073808030.db2.gz AVTMHEKDGSQZFT-ZDUSSCGKSA-N 2 0 380.449 -1.174 20 0 GAADRP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)CC1 ZINC000660993977 1073898626 /nfs/dbraw/zinc/89/86/26/1073898626.db2.gz RCSTXLWDABEFRC-ARFHVFGLSA-N 2 0 377.489 -1.086 20 0 GAADRP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)CC1 ZINC000660993978 1073898388 /nfs/dbraw/zinc/89/83/88/1073898388.db2.gz RCSTXLWDABEFRC-HRCADAONSA-N 2 0 377.489 -1.086 20 0 GAADRP O=C(C[NH+]1CC[C@@]2(O)C[C@H]2C1)N1CCN(C(=O)C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)CC1 ZINC000661713925 1073914841 /nfs/dbraw/zinc/91/48/41/1073914841.db2.gz WGZSTBFATXKPDT-XAMWDVODSA-N 2 0 392.500 -1.429 20 0 GAADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CCO1 ZINC000662954651 1073915908 /nfs/dbraw/zinc/91/59/08/1073915908.db2.gz MWSULMCJEFHFDA-CVEARBPZSA-N 2 0 397.520 -1.131 20 0 GAADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CCO1 ZINC000662954652 1073916040 /nfs/dbraw/zinc/91/60/40/1073916040.db2.gz MWSULMCJEFHFDA-HOTGVXAUSA-N 2 0 397.520 -1.131 20 0 GAADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CCO1 ZINC000662954653 1073915979 /nfs/dbraw/zinc/91/59/79/1073915979.db2.gz MWSULMCJEFHFDA-HZPDHXFCSA-N 2 0 397.520 -1.131 20 0 GAADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CCO1 ZINC000662954654 1073916055 /nfs/dbraw/zinc/91/60/55/1073916055.db2.gz MWSULMCJEFHFDA-JKSUJKDBSA-N 2 0 397.520 -1.131 20 0 GAADRP CN(CCC[NH+](C)C)CCNC(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000663887000 1073982159 /nfs/dbraw/zinc/98/21/59/1073982159.db2.gz BCKLFGMIKAHZEL-UHFFFAOYSA-N 2 0 392.570 -1.254 20 0 GAADRP CC1[C@H](C(=O)NCCN2CC[NH+](C)CC2)[C@H]1C(=O)NCCN1CC[NH+](C)CC1 ZINC000665771869 1074237351 /nfs/dbraw/zinc/23/73/51/1074237351.db2.gz UBQZTTMVPQJCPL-ROUUACIJSA-N 2 0 394.564 -1.404 20 0 GAADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000671981766 1074781463 /nfs/dbraw/zinc/78/14/63/1074781463.db2.gz UTDUMTIKVNOHSG-CABCVRRESA-N 2 0 383.493 -1.473 20 0 GAADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000671981767 1074781536 /nfs/dbraw/zinc/78/15/36/1074781536.db2.gz UTDUMTIKVNOHSG-GJZGRUSLSA-N 2 0 383.493 -1.473 20 0 GAADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000671981768 1074781418 /nfs/dbraw/zinc/78/14/18/1074781418.db2.gz UTDUMTIKVNOHSG-HUUCEWRRSA-N 2 0 383.493 -1.473 20 0 GAADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000671981769 1074781628 /nfs/dbraw/zinc/78/16/28/1074781628.db2.gz UTDUMTIKVNOHSG-LSDHHAIUSA-N 2 0 383.493 -1.473 20 0 GAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000672595975 1074798573 /nfs/dbraw/zinc/79/85/73/1074798573.db2.gz BREJQRLIZMOKBZ-CVEARBPZSA-N 2 0 394.520 -1.887 20 0 GAADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000672595976 1074798609 /nfs/dbraw/zinc/79/86/09/1074798609.db2.gz BREJQRLIZMOKBZ-HOTGVXAUSA-N 2 0 394.520 -1.887 20 0 GAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000672595977 1074798273 /nfs/dbraw/zinc/79/82/73/1074798273.db2.gz BREJQRLIZMOKBZ-HZPDHXFCSA-N 2 0 394.520 -1.887 20 0 GAADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000672595978 1074798948 /nfs/dbraw/zinc/79/89/48/1074798948.db2.gz BREJQRLIZMOKBZ-JKSUJKDBSA-N 2 0 394.520 -1.887 20 0 GAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000672596938 1074798894 /nfs/dbraw/zinc/79/88/94/1074798894.db2.gz IVIWGXCWUUGOBD-DLBZAZTESA-N 2 0 380.537 -1.413 20 0 GAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000672596939 1074799201 /nfs/dbraw/zinc/79/92/01/1074799201.db2.gz IVIWGXCWUUGOBD-IAGOWNOFSA-N 2 0 380.537 -1.413 20 0 GAADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000672596940 1074799410 /nfs/dbraw/zinc/79/94/10/1074799410.db2.gz IVIWGXCWUUGOBD-IRXDYDNUSA-N 2 0 380.537 -1.413 20 0 GAADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000672596941 1074799284 /nfs/dbraw/zinc/79/92/84/1074799284.db2.gz IVIWGXCWUUGOBD-SJORKVTESA-N 2 0 380.537 -1.413 20 0 GAADRP Cn1cc(S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c(=O)n(C)c1=O ZINC000673986388 1074848860 /nfs/dbraw/zinc/84/88/60/1074848860.db2.gz MVZUZTIVSCIZJN-UHFFFAOYSA-N 2 0 389.522 -1.022 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000741083322 637386401 /nfs/dbraw/zinc/38/64/01/637386401.db2.gz XPMRCQGQMZCTFB-UHFFFAOYSA-N 2 0 379.527 -1.217 20 0 GAADRP O=C(C[NH+]1C[C@@H]2C[C@]2(CO)C1)N1CCN(C(=O)C[N@H+]2C[C@@H]3C[C@]3(CO)C2)CC1 ZINC000782633269 1073744940 /nfs/dbraw/zinc/74/49/40/1073744940.db2.gz NKWREXAHESRQCI-XAMWDVODSA-N 2 0 392.500 -1.714 20 0 GAADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C[NH+]1CCN(C)CC1 ZINC000790195213 1075014924 /nfs/dbraw/zinc/01/49/24/1075014924.db2.gz LRKSVOQCOTUDFD-BRWVUGGUSA-N 2 0 381.521 -1.035 20 0 GAADRP C[C@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C[NH+]1CCN(C)CC1 ZINC000790195214 1075015078 /nfs/dbraw/zinc/01/50/78/1075015078.db2.gz LRKSVOQCOTUDFD-IKGGRYGDSA-N 2 0 381.521 -1.035 20 0 GAADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C[NH+]1CCN(C)CC1 ZINC000790195215 1075015063 /nfs/dbraw/zinc/01/50/63/1075015063.db2.gz LRKSVOQCOTUDFD-IXDOHACOSA-N 2 0 381.521 -1.035 20 0 GAADRP C[C@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C[NH+]1CCN(C)CC1 ZINC000790195216 1075015111 /nfs/dbraw/zinc/01/51/11/1075015111.db2.gz LRKSVOQCOTUDFD-ZACQAIPSSA-N 2 0 381.521 -1.035 20 0 GAADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000804066521 1073530290 /nfs/dbraw/zinc/53/02/90/1073530290.db2.gz BAJZXMXRQCUMFK-BZUAXINKSA-N 2 0 395.504 -1.331 20 0 GAADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000804066522 1073530356 /nfs/dbraw/zinc/53/03/56/1073530356.db2.gz BAJZXMXRQCUMFK-OAGGEKHMSA-N 2 0 395.504 -1.331 20 0 GAADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000804066523 1073530215 /nfs/dbraw/zinc/53/02/15/1073530215.db2.gz BAJZXMXRQCUMFK-OWCLPIDISA-N 2 0 395.504 -1.331 20 0 GAADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000804066524 1073529939 /nfs/dbraw/zinc/52/99/39/1073529939.db2.gz BAJZXMXRQCUMFK-PMPSAXMXSA-N 2 0 395.504 -1.331 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000806714027 1075027254 /nfs/dbraw/zinc/02/72/54/1075027254.db2.gz TZXXSOIBXSANGM-HNNXBMFYSA-N 2 0 386.493 -1.024 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000806714028 1075027308 /nfs/dbraw/zinc/02/73/08/1075027308.db2.gz TZXXSOIBXSANGM-OAHLLOKOSA-N 2 0 386.493 -1.024 20 0 GAADRP C[C@@H](CNC(=O)C1CN(C)CC[N@H+](C)C1)N(C)C(=O)C1CN(C)CC[NH+](C)C1 ZINC000823783465 1074906659 /nfs/dbraw/zinc/90/66/59/1074906659.db2.gz CAHHEWITRMFJBH-INIZCTEOSA-N 2 0 396.580 -1.064 20 0 GAADRP C[C@H](CNC(=O)C1CN(C)CC[N@H+](C)C1)N(C)C(=O)C1CN(C)CC[NH+](C)C1 ZINC000823783466 1074906579 /nfs/dbraw/zinc/90/65/79/1074906579.db2.gz CAHHEWITRMFJBH-MRXNPFEDSA-N 2 0 396.580 -1.064 20 0 GAADRP CCC(C)(C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000824297846 1075051547 /nfs/dbraw/zinc/05/15/47/1075051547.db2.gz ILDIJVFRZJOPBA-MWDXBVQZSA-N 2 0 394.516 -1.043 20 0 GAADRP O=C([C@@H]1C[C@@H]1C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000824304693 1075051434 /nfs/dbraw/zinc/05/14/34/1075051434.db2.gz ZRJNIKMEHRXKPZ-SJRVDFGRSA-N 2 0 378.473 -1.823 20 0 GAADRP CN1CC[NH+](C)CC(C(=O)NCCCCNC(=O)C2CN(C)CC[N@H+](C)C2)C1 ZINC000830242588 1073857095 /nfs/dbraw/zinc/85/70/95/1073857095.db2.gz NXVXSWMXUFPEQW-UHFFFAOYSA-N 2 0 396.580 -1.014 20 0 GAADRP CCOC(=O)[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC12COC2 ZINC000839285754 1073870730 /nfs/dbraw/zinc/87/07/30/1073870730.db2.gz GWRNAUWWVXMPAO-HNNXBMFYSA-N 2 0 398.504 -1.024 20 0 GAADRP CCOC(=O)[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC12COC2 ZINC000839285760 1073870584 /nfs/dbraw/zinc/87/05/84/1073870584.db2.gz GWRNAUWWVXMPAO-OAHLLOKOSA-N 2 0 398.504 -1.024 20 0 GAADRP COC(=O)[C@]12CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@H]1COCC2 ZINC000839287301 1073870534 /nfs/dbraw/zinc/87/05/34/1073870534.db2.gz QNOQIQWAWHYDRM-HNAYVOBHSA-N 2 0 398.504 -1.024 20 0 GAADRP C[NH+](C)CCN1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1=O ZINC000846734826 1075076871 /nfs/dbraw/zinc/07/68/71/1075076871.db2.gz IEIFFUXWGQXUIF-CABCVRRESA-N 2 0 381.477 -1.802 20 0 GAADRP C[NH+](C)CCN1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1=O ZINC000846734833 1075076920 /nfs/dbraw/zinc/07/69/20/1075076920.db2.gz IEIFFUXWGQXUIF-GJZGRUSLSA-N 2 0 381.477 -1.802 20 0 GAADRP C[NH+](C)CCN1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1=O ZINC000846734836 1075076972 /nfs/dbraw/zinc/07/69/72/1075076972.db2.gz IEIFFUXWGQXUIF-HUUCEWRRSA-N 2 0 381.477 -1.802 20 0 GAADRP C[NH+](C)CCN1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1=O ZINC000846734839 1075076851 /nfs/dbraw/zinc/07/68/51/1075076851.db2.gz IEIFFUXWGQXUIF-LSDHHAIUSA-N 2 0 381.477 -1.802 20 0 GAADRP Cc1nc(N2CC[NH+]3C[C@H](O)C[C@H]3C2)nc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)n1 ZINC000848765768 1075237487 /nfs/dbraw/zinc/23/74/87/1075237487.db2.gz IIJKNHGBJCYVPM-CAOSSQGBSA-N 2 0 375.477 -1.310 20 0 GAADRP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)N(CC[NH3+])CCO)C1 ZINC000851690689 1075442556 /nfs/dbraw/zinc/44/25/56/1075442556.db2.gz ALSYTQCLWUVTPT-KRWDZBQOSA-N 2 0 377.489 -1.302 20 0 GAADRP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)N(CC[NH3+])CCO)C1 ZINC000851690692 1075442536 /nfs/dbraw/zinc/44/25/36/1075442536.db2.gz ALSYTQCLWUVTPT-QGZVFWFLSA-N 2 0 377.489 -1.302 20 0 GAADRP NC(=O)CN1CCCN(c2cnc(N3CCCN(CC(N)=O)CC3)cn2)CC1 ZINC000853214114 1075445717 /nfs/dbraw/zinc/44/57/17/1075445717.db2.gz FEDSRMIZVQJHFM-UHFFFAOYSA-N 2 0 390.492 -1.529 20 0 GAADRP C[N@H+](CCNC(=O)C(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)C1CC1 ZINC000861740630 1075464973 /nfs/dbraw/zinc/46/49/73/1075464973.db2.gz UBMRIGMLRUQBER-CABCVRRESA-N 2 0 379.461 -1.020 20 0 GAADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861755411 1075464904 /nfs/dbraw/zinc/46/49/04/1075464904.db2.gz QPGYDEWSIOFVDF-CABCVRRESA-N 2 0 397.476 -1.536 20 0 GAADRP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)CS(=O)(=O)CC(=O)N3C[C@H]4[C@@H](C3)[C@@H]4[NH+](C)C)C[C@H]21 ZINC000861914320 1075465454 /nfs/dbraw/zinc/46/54/54/1075465454.db2.gz QFTQYINIOVJNND-ZLRGHILGSA-N 2 0 398.529 -1.562 20 0 GAADRP O=C(NCC[NH+]1CC[C@@H](O)C1)[C@@H]1CC[C@H](C(=O)NCC[N@H+]2CC[C@@H](O)C2)C1 ZINC000863318012 1075468616 /nfs/dbraw/zinc/46/86/16/1075468616.db2.gz RWTLZGAHZNAADV-YYIAUSFCSA-N 2 0 382.505 -1.232 20 0 GAADRP C[N@@H+]1CC[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 1075470450 /nfs/dbraw/zinc/47/04/50/1075470450.db2.gz UVKUWZRFCFPPJS-OJLVUWQFSA-N 2 0 391.472 -1.068 20 0 GAADRP O=C(NCC[NH+]1CC[C@H](O)C1)[C@@H]1CC[C@H](C(=O)NCC[N@H+]2CC[C@H](O)C2)C1 ZINC000863835141 1075470901 /nfs/dbraw/zinc/47/09/01/1075470901.db2.gz RWTLZGAHZNAADV-YVSFHVDLSA-N 2 0 382.505 -1.232 20 0 GAADRP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(F)(F)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000865934386 1075472273 /nfs/dbraw/zinc/47/22/73/1075472273.db2.gz RETLAROPYUOPHL-KBPBESRZSA-N 2 0 390.479 -1.654 20 0 GAADRP CN1CC[NH+](C)C[C@H]1CNC(=O)C(F)(F)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000865934388 1075472385 /nfs/dbraw/zinc/47/23/85/1075472385.db2.gz RETLAROPYUOPHL-ZIAGYGMSSA-N 2 0 390.479 -1.654 20 0 GAADRP O=C(N1CC[NH+]2C[C@H](O)C[C@H]2C1)C(F)(F)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000866020810 1075472304 /nfs/dbraw/zinc/47/23/04/1075472304.db2.gz PMLXFQAKQYSZIF-IGQOVBAYSA-N 2 0 388.415 -1.824 20 0 GAADRP COCCN1CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1 ZINC000867315157 1075417350 /nfs/dbraw/zinc/41/73/50/1075417350.db2.gz XDAZXTCKHNEYMH-IAGOWNOFSA-N 2 0 383.537 -1.025 20 0 GAADRP COCC(=O)N1CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1 ZINC000867327232 1075418216 /nfs/dbraw/zinc/41/82/16/1075418216.db2.gz MNIXRAQAYLZQLF-HZPDHXFCSA-N 2 0 397.520 -1.499 20 0 GAADRP CN(CCN1CCOCC1)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867437050 1075425739 /nfs/dbraw/zinc/42/57/39/1075425739.db2.gz JYACENZNAUUCPX-IAGOWNOFSA-N 2 0 383.537 -1.025 20 0 GAADRP CC(=O)NC[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCO1 ZINC000867482703 1075473765 /nfs/dbraw/zinc/47/37/65/1075473765.db2.gz CHPSICXULDNXBZ-BRWVUGGUSA-N 2 0 397.520 -1.452 20 0 GAADRP CC(=O)NC[C@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCO1 ZINC000867482704 1075473816 /nfs/dbraw/zinc/47/38/16/1075473816.db2.gz CHPSICXULDNXBZ-ZACQAIPSSA-N 2 0 397.520 -1.452 20 0 GAADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCN3CCOC[C@H]3C2)C[C@H]1C[NH+](C)C ZINC000867491712 1075473784 /nfs/dbraw/zinc/47/37/84/1075473784.db2.gz UMDQKBKKJTZZER-BRWVUGGUSA-N 2 0 381.521 -1.273 20 0 GAADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCN3CCOC[C@@H]3C2)C[C@H]1C[NH+](C)C ZINC000867491713 1075473836 /nfs/dbraw/zinc/47/38/36/1075473836.db2.gz UMDQKBKKJTZZER-ZACQAIPSSA-N 2 0 381.521 -1.273 20 0 GAADRP CNC(=O)[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCO1 ZINC000867570443 1075474182 /nfs/dbraw/zinc/47/41/82/1075474182.db2.gz FKGGIUUMCKSORM-KFWWJZLASA-N 2 0 383.493 -1.842 20 0 GAADRP CNC(=O)[C@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCO1 ZINC000867570445 1075474192 /nfs/dbraw/zinc/47/41/92/1075474192.db2.gz FKGGIUUMCKSORM-RBSFLKMASA-N 2 0 383.493 -1.842 20 0 GAADRP CN(C)C(=O)NCCN(C)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867578306 1075474127 /nfs/dbraw/zinc/47/41/27/1075474127.db2.gz MNVKSKZZJHCKDK-HUUCEWRRSA-N 2 0 384.525 -1.086 20 0 GAADRP CCS(=O)(=O)NCCS(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867588957 637485096 /nfs/dbraw/zinc/48/50/96/637485096.db2.gz KLZOCFMPCIQCTE-ZIAGYGMSSA-N 2 0 384.568 -1.073 20 0 GAADRP Cn1cc(S(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(=O)n(C)c1=O ZINC000867589956 1075474086 /nfs/dbraw/zinc/47/40/86/1075474086.db2.gz UKQOKELZAZCVFP-CHWSQXEVSA-N 2 0 387.506 -1.556 20 0 GAADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C[C@H]1C[NH+](C)C ZINC000867628221 1075474265 /nfs/dbraw/zinc/47/42/65/1075474265.db2.gz TXXLMANVZXCGAC-WCXIOVBPSA-N 3 0 381.521 -1.538 20 0 GAADRP C[C@H](O)CN1CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1 ZINC000867675646 1075474279 /nfs/dbraw/zinc/47/42/79/1075474279.db2.gz IQKRXYAOUPYRBJ-GVDBMIGSSA-N 2 0 383.537 -1.291 20 0 GAADRP O=C(NC[C@@H]1C[NH+]2CCN1CCC2)[C@@H](F)C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000868089011 1075475787 /nfs/dbraw/zinc/47/57/87/1075475787.db2.gz KCXXEYRYFIZMCT-BJWYYQGGSA-N 2 0 396.511 -1.663 20 0 GAADRP O=C(NC[C@H]1C[NH+]2CCN1CCC2)C(F)C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000868089014 1075475767 /nfs/dbraw/zinc/47/57/67/1075475767.db2.gz KCXXEYRYFIZMCT-HOTGVXAUSA-N 2 0 396.511 -1.663 20 0 GAADRP O=C(NC[C@@H]1C[NH+]2CCN1CCC2)C(F)C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000868089015 1075475678 /nfs/dbraw/zinc/47/56/78/1075475678.db2.gz KCXXEYRYFIZMCT-HZPDHXFCSA-N 2 0 396.511 -1.663 20 0 GAADRP O=C([C@@H](F)C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1)N1CC[C@@H]([NH+]2CC[C@@H](O)C2)C1 ZINC000868343203 1075475822 /nfs/dbraw/zinc/47/58/22/1075475822.db2.gz HBIFQJPNVVSYEO-KFESYUHLSA-N 2 0 398.479 -1.341 20 0 GAADRP O=C([C@@H](F)C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1)N1CC[C@@H]([NH+]2CC[C@H](O)C2)C1 ZINC000868343205 1075476242 /nfs/dbraw/zinc/47/62/42/1075476242.db2.gz HBIFQJPNVVSYEO-QEOTZNIISA-N 2 0 398.479 -1.341 20 0 GAADRP O=C(C(F)C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1)N1CC[C@H]([NH+]2CC[C@H](O)C2)C1 ZINC000868343206 1075476262 /nfs/dbraw/zinc/47/62/62/1075476262.db2.gz HBIFQJPNVVSYEO-VGWMRTNUSA-N 2 0 398.479 -1.341 20 0 GAADRP O=C([C@@H](F)C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1)N1CC[C@H]([NH+]2CC[C@@H](O)C2)C1 ZINC000868343207 1075476253 /nfs/dbraw/zinc/47/62/53/1075476253.db2.gz HBIFQJPNVVSYEO-VIQHNZTISA-N 2 0 398.479 -1.341 20 0 GAADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000868357639 1075476281 /nfs/dbraw/zinc/47/62/81/1075476281.db2.gz CTJPMGGUAQSZPR-KFWWJZLASA-N 2 0 379.461 -1.066 20 0 GAADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000868357640 1075476145 /nfs/dbraw/zinc/47/61/45/1075476145.db2.gz CTJPMGGUAQSZPR-ZNMIVQPWSA-N 2 0 379.461 -1.066 20 0 GAADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000868367725 1075476292 /nfs/dbraw/zinc/47/62/92/1075476292.db2.gz VLXQPQTZKDQIFV-KFWWJZLASA-N 2 0 379.461 -1.066 20 0 GAADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000868367726 1075476200 /nfs/dbraw/zinc/47/62/00/1075476200.db2.gz VLXQPQTZKDQIFV-ZNMIVQPWSA-N 2 0 379.461 -1.066 20 0 GAADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000868368468 1075476231 /nfs/dbraw/zinc/47/62/31/1075476231.db2.gz LPBVWPRAWDMSSI-BARDWOONSA-N 2 0 379.461 -1.068 20 0 GAADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000868368469 1075476238 /nfs/dbraw/zinc/47/62/38/1075476238.db2.gz LPBVWPRAWDMSSI-TUVASFSCSA-N 2 0 379.461 -1.068 20 0 GAADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000868368470 1075476278 /nfs/dbraw/zinc/47/62/78/1075476278.db2.gz LPBVWPRAWDMSSI-XQLPTFJDSA-N 2 0 379.461 -1.068 20 0 GAADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000868368471 1075476709 /nfs/dbraw/zinc/47/67/09/1075476709.db2.gz LPBVWPRAWDMSSI-YJNKXOJESA-N 2 0 379.461 -1.068 20 0 GAADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000868370785 1075476918 /nfs/dbraw/zinc/47/69/18/1075476918.db2.gz UQQJLPALCQVHSX-KFWWJZLASA-N 2 0 397.476 -1.584 20 0 GAADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000868370786 1075476930 /nfs/dbraw/zinc/47/69/30/1075476930.db2.gz UQQJLPALCQVHSX-ZNMIVQPWSA-N 2 0 397.476 -1.584 20 0 GAADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000868381589 1075476687 /nfs/dbraw/zinc/47/66/87/1075476687.db2.gz LXFUYCVBGQEBSV-KFWWJZLASA-N 2 0 379.461 -1.068 20 0 GAADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000868381590 1075476729 /nfs/dbraw/zinc/47/67/29/1075476729.db2.gz LXFUYCVBGQEBSV-ZNMIVQPWSA-N 2 0 379.461 -1.068 20 0 GAADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCN(C(=O)N4CC[NH2+]CC4)CC3)CC[C@@H]21 ZINC000868396661 1075477790 /nfs/dbraw/zinc/47/77/90/1075477790.db2.gz VJCLFEHHFANBPS-CVEARBPZSA-N 2 0 392.504 -1.292 20 0 GAADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCN(C(=O)N4CC[NH2+]CC4)CC3)CC[C@@H]21 ZINC000868396669 1075477743 /nfs/dbraw/zinc/47/77/43/1075477743.db2.gz VJCLFEHHFANBPS-HOTGVXAUSA-N 2 0 392.504 -1.292 20 0 GAADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCN(C(=O)N4CC[NH2+]CC4)CC3)CC[C@H]21 ZINC000868396672 1075477675 /nfs/dbraw/zinc/47/76/75/1075477675.db2.gz VJCLFEHHFANBPS-HZPDHXFCSA-N 2 0 392.504 -1.292 20 0 GAADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCN(C(=O)N4CC[NH2+]CC4)CC3)CC[C@H]21 ZINC000868396674 1075477728 /nfs/dbraw/zinc/47/77/28/1075477728.db2.gz VJCLFEHHFANBPS-JKSUJKDBSA-N 2 0 392.504 -1.292 20 0 GAADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C[C@H]1C[NH+](C)C ZINC000868397749 1075477769 /nfs/dbraw/zinc/47/77/69/1075477769.db2.gz BOGDXUJBGADMLM-KURKYZTESA-N 3 0 394.564 -1.310 20 0 GAADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C[C@H]1C[NH+](C)C ZINC000868397750 1075477670 /nfs/dbraw/zinc/47/76/70/1075477670.db2.gz BOGDXUJBGADMLM-KZNAEPCWSA-N 3 0 394.564 -1.310 20 0 GAADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C[C@H]1C[NH+](C)C ZINC000868397971 1075477702 /nfs/dbraw/zinc/47/77/02/1075477702.db2.gz HENDAMWKNXIICV-KURKYZTESA-N 3 0 394.564 -1.310 20 0 GAADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C[C@H]1C[NH+](C)C ZINC000868397972 1075477802 /nfs/dbraw/zinc/47/78/02/1075477802.db2.gz HENDAMWKNXIICV-KZNAEPCWSA-N 3 0 394.564 -1.310 20 0 GAADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)CC[C@@H]21 ZINC000868411650 1075477712 /nfs/dbraw/zinc/47/77/12/1075477712.db2.gz ZGALMYSTVWZHKI-CWVYHPPDSA-N 2 0 391.472 -1.068 20 0 GAADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)CC[C@H]21 ZINC000868411651 1075477688 /nfs/dbraw/zinc/47/76/88/1075477688.db2.gz ZGALMYSTVWZHKI-JKJDWNRSSA-N 2 0 391.472 -1.068 20 0 GAADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)CC[C@@H]21 ZINC000868411652 1075477719 /nfs/dbraw/zinc/47/77/19/1075477719.db2.gz ZGALMYSTVWZHKI-LJIZCISZSA-N 2 0 391.472 -1.068 20 0 GAADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)CC[C@H]21 ZINC000868411653 1075477778 /nfs/dbraw/zinc/47/77/78/1075477778.db2.gz ZGALMYSTVWZHKI-QCODTGAPSA-N 2 0 391.472 -1.068 20 0 GAADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CC[C@@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)C2)C1 ZINC000868412034 1075477738 /nfs/dbraw/zinc/47/77/38/1075477738.db2.gz JSSONXRHBQYDMD-BKEDOTJMSA-N 2 0 391.472 -1.066 20 0 GAADRP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CC[C@@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)C2)C1 ZINC000868412035 1075477752 /nfs/dbraw/zinc/47/77/52/1075477752.db2.gz JSSONXRHBQYDMD-CUYVQJCZSA-N 2 0 391.472 -1.066 20 0 GAADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CC[C@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)C2)C1 ZINC000868412036 1075477784 /nfs/dbraw/zinc/47/77/84/1075477784.db2.gz JSSONXRHBQYDMD-QCUYGVNKSA-N 2 0 391.472 -1.066 20 0 GAADRP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CC[C@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)C2)C1 ZINC000868412037 1075478217 /nfs/dbraw/zinc/47/82/17/1075478217.db2.gz JSSONXRHBQYDMD-YGTYGHESSA-N 2 0 391.472 -1.066 20 0 GAADRP O=C(C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000868412466 1075478240 /nfs/dbraw/zinc/47/82/40/1075478240.db2.gz XWPWSJWXOLKCSV-FPCVCCKLSA-N 2 0 389.456 -1.147 20 0 GAADRP O=C(C(=O)N1CC[C@H]([NH+]2CC=CC2)C1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000868412467 1075478229 /nfs/dbraw/zinc/47/82/29/1075478229.db2.gz XWPWSJWXOLKCSV-JJXSEGSLSA-N 2 0 389.456 -1.147 20 0 GAADRP O=C(C(=O)N1CC[C@H]([NH+]2CC=CC2)C1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000868412468 1075478281 /nfs/dbraw/zinc/47/82/81/1075478281.db2.gz XWPWSJWXOLKCSV-JONQDZQNSA-N 2 0 389.456 -1.147 20 0 GAADRP O=C(C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000868412469 1075478178 /nfs/dbraw/zinc/47/81/78/1075478178.db2.gz XWPWSJWXOLKCSV-QXSJWSMHSA-N 2 0 389.456 -1.147 20 0 GAADRP C[NH+](C)C[C@@H]1CN(C(=O)CN2CCN(S(C)(=O)=O)CC2)C[C@H]1C[NH+](C)C ZINC000870020113 1075479217 /nfs/dbraw/zinc/47/92/17/1075479217.db2.gz DFCQVRQKCUZGBK-HZPDHXFCSA-N 2 0 389.566 -1.239 20 0 GAADRP Cn1cnc(S(=O)(=O)NCC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000870020445 1075479174 /nfs/dbraw/zinc/47/91/74/1075479174.db2.gz QDNKZTZCQGXXEL-ZIAGYGMSSA-N 2 0 386.522 -1.104 20 0 GAADRP Cn1cc(S(=O)(=O)NCC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cn1 ZINC000870023921 1075479185 /nfs/dbraw/zinc/47/91/85/1075479185.db2.gz OINKQXGTLLKLNG-ZIAGYGMSSA-N 2 0 386.522 -1.104 20 0 GAADRP O=C(CCN1CCOCC1)NCC1(NC(=O)CCN2CCOCC2)COC1 ZINC000870198931 1075479696 /nfs/dbraw/zinc/47/96/96/1075479696.db2.gz FZVZWQMHGKEYLF-UHFFFAOYSA-N 2 0 384.477 -1.568 20 0 GAADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N1CCN(C(=O)C[NH+]3CCCC3)CC1)C2 ZINC000872190616 1075480777 /nfs/dbraw/zinc/48/07/77/1075480777.db2.gz RWISWTBGUINIMP-HNAYVOBHSA-N 2 0 377.489 -1.179 20 0 GAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000872192389 1075481178 /nfs/dbraw/zinc/48/11/78/1075481178.db2.gz VBIRGQDNXWOKGW-QMTMVMCOSA-N 2 0 377.489 -1.181 20 0 GAADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000872192390 1075481452 /nfs/dbraw/zinc/48/14/52/1075481452.db2.gz VBIRGQDNXWOKGW-YZVOILCLSA-N 2 0 377.489 -1.181 20 0 GAADRP C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1=O ZINC000872303354 1075481324 /nfs/dbraw/zinc/48/13/24/1075481324.db2.gz HCPHSPVOUIEUOB-BARDWOONSA-N 2 0 379.461 -1.210 20 0 GAADRP C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1=O ZINC000872303359 1075481291 /nfs/dbraw/zinc/48/12/91/1075481291.db2.gz HCPHSPVOUIEUOB-TUVASFSCSA-N 2 0 379.461 -1.210 20 0 GAADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1=O ZINC000872303361 1075481245 /nfs/dbraw/zinc/48/12/45/1075481245.db2.gz HCPHSPVOUIEUOB-XQLPTFJDSA-N 2 0 379.461 -1.210 20 0 GAADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1=O ZINC000872303363 1075481382 /nfs/dbraw/zinc/48/13/82/1075481382.db2.gz HCPHSPVOUIEUOB-YJNKXOJESA-N 2 0 379.461 -1.210 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN([S@@](C)(=N)=O)CC1 ZINC000872856258 637486841 /nfs/dbraw/zinc/48/68/41/637486841.db2.gz YGJWQZADYAKBHY-RUZDIDTESA-N 2 0 376.527 -1.326 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN([S@](C)(=N)=O)CC1 ZINC000872856259 637486721 /nfs/dbraw/zinc/48/67/21/637486721.db2.gz YGJWQZADYAKBHY-VWLOTQADSA-N 2 0 376.527 -1.326 20 0 GAADRP CN(C)S(=O)(=O)NCCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875637979 637487770 /nfs/dbraw/zinc/48/77/70/637487770.db2.gz LSUCILJIHQSZDL-ZIAGYGMSSA-N 2 0 378.543 -1.237 20 0 GAADRP CN(C)S(=O)(=O)N1CC(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000875887594 1075484528 /nfs/dbraw/zinc/48/45/28/1075484528.db2.gz GRFQTDQHGKBXRY-ZIAGYGMSSA-N 2 0 390.554 -1.142 20 0 GAADRP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@]23COCCN2C(=O)COC3)C[C@H]1C[NH+](C)C ZINC000876190837 1075484971 /nfs/dbraw/zinc/48/49/71/1075484971.db2.gz OASCWGXQKXPQDM-GPMSIDNRSA-N 2 0 397.520 -1.005 20 0 GAADRP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@@]23COCCN2C(=O)COC3)C[C@H]1C[NH+](C)C ZINC000876190840 1075485039 /nfs/dbraw/zinc/48/50/39/1075485039.db2.gz OASCWGXQKXPQDM-MDZRGWNJSA-N 2 0 397.520 -1.005 20 0 GAADRP C[C@@H](C(=O)NCCS(=O)(=O)N1CCN(C(=O)[C@H](C)[NH+](C)C)CC1)[NH+](C)C ZINC000878349315 1075486945 /nfs/dbraw/zinc/48/69/45/1075486945.db2.gz BZTXWUVNMOQSNV-KBPBESRZSA-N 2 0 391.538 -1.523 20 0 GAADRP C[C@H](C(=O)NCCS(=O)(=O)N1CCN(C(=O)[C@@H](C)[NH+](C)C)CC1)[NH+](C)C ZINC000878349316 1075486903 /nfs/dbraw/zinc/48/69/03/1075486903.db2.gz BZTXWUVNMOQSNV-ZIAGYGMSSA-N 2 0 391.538 -1.523 20 0 GAADRP CN1C(=O)[C@H]2C[NH+](CCOCC[N@H+]3C[C@@H]4C(=O)N(C)C(=O)[C@@H]4C3)C[C@H]2C1=O ZINC000879534244 1075487384 /nfs/dbraw/zinc/48/73/84/1075487384.db2.gz MXPQOGGNPCJDTE-KPWCQOOUSA-N 2 0 378.429 -1.904 20 0 GAADRP CN(C)S(=O)(=O)CCS(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000882471108 637489253 /nfs/dbraw/zinc/48/92/53/637489253.db2.gz JAYXATNIROQZCV-ZIAGYGMSSA-N 2 0 384.568 -1.121 20 0 GAADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CCC1 ZINC000884529107 1075508165 /nfs/dbraw/zinc/50/81/65/1075508165.db2.gz HEAWONMMKFZHJX-MCIONIFRSA-N 2 0 379.461 -1.020 20 0 GAADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CCC1 ZINC000884529108 1075508196 /nfs/dbraw/zinc/50/81/96/1075508196.db2.gz HEAWONMMKFZHJX-MJBXVCDLSA-N 2 0 379.461 -1.020 20 0 GAADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000884554919 1075508230 /nfs/dbraw/zinc/50/82/30/1075508230.db2.gz GIYFGVPBYSAUGE-BTAUDXDXSA-N 2 0 391.472 -1.021 20 0 GAADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000884554920 1075508148 /nfs/dbraw/zinc/50/81/48/1075508148.db2.gz GIYFGVPBYSAUGE-CHUNWDLHSA-N 2 0 391.472 -1.021 20 0 GAADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000884554921 1075508213 /nfs/dbraw/zinc/50/82/13/1075508213.db2.gz GIYFGVPBYSAUGE-JZYAIQKZSA-N 2 0 391.472 -1.021 20 0 GAADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000884554922 1075508276 /nfs/dbraw/zinc/50/82/76/1075508276.db2.gz GIYFGVPBYSAUGE-ZIRHEVKLSA-N 2 0 391.472 -1.021 20 0 GAADRP CC[N@H+](CCNC(=O)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1CC1 ZINC000884601386 1075508498 /nfs/dbraw/zinc/50/84/98/1075508498.db2.gz KBIPHLCUYYMTDA-KFWWJZLASA-N 2 0 379.461 -1.020 20 0 GAADRP CC[N@H+](CCNC(=O)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1CC1 ZINC000884601387 1075508415 /nfs/dbraw/zinc/50/84/15/1075508415.db2.gz KBIPHLCUYYMTDA-ZNMIVQPWSA-N 2 0 379.461 -1.020 20 0 GAADRP C[C@H](CNC(=O)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[N@H+](C)C1CC1 ZINC000884617735 1075508442 /nfs/dbraw/zinc/50/84/42/1075508442.db2.gz RUVLDNOKBWDVLY-BEAPCOKYSA-N 2 0 379.461 -1.021 20 0 GAADRP C[C@@H](CNC(=O)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[N@H+](C)C1CC1 ZINC000884617736 1075508431 /nfs/dbraw/zinc/50/84/31/1075508431.db2.gz RUVLDNOKBWDVLY-MHEUCROKSA-N 2 0 379.461 -1.021 20 0 GAADRP C[C@@H](CNC(=O)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[N@H+](C)C1CC1 ZINC000884617737 1075508467 /nfs/dbraw/zinc/50/84/67/1075508467.db2.gz RUVLDNOKBWDVLY-MYPMTAMASA-N 2 0 379.461 -1.021 20 0 GAADRP C[C@H](CNC(=O)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[N@H+](C)C1CC1 ZINC000884617738 1075508511 /nfs/dbraw/zinc/50/85/11/1075508511.db2.gz RUVLDNOKBWDVLY-NGFQHRJXSA-N 2 0 379.461 -1.021 20 0 GAADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000884631550 1075508422 /nfs/dbraw/zinc/50/84/22/1075508422.db2.gz NZVFTJFBFMTSEH-FPCVCCKLSA-N 2 0 391.472 -1.020 20 0 GAADRP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000884631551 1075508412 /nfs/dbraw/zinc/50/84/12/1075508412.db2.gz NZVFTJFBFMTSEH-JJXSEGSLSA-N 2 0 391.472 -1.020 20 0 GAADRP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000884631552 1075508480 /nfs/dbraw/zinc/50/84/80/1075508480.db2.gz NZVFTJFBFMTSEH-JONQDZQNSA-N 2 0 391.472 -1.020 20 0 GAADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000884631553 1075508706 /nfs/dbraw/zinc/50/87/06/1075508706.db2.gz NZVFTJFBFMTSEH-QXSJWSMHSA-N 2 0 391.472 -1.020 20 0 GAADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)C[C@H]1C[NH+](C)C ZINC000884676065 1075508686 /nfs/dbraw/zinc/50/86/86/1075508686.db2.gz AXOZZDPEKISCCM-IAGOWNOFSA-N 3 0 382.553 -1.404 20 0 GAADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C[C@H]1C[NH+](C)C ZINC000884679382 1075508858 /nfs/dbraw/zinc/50/88/58/1075508858.db2.gz GKKCEKPMSLFKSY-HUUCEWRRSA-N 3 0 382.509 -2.268 20 0 GAADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000884787347 1075508786 /nfs/dbraw/zinc/50/87/86/1075508786.db2.gz OQTHGRATYKVRPT-BARDWOONSA-N 2 0 379.461 -1.020 20 0 GAADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000884787348 1075509060 /nfs/dbraw/zinc/50/90/60/1075509060.db2.gz OQTHGRATYKVRPT-TUVASFSCSA-N 2 0 379.461 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20 0 GAADRP C[C@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[NH+]2C)CCN1C(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900708166 1073431925 /nfs/dbraw/zinc/43/19/25/1073431925.db2.gz AORCVCWJWDGRAP-IJCKYZCQSA-N 2 0 382.505 -1.044 20 0 GAADRP C[C@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[NH+]2C)CCN1C(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900708167 1073431839 /nfs/dbraw/zinc/43/18/39/1073431839.db2.gz AORCVCWJWDGRAP-MXJLVENISA-N 2 0 382.505 -1.044 20 0 GAADRP C[C@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[NH+]2C)CCN1C(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900708168 1073431717 /nfs/dbraw/zinc/43/17/17/1073431717.db2.gz AORCVCWJWDGRAP-UNTXSKPGSA-N 2 0 382.505 -1.044 20 0 GAADRP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N1CCCN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900824393 1073433787 /nfs/dbraw/zinc/43/37/87/1073433787.db2.gz LBHJREJAHHHXFE-FDCRZUCXSA-N 2 0 382.505 -1.043 20 0 GAADRP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N1CCCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900824397 1073433641 /nfs/dbraw/zinc/43/36/41/1073433641.db2.gz LBHJREJAHHHXFE-OHDICMOHSA-N 2 0 382.505 -1.043 20 0 GAADRP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N1CCCN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900824399 1073434019 /nfs/dbraw/zinc/43/40/19/1073434019.db2.gz LBHJREJAHHHXFE-RGCFKVTRSA-N 2 0 382.505 -1.043 20 0 GAADRP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900824400 1073433928 /nfs/dbraw/zinc/43/39/28/1073433928.db2.gz LBHJREJAHHHXFE-WTLGNFPFSA-N 2 0 382.505 -1.043 20 0 GAADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC(=O)N1CCN(CC(=O)N(C)C)CC1)C2 ZINC000903493754 1073448471 /nfs/dbraw/zinc/44/84/71/1073448471.db2.gz WLZJVMMVCPNVIO-KHYOSLBOSA-N 2 0 395.504 -1.569 20 0 GAADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C2 ZINC000903738477 1073449919 /nfs/dbraw/zinc/44/99/19/1073449919.db2.gz ZMHPDKPCQUOXNA-KHYOSLBOSA-N 3 0 397.520 -1.323 20 0 GAADRP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1)N1CCN2CCOC[C@H]2C1 ZINC000903744797 1073450844 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/nfs/dbraw/zinc/45/16/59/1074451659.db2.gz HSTUMNADDJALHX-BEFAXECRSA-N 2 0 392.504 -1.434 20 0 GAADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N3CC[C@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)C[C@]2(C)C1 ZINC000904960400 1074451647 /nfs/dbraw/zinc/45/16/47/1074451647.db2.gz XAIBAKHDLSIRHS-GELUBGBASA-N 2 0 391.472 -1.210 20 0 GAADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)C[C@]2(C)C1 ZINC000904960402 1074451712 /nfs/dbraw/zinc/45/17/12/1074451712.db2.gz XAIBAKHDLSIRHS-SXPCIFIFSA-N 2 0 391.472 -1.210 20 0 GAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N(C)C2(C[NH3+])CCOCC2)CC1 ZINC000904971379 1074450932 /nfs/dbraw/zinc/45/09/32/1074450932.db2.gz QPYHTEGGSQQZEE-UHFFFAOYSA-N 2 0 397.520 -1.035 20 0 GAADRP CN(C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)C1(C[NH3+])CCOCC1 ZINC000904971986 1074451061 /nfs/dbraw/zinc/45/10/61/1074451061.db2.gz SLUOEISFOZACHQ-HNNXBMFYSA-N 2 0 395.504 -1.282 20 0 GAADRP CN(C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)C1(C[NH3+])CCOCC1 ZINC000904972005 1074451039 /nfs/dbraw/zinc/45/10/39/1074451039.db2.gz SLUOEISFOZACHQ-OAHLLOKOSA-N 2 0 395.504 -1.282 20 0 GAADRP CN(C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C1(C[NH3+])CCOCC1 ZINC000904972078 1074451022 /nfs/dbraw/zinc/45/10/22/1074451022.db2.gz TXCHAVPEKYACNG-UHFFFAOYSA-N 2 0 395.504 -1.281 20 0 GAADRP O=C(C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000904986758 1074453599 /nfs/dbraw/zinc/45/35/99/1074453599.db2.gz LMFHALBZRKRLJL-BBWFWOEESA-N 2 0 379.505 -1.450 20 0 GAADRP O=C(C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000904986759 1074453444 /nfs/dbraw/zinc/45/34/44/1074453444.db2.gz LMFHALBZRKRLJL-BRWVUGGUSA-N 2 0 379.505 -1.450 20 0 GAADRP O=C(C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000904986760 1074453415 /nfs/dbraw/zinc/45/34/15/1074453415.db2.gz LMFHALBZRKRLJL-GVDBMIGSSA-N 2 0 379.505 -1.450 20 0 GAADRP O=C(C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000904986761 1074453511 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/nfs/dbraw/zinc/45/16/08/1074451608.db2.gz PFSNICOAUMGYAR-INIZCTEOSA-N 2 0 397.520 -1.164 20 0 GAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2CCOC)CC1 ZINC000904996372 1074451584 /nfs/dbraw/zinc/45/15/84/1074451584.db2.gz PFSNICOAUMGYAR-MRXNPFEDSA-N 2 0 397.520 -1.164 20 0 GAADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000904996925 1074451553 /nfs/dbraw/zinc/45/15/53/1074451553.db2.gz RYGZORPVUGEZPW-CVEARBPZSA-N 2 0 395.504 -1.412 20 0 GAADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000904996934 1074451677 /nfs/dbraw/zinc/45/16/77/1074451677.db2.gz RYGZORPVUGEZPW-HOTGVXAUSA-N 2 0 395.504 -1.412 20 0 GAADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000904996936 1074451635 /nfs/dbraw/zinc/45/16/35/1074451635.db2.gz RYGZORPVUGEZPW-HZPDHXFCSA-N 2 0 395.504 -1.412 20 0 GAADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000904996937 1074451719 /nfs/dbraw/zinc/45/17/19/1074451719.db2.gz RYGZORPVUGEZPW-JKSUJKDBSA-N 2 0 395.504 -1.412 20 0 GAADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000904999931 1074452257 /nfs/dbraw/zinc/45/22/57/1074452257.db2.gz ZWMUNYBWVGLSPF-INIZCTEOSA-N 2 0 395.504 -1.410 20 0 GAADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000904999932 1074452316 /nfs/dbraw/zinc/45/23/16/1074452316.db2.gz ZWMUNYBWVGLSPF-MRXNPFEDSA-N 2 0 395.504 -1.410 20 0 GAADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000905014101 1074452903 /nfs/dbraw/zinc/45/29/03/1074452903.db2.gz IEHCLTXGGKYTLO-HNNXBMFYSA-N 2 0 381.477 -1.800 20 0 GAADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000905014105 1074452746 /nfs/dbraw/zinc/45/27/46/1074452746.db2.gz IEHCLTXGGKYTLO-OAHLLOKOSA-N 2 0 381.477 -1.800 20 0 GAADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000905014440 1074452892 /nfs/dbraw/zinc/45/28/92/1074452892.db2.gz JOKXJZGSNNKITN-KRWDZBQOSA-N 2 0 381.521 -1.081 20 0 GAADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000905014441 1074452727 /nfs/dbraw/zinc/45/27/27/1074452727.db2.gz JOKXJZGSNNKITN-QGZVFWFLSA-N 2 0 381.521 -1.081 20 0 GAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2COC)CC1 ZINC000905015259 1074452942 /nfs/dbraw/zinc/45/29/42/1074452942.db2.gz NTUKQLNGBSRXLQ-HNNXBMFYSA-N 2 0 383.493 -1.554 20 0 GAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2COC)CC1 ZINC000905015260 1074452873 /nfs/dbraw/zinc/45/28/73/1074452873.db2.gz NTUKQLNGBSRXLQ-OAHLLOKOSA-N 2 0 383.493 -1.554 20 0 GAADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000905020986 1074454116 /nfs/dbraw/zinc/45/41/16/1074454116.db2.gz BVPJMOZQXKMKMK-IKGGRYGDSA-N 2 0 381.521 -1.082 20 0 GAADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000905020987 1074454222 /nfs/dbraw/zinc/45/42/22/1074454222.db2.gz BVPJMOZQXKMKMK-IXDOHACOSA-N 2 0 381.521 -1.082 20 0 GAADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000905020988 1074454916 /nfs/dbraw/zinc/45/49/16/1074454916.db2.gz BVPJMOZQXKMKMK-ULQDDVLXSA-N 2 0 381.521 -1.082 20 0 GAADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000905020989 1074454868 /nfs/dbraw/zinc/45/48/68/1074454868.db2.gz BVPJMOZQXKMKMK-YESZJQIVSA-N 2 0 381.521 -1.082 20 0 GAADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000905025013 1074454818 /nfs/dbraw/zinc/45/48/18/1074454818.db2.gz YFEJAHJVWUJEAW-CABCVRRESA-N 2 0 381.477 -1.802 20 0 GAADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000905025020 1074454947 /nfs/dbraw/zinc/45/49/47/1074454947.db2.gz YFEJAHJVWUJEAW-GJZGRUSLSA-N 2 0 381.477 -1.802 20 0 GAADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000905025022 1074454882 /nfs/dbraw/zinc/45/48/82/1074454882.db2.gz YFEJAHJVWUJEAW-HUUCEWRRSA-N 2 0 381.477 -1.802 20 0 GAADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000905025024 1074454910 /nfs/dbraw/zinc/45/49/10/1074454910.db2.gz YFEJAHJVWUJEAW-LSDHHAIUSA-N 2 0 381.477 -1.802 20 0 GAADRP CN(Cc1ccccc1)C(=O)CNC(=O)C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000905581804 1074455930 /nfs/dbraw/zinc/45/59/30/1074455930.db2.gz XMQAIFVVJLVQTH-GOSISDBHSA-N 2 0 391.516 -1.041 20 0 GAADRP CN(Cc1ccccc1)C(=O)CNC(=O)C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000905581815 1074456171 /nfs/dbraw/zinc/45/61/71/1074456171.db2.gz XMQAIFVVJLVQTH-SFHVURJKSA-N 2 0 391.516 -1.041 20 0 GAADRP CC[C@H](CNC(=O)C1CN(C)CC[N@H+](C)C1)NC(=O)C1CN(C)CC[NH+](C)C1 ZINC000906570987 1074462117 /nfs/dbraw/zinc/46/21/17/1074462117.db2.gz KDIGHNTUJALHRZ-GOSISDBHSA-N 2 0 396.580 -1.016 20 0 GAADRP CC[C@@H](CNC(=O)C1CN(C)CC[N@H+](C)C1)NC(=O)C1CN(C)CC[NH+](C)C1 ZINC000906570988 1074462004 /nfs/dbraw/zinc/46/20/04/1074462004.db2.gz KDIGHNTUJALHRZ-SFHVURJKSA-N 2 0 396.580 -1.016 20 0 GAADRP CN(CCN(C)C(=O)C1CN(C)CC[N@H+](C)C1)C(=O)C1CN(C)CC[NH+](C)C1 ZINC000907165655 1074463498 /nfs/dbraw/zinc/46/34/98/1074463498.db2.gz AFNCMGIMDSHZFI-UHFFFAOYSA-N 2 0 396.580 -1.110 20 0 GAADRP CN1CC[NH+](C)CC(C(=O)N[C@H](CO)CNC(=O)C2CN(C)CC[N@H+](C)C2)C1 ZINC000907350499 1074463930 /nfs/dbraw/zinc/46/39/30/1074463930.db2.gz FDBIJDAUPBPLSR-KRWDZBQOSA-N 2 0 398.552 -2.434 20 0 GAADRP CCN(CCNC(=O)C1CN(C)CC[N@H+](C)C1)C(=O)C1CN(C)CC[NH+](C)C1 ZINC000907575933 1074465068 /nfs/dbraw/zinc/46/50/68/1074465068.db2.gz WTYRGMRBESKNJC-UHFFFAOYSA-N 2 0 396.580 -1.062 20 0 GAADRP CN(CCNC(=O)C1CN(C)CC[N@H+](C)C1)C(=O)C1CN(C)CC[NH+](C)C1 ZINC000907605335 1074465213 /nfs/dbraw/zinc/46/52/13/1074465213.db2.gz LOJWFMRHTZGGCP-UHFFFAOYSA-N 2 0 382.553 -1.452 20 0 GAADRP C[C@H](NC(=O)C1CN(C)CC[NH+](C)C1)[C@H](C)NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000907715399 1074466453 /nfs/dbraw/zinc/46/64/53/1074466453.db2.gz HVTDYQPNESWIIS-HOTGVXAUSA-N 2 0 396.580 -1.017 20 0 GAADRP C[C@@H](NC(=O)C1CN(C)CC[NH+](C)C1)[C@@H](C)NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000907715402 1074466398 /nfs/dbraw/zinc/46/63/98/1074466398.db2.gz HVTDYQPNESWIIS-HZPDHXFCSA-N 2 0 396.580 -1.017 20 0 GAADRP C[C@@H](NC(=O)C1CN(C)CC[N@H+](C)C1)[C@H](C)NC(=O)C1CN(C)CC[NH+](C)C1 ZINC000907715404 1074466443 /nfs/dbraw/zinc/46/64/43/1074466443.db2.gz HVTDYQPNESWIIS-IYBDPMFKSA-N 2 0 396.580 -1.017 20 0 GAADRP CN1CC[NH+](C)CC(C(=O)NC2(CNC(=O)C3CN(C)CC[N@H+](C)C3)CC2)C1 ZINC000907794916 1074467188 /nfs/dbraw/zinc/46/71/88/1074467188.db2.gz USGINHNFJPZUED-UHFFFAOYSA-N 2 0 394.564 -1.262 20 0 GAADRP CCN(C(=O)[C@]1(C)C[C@H](O)C[NH+]1C)C1CN(C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)C1 ZINC000907881176 1074467147 /nfs/dbraw/zinc/46/71/47/1074467147.db2.gz CXMPJDAZMTZHTN-LNMJFAINSA-N 2 0 382.505 -1.044 20 0 GAADRP CCN(C(=O)[C@]1(C)C[C@H](O)C[NH+]1C)C1CN(C(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)C1 ZINC000907881177 1074467202 /nfs/dbraw/zinc/46/72/02/1074467202.db2.gz CXMPJDAZMTZHTN-OHQAAIJDSA-N 2 0 382.505 -1.044 20 0 GAADRP CCN(C(=O)[C@]1(C)C[C@H](O)C[NH+]1C)C1CN(C(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)C1 ZINC000907881178 1074467024 /nfs/dbraw/zinc/46/70/24/1074467024.db2.gz CXMPJDAZMTZHTN-PDWMJMLSSA-N 2 0 382.505 -1.044 20 0 GAADRP CCN(C(=O)[C@]1(C)C[C@H](O)C[NH+]1C)C1CN(C(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)C1 ZINC000907881179 1074467132 /nfs/dbraw/zinc/46/71/32/1074467132.db2.gz CXMPJDAZMTZHTN-SAKMYQHLSA-N 2 0 382.505 -1.044 20 0 GAADRP CN1CC[NH+](C)CC(C(=O)NCCCNC(=O)C2CN(C)CC[N@H+](C)C2)C1 ZINC000908152346 1074467673 /nfs/dbraw/zinc/46/76/73/1074467673.db2.gz GMWBWTMOOWRELO-UHFFFAOYSA-N 2 0 382.553 -1.404 20 0 GAADRP CC(CNC(=O)C1CN(C)CC[NH+](C)C1)CNC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000908446996 1074468488 /nfs/dbraw/zinc/46/84/88/1074468488.db2.gz DUTUDAMJFYGLNG-UHFFFAOYSA-N 2 0 396.580 -1.158 20 0 GAADRP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N1C[C@H]2CN(C(=O)[C@]3(C)C[C@H](O)C[N@H+]3C)C[C@H]2C1 ZINC000908455403 1074468515 /nfs/dbraw/zinc/46/85/15/1074468515.db2.gz OTUQHCANTNZJNP-KZVWXAQQSA-N 2 0 394.516 -1.187 20 0 GAADRP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N1C[C@H]2CN(C(=O)[C@]3(C)C[C@@H](O)C[N@H+]3C)C[C@H]2C1 ZINC000908455404 1074468590 /nfs/dbraw/zinc/46/85/90/1074468590.db2.gz OTUQHCANTNZJNP-MGTDTEAMSA-N 2 0 394.516 -1.187 20 0 GAADRP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N1CC2CN(C(=O)[C@@]3(C)C[C@@H](O)C[N@H+]3C)CC2C1 ZINC000908455405 1074468565 /nfs/dbraw/zinc/46/85/65/1074468565.db2.gz OTUQHCANTNZJNP-NENKPNQISA-N 2 0 394.516 -1.187 20 0 GAADRP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)N1C[C@@H]2CN(C(=O)[C@@]3(C)C[C@@H](O)C[N@H+]3C)C[C@@H]2C1 ZINC000908455406 1074468392 /nfs/dbraw/zinc/46/83/92/1074468392.db2.gz OTUQHCANTNZJNP-SPBSJPQISA-N 2 0 394.516 -1.187 20 0 GAADRP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC1=O ZINC000910921706 1074481799 /nfs/dbraw/zinc/48/17/99/1074481799.db2.gz ZUQQOOMYZWAGNB-CVEARBPZSA-N 2 0 395.504 -1.724 20 0 GAADRP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC1=O ZINC000910921707 1074481811 /nfs/dbraw/zinc/48/18/11/1074481811.db2.gz ZUQQOOMYZWAGNB-HOTGVXAUSA-N 2 0 395.504 -1.724 20 0 GAADRP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC1=O ZINC000910921708 1074481775 /nfs/dbraw/zinc/48/17/75/1074481775.db2.gz ZUQQOOMYZWAGNB-HZPDHXFCSA-N 2 0 395.504 -1.724 20 0 GAADRP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC1=O ZINC000910921709 1074481836 /nfs/dbraw/zinc/48/18/36/1074481836.db2.gz ZUQQOOMYZWAGNB-JKSUJKDBSA-N 2 0 395.504 -1.724 20 0 GAADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000910948882 1074482466 /nfs/dbraw/zinc/48/24/66/1074482466.db2.gz LPWYCYDTZUFWTJ-INIZCTEOSA-N 2 0 397.520 -1.118 20 0 GAADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000910948883 1074482478 /nfs/dbraw/zinc/48/24/78/1074482478.db2.gz LPWYCYDTZUFWTJ-MRXNPFEDSA-N 2 0 397.520 -1.118 20 0 GAADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000910950066 1074482544 /nfs/dbraw/zinc/48/25/44/1074482544.db2.gz WYMJEOCIBDNESG-HNNXBMFYSA-N 2 0 383.493 -1.508 20 0 GAADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000910950068 1074482531 /nfs/dbraw/zinc/48/25/31/1074482531.db2.gz WYMJEOCIBDNESG-OAHLLOKOSA-N 2 0 383.493 -1.508 20 0 GAADRP O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C(=O)N1CCNCC[NH2+]CC1 ZINC000910975593 1074482548 /nfs/dbraw/zinc/48/25/48/1074482548.db2.gz FCMMNBNBMZTCJQ-GOSISDBHSA-N 2 0 389.500 -1.109 20 0 GAADRP O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C(=O)N1CCNCC[NH2+]CC1 ZINC000910975594 1074482527 /nfs/dbraw/zinc/48/25/27/1074482527.db2.gz FCMMNBNBMZTCJQ-SFHVURJKSA-N 2 0 389.500 -1.109 20 0 GAADRP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2CCNCC[NH2+]CC2)ccn1 ZINC000911013201 1074483322 /nfs/dbraw/zinc/48/33/22/1074483322.db2.gz YRDATKBFWVHCIH-UHFFFAOYSA-N 2 0 378.477 -1.340 20 0 GAADRP O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C(=O)N1CCNCC[NH2+]CC1 ZINC000911014177 1074484016 /nfs/dbraw/zinc/48/40/16/1074484016.db2.gz HQOMOTIPUUITLT-DLBZAZTESA-N 2 0 381.521 -1.108 20 0 GAADRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C(=O)N1CCNCC[NH2+]CC1 ZINC000911014178 1074483781 /nfs/dbraw/zinc/48/37/81/1074483781.db2.gz HQOMOTIPUUITLT-IAGOWNOFSA-N 2 0 381.521 -1.108 20 0 GAADRP O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C(=O)N1CCNCC[NH2+]CC1 ZINC000911014179 1074483816 /nfs/dbraw/zinc/48/38/16/1074483816.db2.gz HQOMOTIPUUITLT-IRXDYDNUSA-N 2 0 381.521 -1.108 20 0 GAADRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(=O)N1CCNCC[NH2+]CC1 ZINC000911014180 1074483903 /nfs/dbraw/zinc/48/39/03/1074483903.db2.gz HQOMOTIPUUITLT-SJORKVTESA-N 2 0 381.521 -1.108 20 0 GAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000911029564 1074483845 /nfs/dbraw/zinc/48/38/45/1074483845.db2.gz CYSKLOSZPVHYPR-FGTMMUONSA-N 2 0 392.548 -1.224 20 0 GAADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000911029569 1074483914 /nfs/dbraw/zinc/48/39/14/1074483914.db2.gz CYSKLOSZPVHYPR-KSZLIROESA-N 2 0 392.548 -1.224 20 0 GAADRP C[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)(N2CCOCC2)CC1 ZINC000911041150 1074484384 /nfs/dbraw/zinc/48/43/84/1074484384.db2.gz CAWBVZACNUTWOV-ARFHVFGLSA-N 2 0 379.505 -1.092 20 0 GAADRP C[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)(N2CCOCC2)CC1 ZINC000911041151 1074484375 /nfs/dbraw/zinc/48/43/75/1074484375.db2.gz CAWBVZACNUTWOV-OWCLPIDISA-N 2 0 379.505 -1.092 20 0 GAADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000911042315 1074484347 /nfs/dbraw/zinc/48/43/47/1074484347.db2.gz KJAKBQJYORMNAV-CVEARBPZSA-N 2 0 381.521 -1.129 20 0 GAADRP C[NH+]1CCC(CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)(N2CCOCC2)CC1 ZINC000911042828 1074484483 /nfs/dbraw/zinc/48/44/83/1074484483.db2.gz PNAJDAYTKVOBLE-DLBZAZTESA-N 2 0 393.532 -1.033 20 0 GAADRP C[C@@H]1CN(C(=O)C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C[C@H]1C[NH3+] ZINC000911043164 1074484446 /nfs/dbraw/zinc/48/44/46/1074484446.db2.gz SMVVIXMMQKYJCL-HZPDHXFCSA-N 2 0 381.521 -1.048 20 0 GAADRP C[NH+]1CCC(CNC(=O)C(=O)N2CCNCC[NH2+]CC2)(N2CCOCC2)CC1 ZINC000911043225 1074484354 /nfs/dbraw/zinc/48/43/54/1074484354.db2.gz UVAMIBZBGNQYGO-UHFFFAOYSA-N 2 0 396.536 -2.079 20 0 GAADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000911043548 1074484453 /nfs/dbraw/zinc/48/44/53/1074484453.db2.gz YRCPYXAPAGZPEI-INIZCTEOSA-N 2 0 397.520 -1.654 20 0 GAADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000911043550 1074484474 /nfs/dbraw/zinc/48/44/74/1074484474.db2.gz YRCPYXAPAGZPEI-MRXNPFEDSA-N 2 0 397.520 -1.654 20 0 GAADRP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCNCC[NH2+]CC3)cn2)CC1 ZINC000911067009 1074485016 /nfs/dbraw/zinc/48/50/16/1074485016.db2.gz LJTKNRYCZPQEOJ-UHFFFAOYSA-N 2 0 389.504 -1.529 20 0 GAADRP CC(C)[C@H](CNC(=O)C(=O)NCCN1CCC([NH3+])CC1)N1CC[NH+](C)CC1 ZINC000911069530 1074485140 /nfs/dbraw/zinc/48/51/40/1074485140.db2.gz VFKOMEUCOWYFII-KRWDZBQOSA-N 2 0 382.553 -1.086 20 0 GAADRP CC(C)[C@@H](CNC(=O)C(=O)NCCN1CCC([NH3+])CC1)N1CC[NH+](C)CC1 ZINC000911069564 1074484951 /nfs/dbraw/zinc/48/49/51/1074484951.db2.gz VFKOMEUCOWYFII-QGZVFWFLSA-N 2 0 382.553 -1.086 20 0 GAADRP C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CCNCC[NH2+]CC3)ccn2)CC1 ZINC000911110401 1074485651 /nfs/dbraw/zinc/48/56/51/1074485651.db2.gz CDSWBECVHLIUNN-UHFFFAOYSA-N 2 0 389.504 -1.529 20 0 GAADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911186709 1074486144 /nfs/dbraw/zinc/48/61/44/1074486144.db2.gz LCDLRAATNAMKHV-HNNXBMFYSA-N 2 0 382.509 -1.933 20 0 GAADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911186717 1074486296 /nfs/dbraw/zinc/48/62/96/1074486296.db2.gz LCDLRAATNAMKHV-OAHLLOKOSA-N 2 0 382.509 -1.933 20 0 GAADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NCCN2CCC([NH3+])CC2)CC1 ZINC000911269083 1074486874 /nfs/dbraw/zinc/48/68/74/1074486874.db2.gz IGVPHTKGLDDCQG-INIZCTEOSA-N 2 0 382.553 -1.085 20 0 GAADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NCCN2CCC([NH3+])CC2)CC1 ZINC000911269084 1074486921 /nfs/dbraw/zinc/48/69/21/1074486921.db2.gz IGVPHTKGLDDCQG-MRXNPFEDSA-N 2 0 382.553 -1.085 20 0 GAADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCCN3CCC([NH3+])CC3)CC2)C1 ZINC000911413363 1074491111 /nfs/dbraw/zinc/49/11/11/1074491111.db2.gz FGADUSUFOSUUBQ-KRWDZBQOSA-N 2 0 380.537 -1.236 20 0 GAADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCCN3CCC([NH3+])CC3)CC2)C1 ZINC000911413364 1074491093 /nfs/dbraw/zinc/49/10/93/1074491093.db2.gz FGADUSUFOSUUBQ-QGZVFWFLSA-N 2 0 380.537 -1.236 20 0 GAADRP CCO[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)C[NH+](C)C ZINC000911434451 1074491019 /nfs/dbraw/zinc/49/10/19/1074491019.db2.gz IBUUVWKPSCQABK-CVEARBPZSA-N 2 0 397.520 -1.260 20 0 GAADRP CCO[C@@H](CNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)C[NH+](C)C ZINC000911434452 1074491070 /nfs/dbraw/zinc/49/10/70/1074491070.db2.gz IBUUVWKPSCQABK-HOTGVXAUSA-N 2 0 397.520 -1.260 20 0 GAADRP CCO[C@H](CNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)C[NH+](C)C ZINC000911434454 1074491077 /nfs/dbraw/zinc/49/10/77/1074491077.db2.gz IBUUVWKPSCQABK-HZPDHXFCSA-N 2 0 397.520 -1.260 20 0 GAADRP CCO[C@H](CNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)C[NH+](C)C ZINC000911434456 1074491003 /nfs/dbraw/zinc/49/10/03/1074491003.db2.gz IBUUVWKPSCQABK-JKSUJKDBSA-N 2 0 397.520 -1.260 20 0 GAADRP CCO[C@@H](CNC(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)C[NH+](C)C ZINC000911436848 1074491087 /nfs/dbraw/zinc/49/10/87/1074491087.db2.gz WUZNRWOWLJNVFW-HNNXBMFYSA-N 2 0 398.508 -1.761 20 0 GAADRP CCO[C@H](CNC(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)C[NH+](C)C ZINC000911436849 1074491062 /nfs/dbraw/zinc/49/10/62/1074491062.db2.gz WUZNRWOWLJNVFW-OAHLLOKOSA-N 2 0 398.508 -1.761 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000911450280 1074491916 /nfs/dbraw/zinc/49/19/16/1074491916.db2.gz QYQPJUTUCUVAHJ-HNNXBMFYSA-N 3 0 397.520 -1.260 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000911450281 1074491788 /nfs/dbraw/zinc/49/17/88/1074491788.db2.gz QYQPJUTUCUVAHJ-OAHLLOKOSA-N 3 0 397.520 -1.260 20 0 GAADRP C[NH+]1C[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 ZINC000913674342 1074612927 /nfs/dbraw/zinc/61/29/27/1074612927.db2.gz MYZMESIKKJIQPO-AQPSJQEXSA-N 2 0 380.489 -1.292 20 0 GAADRP C[NH+]1C[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 ZINC000913674343 1074613244 /nfs/dbraw/zinc/61/32/44/1074613244.db2.gz MYZMESIKKJIQPO-JROKTQBJSA-N 2 0 380.489 -1.292 20 0 GAADRP C[NH+]1C[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 1074613200 /nfs/dbraw/zinc/61/32/00/1074613200.db2.gz MYZMESIKKJIQPO-KGSBAQAMSA-N 2 0 380.489 -1.292 20 0 GAADRP C[NH+]1C[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 ZINC000913674345 1074612896 /nfs/dbraw/zinc/61/28/96/1074612896.db2.gz MYZMESIKKJIQPO-PYQRTKFDSA-N 2 0 380.489 -1.292 20 0 GAADRP CN1CC[NH+](C)CC(C(=O)N2CC(C)(NC(=O)C3CN(C)CC[N@H+](C)C3)C2)C1 ZINC000913833511 1074614171 /nfs/dbraw/zinc/61/41/71/1074614171.db2.gz CUMLTPAFGILTHG-UHFFFAOYSA-N 2 0 394.564 -1.310 20 0 GAADRP CN1CC[NH+](C)CC(C(=O)N[C@@H](CO)CNC(=O)C2CN(C)CC[N@H+](C)C2)C1 ZINC000913920000 1074614841 /nfs/dbraw/zinc/61/48/41/1074614841.db2.gz FDBIJDAUPBPLSR-QGZVFWFLSA-N 2 0 398.552 -2.434 20 0 GAADRP COCC[N@H+](C)C[C@H](O)CN(Cc1cn(C)c(=O)n(C)c1=O)[C@@H]1CC[NH2+]C1 ZINC000923339821 1074884639 /nfs/dbraw/zinc/88/46/39/1074884639.db2.gz MVDOLIFYTFPJDT-CVEARBPZSA-N 2 0 383.493 -1.813 20 0 GAADRP COCC[N@H+](C)C[C@H](O)CN(Cc1cn(C)c(=O)n(C)c1=O)[C@H]1CC[NH2+]C1 ZINC000923339822 1074884578 /nfs/dbraw/zinc/88/45/78/1074884578.db2.gz MVDOLIFYTFPJDT-HOTGVXAUSA-N 2 0 383.493 -1.813 20 0 GAADRP COCC[N@H+](C)C[C@@H](O)CN(Cc1cn(C)c(=O)n(C)c1=O)[C@@H]1CC[NH2+]C1 ZINC000923339823 1074884646 /nfs/dbraw/zinc/88/46/46/1074884646.db2.gz MVDOLIFYTFPJDT-HZPDHXFCSA-N 2 0 383.493 -1.813 20 0 GAADRP COCC[N@H+](C)C[C@@H](O)CN(Cc1cn(C)c(=O)n(C)c1=O)[C@H]1CC[NH2+]C1 ZINC000923339824 1074884659 /nfs/dbraw/zinc/88/46/59/1074884659.db2.gz MVDOLIFYTFPJDT-JKSUJKDBSA-N 2 0 383.493 -1.813 20 0 GAADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(S(=O)(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000923611432 637486038 /nfs/dbraw/zinc/48/60/38/637486038.db2.gz FCOISXLVLSXBOR-INIZCTEOSA-N 2 0 375.539 -1.137 20 0 GAADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(S(=O)(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000923611433 637485837 /nfs/dbraw/zinc/48/58/37/637485837.db2.gz FCOISXLVLSXBOR-MRXNPFEDSA-N 2 0 375.539 -1.137 20 0 GAADRP O=C(C(=O)N1CCNCC[NH2+]CC1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000926329136 1075699509 /nfs/dbraw/zinc/69/95/09/1075699509.db2.gz WHRIOJFGSXCKOA-UHFFFAOYSA-N 2 0 381.521 -1.031 20 0 GAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCNCC[NH2+]CC2)CC1 ZINC000926329430 1075699440 /nfs/dbraw/zinc/69/94/40/1075699440.db2.gz DYXHMKPBTYDQJY-UHFFFAOYSA-N 2 0 382.509 -1.980 20 0 GAADRP CN(C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000926331747 1075699420 /nfs/dbraw/zinc/69/94/20/1075699420.db2.gz PKDNBZUFOAALJS-APWZRJJASA-N 2 0 381.521 -1.075 20 0 GAADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2CCNCC[NH2+]CC2)CC1 ZINC000926331953 1075699849 /nfs/dbraw/zinc/69/98/49/1075699849.db2.gz VMNBVEUJHJCZDL-UHFFFAOYSA-N 2 0 380.493 -2.226 20 0 GAADRP CN(C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000926332148 1075699927 /nfs/dbraw/zinc/69/99/27/1075699927.db2.gz PKDNBZUFOAALJS-LPHOPBHVSA-N 2 0 381.521 -1.075 20 0 GAADRP CN(C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000926332149 1075699852 /nfs/dbraw/zinc/69/98/52/1075699852.db2.gz PKDNBZUFOAALJS-QFBILLFUSA-N 2 0 381.521 -1.075 20 0 GAADRP CN(C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000926332150 1075699881 /nfs/dbraw/zinc/69/98/81/1075699881.db2.gz PKDNBZUFOAALJS-VQIMIIECSA-N 2 0 381.521 -1.075 20 0 GAADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCNCC[NH2+]CC3)CC2)c1 ZINC000926332156 1075699803 /nfs/dbraw/zinc/69/98/03/1075699803.db2.gz PPIONAASSJMFJM-UHFFFAOYSA-N 2 0 376.461 -1.240 20 0 GAADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CCNCC[NH2+]CC2)CC1 ZINC000926346964 1075699835 /nfs/dbraw/zinc/69/98/35/1075699835.db2.gz KLINCGVNCRMGND-UHFFFAOYSA-N 2 0 376.461 -1.240 20 0 GAADRP CN1CC[NH+](CC2(C)CCN(C(=O)C(=O)N3CCNCC[NH2+]CC3)CC2)CC1 ZINC000926353518 1075699920 /nfs/dbraw/zinc/69/99/20/1075699920.db2.gz KWYVPLFQMVZQTJ-UHFFFAOYSA-N 2 0 394.564 -1.116 20 0 GAADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000926356802 1075700193 /nfs/dbraw/zinc/70/01/93/1075700193.db2.gz KHAPJWLJNGSTDX-XHSDSOJGSA-N 2 0 377.489 -1.038 20 0 GAADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCNCC[NH2+]CC2)CC1 ZINC000926358200 1075700284 /nfs/dbraw/zinc/70/02/84/1075700284.db2.gz WHKMROGBNRPJFZ-HNNXBMFYSA-N 2 0 380.493 -2.227 20 0 GAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCNCC[NH2+]CC2)CC1 ZINC000926358201 1075700248 /nfs/dbraw/zinc/70/02/48/1075700248.db2.gz WHKMROGBNRPJFZ-OAHLLOKOSA-N 2 0 380.493 -2.227 20 0 GAADRP COCC[NH+](CCOC)C1CCN(C(=O)C(=O)N2CCNCC[NH2+]CC2)CC1 ZINC000926405559 1075700307 /nfs/dbraw/zinc/70/03/07/1075700307.db2.gz DFTLXJXOEWOVAP-UHFFFAOYSA-N 2 0 399.536 -1.406 20 0 GAADRP C[NH+]1CCN(CCNC(=O)[C@@H]2C[C@@H]2C(=O)NCCN2CC[NH+](C)CC2)CC1 ZINC000929582414 1075708239 /nfs/dbraw/zinc/70/82/39/1075708239.db2.gz VYENPCLEPAGQND-CALCHBBNSA-N 2 0 380.537 -1.650 20 0 GAADRP C[C@H](CNC(=O)CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000930888511 1075712750 /nfs/dbraw/zinc/71/27/50/1075712750.db2.gz QDOPTALNSXEMGG-DISONHOPSA-N 2 0 381.521 -2.007 20 0 GAADRP C[C@@H](CNC(=O)CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000930888512 1075712804 /nfs/dbraw/zinc/71/28/04/1075712804.db2.gz QDOPTALNSXEMGG-NNPSNHGLSA-N 2 0 381.521 -2.007 20 0 GAADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c1 ZINC000931611048 1075715281 /nfs/dbraw/zinc/71/52/81/1075715281.db2.gz OBDSVGXPJSOBJF-UHFFFAOYSA-N 2 0 376.461 -1.004 20 0 GAADRP CCO[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)C[NH+](C)C ZINC000932467856 1075718372 /nfs/dbraw/zinc/71/83/72/1075718372.db2.gz KSWPOWNHEWUIGJ-CVEARBPZSA-N 2 0 397.520 -1.166 20 0 GAADRP CCO[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)C[NH+](C)C ZINC000932467857 1075718341 /nfs/dbraw/zinc/71/83/41/1075718341.db2.gz KSWPOWNHEWUIGJ-HOTGVXAUSA-N 2 0 397.520 -1.166 20 0 GAADRP CCO[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)C[NH+](C)C ZINC000932467858 1075718434 /nfs/dbraw/zinc/71/84/34/1075718434.db2.gz KSWPOWNHEWUIGJ-HZPDHXFCSA-N 2 0 397.520 -1.166 20 0 GAADRP CCO[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)C[NH+](C)C ZINC000932467859 1075718405 /nfs/dbraw/zinc/71/84/05/1075718405.db2.gz KSWPOWNHEWUIGJ-JKSUJKDBSA-N 2 0 397.520 -1.166 20 0 GAADRP CCO[C@@H](CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C[NH+](C)C ZINC000932472617 1075718288 /nfs/dbraw/zinc/71/82/88/1075718288.db2.gz PGQPUDCTULRXPF-INIZCTEOSA-N 2 0 397.520 -1.164 20 0 GAADRP CCO[C@H](CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C[NH+](C)C ZINC000932472621 1075718428 /nfs/dbraw/zinc/71/84/28/1075718428.db2.gz PGQPUDCTULRXPF-MRXNPFEDSA-N 2 0 397.520 -1.164 20 0 GAADRP C[NH+](C)CCN1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)CC1=O ZINC000932965319 1075720060 /nfs/dbraw/zinc/72/00/60/1075720060.db2.gz KMCAEXPUZGZFEL-INIZCTEOSA-N 2 0 395.504 -1.412 20 0 GAADRP C[NH+](C)CCN1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)CC1=O ZINC000932965320 1075720133 /nfs/dbraw/zinc/72/01/33/1075720133.db2.gz KMCAEXPUZGZFEL-MRXNPFEDSA-N 2 0 395.504 -1.412 20 0 GAADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]CCN3CCNC3=O)[C@@H](n3ccnn3)C2)CC[N@@H+]1C ZINC001070196509 1073530985 /nfs/dbraw/zinc/53/09/85/1073530985.db2.gz BKJYZFMQSNMQBN-FPCVCCKLSA-N 2 0 390.492 -1.015 20 0 GAADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(CC(=O)N4CCNC(=O)C4)C[C@H]32)CC[N@@H+]1C ZINC001075808966 1074194248 /nfs/dbraw/zinc/19/42/48/1074194248.db2.gz MHRSBNIKUSUBCP-QKPAOTATSA-N 2 0 377.489 -1.182 20 0 GAADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCCN3C(=O)CNC3=O)C[C@H]2O)CC[N@@H+]1C ZINC001077028394 1074440433 /nfs/dbraw/zinc/44/04/33/1074440433.db2.gz CSTQTFFSQDIWOX-GBJTYRQASA-N 2 0 381.477 -1.180 20 0 GAADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCCN3C(=O)CNC3=O)C[C@@H]2O)CC[N@@H+]1C ZINC001083474841 1074369122 /nfs/dbraw/zinc/36/91/22/1074369122.db2.gz CSTQTFFSQDIWOX-YJNKXOJESA-N 2 0 381.477 -1.180 20 0 GAADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@H]2C)CC[NH+]1C ZINC001092620737 1075086798 /nfs/dbraw/zinc/08/67/98/1075086798.db2.gz YTPOATQQNOXUQN-KLHDSHLOSA-N 2 0 379.505 -1.031 20 0 GAADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)N3CCNC(=O)C3)[C@H](C)C2)CC[N@@H+]1C ZINC001106148607 1074617609 /nfs/dbraw/zinc/61/76/09/1074617609.db2.gz VJNDJDMADQDAGA-KLHDSHLOSA-N 2 0 379.505 -1.031 20 0 GAADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NC(N)=O)n1 ZINC001110574390 1075425311 /nfs/dbraw/zinc/42/53/11/1075425311.db2.gz KRDRTIMGPHNJCF-BNOWGMLFSA-N 2 0 377.449 -1.025 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC001117148685 1073637515 /nfs/dbraw/zinc/63/75/15/1073637515.db2.gz HBOKWWZZICYTKM-AWEZNQCLSA-N 2 0 391.538 -1.522 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC001117148688 1073637588 /nfs/dbraw/zinc/63/75/88/1073637588.db2.gz HBOKWWZZICYTKM-CQSZACIVSA-N 2 0 391.538 -1.522 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC1CCS(=O)(=O)CC1 ZINC001117350967 1073665445 /nfs/dbraw/zinc/66/54/45/1073665445.db2.gz HDZXLOOUJKCOMF-UHFFFAOYSA-N 2 0 376.523 -1.121 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC(C)(C)NS(C)(=O)=O ZINC001117355223 1073666750 /nfs/dbraw/zinc/66/67/50/1073666750.db2.gz SBDSPULWSMKAHZ-UHFFFAOYSA-N 2 0 379.527 -1.618 20 0 GAADRP C[C@@H](CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)C[NH+]1CCN(C)CC1 ZINC001118086640 1073721838 /nfs/dbraw/zinc/72/18/38/1073721838.db2.gz YFFKJZWWSFPZSB-BHYGNILZSA-N 2 0 391.520 -1.327 20 0 GAADRP C[C@H](CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)C[NH+]1CCN(C)CC1 ZINC001118086641 1073721903 /nfs/dbraw/zinc/72/19/03/1073721903.db2.gz YFFKJZWWSFPZSB-HYVNUMGLSA-N 2 0 391.520 -1.327 20 0 GAADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001118147753 1073724715 /nfs/dbraw/zinc/72/47/15/1073724715.db2.gz JDEHKVZQAWDYBQ-DLBZAZTESA-N 2 0 391.520 -1.231 20 0 GAADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cn1 ZINC001118265947 1073739233 /nfs/dbraw/zinc/73/92/33/1073739233.db2.gz ZQEXRVVXGPRFGO-CYBMUJFWSA-N 2 0 379.465 -1.303 20 0 GAADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)cn1 ZINC001118265949 1073739331 /nfs/dbraw/zinc/73/93/31/1073739331.db2.gz ZQEXRVVXGPRFGO-ZDUSSCGKSA-N 2 0 379.465 -1.303 20 0 GAADRP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)C2)nn1 ZINC001118331182 1073747175 /nfs/dbraw/zinc/74/71/75/1073747175.db2.gz LSOQSGVDXWEKDL-QLFBSQMISA-N 2 0 377.449 -1.822 20 0 GAADRP [NH3+]Cc1cn([C@H]2CCCN(C(=O)C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)C2)nn1 ZINC001118331183 1073747317 /nfs/dbraw/zinc/74/73/17/1073747317.db2.gz LSOQSGVDXWEKDL-SOUVJXGZSA-N 2 0 377.449 -1.822 20 0 GAADRP O=C(/C=C/C=C/C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC001118333075 1073747893 /nfs/dbraw/zinc/74/78/93/1073747893.db2.gz HDPDFHXOILSGQF-MPXZEPHKSA-N 2 0 390.484 -1.346 20 0 GAADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC001118341440 1073748670 /nfs/dbraw/zinc/74/86/70/1073748670.db2.gz YXOCNUDQNSINRN-JKSUJKDBSA-N 2 0 395.504 -1.677 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001118362871 1073751621 /nfs/dbraw/zinc/75/16/21/1073751621.db2.gz HFTOKINYWRVGFP-CYBMUJFWSA-N 2 0 377.511 -1.912 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC001118362872 1073751682 /nfs/dbraw/zinc/75/16/82/1073751682.db2.gz HFTOKINYWRVGFP-ZDUSSCGKSA-N 2 0 377.511 -1.912 20 0 GAADRP O=C(CCCC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC001118383467 1073753173 /nfs/dbraw/zinc/75/31/73/1073753173.db2.gz ZVSJBFQOWIAFHG-MWDXBVQZSA-N 2 0 380.489 -1.289 20 0 GAADRP CN1CC[NH+](CC2CCN(C(=O)C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)CC2)CC1 ZINC001118390723 1073753690 /nfs/dbraw/zinc/75/36/90/1073753690.db2.gz ZFDQFXKJWMUBCN-ZWKOTPCHSA-N 2 0 393.532 -1.250 20 0 GAADRP C[C@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001118391717 1073753646 /nfs/dbraw/zinc/75/36/46/1073753646.db2.gz ADNSHWUDVDRFIJ-FJIDUMEYSA-N 2 0 393.532 -1.252 20 0 GAADRP C[C@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001118391718 1073754384 /nfs/dbraw/zinc/75/43/84/1073754384.db2.gz ADNSHWUDVDRFIJ-WNRNVDISSA-N 2 0 393.532 -1.252 20 0 GAADRP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001118391719 1073754146 /nfs/dbraw/zinc/75/41/46/1073754146.db2.gz ADNSHWUDVDRFIJ-XDNAFOTISA-N 2 0 393.532 -1.252 20 0 GAADRP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001118391720 1073754187 /nfs/dbraw/zinc/75/41/87/1073754187.db2.gz ADNSHWUDVDRFIJ-XMTFNYHQSA-N 2 0 393.532 -1.252 20 0 GAADRP CN1CCC([NH+]2CCC(NC(=O)C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)CC2)CC1 ZINC001118400275 1073754291 /nfs/dbraw/zinc/75/42/91/1073754291.db2.gz LGLXWOFPTXKDFS-ZWKOTPCHSA-N 2 0 393.532 -1.061 20 0 GAADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CCO1 ZINC001118490320 1073760607 /nfs/dbraw/zinc/76/06/07/1073760607.db2.gz GSDPQCFSSJYYLN-CYBMUJFWSA-N 2 0 380.449 -1.174 20 0 GAADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CCO1 ZINC001118490321 1073760781 /nfs/dbraw/zinc/76/07/81/1073760781.db2.gz GSDPQCFSSJYYLN-ZDUSSCGKSA-N 2 0 380.449 -1.174 20 0 GAADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC001118491079 1073761325 /nfs/dbraw/zinc/76/13/25/1073761325.db2.gz RIOAMZRODDOPJG-GDBMZVCRSA-N 2 0 395.504 -1.331 20 0 GAADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC001118491080 1073761473 /nfs/dbraw/zinc/76/14/73/1073761473.db2.gz RIOAMZRODDOPJG-GOEBONIOSA-N 2 0 395.504 -1.331 20 0 GAADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC001118491081 1073761270 /nfs/dbraw/zinc/76/12/70/1073761270.db2.gz RIOAMZRODDOPJG-HOCLYGCPSA-N 2 0 395.504 -1.331 20 0 GAADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC001118491082 1073761434 /nfs/dbraw/zinc/76/14/34/1073761434.db2.gz RIOAMZRODDOPJG-ZBFHGGJFSA-N 2 0 395.504 -1.331 20 0 GAADRP O=C1NC(=O)[C@]2(CCC[NH+](C/C=C\C[N@H+]3CCC[C@]4(C3)NC(=O)NC4=O)C2)N1 ZINC001118518103 1073765082 /nfs/dbraw/zinc/76/50/82/1073765082.db2.gz QATLLBBYWWLGNQ-FKAFAWJWSA-N 2 0 390.444 -1.109 20 0 GAADRP O=C1NC(=O)[C@]2(CCC[NH+](C/C=C/C[N@H+]3CCC[C@@]4(C3)NC(=O)NC4=O)C2)N1 ZINC001118518111 1073765206 /nfs/dbraw/zinc/76/52/06/1073765206.db2.gz QATLLBBYWWLGNQ-KVHJKKSTSA-N 2 0 390.444 -1.109 20 0 GAADRP O=C1NC(=O)[C@]2(CCC[NH+](C/C=C\C[N@H+]3CCC[C@@]4(C3)NC(=O)NC4=O)C2)N1 ZINC001118518113 1073765262 /nfs/dbraw/zinc/76/52/62/1073765262.db2.gz QATLLBBYWWLGNQ-OEHAVNEVSA-N 2 0 390.444 -1.109 20 0 GAADRP O=C1NC(=O)[C@]2(CCC[NH+](C/C=C/C[N@H+]3CCC[C@]4(C3)NC(=O)NC4=O)C2)N1 ZINC001118518116 1073765321 /nfs/dbraw/zinc/76/53/21/1073765321.db2.gz QATLLBBYWWLGNQ-ZHEVZCJESA-N 2 0 390.444 -1.109 20 0 GAADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cn1 ZINC001118542167 1073766786 /nfs/dbraw/zinc/76/67/86/1073766786.db2.gz OKSUEYONGWKVFN-CHWSQXEVSA-N 2 0 383.428 -1.603 20 0 GAADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1 ZINC001118553376 1073767176 /nfs/dbraw/zinc/76/71/76/1073767176.db2.gz BNMULDHWDQCFHA-ZDUSSCGKSA-N 2 0 392.460 -1.172 20 0 GAADRP C[NH+]1CCC(NC(=O)C(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)CC1 ZINC001118865788 1073794669 /nfs/dbraw/zinc/79/46/69/1073794669.db2.gz RYSZNOAWQNRNOJ-CABCVRRESA-N 2 0 379.461 -1.020 20 0 GAADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2C)cn1 ZINC001118877478 1073796998 /nfs/dbraw/zinc/79/69/98/1073796998.db2.gz RCEXWLYIKANBRH-CQSZACIVSA-N 2 0 379.465 -1.290 20 0 GAADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)N[C@@H]1CC[N@H+](CCN3CCOCC3)C1)C2 ZINC001118919999 1073805800 /nfs/dbraw/zinc/80/58/00/1073805800.db2.gz SCNBRXQLZPVTFN-AHRSYUTCSA-N 2 0 393.532 -1.033 20 0 GAADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)N[C@H]1CC[N@H+](CCN3CCOCC3)C1)C2 ZINC001118920000 1073805955 /nfs/dbraw/zinc/80/59/55/1073805955.db2.gz SCNBRXQLZPVTFN-FFZOFVMBSA-N 2 0 393.532 -1.033 20 0 GAADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC001118926032 1073806939 /nfs/dbraw/zinc/80/69/39/1073806939.db2.gz YQGAQHNYRDXHGO-AWEZNQCLSA-N 2 0 383.493 -1.331 20 0 GAADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC001118926033 1073806824 /nfs/dbraw/zinc/80/68/24/1073806824.db2.gz YQGAQHNYRDXHGO-CQSZACIVSA-N 2 0 383.493 -1.331 20 0 GAADRP COC(=O)C1=NO[C@]2(CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C2)C1 ZINC001118940823 1073808681 /nfs/dbraw/zinc/80/86/81/1073808681.db2.gz UNYNGSCNPCKXRA-GOSISDBHSA-N 2 0 397.476 -1.141 20 0 GAADRP COC(=O)C1=NO[C@@]2(CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C2)C1 ZINC001118940824 1073809245 /nfs/dbraw/zinc/80/92/45/1073809245.db2.gz UNYNGSCNPCKXRA-SFHVURJKSA-N 2 0 397.476 -1.141 20 0 GAADRP CN1CC[NH+](C2CCN(C(=O)C(=O)N3CCN([C@@H]4CC[NH2+]C4)CC3)CC2)CC1 ZINC001118974210 1073811518 /nfs/dbraw/zinc/81/15/18/1073811518.db2.gz JFSLOMBEBYGQQX-GOSISDBHSA-N 2 0 392.548 -1.269 20 0 GAADRP CN1CC[NH+](C2CCN(C(=O)C(=O)N3CCN([C@H]4CC[NH2+]C4)CC3)CC2)CC1 ZINC001118974213 1073811487 /nfs/dbraw/zinc/81/14/87/1073811487.db2.gz JFSLOMBEBYGQQX-SFHVURJKSA-N 2 0 392.548 -1.269 20 0 GAADRP O=C([C@H]1CC[C@@H]1C(=O)N1CC(N2CC[C@@H](O)C2)C1)N1CC(N2CC[C@@H](O)C2)C1 ZINC001118978262 1073811393 /nfs/dbraw/zinc/81/13/93/1073811393.db2.gz REWLIKZUOJJCPV-BDXSIMOUSA-N 2 0 392.500 -1.433 20 0 GAADRP O=C([C@@H]1CC[C@H]1C(=O)N1CC(N2CC[C@@H](O)C2)C1)N1CC(N2CC[C@@H](O)C2)C1 ZINC001118978265 1073811278 /nfs/dbraw/zinc/81/12/78/1073811278.db2.gz REWLIKZUOJJCPV-BRSBDYLESA-N 2 0 392.500 -1.433 20 0 GAADRP O=C([C@@H]1CC[C@@H]1C(=O)N1CC(N2CC[C@@H](O)C2)C1)N1CC(N2CC[C@@H](O)C2)C1 ZINC001118978268 1073811597 /nfs/dbraw/zinc/81/15/97/1073811597.db2.gz REWLIKZUOJJCPV-TVFCKZIOSA-N 2 0 392.500 -1.433 20 0 GAADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CNC(=O)C3)C2)C[C@H]1C[NH+](C)C ZINC001119017621 1073813851 /nfs/dbraw/zinc/81/38/51/1073813851.db2.gz DFNVMYVCPVLNED-CLCXKQKWSA-N 2 0 379.505 -1.077 20 0 GAADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CNC(=O)C3)C2)C[C@H]1C[NH+](C)C ZINC001119017624 1073813795 /nfs/dbraw/zinc/81/37/95/1073813795.db2.gz DFNVMYVCPVLNED-SPYBWZPUSA-N 2 0 379.505 -1.077 20 0 GAADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCS1(=O)=O ZINC001119022966 1073813829 /nfs/dbraw/zinc/81/38/29/1073813829.db2.gz JNJVSAYDGXZEFF-RBSFLKMASA-N 2 0 388.534 -1.170 20 0 GAADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](CC(N)=O)C2)C[C@H]1C[NH+](C)C ZINC001119023473 1073814034 /nfs/dbraw/zinc/81/40/34/1073814034.db2.gz QKONHEVAGOTYHK-KFWWJZLASA-N 2 0 383.493 -1.713 20 0 GAADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](CC(N)=O)C2)C[C@H]1C[NH+](C)C ZINC001119023474 1073813811 /nfs/dbraw/zinc/81/38/11/1073813811.db2.gz QKONHEVAGOTYHK-RBSFLKMASA-N 2 0 383.493 -1.713 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC001119077113 1073816306 /nfs/dbraw/zinc/81/63/06/1073816306.db2.gz KJJVABBURYTREB-INIZCTEOSA-N 2 0 397.520 -1.166 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC001119077115 1073816138 /nfs/dbraw/zinc/81/61/38/1073816138.db2.gz KJJVABBURYTREB-MRXNPFEDSA-N 2 0 397.520 -1.166 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001119077992 1073816892 /nfs/dbraw/zinc/81/68/92/1073816892.db2.gz BEEQIJJFQRGATG-CABCVRRESA-N 2 0 388.534 -1.169 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001119077993 1073816694 /nfs/dbraw/zinc/81/66/94/1073816694.db2.gz BEEQIJJFQRGATG-GJZGRUSLSA-N 2 0 388.534 -1.169 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC001119077994 1073816814 /nfs/dbraw/zinc/81/68/14/1073816814.db2.gz BEEQIJJFQRGATG-HUUCEWRRSA-N 2 0 388.534 -1.169 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2CS(=O)(=O)C[C@H]2C1 ZINC001119077995 1073816774 /nfs/dbraw/zinc/81/67/74/1073816774.db2.gz BEEQIJJFQRGATG-LSDHHAIUSA-N 2 0 388.534 -1.169 20 0 GAADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCc2nnnn2C2CC2)C[C@H]1C[NH+](C)C ZINC001119146358 1073819922 /nfs/dbraw/zinc/81/99/22/1073819922.db2.gz UEZAABFVAIXELN-CHWSQXEVSA-N 2 0 378.481 -1.178 20 0 GAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001119189624 1073820433 /nfs/dbraw/zinc/82/04/33/1073820433.db2.gz UYMISXZXBCUQHA-BRWVUGGUSA-N 3 0 382.553 -1.454 20 0 GAADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001119189625 1073820286 /nfs/dbraw/zinc/82/02/86/1073820286.db2.gz UYMISXZXBCUQHA-ZACQAIPSSA-N 3 0 382.553 -1.454 20 0 GAADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCC2(S(C)(=O)=O)CC2)C[C@H]1C[NH+](C)C ZINC001119227726 1073820995 /nfs/dbraw/zinc/82/09/95/1073820995.db2.gz KONNXQFDDFTMIA-ZIAGYGMSSA-N 2 0 388.534 -1.122 20 0 GAADRP Cn1nnnc1CCCNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001119877741 1073830010 /nfs/dbraw/zinc/83/00/10/1073830010.db2.gz SKLVSWBFMFZPAV-ZIAGYGMSSA-N 2 0 380.497 -1.543 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001120332261 1073833352 /nfs/dbraw/zinc/83/33/52/1073833352.db2.gz HBDPBLRASSJYRR-CYBMUJFWSA-N 2 0 390.510 -2.701 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001120332262 1073833543 /nfs/dbraw/zinc/83/35/43/1073833543.db2.gz HBDPBLRASSJYRR-ZDUSSCGKSA-N 2 0 390.510 -2.701 20 0 GAADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)N[C@@H]1CC[N@H+](CCN3CCOCC3)C1)C2 ZINC001120421181 1073837009 /nfs/dbraw/zinc/83/70/09/1073837009.db2.gz WCVSACNDFHMTSF-HZMVEIRTSA-N 2 0 379.505 -1.153 20 0 GAADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)N[C@@H]1CC[N@H+](CCN3CCOCC3)C1)C2 ZINC001120421182 1073836866 /nfs/dbraw/zinc/83/68/66/1073836866.db2.gz WCVSACNDFHMTSF-NXOAAHMSSA-N 2 0 379.505 -1.153 20 0 GAADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)N[C@H]1CC[N@H+](CCN3CCOCC3)C1)C2 ZINC001120421183 1073837048 /nfs/dbraw/zinc/83/70/48/1073837048.db2.gz WCVSACNDFHMTSF-QAETUUGQSA-N 2 0 379.505 -1.153 20 0 GAADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)N[C@H]1CC[N@H+](CCN3CCOCC3)C1)C2 ZINC001120421184 1073837159 /nfs/dbraw/zinc/83/71/59/1073837159.db2.gz WCVSACNDFHMTSF-YVSFHVDLSA-N 2 0 379.505 -1.153 20 0 GAADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001120421528 1073837103 /nfs/dbraw/zinc/83/71/03/1073837103.db2.gz YNXBAQOMXCDZPT-CABCVRRESA-N 2 0 383.493 -1.508 20 0 GAADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001120421529 1073836963 /nfs/dbraw/zinc/83/69/63/1073836963.db2.gz YNXBAQOMXCDZPT-GJZGRUSLSA-N 2 0 383.493 -1.508 20 0 GAADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001120421530 1073836804 /nfs/dbraw/zinc/83/68/04/1073836804.db2.gz YNXBAQOMXCDZPT-HUUCEWRRSA-N 2 0 383.493 -1.508 20 0 GAADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001120421531 1073836888 /nfs/dbraw/zinc/83/68/88/1073836888.db2.gz YNXBAQOMXCDZPT-LSDHHAIUSA-N 2 0 383.493 -1.508 20 0 GAADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCNCC[NH2+]CC2)CC1 ZINC001120516426 1073840465 /nfs/dbraw/zinc/84/04/65/1073840465.db2.gz FBVGJARESCMHGW-UHFFFAOYSA-N 2 0 382.509 -1.933 20 0 GAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CS(=O)(=O)C3)CC1 ZINC001121917367 1073842879 /nfs/dbraw/zinc/84/28/79/1073842879.db2.gz SYIYLMSMFOASAV-YOEHRIQHSA-N 2 0 386.518 -1.367 20 0 GAADRP O=C(NC[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)C1)[C@@H]1CCC[NH2+]1 ZINC001121930503 1073842980 /nfs/dbraw/zinc/84/29/80/1073842980.db2.gz KQMGNZNEQSKVNN-DZKIICNBSA-N 2 0 377.489 -1.087 20 0 GAADRP O=C(NC[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)C1)[C@@H]1CCC[NH2+]1 ZINC001121930504 1073842839 /nfs/dbraw/zinc/84/28/39/1073842839.db2.gz KQMGNZNEQSKVNN-LZWOXQAQSA-N 2 0 377.489 -1.087 20 0 GAADRP O=C(NC[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)C1)[C@H]1CCC[NH2+]1 ZINC001121930505 1073842859 /nfs/dbraw/zinc/84/28/59/1073842859.db2.gz KQMGNZNEQSKVNN-OFQRWUPVSA-N 2 0 377.489 -1.087 20 0 GAADRP O=C(NC[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)C1)[C@H]1CCC[NH2+]1 ZINC001121930506 1073843830 /nfs/dbraw/zinc/84/38/30/1073843830.db2.gz KQMGNZNEQSKVNN-SQWLQELKSA-N 2 0 377.489 -1.087 20 0 GAADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001121938066 1073843849 /nfs/dbraw/zinc/84/38/49/1073843849.db2.gz UNHRNGUJBCFYOG-GVXVVHGQSA-N 2 0 384.424 -1.427 20 0 GAADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001121938070 1073843870 /nfs/dbraw/zinc/84/38/70/1073843870.db2.gz UNHRNGUJBCFYOG-LOWVWBTDSA-N 2 0 384.424 -1.427 20 0 GAADRP O=C([C@@H]1CC(=O)N(C2C[NH2+]C2)C1)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001121993220 1073843863 /nfs/dbraw/zinc/84/38/63/1073843863.db2.gz UFQAUCUSCKTCDW-DAXOMENPSA-N 2 0 390.488 -1.447 20 0 GAADRP O=C([C@@H]1CC(=O)N(C2C[NH2+]C2)C1)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001121993221 1073843839 /nfs/dbraw/zinc/84/38/39/1073843839.db2.gz UFQAUCUSCKTCDW-KCXAZCMYSA-N 2 0 390.488 -1.447 20 0 GAADRP O=C([C@@H]1CC(=O)N(C2C[NH2+]C2)C1)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001121993222 1073843891 /nfs/dbraw/zinc/84/38/91/1073843891.db2.gz UFQAUCUSCKTCDW-UHOFOFEASA-N 2 0 390.488 -1.447 20 0 GAADRP O=C([C@@H]1CC(=O)N(C2C[NH2+]C2)C1)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001121993223 1073843707 /nfs/dbraw/zinc/84/37/07/1073843707.db2.gz UFQAUCUSCKTCDW-WQVCFCJDSA-N 2 0 390.488 -1.447 20 0 GAADRP O=C(C[C@H]1COCC[NH2+]1)N1CCNCCN(C(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC001122182297 1073844271 /nfs/dbraw/zinc/84/42/71/1073844271.db2.gz OAINJVZURDJZJG-HOTGVXAUSA-N 2 0 383.493 -1.996 20 0 GAADRP O=C(C[C@@H]1COCC[NH2+]1)N1CCNCCN(C(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC001122182298 1073844714 /nfs/dbraw/zinc/84/47/14/1073844714.db2.gz OAINJVZURDJZJG-HZPDHXFCSA-N 2 0 383.493 -1.996 20 0 GAADRP O=C(C[C@@H]1COCC[NH2+]1)N1CCNCCN(C(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC001122182299 1073844600 /nfs/dbraw/zinc/84/46/00/1073844600.db2.gz OAINJVZURDJZJG-IYBDPMFKSA-N 2 0 383.493 -1.996 20 0 GAADRP O=C(C[C@H]1C[NH2+]CCO1)N1CCNCCN(C(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC001122264968 1073845181 /nfs/dbraw/zinc/84/51/81/1073845181.db2.gz BCRZPYBZPBGWDR-HOTGVXAUSA-N 2 0 383.493 -1.996 20 0 GAADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CCNCCN(C(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC001122264970 1073845170 /nfs/dbraw/zinc/84/51/70/1073845170.db2.gz BCRZPYBZPBGWDR-HZPDHXFCSA-N 2 0 383.493 -1.996 20 0 GAADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CCNCCN(C(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC001122264972 1073845265 /nfs/dbraw/zinc/84/52/65/1073845265.db2.gz BCRZPYBZPBGWDR-IYBDPMFKSA-N 2 0 383.493 -1.996 20 0 GAADRP O=C(CN1CC[NH2+]CC1)N1CCNCCN(C(=O)CN2CC[NH2+]CC2)CC1 ZINC001122265086 1073845233 /nfs/dbraw/zinc/84/52/33/1073845233.db2.gz DEWGFAYLWAXUOB-UHFFFAOYSA-N 2 0 381.525 -2.943 20 0 GAADRP CN1CC[NH2+]C[C@H]1C(=O)N1CCNCCN(C(=O)[C@@H]2C[NH2+]CCN2C)CC1 ZINC001122265540 1073845221 /nfs/dbraw/zinc/84/52/21/1073845221.db2.gz QTNMSNPENIVMSC-HOTGVXAUSA-N 2 0 381.525 -2.946 20 0 GAADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCNCCN(C(=O)[C@H]2C[NH2+]CCN2C)CC1 ZINC001122265541 1073845196 /nfs/dbraw/zinc/84/51/96/1073845196.db2.gz QTNMSNPENIVMSC-HZPDHXFCSA-N 2 0 381.525 -2.946 20 0 GAADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCNCCN(C(=O)[C@@H]2C[NH2+]CCN2C)CC1 ZINC001122265542 1073845065 /nfs/dbraw/zinc/84/50/65/1073845065.db2.gz QTNMSNPENIVMSC-IYBDPMFKSA-N 2 0 381.525 -2.946 20 0 GAADRP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCCCCNC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001123951112 1073850823 /nfs/dbraw/zinc/85/08/23/1073850823.db2.gz UJUHIZGPTVMOSE-BRSBDYLESA-N 2 0 392.548 -1.224 20 0 GAADRP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NCCCCNC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001123951116 1073850606 /nfs/dbraw/zinc/85/06/06/1073850606.db2.gz UJUHIZGPTVMOSE-TVFCKZIOSA-N 2 0 392.548 -1.224 20 0 GAADRP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCCCCNC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001123951119 1073850404 /nfs/dbraw/zinc/85/04/04/1073850404.db2.gz UJUHIZGPTVMOSE-USTZCAOPSA-N 2 0 392.548 -1.224 20 0 GAADRP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCCCCNC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001123951122 1073850658 /nfs/dbraw/zinc/85/06/58/1073850658.db2.gz UJUHIZGPTVMOSE-XMTFNYHQSA-N 2 0 392.548 -1.224 20 0 GAADRP CN1CCN(C(=O)CNC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC001123991261 1073851331 /nfs/dbraw/zinc/85/13/31/1073851331.db2.gz UFTKARPBSFZIMP-INIZCTEOSA-N 2 0 395.504 -1.410 20 0 GAADRP CN1CCN(C(=O)CNC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC001123991262 1073851415 /nfs/dbraw/zinc/85/14/15/1073851415.db2.gz UFTKARPBSFZIMP-MRXNPFEDSA-N 2 0 395.504 -1.410 20 0 GAADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H](n3ccnn3)C2)CC[N@@H+]1C ZINC001129850248 1075020414 /nfs/dbraw/zinc/02/04/14/1075020414.db2.gz VDASPVJWXKZQQK-DGAVXFQQSA-N 2 0 392.464 -1.455 20 0 GAADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001129855450 1075020850 /nfs/dbraw/zinc/02/08/50/1075020850.db2.gz LMUXGDYZXFCJTR-SYQHCUMBSA-N 2 0 392.464 -1.585 20 0 GAADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H](n3ccnn3)C2)CC[N@@H+]1C ZINC001129856185 1075020995 /nfs/dbraw/zinc/02/09/95/1075020995.db2.gz ZXSMFUBZCWWGSF-LPWJVIDDSA-N 2 0 378.437 -1.845 20 0 GAADRP C[C@@H]1[C@H](C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CC(N)=O)n[nH]2)CC[N@@H+]1C ZINC001130212854 1075024604 /nfs/dbraw/zinc/02/46/04/1075024604.db2.gz HPWIZRNNYBPFAN-NDBYEHHHSA-N 2 0 379.465 -1.292 20 0 GAADRP CNC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001130213244 1075024660 /nfs/dbraw/zinc/02/46/60/1075024660.db2.gz VTVCZSNMRIGBSF-MQYQWHSLSA-N 2 0 393.492 -1.031 20 0 GAADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CC(=O)NC(N)=O)C2)CC[N@@H+]1C ZINC001130592828 1075026094 /nfs/dbraw/zinc/02/60/94/1075026094.db2.gz GVCWRPLEZFNISW-GUIRCDHDSA-N 2 0 391.476 -1.161 20 0 GAADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CC(=O)NC(N)=O)C2)CC[N@@H+]1C ZINC001130994266 1075028989 /nfs/dbraw/zinc/02/89/89/1075028989.db2.gz QWFSUNBVJMZWPP-AAVRWANBSA-N 2 0 391.476 -1.161 20 0 GAADRP C[NH+](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 1073880747 /nfs/dbraw/zinc/88/07/47/1073880747.db2.gz LVGOGRXEUSWKBI-IICXDKKESA-N 2 0 399.496 -1.031 20 0 GAADRP C[NH+](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 1073880643 /nfs/dbraw/zinc/88/06/43/1073880643.db2.gz LVGOGRXEUSWKBI-RDUHTLEXSA-N 2 0 399.496 -1.031 20 0 GAADRP C[NH+](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 1073880993 /nfs/dbraw/zinc/88/09/93/1073880993.db2.gz LVGOGRXEUSWKBI-UNPMEBSKSA-N 2 0 399.496 -1.031 20 0 GAADRP C[NH+](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 1073880795 /nfs/dbraw/zinc/88/07/95/1073880795.db2.gz LVGOGRXEUSWKBI-YOPIWALVSA-N 2 0 399.496 -1.031 20 0 GAADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC001142392519 1073885784 /nfs/dbraw/zinc/88/57/84/1073885784.db2.gz WRJUCOITJMWRFK-UHFFFAOYSA-N 2 0 378.437 -1.502 20 0 GAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)CN(C)C(N)=[NH2+])c2nonc21 ZINC001144143606 1075054955 /nfs/dbraw/zinc/05/49/55/1075054955.db2.gz UQTUUMHOXUJBRJ-UHFFFAOYSA-N 2 0 398.449 -1.410 20 0 GAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])CCCNC(=O)c1cnccn1 ZINC001157323581 1073924534 /nfs/dbraw/zinc/92/45/34/1073924534.db2.gz UODASVISRLQQJI-STQMWFEESA-N 2 0 379.465 -1.326 20 0 GAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001157335694 1073924450 /nfs/dbraw/zinc/92/44/50/1073924450.db2.gz ISCNAEHLYDRUAH-AVGNSLFASA-N 2 0 384.481 -2.199 20 0 GAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001157337476 1073924414 /nfs/dbraw/zinc/92/44/14/1073924414.db2.gz VVUCTPAGHNUKHH-KKUMJFAQSA-N 3 0 384.525 -1.207 20 0 GAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001157371508 1073924512 /nfs/dbraw/zinc/92/45/12/1073924512.db2.gz XNIWMEATGKTPRL-ZDUSSCGKSA-N 2 0 377.511 -1.557 20 0 GAADRP [NH3+]CCCC[C@H](NC(=O)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2)C(=O)N1CCCC1 ZINC001157371771 1073924603 /nfs/dbraw/zinc/92/46/03/1073924603.db2.gz YXWTZOMKKRWAOM-KBPBESRZSA-N 2 0 386.518 -1.001 20 0 GAADRP [NH3+]CCCC[C@H](NC(=O)[C@H]1CCS(=O)(=O)C12C[NH2+]C2)C(=O)N1CCCC1 ZINC001157371777 1073924554 /nfs/dbraw/zinc/92/45/54/1073924554.db2.gz YXWTZOMKKRWAOM-KGLIPLIRSA-N 2 0 386.518 -1.001 20 0 GAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1)C(N)=O ZINC001157385977 1073925228 /nfs/dbraw/zinc/92/52/28/1073925228.db2.gz FPLOWVYNJUIOSX-MJBXVCDLSA-N 2 0 398.508 -1.680 20 0 GAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001157386456 1073925047 /nfs/dbraw/zinc/92/50/47/1073925047.db2.gz MLDBIJCNUNFTDU-AVGNSLFASA-N 2 0 384.481 -2.070 20 0 GAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCCNC(=O)C(F)(F)Br ZINC001157435652 1073925638 /nfs/dbraw/zinc/92/56/38/1073925638.db2.gz ZYQMRXUHYYAYQZ-SECBINFHSA-N 2 0 386.241 -1.043 20 0 GAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCCNC(=O)C(F)(F)Br ZINC001157435661 1073925847 /nfs/dbraw/zinc/92/58/47/1073925847.db2.gz ZYQMRXUHYYAYQZ-VIFPVBQESA-N 2 0 386.241 -1.043 20 0 GAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC(C)([NH3+])C1)C(=O)CF ZINC001157643572 1073927114 /nfs/dbraw/zinc/92/71/14/1073927114.db2.gz BOMKSRZCOQNPRC-MJVIPROJSA-N 2 0 387.456 -1.553 20 0 GAADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N(C)C[C@@H]1C[NH2+]CCO1 ZINC001157720244 1073927195 /nfs/dbraw/zinc/92/71/95/1073927195.db2.gz DLJURBCIANOKEP-JYJNAYRXSA-N 2 0 397.520 -1.168 20 0 GAADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N(C)C[C@H]1C[NH2+]CCO1 ZINC001157720245 1073927276 /nfs/dbraw/zinc/92/72/76/1073927276.db2.gz DLJURBCIANOKEP-PMPSAXMXSA-N 2 0 397.520 -1.168 20 0 GAADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC001157721000 1073927219 /nfs/dbraw/zinc/92/72/19/1073927219.db2.gz RIFVYHFQLHCDDS-JYJNAYRXSA-N 2 0 380.445 -1.814 20 0 GAADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC001157721001 1073927082 /nfs/dbraw/zinc/92/70/82/1073927082.db2.gz RIFVYHFQLHCDDS-PMPSAXMXSA-N 2 0 380.445 -1.814 20 0 GAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC(=O)N(C2CC2)C(=O)C1 ZINC001157863399 1073928640 /nfs/dbraw/zinc/92/86/40/1073928640.db2.gz WRFKUBRPJBEORN-KBPBESRZSA-N 2 0 379.461 -1.207 20 0 GAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC001157966958 1073929103 /nfs/dbraw/zinc/92/91/03/1073929103.db2.gz AHTVGAGNBJGHQX-AWEZNQCLSA-N 2 0 390.444 -2.533 20 0 GAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001157966959 1073929333 /nfs/dbraw/zinc/92/93/33/1073929333.db2.gz AHTVGAGNBJGHQX-CQSZACIVSA-N 2 0 390.444 -2.533 20 0 GAADRP CCOC(=O)[C@@H]1CNCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001158000443 1073930056 /nfs/dbraw/zinc/93/00/56/1073930056.db2.gz XJQFFBUAALINPL-KKUMJFAQSA-N 2 0 383.493 -1.203 20 0 GAADRP CCOC(=O)[C@H]1CNCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001158000444 1073929924 /nfs/dbraw/zinc/92/99/24/1073929924.db2.gz XJQFFBUAALINPL-SOUVJXGZSA-N 2 0 383.493 -1.203 20 0 GAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158070463 1073930024 /nfs/dbraw/zinc/93/00/24/1073930024.db2.gz IXTQSXQIMAEVAM-UHFFFAOYSA-N 2 0 384.437 -3.725 20 0 GAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158076857 1073929963 /nfs/dbraw/zinc/92/99/63/1073929963.db2.gz NPVSKCUXTPCYEG-KBPBESRZSA-N 2 0 381.477 -1.578 20 0 GAADRP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158091733 1073930411 /nfs/dbraw/zinc/93/04/11/1073930411.db2.gz HNGBRSJFKKWEPX-SJCJKPOMSA-N 2 0 375.433 -1.996 20 0 GAADRP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158091734 1073930466 /nfs/dbraw/zinc/93/04/66/1073930466.db2.gz HNGBRSJFKKWEPX-YVEFUNNKSA-N 2 0 375.433 -1.996 20 0 GAADRP [NH3+][C@@H](CCCCNC(=O)c1ccccn1)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158092617 1073930503 /nfs/dbraw/zinc/93/05/03/1073930503.db2.gz OHPAWFVUJFNKEO-IFXJQAMLSA-N 2 0 388.472 -1.001 20 0 GAADRP [NH3+][C@@H](CCCCNC(=O)c1ccccn1)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158092619 1073930548 /nfs/dbraw/zinc/93/05/48/1073930548.db2.gz OHPAWFVUJFNKEO-LIRRHRJNSA-N 2 0 388.472 -1.001 20 0 GAADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158102205 1073930581 /nfs/dbraw/zinc/93/05/81/1073930581.db2.gz PEYDYALGQDGHGC-CKFHNAJUSA-N 2 0 395.504 -1.190 20 0 GAADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158102206 1073930590 /nfs/dbraw/zinc/93/05/90/1073930590.db2.gz PEYDYALGQDGHGC-NJSLBKSFSA-N 2 0 395.504 -1.190 20 0 GAADRP [NH3+]CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158102443 1073930574 /nfs/dbraw/zinc/93/05/74/1073930574.db2.gz SACPDUJSGFUBSE-JXFKEZNVSA-N 2 0 398.467 -1.156 20 0 GAADRP [NH3+]CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158102444 1073930485 /nfs/dbraw/zinc/93/04/85/1073930485.db2.gz SACPDUJSGFUBSE-OXJNMPFZSA-N 2 0 398.467 -1.156 20 0 GAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158102937 1073930525 /nfs/dbraw/zinc/93/05/25/1073930525.db2.gz YHWOLNMKECDXLS-DEYYWGMASA-N 3 0 380.493 -1.876 20 0 GAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158102938 1073930603 /nfs/dbraw/zinc/93/06/03/1073930603.db2.gz YHWOLNMKECDXLS-SUNYJGFJSA-N 3 0 380.493 -1.876 20 0 GAADRP [NH3+][C@@H](CCCCNC(=O)C(F)(F)F)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158102943 1073930539 /nfs/dbraw/zinc/93/05/39/1073930539.db2.gz YJHGOWNYWZJVAL-HZMBPMFUSA-N 2 0 379.383 -1.147 20 0 GAADRP [NH3+][C@@H](CCCCNC(=O)C(F)(F)F)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158102944 1073930565 /nfs/dbraw/zinc/93/05/65/1073930565.db2.gz YJHGOWNYWZJVAL-IINYFYTJSA-N 2 0 379.383 -1.147 20 0 GAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158102977 1073930595 /nfs/dbraw/zinc/93/05/95/1073930595.db2.gz ZHYPXVGDWPOOAM-NVGCLXPQSA-N 2 0 380.449 -2.869 20 0 GAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158102978 1073930610 /nfs/dbraw/zinc/93/06/10/1073930610.db2.gz ZHYPXVGDWPOOAM-PRXAMGSTSA-N 2 0 380.449 -2.869 20 0 GAADRP O=C([C@@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158109373 1073931283 /nfs/dbraw/zinc/93/12/83/1073931283.db2.gz BUSXDVMOHRPZGY-KPZWWZAWSA-N 2 0 386.460 -2.138 20 0 GAADRP O=C([C@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158109376 1073931152 /nfs/dbraw/zinc/93/11/52/1073931152.db2.gz BUSXDVMOHRPZGY-KZULUSFZSA-N 2 0 386.460 -2.138 20 0 GAADRP O=C([C@@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158109377 1073931270 /nfs/dbraw/zinc/93/12/70/1073931270.db2.gz BUSXDVMOHRPZGY-SGTLLEGYSA-N 2 0 386.460 -2.138 20 0 GAADRP O=C([C@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158109378 1073931135 /nfs/dbraw/zinc/93/11/35/1073931135.db2.gz BUSXDVMOHRPZGY-XIKOKIGWSA-N 2 0 386.460 -2.138 20 0 GAADRP O=C([C@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158110296 1073931263 /nfs/dbraw/zinc/93/12/63/1073931263.db2.gz GDCXOAOPHBBOLA-ACJLOTCBSA-N 2 0 396.513 -1.661 20 0 GAADRP O=C([C@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158110299 1073931098 /nfs/dbraw/zinc/93/10/98/1073931098.db2.gz GDCXOAOPHBBOLA-FZKQIMNGSA-N 2 0 396.513 -1.661 20 0 GAADRP O=C([C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158110301 1073931216 /nfs/dbraw/zinc/93/12/16/1073931216.db2.gz GDCXOAOPHBBOLA-SCLBCKFNSA-N 2 0 396.513 -1.661 20 0 GAADRP O=C([C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158110303 1073931276 /nfs/dbraw/zinc/93/12/76/1073931276.db2.gz GDCXOAOPHBBOLA-UGSOOPFHSA-N 2 0 396.513 -1.661 20 0 GAADRP O=C([C@H]1Cn2cnnc2C12CC[NH2+]CC2)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158110822 1073931109 /nfs/dbraw/zinc/93/11/09/1073931109.db2.gz IXXXIRJACUFLQB-BFUOFWGJSA-N 2 0 385.472 -1.533 20 0 GAADRP O=C([C@@H]1Cn2cnnc2C12CC[NH2+]CC2)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158110832 1073931255 /nfs/dbraw/zinc/93/12/55/1073931255.db2.gz IXXXIRJACUFLQB-DJJJIMSYSA-N 2 0 385.472 -1.533 20 0 GAADRP O=C([C@@H]1Cn2cnnc2C12CC[NH2+]CC2)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158110835 1073931248 /nfs/dbraw/zinc/93/12/48/1073931248.db2.gz IXXXIRJACUFLQB-ORAYPTAESA-N 2 0 385.472 -1.533 20 0 GAADRP O=C([C@H]1Cn2cnnc2C12CC[NH2+]CC2)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158110838 1073931035 /nfs/dbraw/zinc/93/10/35/1073931035.db2.gz IXXXIRJACUFLQB-YJYMSZOUSA-N 2 0 385.472 -1.533 20 0 GAADRP O=C(c1cnn2c1nccc2[C@@H]1C[NH2+]CCO1)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158111887 1073931183 /nfs/dbraw/zinc/93/11/83/1073931183.db2.gz RZYVZGBLBJRXEQ-KBXCAEBGSA-N 2 0 385.428 -1.306 20 0 GAADRP O=C(c1cnn2c1nccc2[C@H]1C[NH2+]CCO1)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158111891 1073931233 /nfs/dbraw/zinc/93/12/33/1073931233.db2.gz RZYVZGBLBJRXEQ-KDOFPFPSSA-N 2 0 385.428 -1.306 20 0 GAADRP O=C(c1cnn2c1nccc2[C@@H]1C[NH2+]CCO1)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158111893 1073931659 /nfs/dbraw/zinc/93/16/59/1073931659.db2.gz RZYVZGBLBJRXEQ-KSSFIOAISA-N 2 0 385.428 -1.306 20 0 GAADRP O=C(c1cnn2c1nccc2[C@H]1C[NH2+]CCO1)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158111896 1073931804 /nfs/dbraw/zinc/93/18/04/1073931804.db2.gz RZYVZGBLBJRXEQ-RDTXWAMCSA-N 2 0 385.428 -1.306 20 0 GAADRP C[N@@H+]1C[C@H](C(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)OC2(CC[NH2+]CC2)C1 ZINC001158112053 1073931945 /nfs/dbraw/zinc/93/19/45/1073931945.db2.gz UDWBZFXDZKNMBO-AUUYWEPGSA-N 3 0 377.489 -1.623 20 0 GAADRP C[N@@H+]1C[C@@H](C(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)OC2(CC[NH2+]CC2)C1 ZINC001158112054 1073931886 /nfs/dbraw/zinc/93/18/86/1073931886.db2.gz UDWBZFXDZKNMBO-IFXJQAMLSA-N 3 0 377.489 -1.623 20 0 GAADRP C[N@@H+]1C[C@H](C(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)OC2(CC[NH2+]CC2)C1 ZINC001158112055 1073931861 /nfs/dbraw/zinc/93/18/61/1073931861.db2.gz UDWBZFXDZKNMBO-KUHUBIRLSA-N 3 0 377.489 -1.623 20 0 GAADRP C[N@@H+]1C[C@@H](C(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)OC2(CC[NH2+]CC2)C1 ZINC001158112056 1073931984 /nfs/dbraw/zinc/93/19/84/1073931984.db2.gz UDWBZFXDZKNMBO-LIRRHRJNSA-N 3 0 377.489 -1.623 20 0 GAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1)C(N)=O ZINC001158120183 1073931779 /nfs/dbraw/zinc/93/17/79/1073931779.db2.gz KBVSVUXZZPEALD-RVPKQNPDSA-N 2 0 380.449 -2.978 20 0 GAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1)C(N)=O ZINC001158120184 1073931911 /nfs/dbraw/zinc/93/19/11/1073931911.db2.gz KBVSVUXZZPEALD-WVQJBOLRSA-N 2 0 380.449 -2.978 20 0 GAADRP O=C([C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120379 1073932023 /nfs/dbraw/zinc/93/20/23/1073932023.db2.gz LOJWFBBTKAFNAK-CKFHNAJUSA-N 2 0 375.473 -1.333 20 0 GAADRP O=C([C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120381 1073931763 /nfs/dbraw/zinc/93/17/63/1073931763.db2.gz LOJWFBBTKAFNAK-NJSLBKSFSA-N 2 0 375.473 -1.333 20 0 GAADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120614 1073931966 /nfs/dbraw/zinc/93/19/66/1073931966.db2.gz OLDQFGSDRYJFOI-MGPUTAFESA-N 2 0 385.468 -1.389 20 0 GAADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120619 1073931715 /nfs/dbraw/zinc/93/17/15/1073931715.db2.gz OLDQFGSDRYJFOI-YWZLYKJASA-N 2 0 385.468 -1.389 20 0 GAADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)COC1(C)C ZINC001158120733 1073932011 /nfs/dbraw/zinc/93/20/11/1073932011.db2.gz PPFZCUSLJRQVQM-OAVHHTNSSA-N 2 0 379.461 -1.765 20 0 GAADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)COC1(C)C ZINC001158120735 1073931927 /nfs/dbraw/zinc/93/19/27/1073931927.db2.gz PPFZCUSLJRQVQM-PZROIBLQSA-N 2 0 379.461 -1.765 20 0 GAADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158121455 1073931700 /nfs/dbraw/zinc/93/17/00/1073931700.db2.gz UMOQMFJVQHLDFD-KPZWWZAWSA-N 2 0 381.477 -1.817 20 0 GAADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158121456 1073931680 /nfs/dbraw/zinc/93/16/80/1073931680.db2.gz UMOQMFJVQHLDFD-SGTLLEGYSA-N 2 0 381.477 -1.817 20 0 GAADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158121489 1073931837 /nfs/dbraw/zinc/93/18/37/1073931837.db2.gz UYCDBNRCFQDKHV-MGPUTAFESA-N 2 0 385.468 -1.389 20 0 GAADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158121490 1073931820 /nfs/dbraw/zinc/93/18/20/1073931820.db2.gz UYCDBNRCFQDKHV-YWZLYKJASA-N 2 0 385.468 -1.389 20 0 GAADRP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158179081 1073932320 /nfs/dbraw/zinc/93/23/20/1073932320.db2.gz GVOYFNBVKHHYAD-BSWAZPDLSA-N 2 0 392.456 -1.814 20 0 GAADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158277477 1073932932 /nfs/dbraw/zinc/93/29/32/1073932932.db2.gz OZDLNKHVQGUOBR-ZDUSSCGKSA-N 2 0 393.492 -1.042 20 0 GAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1)C(N)=O ZINC001158277568 1073932912 /nfs/dbraw/zinc/93/29/12/1073932912.db2.gz PXWXULUBFVGUOQ-NWDGAFQWSA-N 2 0 392.464 -2.204 20 0 GAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC2(CC1)COCC(=O)N2 ZINC001158326870 1073932978 /nfs/dbraw/zinc/93/29/78/1073932978.db2.gz OGVQOUVWYSMSPE-GJZGRUSLSA-N 2 0 395.504 -1.059 20 0 GAADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001158496595 1073934051 /nfs/dbraw/zinc/93/40/51/1073934051.db2.gz UJIJBFKVMRWZAS-RFQIPJPRSA-N 2 0 389.460 -1.324 20 0 GAADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001158496596 1073934060 /nfs/dbraw/zinc/93/40/60/1073934060.db2.gz UJIJBFKVMRWZAS-XDQVBPFNSA-N 2 0 389.460 -1.324 20 0 GAADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O ZINC001158497516 1073934197 /nfs/dbraw/zinc/93/41/97/1073934197.db2.gz ATMCVMBVWDVLTB-IEECTRCBSA-N 2 0 383.449 -2.164 20 0 GAADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001158506390 1073934106 /nfs/dbraw/zinc/93/41/06/1073934106.db2.gz OWHMJUAYDZUYQF-XDQVBPFNSA-N 2 0 384.477 -1.003 20 0 GAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158532843 1073934066 /nfs/dbraw/zinc/93/40/66/1073934066.db2.gz FHLPRCBEDCDHDN-PSTGCABASA-N 2 0 396.448 -3.727 20 0 GAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158532849 1073934713 /nfs/dbraw/zinc/93/47/13/1073934713.db2.gz FHLPRCBEDCDHDN-XWCIJXRUSA-N 2 0 396.448 -3.727 20 0 GAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158548761 1073934731 /nfs/dbraw/zinc/93/47/31/1073934731.db2.gz YWOAKPRGCXLMOA-KVMGVCFTSA-N 2 0 393.488 -1.580 20 0 GAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158548762 1073934746 /nfs/dbraw/zinc/93/47/46/1073934746.db2.gz YWOAKPRGCXLMOA-WSVVRNJXSA-N 2 0 393.488 -1.580 20 0 GAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001158580046 1073934643 /nfs/dbraw/zinc/93/46/43/1073934643.db2.gz ZRYGZGFVJMBKMK-CRWXNKLISA-N 2 0 383.468 -1.024 20 0 GAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158580047 1073934765 /nfs/dbraw/zinc/93/47/65/1073934765.db2.gz ZRYGZGFVJMBKMK-DGAVXFQQSA-N 2 0 383.468 -1.024 20 0 GAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158580048 1073934789 /nfs/dbraw/zinc/93/47/89/1073934789.db2.gz ZRYGZGFVJMBKMK-FQUUOJAGSA-N 2 0 383.468 -1.024 20 0 GAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001158580049 1073934597 /nfs/dbraw/zinc/93/45/97/1073934597.db2.gz ZRYGZGFVJMBKMK-XUXIUFHCSA-N 2 0 383.468 -1.024 20 0 GAADRP O=C([C@@H]1COC2(C[NH2+]C2)CN1)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1 ZINC001158658957 1073935309 /nfs/dbraw/zinc/93/53/09/1073935309.db2.gz NICUBCLMFXEYQZ-AWEZNQCLSA-N 2 0 385.428 -1.026 20 0 GAADRP O=C([C@H]1COC2(C[NH2+]C2)CN1)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1 ZINC001158658959 1073935283 /nfs/dbraw/zinc/93/52/83/1073935283.db2.gz NICUBCLMFXEYQZ-CQSZACIVSA-N 2 0 385.428 -1.026 20 0 GAADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001158734828 1073935889 /nfs/dbraw/zinc/93/58/89/1073935889.db2.gz GEPXJFAOZMSCAQ-GFCCVEGCSA-N 2 0 385.446 -2.061 20 0 GAADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001158734829 1073935913 /nfs/dbraw/zinc/93/59/13/1073935913.db2.gz GEPXJFAOZMSCAQ-LBPRGKRZSA-N 2 0 385.446 -2.061 20 0 GAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001158735013 1073936037 /nfs/dbraw/zinc/93/60/37/1073936037.db2.gz JYDNHLOKSNGGNN-WPRPVWTQSA-N 2 0 389.434 -2.567 20 0 GAADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@@H](N)CSCC[NH3+] ZINC001158735170 1073936074 /nfs/dbraw/zinc/93/60/74/1073936074.db2.gz QAAAOXIERBEKSW-JTQLQIEISA-N 2 0 377.492 -1.372 20 0 GAADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC001158735665 1073935868 /nfs/dbraw/zinc/93/58/68/1073935868.db2.gz WRLNCUNPXPTLCV-LBPRGKRZSA-N 2 0 399.473 -1.052 20 0 GAADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001158735970 1073936066 /nfs/dbraw/zinc/93/60/66/1073936066.db2.gz XKJRMODREFFMJR-BDJLRTHQSA-N 3 0 383.474 -1.192 20 0 GAADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001158735980 1073935824 /nfs/dbraw/zinc/93/58/24/1073935824.db2.gz XWWNHYUKLLDMCB-LBPRGKRZSA-N 2 0 385.446 -1.442 20 0 GAADRP CN(C)C(=O)COCc1noc2c1CN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)CC2 ZINC001158747864 1073936745 /nfs/dbraw/zinc/93/67/45/1073936745.db2.gz SHTRJFXGJLLVLD-CYBMUJFWSA-N 2 0 377.445 -1.027 20 0 GAADRP CN(C)C(=O)COCc1noc2c1CN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)CC2 ZINC001158747866 1073936811 /nfs/dbraw/zinc/93/68/11/1073936811.db2.gz SHTRJFXGJLLVLD-ZDUSSCGKSA-N 2 0 377.445 -1.027 20 0 GAADRP CC(C)N(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])c1ncnc2c1CC[NH2+]CC2 ZINC001158758546 1073936775 /nfs/dbraw/zinc/93/67/75/1073936775.db2.gz ASZPNLFYECHHID-FZMZJTMJSA-N 2 0 391.476 -1.386 20 0 GAADRP CNC(=O)CO[C@H]1COC2(C1)CCN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)CC2 ZINC001158814828 1073937344 /nfs/dbraw/zinc/93/73/44/1073937344.db2.gz QWBAUZXOUYGQJU-CVEARBPZSA-N 2 0 397.520 -1.351 20 0 GAADRP CNC(=O)CO[C@@H]1COC2(C1)CCN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)CC2 ZINC001158814829 1073937254 /nfs/dbraw/zinc/93/72/54/1073937254.db2.gz QWBAUZXOUYGQJU-HOTGVXAUSA-N 2 0 397.520 -1.351 20 0 GAADRP CNC(=O)CO[C@H]1COC2(C1)CCN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)CC2 ZINC001158814830 1073937950 /nfs/dbraw/zinc/93/79/50/1073937950.db2.gz QWBAUZXOUYGQJU-HZPDHXFCSA-N 2 0 397.520 -1.351 20 0 GAADRP CNC(=O)CO[C@@H]1COC2(C1)CCN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)CC2 ZINC001158814831 1073938031 /nfs/dbraw/zinc/93/80/31/1073938031.db2.gz QWBAUZXOUYGQJU-JKSUJKDBSA-N 2 0 397.520 -1.351 20 0 GAADRP O=C(N1CCn2c(CN3CCOCC3)nnc2C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001158821382 1073938460 /nfs/dbraw/zinc/93/84/60/1073938460.db2.gz JQIKQTPPJOAGJW-RDTXWAMCSA-N 2 0 375.477 -1.348 20 0 GAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001158835136 1073938644 /nfs/dbraw/zinc/93/86/44/1073938644.db2.gz YRDKFYGFTYJABT-HNNXBMFYSA-N 2 0 392.508 -1.797 20 0 GAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001158835137 1073938607 /nfs/dbraw/zinc/93/86/07/1073938607.db2.gz YRDKFYGFTYJABT-OAHLLOKOSA-N 2 0 392.508 -1.797 20 0 GAADRP CC(C)[N@H+](C)Cc1[nH]nc2c1CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C2 ZINC001158855532 1073938478 /nfs/dbraw/zinc/93/84/78/1073938478.db2.gz GVXNZPDWZISCNF-AAEUAGOBSA-N 2 0 393.492 -1.158 20 0 GAADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CC2 ZINC001158890243 1073938756 /nfs/dbraw/zinc/93/87/56/1073938756.db2.gz BUOKMEHICZLMDQ-STQMWFEESA-N 2 0 396.492 -2.103 20 0 GAADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)CC2 ZINC001158890766 1073938403 /nfs/dbraw/zinc/93/84/03/1073938403.db2.gz MOOQXGKIZVADQQ-UHFFFAOYSA-N 2 0 389.522 -1.590 20 0 GAADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)CC2 ZINC001158890961 1073938512 /nfs/dbraw/zinc/93/85/12/1073938512.db2.gz RBWGEMSPNAHJGQ-INIZCTEOSA-N 3 0 380.537 -1.060 20 0 GAADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)CC2 ZINC001158890962 1073939281 /nfs/dbraw/zinc/93/92/81/1073939281.db2.gz RBWGEMSPNAHJGQ-MRXNPFEDSA-N 3 0 380.537 -1.060 20 0 GAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1 ZINC001158968347 1073939363 /nfs/dbraw/zinc/93/93/63/1073939363.db2.gz OPCYYXNAEUIMIR-OAGGEKHMSA-N 2 0 375.477 -1.357 20 0 GAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1 ZINC001158968348 1073939270 /nfs/dbraw/zinc/93/92/70/1073939270.db2.gz OPCYYXNAEUIMIR-XHSDSOJGSA-N 2 0 375.477 -1.357 20 0 GAADRP COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001158990932 1073942115 /nfs/dbraw/zinc/94/21/15/1073942115.db2.gz HCMRNWCZFUMBIJ-JSGCOSHPSA-N 2 0 384.506 -1.377 20 0 GAADRP COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001158990933 1073942168 /nfs/dbraw/zinc/94/21/68/1073942168.db2.gz HCMRNWCZFUMBIJ-OCCSQVGLSA-N 2 0 384.506 -1.377 20 0 GAADRP COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001158991123 1073942082 /nfs/dbraw/zinc/94/20/82/1073942082.db2.gz IPMZAMGKBFFBQW-DZGCQCFKSA-N 2 0 376.461 -1.587 20 0 GAADRP COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001158991124 1073942153 /nfs/dbraw/zinc/94/21/53/1073942153.db2.gz IPMZAMGKBFFBQW-HIFRSBDPSA-N 2 0 376.461 -1.587 20 0 GAADRP COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001158991125 1073942283 /nfs/dbraw/zinc/94/22/83/1073942283.db2.gz IPMZAMGKBFFBQW-UKRRQHHQSA-N 2 0 376.461 -1.587 20 0 GAADRP COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001158991126 1073942210 /nfs/dbraw/zinc/94/22/10/1073942210.db2.gz IPMZAMGKBFFBQW-ZFWWWQNUSA-N 2 0 376.461 -1.587 20 0 GAADRP COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001158991734 1073943103 /nfs/dbraw/zinc/94/31/03/1073943103.db2.gz PPDLBEJTZFTGKQ-GDBMZVCRSA-N 2 0 378.477 -1.069 20 0 GAADRP COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001158991735 1073942957 /nfs/dbraw/zinc/94/29/57/1073942957.db2.gz PPDLBEJTZFTGKQ-GOEBONIOSA-N 2 0 378.477 -1.069 20 0 GAADRP COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001158991736 1073942943 /nfs/dbraw/zinc/94/29/43/1073942943.db2.gz PPDLBEJTZFTGKQ-HOCLYGCPSA-N 2 0 378.477 -1.069 20 0 GAADRP COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001158991737 1073943087 /nfs/dbraw/zinc/94/30/87/1073943087.db2.gz PPDLBEJTZFTGKQ-ZBFHGGJFSA-N 2 0 378.477 -1.069 20 0 GAADRP COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001158991764 1073942729 /nfs/dbraw/zinc/94/27/29/1073942729.db2.gz PZEYWMMLAHSYCK-QMTMVMCOSA-N 2 0 390.488 -1.197 20 0 GAADRP COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001158991766 1073943176 /nfs/dbraw/zinc/94/31/76/1073943176.db2.gz PZEYWMMLAHSYCK-SPYBWZPUSA-N 2 0 390.488 -1.197 20 0 GAADRP O=C(Nc1cnccn1)[C@H]1COC[C@H]2CN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)C[C@H]21 ZINC001159071674 1073943547 /nfs/dbraw/zinc/94/35/47/1073943547.db2.gz ACMJFLIUSMHSQD-APIJFGDWSA-N 2 0 386.456 -1.055 20 0 GAADRP O=C(Nc1cnccn1)[C@H]1COC[C@H]2CN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)C[C@H]21 ZINC001159071675 1073943667 /nfs/dbraw/zinc/94/36/67/1073943667.db2.gz ACMJFLIUSMHSQD-KBXIAJHMSA-N 2 0 386.456 -1.055 20 0 GAADRP Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC2 ZINC001159073898 1073943568 /nfs/dbraw/zinc/94/35/68/1073943568.db2.gz FCQFYHMMFVESGM-AWEZNQCLSA-N 2 0 377.493 -1.241 20 0 GAADRP Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)[C@H]([NH3+])CCC[NH3+])CC2 ZINC001159073899 1073944186 /nfs/dbraw/zinc/94/41/86/1073944186.db2.gz FCQFYHMMFVESGM-CQSZACIVSA-N 2 0 377.493 -1.241 20 0 GAADRP Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)C[NH2+]CCC[NH3+])CC2 ZINC001159074010 1073944310 /nfs/dbraw/zinc/94/43/10/1073944310.db2.gz HAWWSEUDHYYYDT-UHFFFAOYSA-N 2 0 377.493 -1.369 20 0 GAADRP Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)cn1 ZINC001159090710 1073944894 /nfs/dbraw/zinc/94/48/94/1073944894.db2.gz HQHUJQCXJBMHDO-HRCADAONSA-N 2 0 375.477 -1.123 20 0 GAADRP Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)cn1 ZINC001159090712 1073945090 /nfs/dbraw/zinc/94/50/90/1073945090.db2.gz HQHUJQCXJBMHDO-OWCLPIDISA-N 2 0 375.477 -1.123 20 0 GAADRP Cn1nnc2c1CCN(C(=O)[C@H]1C[NH2+]CCN1)[C@@H]2COCC[NH+]1CCCC1 ZINC001159123891 1073945715 /nfs/dbraw/zinc/94/57/15/1073945715.db2.gz KNZGVIOOVZBDLO-GDBMZVCRSA-N 2 0 377.493 -1.085 20 0 GAADRP Cn1nnc2c1CCN(C(=O)[C@@H]1C[NH2+]CCN1)[C@@H]2COCC[NH+]1CCCC1 ZINC001159123893 1073945729 /nfs/dbraw/zinc/94/57/29/1073945729.db2.gz KNZGVIOOVZBDLO-GOEBONIOSA-N 2 0 377.493 -1.085 20 0 GAADRP Cn1nnc2c1CCN(C(=O)[C@@H]1C[NH2+]CCN1)[C@H]2COCC[NH+]1CCCC1 ZINC001159123894 1073945844 /nfs/dbraw/zinc/94/58/44/1073945844.db2.gz KNZGVIOOVZBDLO-HOCLYGCPSA-N 2 0 377.493 -1.085 20 0 GAADRP Cn1nnc2c1CCN(C(=O)[C@H]1C[NH2+]CCN1)[C@H]2COCC[NH+]1CCCC1 ZINC001159123895 1073945823 /nfs/dbraw/zinc/94/58/23/1073945823.db2.gz KNZGVIOOVZBDLO-ZBFHGGJFSA-N 2 0 377.493 -1.085 20 0 GAADRP Cn1nnc2c1CCN(C(=O)[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]2COCC[NH+]1CCCC1 ZINC001159123900 1073945736 /nfs/dbraw/zinc/94/57/36/1073945736.db2.gz KOSHUIRDCSBBTN-BMFZPTHFSA-N 2 0 378.477 -1.066 20 0 GAADRP Cn1nnc2c1CCN(C(=O)[C@@H]1C[NH2+]C[C@H]1O)[C@@H]2COCC[NH+]1CCCC1 ZINC001159123902 1073945801 /nfs/dbraw/zinc/94/58/01/1073945801.db2.gz KOSHUIRDCSBBTN-FVQBIDKESA-N 2 0 378.477 -1.066 20 0 GAADRP Cn1nnc2c1CCN(C(=O)[C@@H]1C[NH2+]C[C@@H]1O)[C@H]2COCC[NH+]1CCCC1 ZINC001159123903 1073945778 /nfs/dbraw/zinc/94/57/78/1073945778.db2.gz KOSHUIRDCSBBTN-KBMXLJTQSA-N 2 0 378.477 -1.066 20 0 GAADRP Cn1nnc2c1CCN(C(=O)[C@@H]1C[NH2+]C[C@H]1O)[C@H]2COCC[NH+]1CCCC1 ZINC001159123904 1073945850 /nfs/dbraw/zinc/94/58/50/1073945850.db2.gz KOSHUIRDCSBBTN-VNQPRFMTSA-N 2 0 378.477 -1.066 20 0 GAADRP CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)C2)C1 ZINC001159123945 1073946315 /nfs/dbraw/zinc/94/63/15/1073946315.db2.gz LCMXTXNORGPBOC-CRAIPNDOSA-N 2 0 379.505 -1.518 20 0 GAADRP CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)C2)C1 ZINC001159123946 1073946556 /nfs/dbraw/zinc/94/65/56/1073946556.db2.gz LCMXTXNORGPBOC-MAUKXSAKSA-N 2 0 379.505 -1.518 20 0 GAADRP CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)C2)C1 ZINC001159123947 1073946500 /nfs/dbraw/zinc/94/65/00/1073946500.db2.gz LCMXTXNORGPBOC-QAPCUYQASA-N 2 0 379.505 -1.518 20 0 GAADRP CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)C2)C1 ZINC001159123948 1073946483 /nfs/dbraw/zinc/94/64/83/1073946483.db2.gz LCMXTXNORGPBOC-YJBOKZPZSA-N 2 0 379.505 -1.518 20 0 GAADRP CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)C2)C1 ZINC001159124570 1073946439 /nfs/dbraw/zinc/94/64/39/1073946439.db2.gz OKHOSUHITQUNBG-LSTHTHJFSA-N 2 0 393.532 -1.128 20 0 GAADRP CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)C2)C1 ZINC001159124574 1073946584 /nfs/dbraw/zinc/94/65/84/1073946584.db2.gz OKHOSUHITQUNBG-NSISKUIASA-N 2 0 393.532 -1.128 20 0 GAADRP CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C2)C1 ZINC001159126030 1073946528 /nfs/dbraw/zinc/94/65/28/1073946528.db2.gz KISIRPLJOIUDHR-WMLDXEAASA-N 2 0 387.550 -1.307 20 0 GAADRP CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C2)C1 ZINC001159126031 1073946413 /nfs/dbraw/zinc/94/64/13/1073946413.db2.gz KISIRPLJOIUDHR-YOEHRIQHSA-N 2 0 387.550 -1.307 20 0 GAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1Cc2nccn2C[C@H](C[NH+](C)C)C1 ZINC001159132553 1073947279 /nfs/dbraw/zinc/94/72/79/1073947279.db2.gz ANHDUPJHVKRBQQ-AVGNSLFASA-N 2 0 379.465 -1.890 20 0 GAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1Cc2nccn2C[C@@H](C[NH+](C)C)C1 ZINC001159132556 1073947452 /nfs/dbraw/zinc/94/74/52/1073947452.db2.gz ANHDUPJHVKRBQQ-XQQFMLRXSA-N 2 0 379.465 -1.890 20 0 GAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001159135778 1073947367 /nfs/dbraw/zinc/94/73/67/1073947367.db2.gz ZJWZUELQUKAQFO-QCEMKRCNSA-N 2 0 388.472 -1.036 20 0 GAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001159159191 1073947393 /nfs/dbraw/zinc/94/73/93/1073947393.db2.gz YCPAAKWKXFRKAF-ZFWWWQNUSA-N 2 0 378.477 -1.312 20 0 GAADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)CC2 ZINC001159189109 1073947433 /nfs/dbraw/zinc/94/74/33/1073947433.db2.gz AQKJBONIWZGIBE-CYBMUJFWSA-N 3 0 376.461 -1.340 20 0 GAADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)CC2 ZINC001159189114 1073947352 /nfs/dbraw/zinc/94/73/52/1073947352.db2.gz AQKJBONIWZGIBE-ZDUSSCGKSA-N 3 0 376.461 -1.340 20 0 GAADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@H]([NH3+])CCCNC(N)=O)CC2 ZINC001159189203 1073947301 /nfs/dbraw/zinc/94/73/01/1073947301.db2.gz BGUSOUKPGFFPBG-GFCCVEGCSA-N 2 0 395.464 -1.374 20 0 GAADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@]13C[NH2+]C[C@@H]1CCN3)CC2 ZINC001159190341 1073947253 /nfs/dbraw/zinc/94/72/53/1073947253.db2.gz JFNHWUVDJHPTPL-KPZWWZAWSA-N 2 0 376.461 -1.198 20 0 GAADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@]13C[NH2+]C[C@H]1CCN3)CC2 ZINC001159190345 1073947839 /nfs/dbraw/zinc/94/78/39/1073947839.db2.gz JFNHWUVDJHPTPL-KZULUSFZSA-N 2 0 376.461 -1.198 20 0 GAADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@]13C[NH2+]C[C@@H]1CCN3)CC2 ZINC001159190348 1073948129 /nfs/dbraw/zinc/94/81/29/1073948129.db2.gz JFNHWUVDJHPTPL-SGTLLEGYSA-N 2 0 376.461 -1.198 20 0 GAADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@]13C[NH2+]C[C@H]1CCN3)CC2 ZINC001159190351 1073948001 /nfs/dbraw/zinc/94/80/01/1073948001.db2.gz JFNHWUVDJHPTPL-XIKOKIGWSA-N 2 0 376.461 -1.198 20 0 GAADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC2 ZINC001159190388 1073947986 /nfs/dbraw/zinc/94/79/86/1073947986.db2.gz JJTRJCWBYDRMJD-LBPRGKRZSA-N 3 0 384.506 -1.130 20 0 GAADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)CC2 ZINC001159190486 1073948035 /nfs/dbraw/zinc/94/80/35/1073948035.db2.gz KMVYAAXTRVKMNG-GWQKEKGPSA-N 2 0 385.490 -1.053 20 0 GAADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)CC2 ZINC001159190487 1073948108 /nfs/dbraw/zinc/94/81/08/1073948108.db2.gz KMVYAAXTRVKMNG-QDXKXIGTSA-N 2 0 385.490 -1.053 20 0 GAADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@H]1COC3(C[NH2+]C3)CN1)CC2 ZINC001159190981 1073947974 /nfs/dbraw/zinc/94/79/74/1073947974.db2.gz PGAKTKXBNKVPPR-CYBMUJFWSA-N 2 0 392.460 -1.819 20 0 GAADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@H]1COC3(C[NH2+]C3)CN1)CC2 ZINC001159190982 1073947824 /nfs/dbraw/zinc/94/78/24/1073947824.db2.gz PGAKTKXBNKVPPR-ZDUSSCGKSA-N 2 0 392.460 -1.819 20 0 GAADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3N1)CC2 ZINC001159191008 1073948149 /nfs/dbraw/zinc/94/81/49/1073948149.db2.gz PXHZKCGRUQDQIQ-FPMFFAJLSA-N 2 0 376.461 -1.199 20 0 GAADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@H]1CCCN1C(=O)C[NH3+])CC2 ZINC001159191046 1073948065 /nfs/dbraw/zinc/94/80/65/1073948065.db2.gz QRUXSJGBEGRULJ-ZDUSSCGKSA-N 2 0 392.460 -1.200 20 0 GAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001159192408 1073948079 /nfs/dbraw/zinc/94/80/79/1073948079.db2.gz RKEJUFYXNDBHPD-JQWIXIFHSA-N 2 0 396.448 -2.325 20 0 GAADRP CN(C)C(=O)NC[C@H]1OC[C@@H]2CCN(C(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)C[C@@H]21 ZINC001159202487 1073947857 /nfs/dbraw/zinc/94/78/57/1073947857.db2.gz IGBZLNKMRDFMSM-QMCVQRASSA-N 2 0 396.536 -1.129 20 0 GAADRP CN(C)C(=O)NC[C@H]1OC[C@@H]2CCN(C(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)C[C@@H]21 ZINC001159202488 1073947880 /nfs/dbraw/zinc/94/78/80/1073947880.db2.gz IGBZLNKMRDFMSM-QSPRXWTASA-N 2 0 396.536 -1.129 20 0 GAADRP COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001159224358 1073948669 /nfs/dbraw/zinc/94/86/69/1073948669.db2.gz IJICBUVJHZSUFY-KBPBESRZSA-N 2 0 386.460 -1.155 20 0 GAADRP COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001159224361 1073948613 /nfs/dbraw/zinc/94/86/13/1073948613.db2.gz IJICBUVJHZSUFY-KGLIPLIRSA-N 2 0 386.460 -1.155 20 0 GAADRP COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001159224364 1073948747 /nfs/dbraw/zinc/94/87/47/1073948747.db2.gz IJICBUVJHZSUFY-UONOGXRCSA-N 2 0 386.460 -1.155 20 0 GAADRP COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001159224366 1073948842 /nfs/dbraw/zinc/94/88/42/1073948842.db2.gz IJICBUVJHZSUFY-ZIAGYGMSSA-N 2 0 386.460 -1.155 20 0 GAADRP Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)cn1 ZINC001159235840 1073948649 /nfs/dbraw/zinc/94/86/49/1073948649.db2.gz FMTOMDVMHBQNKW-IXDOHACOSA-N 2 0 389.504 -1.014 20 0 GAADRP Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)cn1 ZINC001159235841 1073948701 /nfs/dbraw/zinc/94/87/01/1073948701.db2.gz FMTOMDVMHBQNKW-YESZJQIVSA-N 2 0 389.504 -1.014 20 0 GAADRP O=C(NCc1cnc2n1CCN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)C2)c1ccno1 ZINC001159272765 1073949500 /nfs/dbraw/zinc/94/95/00/1073949500.db2.gz OJSQUSQFEAHDJS-CYBMUJFWSA-N 2 0 385.428 -1.048 20 0 GAADRP O=C(NCc1cnc2n1CCN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)C2)c1ccno1 ZINC001159272766 1073949482 /nfs/dbraw/zinc/94/94/82/1073949482.db2.gz OJSQUSQFEAHDJS-ZDUSSCGKSA-N 2 0 385.428 -1.048 20 0 GAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001159273145 1073949433 /nfs/dbraw/zinc/94/94/33/1073949433.db2.gz PLXJAGZCAUMHCZ-OAGGEKHMSA-N 2 0 375.477 -1.357 20 0 GAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001159273148 1073949197 /nfs/dbraw/zinc/94/91/97/1073949197.db2.gz PLXJAGZCAUMHCZ-XHSDSOJGSA-N 2 0 375.477 -1.357 20 0 GAADRP Cc1ccc(N2CCO[C@H]3CN(C(=O)[C@@H]([NH3+])CN4CCC([NH3+])CC4)C[C@H]32)nn1 ZINC001159297393 1073949174 /nfs/dbraw/zinc/94/91/74/1073949174.db2.gz JWDAUEGPQLZQIC-BBWFWOEESA-N 2 0 389.504 -1.049 20 0 GAADRP Cc1ccc(N2CCO[C@H]3CN(C(=O)[C@H]([NH3+])CN4CCC([NH3+])CC4)C[C@H]32)nn1 ZINC001159297394 1073949385 /nfs/dbraw/zinc/94/93/85/1073949385.db2.gz JWDAUEGPQLZQIC-ZACQAIPSSA-N 2 0 389.504 -1.049 20 0 GAADRP [NH3+]C[C@H](O)CC(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393591 1073949993 /nfs/dbraw/zinc/94/99/93/1073949993.db2.gz FJGNCIJXLQTROK-HZSPNIEDSA-N 2 0 395.485 -1.473 20 0 GAADRP [NH3+]C[C@@H](O)CC(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393593 1073950079 /nfs/dbraw/zinc/95/00/79/1073950079.db2.gz FJGNCIJXLQTROK-MELADBBJSA-N 2 0 395.485 -1.473 20 0 GAADRP N[C@@H](CC[NH3+])C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393690 1073949961 /nfs/dbraw/zinc/94/99/61/1073949961.db2.gz IGKHWUUZEUKUBB-MELADBBJSA-N 2 0 394.501 -1.506 20 0 GAADRP [NH3+]CCNCC(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394787 1073950183 /nfs/dbraw/zinc/95/01/83/1073950183.db2.gz QYDZYPCOEFRHKF-UONOGXRCSA-N 2 0 394.501 -1.634 20 0 GAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159402281 1073950062 /nfs/dbraw/zinc/95/00/62/1073950062.db2.gz GLXONNWDQZPESZ-YYFQZIEXSA-N 2 0 392.460 -1.742 20 0 GAADRP O=C([C@H]1COC2(C[NH2+]C2)CN1)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159402942 1073949939 /nfs/dbraw/zinc/94/99/39/1073949939.db2.gz LKGLTGPPPAJUEQ-CAOSSQGBSA-N 2 0 388.472 -1.236 20 0 GAADRP O=C([C@@H]1COC2(C[NH2+]C2)CN1)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159402944 1073949895 /nfs/dbraw/zinc/94/98/95/1073949895.db2.gz LKGLTGPPPAJUEQ-YHUYYLMFSA-N 2 0 388.472 -1.236 20 0 GAADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@@H]2COC4(C[NH2+]C4)CN2)CC3)CC1 ZINC001159416957 1073949806 /nfs/dbraw/zinc/94/98/06/1073949806.db2.gz IRUGXBHLVJFUKW-INIZCTEOSA-N 2 0 389.504 -1.697 20 0 GAADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@H]2COC4(C[NH2+]C4)CN2)CC3)CC1 ZINC001159416961 1073949844 /nfs/dbraw/zinc/94/98/44/1073949844.db2.gz IRUGXBHLVJFUKW-MRXNPFEDSA-N 2 0 389.504 -1.697 20 0 GAADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@H]([NH3+])CCCNC(N)=O)CC3)CC1 ZINC001159417533 1073950201 /nfs/dbraw/zinc/95/02/01/1073950201.db2.gz UGADEXWLHHJSSZ-OAHLLOKOSA-N 2 0 392.508 -1.252 20 0 GAADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@@H]2CCCN2C(=O)C[NH3+])CC3)CC1 ZINC001159424278 1073950148 /nfs/dbraw/zinc/95/01/48/1073950148.db2.gz IHGCCHAQGUEZAU-INIZCTEOSA-N 2 0 389.504 -1.078 20 0 GAADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC3)CC1 ZINC001159424967 1073949862 /nfs/dbraw/zinc/94/98/62/1073949862.db2.gz NVSXWUAFUJBAAO-HNNXBMFYSA-N 3 0 381.550 -1.008 20 0 GAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001159426596 1073950090 /nfs/dbraw/zinc/95/00/90/1073950090.db2.gz YJSNOSLBWDXNLA-ZFWWWQNUSA-N 2 0 393.492 -2.203 20 0 GAADRP CN(C)C(=O)CN1CC[C@]2(CCCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C2)C1=O ZINC001159491929 1073951482 /nfs/dbraw/zinc/95/14/82/1073951482.db2.gz HFAZVBQGQBYAMB-GUYCJALGSA-N 2 0 385.534 -1.065 20 0 GAADRP CN(C)C(=O)CN1CC[C@@]2(CCCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C2)C1=O ZINC001159491931 1073951462 /nfs/dbraw/zinc/95/14/62/1073951462.db2.gz HFAZVBQGQBYAMB-SUMWQHHRSA-N 2 0 385.534 -1.065 20 0 GAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1Cc2[nH]nc(C(=O)N3CCOCC3)c2C1 ZINC001159493415 1073952126 /nfs/dbraw/zinc/95/21/26/1073952126.db2.gz OEOYENCXGZPQCG-AWEZNQCLSA-N 2 0 391.476 -1.525 20 0 GAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1Cc2[nH]nc(C(=O)N3CCOCC3)c2C1 ZINC001159493416 1073952184 /nfs/dbraw/zinc/95/21/84/1073952184.db2.gz OEOYENCXGZPQCG-CQSZACIVSA-N 2 0 391.476 -1.525 20 0 GAADRP CN(C)C(=O)CN1CC[C@@]2(CCCN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)C2)C1=O ZINC001159493598 1073952093 /nfs/dbraw/zinc/95/20/93/1073952093.db2.gz UQFKBTZVNQVQMS-KBXCAEBGSA-N 2 0 377.489 -1.275 20 0 GAADRP CN(C)C(=O)CN1CC[C@]2(CCCN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)C2)C1=O ZINC001159493600 1073952064 /nfs/dbraw/zinc/95/20/64/1073952064.db2.gz UQFKBTZVNQVQMS-KDOFPFPSSA-N 2 0 377.489 -1.275 20 0 GAADRP CN(C)C(=O)CN1CC[C@]2(CCCN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)C2)C1=O ZINC001159493603 1073951941 /nfs/dbraw/zinc/95/19/41/1073951941.db2.gz UQFKBTZVNQVQMS-KSSFIOAISA-N 2 0 377.489 -1.275 20 0 GAADRP CN(C)C(=O)CN1CC[C@@]2(CCCN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)C2)C1=O ZINC001159493605 1073952166 /nfs/dbraw/zinc/95/21/66/1073952166.db2.gz UQFKBTZVNQVQMS-RDTXWAMCSA-N 2 0 377.489 -1.275 20 0 GAADRP CC(=O)N(C)Cc1nnc2n1CCCN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C2 ZINC001159519652 1073952817 /nfs/dbraw/zinc/95/28/17/1073952817.db2.gz LEDASKBCGOWANT-HNNXBMFYSA-N 2 0 392.508 -1.261 20 0 GAADRP CC(=O)N(C)Cc1nnc2n1CCCN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C2 ZINC001159519653 1073952629 /nfs/dbraw/zinc/95/26/29/1073952629.db2.gz LEDASKBCGOWANT-OAHLLOKOSA-N 2 0 392.508 -1.261 20 0 GAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H](NC(=O)C2CCC2)[C@H]2COC[C@H]21 ZINC001159608505 1073954479 /nfs/dbraw/zinc/95/44/79/1073954479.db2.gz ILTUJXUJMZFALM-QBPKDAKJSA-N 2 0 379.505 -1.121 20 0 GAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H](NC(=O)C2CCC2)[C@H]2COC[C@H]21 ZINC001159608506 1073954587 /nfs/dbraw/zinc/95/45/87/1073954587.db2.gz ILTUJXUJMZFALM-YYIAUSFCSA-N 2 0 379.505 -1.121 20 0 GAADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@]13C[NH2+]C[C@@H]1CCN3)CC2 ZINC001159608554 1073955248 /nfs/dbraw/zinc/95/52/48/1073955248.db2.gz JKMMCDRHOGHECJ-JXFKEZNVSA-N 2 0 392.548 -1.365 20 0 GAADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@@]13C[NH2+]C[C@@H]1CCN3)CC2 ZINC001159608555 1073955296 /nfs/dbraw/zinc/95/52/96/1073955296.db2.gz JKMMCDRHOGHECJ-OXJNMPFZSA-N 2 0 392.548 -1.365 20 0 GAADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@@]13C[NH2+]C[C@H]1CCN3)CC2 ZINC001159608556 1073955269 /nfs/dbraw/zinc/95/52/69/1073955269.db2.gz JKMMCDRHOGHECJ-OXQOHEQNSA-N 2 0 392.548 -1.365 20 0 GAADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@]13C[NH2+]C[C@H]1CCN3)CC2 ZINC001159608557 1073955141 /nfs/dbraw/zinc/95/51/41/1073955141.db2.gz JKMMCDRHOGHECJ-UZLBHIALSA-N 2 0 392.548 -1.365 20 0 GAADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3N1)CC2 ZINC001159608978 1073955026 /nfs/dbraw/zinc/95/50/26/1073955026.db2.gz KKSIOXRIOUNGHI-YESZJQIVSA-N 2 0 392.548 -1.367 20 0 GAADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)C1(N)CC[NH2+]CC1)CC2 ZINC001159609178 1073955234 /nfs/dbraw/zinc/95/52/34/1073955234.db2.gz GSOPOOBIXQVOPQ-UHFFFAOYSA-N 2 0 380.537 -1.236 20 0 GAADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@@H]([NH3+])Cc1cnc[nH]1)CC2 ZINC001159610349 1073955227 /nfs/dbraw/zinc/95/52/27/1073955227.db2.gz QNUCJBWVXBDXDL-INIZCTEOSA-N 2 0 391.520 -1.024 20 0 GAADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@H]([NH3+])Cc1cnc[nH]1)CC2 ZINC001159610351 1073955065 /nfs/dbraw/zinc/95/50/65/1073955065.db2.gz QNUCJBWVXBDXDL-MRXNPFEDSA-N 2 0 391.520 -1.024 20 0 GAADRP CC(=O)OC[C@H]([NH3+])C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001159610382 1073955311 /nfs/dbraw/zinc/95/53/11/1073955311.db2.gz QVELSYMGDIYSPK-HNNXBMFYSA-N 2 0 383.493 -1.426 20 0 GAADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)CN1CC[NH2+]CC1)CC2 ZINC001159610545 1073955168 /nfs/dbraw/zinc/95/51/68/1073955168.db2.gz PSFUPKDLPHYJME-UHFFFAOYSA-N 2 0 380.537 -1.412 20 0 GAADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)CC2 ZINC001159610803 1073955285 /nfs/dbraw/zinc/95/52/85/1073955285.db2.gz UBLXIIULSXKXJD-INIZCTEOSA-N 3 0 392.548 -1.508 20 0 GAADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)CC2 ZINC001159610804 1073955272 /nfs/dbraw/zinc/95/52/72/1073955272.db2.gz UBLXIIULSXKXJD-MRXNPFEDSA-N 3 0 392.548 -1.508 20 0 GAADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@@]13CC[C@@H](N1)[C@H]([NH3+])C3)CC2 ZINC001159610833 1073955251 /nfs/dbraw/zinc/95/52/51/1073955251.db2.gz UYCOCEDBYSLZKO-MDZRGWNJSA-N 2 0 392.548 -1.095 20 0 GAADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@@]1(N)CCC[NH2+]C1)CC2 ZINC001159611343 1073955187 /nfs/dbraw/zinc/95/51/87/1073955187.db2.gz ZILJUNSCSNPZIB-GOSISDBHSA-N 2 0 380.537 -1.236 20 0 GAADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@]1(N)CCC[NH2+]C1)CC2 ZINC001159611344 1073955300 /nfs/dbraw/zinc/95/53/00/1073955300.db2.gz ZILJUNSCSNPZIB-SFHVURJKSA-N 2 0 380.537 -1.236 20 0 GAADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)CC[C@@H]2C1 ZINC001159634768 1073955918 /nfs/dbraw/zinc/95/59/18/1073955918.db2.gz CZFQATHEUJDFJE-BPQIPLTHSA-N 3 0 383.537 -1.068 20 0 GAADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)CC[C@@H]2C1 ZINC001159634769 1073955900 /nfs/dbraw/zinc/95/59/00/1073955900.db2.gz CZFQATHEUJDFJE-KBAYOESNSA-N 3 0 383.537 -1.068 20 0 GAADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CC[C@@H]2C1 ZINC001159636065 1073955810 /nfs/dbraw/zinc/95/58/10/1073955810.db2.gz RCTXAYJRVCVGAE-LJISPDSOSA-N 2 0 399.492 -2.111 20 0 GAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159668160 1073956913 /nfs/dbraw/zinc/95/69/13/1073956913.db2.gz WUEWXXVKVCRMHU-HJWJTTGWSA-N 2 0 391.472 -1.292 20 0 GAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159668161 1073956889 /nfs/dbraw/zinc/95/68/89/1073956889.db2.gz WUEWXXVKVCRMHU-LLLHUVSDSA-N 2 0 391.472 -1.292 20 0 GAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159668162 1073956978 /nfs/dbraw/zinc/95/69/78/1073956978.db2.gz WUEWXXVKVCRMHU-ORQFMDKSSA-N 2 0 391.472 -1.292 20 0 GAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159668163 1073957012 /nfs/dbraw/zinc/95/70/12/1073957012.db2.gz WUEWXXVKVCRMHU-SVGFKBNWSA-N 2 0 391.472 -1.292 20 0 GAADRP O=C(COC[C@]12COC[C@H]1CN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)C2)N1CCCC1 ZINC001159738138 1073957631 /nfs/dbraw/zinc/95/76/31/1073957631.db2.gz QNWCSXJUTPKABZ-GUXCAODWSA-N 2 0 392.500 -1.091 20 0 GAADRP O=C(COC[C@]12COC[C@H]1CN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)C2)N1CCCC1 ZINC001159738139 1073957597 /nfs/dbraw/zinc/95/75/97/1073957597.db2.gz QNWCSXJUTPKABZ-QINHECLXSA-N 2 0 392.500 -1.091 20 0 GAADRP O=C(C[C@@H]1COC[C@H]2CN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)C[C@H]21)N1CCOCC1 ZINC001159768797 1073958130 /nfs/dbraw/zinc/95/81/30/1073958130.db2.gz ZHXDUEFMGXFPPJ-NCOADZHNSA-N 2 0 392.500 -1.235 20 0 GAADRP O=C(C[C@@H]1COC[C@H]2CN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)C[C@H]21)N1CCOCC1 ZINC001159768801 1073957937 /nfs/dbraw/zinc/95/79/37/1073957937.db2.gz ZHXDUEFMGXFPPJ-WCXIOVBPSA-N 2 0 392.500 -1.235 20 0 GAADRP COCCN1CCO[C@H]2CN(C(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)CC[C@H]2C1=O ZINC001159918177 1073959311 /nfs/dbraw/zinc/95/93/11/1073959311.db2.gz SDWLIDIEFMFHNP-IKGGRYGDSA-N 2 0 397.520 -1.541 20 0 GAADRP COCCN1CCO[C@H]2CN(C(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)CC[C@H]2C1=O ZINC001159918178 1073959193 /nfs/dbraw/zinc/95/91/93/1073959193.db2.gz SDWLIDIEFMFHNP-ZACQAIPSSA-N 2 0 397.520 -1.541 20 0 GAADRP COCCN1CCO[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)CC[C@H]2C1=O ZINC001159919010 1073959352 /nfs/dbraw/zinc/95/93/52/1073959352.db2.gz YNMSBKRURGBKRT-OAFZBRQQSA-N 2 0 380.489 -1.092 20 0 GAADRP CN(C)S(=O)(=O)N1CC[C@@H]2CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C[C@H]2C1 ZINC001160007059 1073960541 /nfs/dbraw/zinc/96/05/41/1073960541.db2.gz CFPFDPFZMDOHCL-AGIUHOORSA-N 2 0 379.552 -1.408 20 0 GAADRP CN(C)S(=O)(=O)N1CC[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)C[C@H]2C1 ZINC001160007287 1073960602 /nfs/dbraw/zinc/96/06/02/1073960602.db2.gz IGBOYTYMRMPJMN-JYYAWHABSA-N 2 0 385.534 -1.228 20 0 GAADRP Cn1cccc1C(=O)N[C@@H]1CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])[C@@H]2COC[C@H]12 ZINC001160084977 1073960939 /nfs/dbraw/zinc/96/09/39/1073960939.db2.gz HHNBAWDJRHPWDK-QVHKTLOISA-N 2 0 381.502 -1.000 20 0 GAADRP Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CN(C(=O)C[NH2+]CCC[NH3+])CC[C@@H]32)cn1 ZINC001160085944 1073961080 /nfs/dbraw/zinc/96/10/80/1073961080.db2.gz OSPVTOOEHNPMJY-HRCADAONSA-N 2 0 378.477 -1.048 20 0 GAADRP Cn1ccnc1C(=O)N[C@H]1CN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)[C@@H]2CCCO[C@@H]21 ZINC001160212781 1073966517 /nfs/dbraw/zinc/96/65/17/1073966517.db2.gz QKXBESPDWVUWID-BYNSBNAKSA-N 2 0 388.472 -1.283 20 0 GAADRP Cn1ccnc1C(=O)N[C@H]1CN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)[C@@H]2CCCO[C@@H]21 ZINC001160212782 1073966342 /nfs/dbraw/zinc/96/63/42/1073966342.db2.gz QKXBESPDWVUWID-LXTVHRRPSA-N 2 0 388.472 -1.283 20 0 GAADRP Cn1ccnc1C(=O)N[C@H]1CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])[C@@H]2CCCO[C@@H]21 ZINC001160213749 1073966986 /nfs/dbraw/zinc/96/69/86/1073966986.db2.gz ZBGHLDDMLMFSKT-IGQOVBAYSA-N 2 0 396.517 -1.073 20 0 GAADRP Cn1cc(N2C[C@@H]3CN(C(=O)[C@@H]([NH3+])CN4CCC([NH3+])CC4)C[C@@H]3C2=O)cn1 ZINC001160217707 1073966877 /nfs/dbraw/zinc/96/68/77/1073966877.db2.gz MPDUORBCKFHHIA-RCBQFDQVSA-N 2 0 375.477 -1.408 20 0 GAADRP Cn1cc(N2C[C@@H]3CN(C(=O)[C@H]([NH3+])CN4CCC([NH3+])CC4)C[C@@H]3C2=O)cn1 ZINC001160217711 1073966951 /nfs/dbraw/zinc/96/69/51/1073966951.db2.gz MPDUORBCKFHHIA-VBNZEHGJSA-N 2 0 375.477 -1.408 20 0 GAADRP CN(C)C(=O)Cn1c(=O)ccc2c1CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC2 ZINC001160266415 1073967658 /nfs/dbraw/zinc/96/76/58/1073967658.db2.gz KJAFWYARPAWICC-AWEZNQCLSA-N 2 0 395.529 -1.117 20 0 GAADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCO[C@]2(C1)COCCN(c1ncccn1)C2 ZINC001160343368 1073968184 /nfs/dbraw/zinc/96/81/84/1073968184.db2.gz IFMAMKDSBWVQDB-BEFAXECRSA-N 2 0 388.472 -1.280 20 0 GAADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCO[C@@]2(C1)COCCN(c1ncccn1)C2 ZINC001160343369 1073968139 /nfs/dbraw/zinc/96/81/39/1073968139.db2.gz IFMAMKDSBWVQDB-DNVCBOLYSA-N 2 0 388.472 -1.280 20 0 GAADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCO[C@@]2(C1)COCCN(c1ncccn1)C2 ZINC001160343370 1073968000 /nfs/dbraw/zinc/96/80/00/1073968000.db2.gz IFMAMKDSBWVQDB-HNAYVOBHSA-N 2 0 388.472 -1.280 20 0 GAADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCO[C@]2(C1)COCCN(c1ncccn1)C2 ZINC001160343371 1073968045 /nfs/dbraw/zinc/96/80/45/1073968045.db2.gz IFMAMKDSBWVQDB-KXBFYZLASA-N 2 0 388.472 -1.280 20 0 GAADRP [NH3+]CCC[NH2+]CC(=O)N1Cc2nccn2C[C@H](CNC(=O)c2ccnnc2)C1 ZINC001160343778 1073968619 /nfs/dbraw/zinc/96/86/19/1073968619.db2.gz MYKXBOHBYURJLO-AWEZNQCLSA-N 2 0 386.460 -1.000 20 0 GAADRP [NH3+]CCC[NH2+]CC(=O)N1Cc2nccn2C[C@@H](CNC(=O)c2ccnnc2)C1 ZINC001160343779 1073968706 /nfs/dbraw/zinc/96/87/06/1073968706.db2.gz MYKXBOHBYURJLO-CQSZACIVSA-N 2 0 386.460 -1.000 20 0 GAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCO[C@@]2(C1)COCCN(c1ncccn1)C2 ZINC001160353259 1073969260 /nfs/dbraw/zinc/96/92/60/1073969260.db2.gz NTTKJHHTXWRJMC-WMLDXEAASA-N 2 0 396.517 -1.070 20 0 GAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCO[C@]2(C1)COCCN(c1ncccn1)C2 ZINC001160353261 1073969389 /nfs/dbraw/zinc/96/93/89/1073969389.db2.gz NTTKJHHTXWRJMC-YOEHRIQHSA-N 2 0 396.517 -1.070 20 0 GAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001160371150 1073969374 /nfs/dbraw/zinc/96/93/74/1073969374.db2.gz GMLCLJFDXGZSOA-KBPBESRZSA-N 2 0 396.492 -1.482 20 0 GAADRP CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)C2 ZINC001160380299 1073969819 /nfs/dbraw/zinc/96/98/19/1073969819.db2.gz CRXMWDKMCRHBAG-INIZCTEOSA-N 2 0 379.465 -1.448 20 0 GAADRP CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@H]([NH3+])C1CC[NH2+]CC1)C2 ZINC001160380302 1073969876 /nfs/dbraw/zinc/96/98/76/1073969876.db2.gz CRXMWDKMCRHBAG-MRXNPFEDSA-N 2 0 379.465 -1.448 20 0 GAADRP CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)C2 ZINC001160381512 1073969801 /nfs/dbraw/zinc/96/98/01/1073969801.db2.gz WGSRWRNXKITGCG-GFCCVEGCSA-N 2 0 377.449 -1.966 20 0 GAADRP CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)C2 ZINC001160381513 1073970566 /nfs/dbraw/zinc/97/05/66/1073970566.db2.gz WGSRWRNXKITGCG-LBPRGKRZSA-N 2 0 377.449 -1.966 20 0 GAADRP CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C2 ZINC001160381632 1073970361 /nfs/dbraw/zinc/97/03/61/1073970361.db2.gz WZGCLLVQUABPAP-NSHDSACASA-N 2 0 385.494 -1.756 20 0 GAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCn2c(COCC(=O)N(C)C)nnc2C1 ZINC001160381720 1073970410 /nfs/dbraw/zinc/97/04/10/1073970410.db2.gz YTXBWTIZHITKRM-ZDUSSCGKSA-N 2 0 381.481 -1.058 20 0 GAADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001160388579 1073970542 /nfs/dbraw/zinc/97/05/42/1073970542.db2.gz LHLPWNFXLAEQNF-HNNXBMFYSA-N 2 0 379.505 -1.138 20 0 GAADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)[C@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001160388580 1073970481 /nfs/dbraw/zinc/97/04/81/1073970481.db2.gz LHLPWNFXLAEQNF-OAHLLOKOSA-N 2 0 379.505 -1.138 20 0 GAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001160391471 1073970425 /nfs/dbraw/zinc/97/04/25/1073970425.db2.gz MUQOHKFCAOWUAR-KBPBESRZSA-N 2 0 383.493 -1.644 20 0 GAADRP Cn1cc(C(=O)N[C@H]2CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])[C@@H]3CCCO[C@@H]32)cn1 ZINC001160399112 1073970393 /nfs/dbraw/zinc/97/03/93/1073970393.db2.gz PLBCAPGPPUEUAR-BYNSBNAKSA-N 2 0 396.517 -1.073 20 0 GAADRP Cn1cc(C(=O)N[C@H]2CN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)[C@@H]3CCCO[C@@H]32)cn1 ZINC001160401715 1073971049 /nfs/dbraw/zinc/97/10/49/1073971049.db2.gz YZAGKLMBUWMPNL-CAOSSQGBSA-N 2 0 388.472 -1.283 20 0 GAADRP Cn1cc(C(=O)N[C@H]2CN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)[C@@H]3CCCO[C@@H]32)cn1 ZINC001160401716 1073971247 /nfs/dbraw/zinc/97/12/47/1073971247.db2.gz YZAGKLMBUWMPNL-QKPAOTATSA-N 2 0 388.472 -1.283 20 0 GAADRP Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC2 ZINC001160405654 1073971059 /nfs/dbraw/zinc/97/10/59/1073971059.db2.gz XYCGHDUFGIITGR-AWEZNQCLSA-N 2 0 388.476 -1.003 20 0 GAADRP Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@H]([NH3+])CCC[NH3+])CC2 ZINC001160405664 1073971136 /nfs/dbraw/zinc/97/11/36/1073971136.db2.gz XYCGHDUFGIITGR-CQSZACIVSA-N 2 0 388.476 -1.003 20 0 GAADRP CC(C)C(=O)N1CCO[C@]2(C1)COCCN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)C2 ZINC001160418840 1073971752 /nfs/dbraw/zinc/97/17/52/1073971752.db2.gz MXMBJQVZOOPJRR-BEFAXECRSA-N 2 0 380.489 -1.092 20 0 GAADRP CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)C2 ZINC001160418841 1073971876 /nfs/dbraw/zinc/97/18/76/1073971876.db2.gz MXMBJQVZOOPJRR-DNVCBOLYSA-N 2 0 380.489 -1.092 20 0 GAADRP CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)C2 ZINC001160418842 1073971787 /nfs/dbraw/zinc/97/17/87/1073971787.db2.gz MXMBJQVZOOPJRR-HNAYVOBHSA-N 2 0 380.489 -1.092 20 0 GAADRP CC(C)C(=O)N1CCO[C@]2(C1)COCCN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)C2 ZINC001160418843 1073971897 /nfs/dbraw/zinc/97/18/97/1073971897.db2.gz MXMBJQVZOOPJRR-KXBFYZLASA-N 2 0 380.489 -1.092 20 0 GAADRP COc1cc(OC)nc(CN2CCN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)CC2)n1 ZINC001160429713 1073972446 /nfs/dbraw/zinc/97/24/46/1073972446.db2.gz XUGUMMGWELXXBN-CYBMUJFWSA-N 2 0 376.461 -1.053 20 0 GAADRP COc1cc(OC)nc(CN2CCN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)CC2)n1 ZINC001160429716 1073972504 /nfs/dbraw/zinc/97/25/04/1073972504.db2.gz XUGUMMGWELXXBN-ZDUSSCGKSA-N 2 0 376.461 -1.053 20 0 GAADRP CS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001160431948 1073972522 /nfs/dbraw/zinc/97/25/22/1073972522.db2.gz JFMLZGIUCXVXTK-KBPBESRZSA-N 2 0 389.522 -1.463 20 0 GAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC001160460954 1073973227 /nfs/dbraw/zinc/97/32/27/1073973227.db2.gz HSBTYGKGSPQQQX-AWEZNQCLSA-N 2 0 396.492 -2.229 20 0 GAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001160460956 1073973250 /nfs/dbraw/zinc/97/32/50/1073973250.db2.gz HSBTYGKGSPQQQX-CQSZACIVSA-N 2 0 396.492 -2.229 20 0 GAADRP CC[NH+](CC)C1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC1 ZINC001160483089 1073973130 /nfs/dbraw/zinc/97/31/30/1073973130.db2.gz NRSSLDDXWPAGKI-UHFFFAOYSA-N 2 0 384.481 -2.374 20 0 GAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC001160491147 1073973833 /nfs/dbraw/zinc/97/38/33/1073973833.db2.gz UZZZYEJQDUNIQF-HOCLYGCPSA-N 2 0 395.504 -1.236 20 0 GAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC001160491232 1073973769 /nfs/dbraw/zinc/97/37/69/1073973769.db2.gz YTJRXMICQFDPHE-UHFFFAOYSA-N 2 0 398.464 -3.383 20 0 GAADRP COC(=O)CN1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001160531188 1073974492 /nfs/dbraw/zinc/97/44/92/1073974492.db2.gz JTSVPJYRVMHKFG-GJZGRUSLSA-N 2 0 383.493 -1.249 20 0 GAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)n1ccc([C@@H]2CCC[NH2+]2)nc1=N ZINC001160541302 1073974241 /nfs/dbraw/zinc/97/42/41/1073974241.db2.gz AERVWBALVWNYEB-OBJOEFQTSA-N 2 0 389.460 -1.118 20 0 GAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)n1ccc([C@H]2CCC[NH2+]2)nc1=N ZINC001160541304 1073974976 /nfs/dbraw/zinc/97/49/76/1073974976.db2.gz AERVWBALVWNYEB-SCRDCRAPSA-N 2 0 389.460 -1.118 20 0 GAADRP CS(=O)(=O)CCCN1CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001160584298 1073974923 /nfs/dbraw/zinc/97/49/23/1073974923.db2.gz CASUTPGHAPLQAZ-HNNXBMFYSA-N 2 0 375.539 -1.684 20 0 GAADRP CS(=O)(=O)CCCN1CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001160584299 1073974997 /nfs/dbraw/zinc/97/49/97/1073974997.db2.gz CASUTPGHAPLQAZ-OAHLLOKOSA-N 2 0 375.539 -1.684 20 0 GAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001160589563 1073975485 /nfs/dbraw/zinc/97/54/85/1073975485.db2.gz YRUYETKGFXVJKS-AAEUAGOBSA-N 2 0 375.429 -1.333 20 0 GAADRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCC[NH3+])C(=O)NCC(N)=O ZINC001160628372 1073976173 /nfs/dbraw/zinc/97/61/73/1073976173.db2.gz HRTRFSSWXCMPGO-IHRRRGAJSA-N 2 0 398.508 -1.824 20 0 GAADRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]([NH3+])CCC[NH3+])C(=O)NCC(N)=O ZINC001160628388 1073976197 /nfs/dbraw/zinc/97/61/97/1073976197.db2.gz HRTRFSSWXCMPGO-RDBSUJKOSA-N 2 0 398.508 -1.824 20 0 GAADRP CN1CCN(C2CN(C(=O)[C@@H]3CCCN3C(=O)[C@@H]([NH3+])CCCC[NH3+])C2)CC1=O ZINC001160635894 1073976812 /nfs/dbraw/zinc/97/68/12/1073976812.db2.gz MXIFMRPGQNULRH-HOTGVXAUSA-N 2 0 394.520 -1.582 20 0 GAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC(N2CCNC(=O)C2)C1 ZINC001160635899 1073976707 /nfs/dbraw/zinc/97/67/07/1073976707.db2.gz FOQDRXQPMYYBGT-GJZGRUSLSA-N 2 0 380.493 -1.924 20 0 GAADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001160644243 1073977248 /nfs/dbraw/zinc/97/72/48/1073977248.db2.gz AIIONVSYXCNMIH-KKUMJFAQSA-N 2 0 383.493 -1.428 20 0 GAADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160654759 1073977170 /nfs/dbraw/zinc/97/71/70/1073977170.db2.gz BCRFVYCWDSHVOC-CBBWQLFWSA-N 2 0 383.493 -1.694 20 0 GAADRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160654906 1073977331 /nfs/dbraw/zinc/97/73/31/1073977331.db2.gz FTJUQWREZHEDBI-XFIYOXNOSA-N 2 0 397.520 -1.224 20 0 GAADRP CS(=O)(=O)NC1CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001160661235 1073977928 /nfs/dbraw/zinc/97/79/28/1073977928.db2.gz OFZAMXYRBAIWEX-STQMWFEESA-N 2 0 375.495 -1.806 20 0 GAADRP C[N@H+]1C[C@H]2CN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc3ccc(O)cc3)C[C@H]2C1 ZINC001160705672 1073978782 /nfs/dbraw/zinc/97/87/82/1073978782.db2.gz ZLOVJULICHJEPG-FSDCSDTHSA-N 2 0 376.457 -1.241 20 0 GAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC2(CC1)CNC(=O)CO2 ZINC001160772445 1073979362 /nfs/dbraw/zinc/97/93/62/1073979362.db2.gz RTDWODPPCKZOGI-GJZGRUSLSA-N 2 0 395.504 -1.059 20 0 GAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCN2C(=O)COC[C@H]2C1 ZINC001160791202 1073980590 /nfs/dbraw/zinc/98/05/90/1073980590.db2.gz YWNOHUSSUXECPQ-ILXRZTDVSA-N 2 0 381.477 -1.497 20 0 GAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCN2C(=O)COC[C@@H]2C1 ZINC001160791203 1073980721 /nfs/dbraw/zinc/98/07/21/1073980721.db2.gz YWNOHUSSUXECPQ-KKUMJFAQSA-N 2 0 381.477 -1.497 20 0 GAADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3CNC(=O)C34CC[NH2+]CC4)C[C@H]1C2 ZINC001160791945 1073980700 /nfs/dbraw/zinc/98/07/00/1073980700.db2.gz JCBABTDLVQFYKK-QLLGARHOSA-N 2 0 390.484 -1.041 20 0 GAADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H]3CNC(=O)C34CC[NH2+]CC4)C[C@H]1C2 ZINC001160791946 1073980580 /nfs/dbraw/zinc/98/05/80/1073980580.db2.gz JCBABTDLVQFYKK-UPYQZRRNSA-N 2 0 390.484 -1.041 20 0 GAADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3CCS(=O)(=O)C34C[NH2+]C4)C[C@H]1C2 ZINC001160791977 1073980795 /nfs/dbraw/zinc/98/07/95/1073980795.db2.gz KBVUHRAFNDLREV-KAHPBISDSA-N 2 0 397.497 -1.380 20 0 GAADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H]3CCS(=O)(=O)C34C[NH2+]C4)C[C@H]1C2 ZINC001160791978 1073980675 /nfs/dbraw/zinc/98/06/75/1073980675.db2.gz KBVUHRAFNDLREV-RFJMFJJWSA-N 2 0 397.497 -1.380 20 0 GAADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C[C@H]1C2 ZINC001160795251 1073980692 /nfs/dbraw/zinc/98/06/92/1073980692.db2.gz VSZCCKUVRVCDNO-IATRGZMQSA-N 2 0 388.490 -1.936 20 0 GAADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]([NH3+])CSCNC(C)=O)C[C@H]1C2 ZINC001160795786 1073980655 /nfs/dbraw/zinc/98/06/55/1073980655.db2.gz ZHHWXRIPKVZCCQ-RBUCKAEESA-N 2 0 384.502 -1.002 20 0 GAADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)C[C@H]1C2 ZINC001160797283 1073980639 /nfs/dbraw/zinc/98/06/39/1073980639.db2.gz NGMFFHZPXMQQOU-NHMNCCLUSA-N 3 0 379.505 -1.406 20 0 GAADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)C[C@H]1C2 ZINC001160797284 1073981137 /nfs/dbraw/zinc/98/11/37/1073981137.db2.gz NGMFFHZPXMQQOU-NWBKRVSMSA-N 3 0 379.505 -1.406 20 0 GAADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C[C@H]1C2 ZINC001160797927 1073981279 /nfs/dbraw/zinc/98/12/79/1073981279.db2.gz XIDMUOYYXDCMLW-ROFINAPYSA-N 2 0 395.460 -2.449 20 0 GAADRP CCOC(=O)[C@]12CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C[C@H]1C[NH2+]CC2 ZINC001160810797 1073981241 /nfs/dbraw/zinc/98/12/41/1073981241.db2.gz GELGZNRFCAWKEZ-IUODEOHRSA-N 2 0 376.479 -1.792 20 0 GAADRP CCOC(=O)[C@]12CN(C(=O)[C@@H]3CCS(=O)(=O)C34C[NH2+]C4)C[C@H]1C[NH2+]CC2 ZINC001160811660 1073981170 /nfs/dbraw/zinc/98/11/70/1073981170.db2.gz RVAWGCKZYXUHTO-DVOMOZLQSA-N 2 0 385.486 -1.236 20 0 GAADRP CCOC(=O)[C@]12CN(C(=O)[C@H]3CCS(=O)(=O)C34C[NH2+]C4)C[C@H]1C[NH2+]CC2 ZINC001160811661 1073981308 /nfs/dbraw/zinc/98/13/08/1073981308.db2.gz RVAWGCKZYXUHTO-XJKCOSOUSA-N 2 0 385.486 -1.236 20 0 GAADRP CCOC(=O)[C@]12CN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)C[C@H]1C[NH2+]CC2 ZINC001160813947 1073981355 /nfs/dbraw/zinc/98/13/55/1073981355.db2.gz MXKLFYFFVLTXMW-NVAPZFDKSA-N 2 0 397.476 -1.915 20 0 GAADRP CCOC(=O)[C@]12CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C[C@H]1C[NH2+]CC2 ZINC001160814320 1073981960 /nfs/dbraw/zinc/98/19/60/1073981960.db2.gz YZVJMJIVQQEWAE-HBGPKNEHSA-N 2 0 383.449 -2.305 20 0 GAADRP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC001160839142 1073981977 /nfs/dbraw/zinc/98/19/77/1073981977.db2.gz NJWZBBKHPVKMHN-PVAVHDDUSA-N 2 0 394.472 -1.472 20 0 GAADRP C[NH+](C)C[C@H]1COCCN1C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC001160839143 1073981946 /nfs/dbraw/zinc/98/19/46/1073981946.db2.gz NJWZBBKHPVKMHN-XIRDDKMYSA-N 2 0 394.472 -1.472 20 0 GAADRP COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])CCN1C ZINC001160871425 1073982579 /nfs/dbraw/zinc/98/25/79/1073982579.db2.gz VAPQVBZBZCAUMB-KKUMJFAQSA-N 2 0 383.493 -1.251 20 0 GAADRP COC(=O)[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])CCN1C ZINC001160871426 1073982615 /nfs/dbraw/zinc/98/26/15/1073982615.db2.gz VAPQVBZBZCAUMB-SOUVJXGZSA-N 2 0 383.493 -1.251 20 0 GAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915756 1073983286 /nfs/dbraw/zinc/98/32/86/1073983286.db2.gz LLTQSDMDHKVJNC-AAEUAGOBSA-N 2 0 375.433 -1.764 20 0 GAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001160916380 1073983046 /nfs/dbraw/zinc/98/30/46/1073983046.db2.gz YGRCDYYKEXKRFQ-UHFFFAOYSA-N 2 0 378.393 -3.911 20 0 GAADRP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160971394 1073983220 /nfs/dbraw/zinc/98/32/20/1073983220.db2.gz GRUSQKBDHVOUGN-UBHSHLNASA-N 2 0 386.399 -1.066 20 0 GAADRP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160971397 1073983185 /nfs/dbraw/zinc/98/31/85/1073983185.db2.gz GRUSQKBDHVOUGN-XBFCOCLRSA-N 2 0 386.399 -1.066 20 0 GAADRP C[NH+]1CCC2(CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC2)CC1 ZINC001160993238 1073983941 /nfs/dbraw/zinc/98/39/41/1073983941.db2.gz NBHGGWWWFVPPRI-UHFFFAOYSA-N 2 0 396.492 -2.372 20 0 GAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161008801 1073983924 /nfs/dbraw/zinc/98/39/24/1073983924.db2.gz RNSLDDUFADFHIW-IHRRRGAJSA-N 2 0 381.477 -1.844 20 0 GAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161008807 1073984091 /nfs/dbraw/zinc/98/40/91/1073984091.db2.gz RNSLDDUFADFHIW-MELADBBJSA-N 2 0 381.477 -1.844 20 0 GAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161068954 1073984723 /nfs/dbraw/zinc/98/47/23/1073984723.db2.gz YWFXUMMLVNNJMP-CABCVRRESA-N 2 0 396.517 -1.289 20 0 GAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161068955 1073984788 /nfs/dbraw/zinc/98/47/88/1073984788.db2.gz YWFXUMMLVNNJMP-GJZGRUSLSA-N 2 0 396.517 -1.289 20 0 GAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161068956 1073984576 /nfs/dbraw/zinc/98/45/76/1073984576.db2.gz YWFXUMMLVNNJMP-HUUCEWRRSA-N 2 0 396.517 -1.289 20 0 GAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161068957 1073984500 /nfs/dbraw/zinc/98/45/00/1073984500.db2.gz YWFXUMMLVNNJMP-LSDHHAIUSA-N 2 0 396.517 -1.289 20 0 GAADRP CS(=O)(=O)c1nc2c(c(NCCN(CC[NH3+])N(O)N=O)n1)CC[NH2+]CC2 ZINC001161088199 1073984712 /nfs/dbraw/zinc/98/47/12/1073984712.db2.gz VMXOVNMMAGIRNP-UHFFFAOYSA-N 2 0 388.454 -1.472 20 0 GAADRP C[C@]([NH3+])(CO)C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161118231 1073985250 /nfs/dbraw/zinc/98/52/50/1073985250.db2.gz CISGDWXMPWWLFT-XEZPLFJOSA-N 2 0 389.447 -1.562 20 0 GAADRP [NH3+]C[C@@H](O)CC(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161119250 1073985277 /nfs/dbraw/zinc/98/52/77/1073985277.db2.gz OBXYTDRTALIGME-IHRRRGAJSA-N 2 0 389.447 -1.562 20 0 GAADRP [NH3+]C[C@H](O)CC(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161119251 1073985195 /nfs/dbraw/zinc/98/51/95/1073985195.db2.gz OBXYTDRTALIGME-MJBXVCDLSA-N 2 0 389.447 -1.562 20 0 GAADRP CO[C@@H](C[NH3+])C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161122970 1073985214 /nfs/dbraw/zinc/98/52/14/1073985214.db2.gz NAJKTYVDMWILFL-IHRRRGAJSA-N 2 0 389.447 -1.298 20 0 GAADRP [NH3+]C[C@H](O)C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161123566 1073985333 /nfs/dbraw/zinc/98/53/33/1073985333.db2.gz PWKSBAKQZUBFEA-AVGNSLFASA-N 2 0 375.420 -1.952 20 0 GAADRP C[NH2+][C@@H](CO)C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161123741 1073985338 /nfs/dbraw/zinc/98/53/38/1073985338.db2.gz SGQQUAUYDXJXBD-IHRRRGAJSA-N 2 0 389.447 -1.691 20 0 GAADRP [NH3+][C@H](CO)CC(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161123776 1073985172 /nfs/dbraw/zinc/98/51/72/1073985172.db2.gz SJHABMPHPDFREJ-IHRRRGAJSA-N 2 0 389.447 -1.562 20 0 GAADRP [NH3+]CCNCC(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161124472 1073985349 /nfs/dbraw/zinc/98/53/49/1073985349.db2.gz WQBXJWDOPUQMNT-KBPBESRZSA-N 2 0 388.463 -1.723 20 0 GAADRP N[C@@H](CC[NH3+])C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161124515 1073985204 /nfs/dbraw/zinc/98/52/04/1073985204.db2.gz XQHYHEOEVASSRY-IHRRRGAJSA-N 2 0 388.463 -1.595 20 0 GAADRP CCOC(=O)CN(CCC[NH3+])C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001161158518 1073985727 /nfs/dbraw/zinc/98/57/27/1073985727.db2.gz WEMHQOLGLZCFON-UHFFFAOYSA-N 2 0 388.425 -3.966 20 0 GAADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001161159152 1073985700 /nfs/dbraw/zinc/98/57/00/1073985700.db2.gz WMZSLDNSGMUPKA-STQMWFEESA-N 2 0 385.465 -1.819 20 0 GAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[NH+](CCC(C)(C)O)CC1 ZINC001161175693 1073985941 /nfs/dbraw/zinc/98/59/41/1073985941.db2.gz NUKLECVZFJHBPM-GJZGRUSLSA-N 2 0 397.520 -1.254 20 0 GAADRP CCC[N@H+]1C[C@H]2CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C[C@H]2C1 ZINC001161176268 1073985774 /nfs/dbraw/zinc/98/57/74/1073985774.db2.gz RQLCYHPZLINZHY-BETUJISGSA-N 2 0 382.465 -2.906 20 0 GAADRP CCC[NH+]1C[C@@H]2CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C[C@H]2C1 ZINC001161176269 1073985988 /nfs/dbraw/zinc/98/59/88/1073985988.db2.gz RQLCYHPZLINZHY-CHWSQXEVSA-N 2 0 382.465 -2.906 20 0 GAADRP CCC[NH+]1C[C@H]2CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C[C@@H]2C1 ZINC001161176270 1073985923 /nfs/dbraw/zinc/98/59/23/1073985923.db2.gz RQLCYHPZLINZHY-STQMWFEESA-N 2 0 382.465 -2.906 20 0 GAADRP O=C([C@H]1COC2(C[NH2+]C2)CN1)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196396 1073986417 /nfs/dbraw/zinc/98/64/17/1073986417.db2.gz GCUXANLAQXYLKB-GOSISDBHSA-N 2 0 395.548 -1.133 20 0 GAADRP O=C([C@@H]1COC2(C[NH2+]C2)CN1)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196397 1073986468 /nfs/dbraw/zinc/98/64/68/1073986468.db2.gz GCUXANLAQXYLKB-SFHVURJKSA-N 2 0 395.548 -1.133 20 0 GAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198800 1073986496 /nfs/dbraw/zinc/98/64/96/1073986496.db2.gz YQFCIGXUKBQAFB-RDJZCZTQSA-N 2 0 399.536 -1.639 20 0 GAADRP COC(=O)[C@@H]1CN(C)CCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001161236953 1073986371 /nfs/dbraw/zinc/98/63/71/1073986371.db2.gz IDXHPXYJMSCDJZ-KKUMJFAQSA-N 2 0 383.493 -1.251 20 0 GAADRP COC(=O)[C@H]1CN(C)CCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001161236955 1073986395 /nfs/dbraw/zinc/98/63/95/1073986395.db2.gz IDXHPXYJMSCDJZ-SOUVJXGZSA-N 2 0 383.493 -1.251 20 0 GAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCN(c2ncncn2)CC1 ZINC001161248140 1073987076 /nfs/dbraw/zinc/98/70/76/1073987076.db2.gz RWGKHHMMZKZSCA-GJZGRUSLSA-N 2 0 390.492 -1.033 20 0 GAADRP CC(C)(C)CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C1CC[NH2+]CC1 ZINC001161258289 1073987040 /nfs/dbraw/zinc/98/70/40/1073987040.db2.gz JPZCKPKGTSCEGC-UHFFFAOYSA-N 2 0 398.508 -2.080 20 0 GAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCC(NC(=O)N2CCOCC2)CC1 ZINC001161269479 1073987098 /nfs/dbraw/zinc/98/70/98/1073987098.db2.gz FJMJXIDUDFJOQS-INIZCTEOSA-N 2 0 382.509 -1.230 20 0 GAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCC(NC(=O)N2CCOCC2)CC1 ZINC001161269480 1073987054 /nfs/dbraw/zinc/98/70/54/1073987054.db2.gz FJMJXIDUDFJOQS-MRXNPFEDSA-N 2 0 382.509 -1.230 20 0 GAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001161276213 1073986935 /nfs/dbraw/zinc/98/69/35/1073986935.db2.gz RLCPMGUDLDBORE-QEJZJMRPSA-N 2 0 376.461 -1.130 20 0 GAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N(C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161321855 1073988179 /nfs/dbraw/zinc/98/81/79/1073988179.db2.gz RBOVUONTABWQDB-ABHRYQDASA-N 2 0 383.493 -1.029 20 0 GAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161377090 1073988102 /nfs/dbraw/zinc/98/81/02/1073988102.db2.gz FGFUYTPYROTQLD-BPUTZDHNSA-N 2 0 394.520 -1.535 20 0 GAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161377092 1073988740 /nfs/dbraw/zinc/98/87/40/1073988740.db2.gz FGFUYTPYROTQLD-IMJJTQAJSA-N 2 0 394.520 -1.535 20 0 GAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161378758 1073988560 /nfs/dbraw/zinc/98/85/60/1073988560.db2.gz MQWQVVUFTGGZGU-CYBMUJFWSA-N 2 0 397.480 -3.682 20 0 GAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161378763 1073988842 /nfs/dbraw/zinc/98/88/42/1073988842.db2.gz MQWQVVUFTGGZGU-ZDUSSCGKSA-N 2 0 397.480 -3.682 20 0 GAADRP COc1ccnc(N(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C2CC[NH2+]CC2)c1 ZINC001161385939 1073988586 /nfs/dbraw/zinc/98/85/86/1073988586.db2.gz MBTILQFKFRHFGT-FZMZJTMJSA-N 2 0 392.460 -1.117 20 0 GAADRP COc1cc(N(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C2CC[NH2+]CC2)ccn1 ZINC001161387101 1073988634 /nfs/dbraw/zinc/98/86/34/1073988634.db2.gz ZXMSTUYEENOIEX-FZMZJTMJSA-N 2 0 392.460 -1.117 20 0 GAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161387218 1073988760 /nfs/dbraw/zinc/98/87/60/1073988760.db2.gz BPDSDYHWUKPYGA-JYJNAYRXSA-N 2 0 395.504 -1.236 20 0 GAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161387220 1073988697 /nfs/dbraw/zinc/98/86/97/1073988697.db2.gz BPDSDYHWUKPYGA-XHSDSOJGSA-N 2 0 395.504 -1.236 20 0 GAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161388676 1073988796 /nfs/dbraw/zinc/98/87/96/1073988796.db2.gz JURPCRSXFNRUTH-CYBMUJFWSA-N 2 0 398.464 -3.383 20 0 GAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161388677 1073988609 /nfs/dbraw/zinc/98/86/09/1073988609.db2.gz JURPCRSXFNRUTH-ZDUSSCGKSA-N 2 0 398.464 -3.383 20 0 GAADRP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1C[C@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161412500 1073988656 /nfs/dbraw/zinc/98/86/56/1073988656.db2.gz KUNJKBLVDQAADN-MNLARUNXSA-N 2 0 376.457 -1.065 20 0 GAADRP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001161412503 1073988823 /nfs/dbraw/zinc/98/88/23/1073988823.db2.gz KUNJKBLVDQAADN-RKOFLFEYSA-N 2 0 376.457 -1.065 20 0 GAADRP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1C[C@@H]2[C@H]([NH3+])CC[C@@H]2C1 ZINC001161412507 1073989481 /nfs/dbraw/zinc/98/94/81/1073989481.db2.gz KUNJKBLVDQAADN-SOKJMZBUSA-N 2 0 376.457 -1.065 20 0 GAADRP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161412510 1073989458 /nfs/dbraw/zinc/98/94/58/1073989458.db2.gz KUNJKBLVDQAADN-WFKFIOEPSA-N 2 0 376.457 -1.065 20 0 GAADRP C[NH+](C)CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])[C@@H]1CCC[NH2+]C1 ZINC001161444031 1073989445 /nfs/dbraw/zinc/98/94/45/1073989445.db2.gz ACVIEHWPRURGCH-CYBMUJFWSA-N 3 0 399.496 -3.564 20 0 GAADRP C[NH+](C)CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])[C@H]1CCC[NH2+]C1 ZINC001161444032 1073989301 /nfs/dbraw/zinc/98/93/01/1073989301.db2.gz ACVIEHWPRURGCH-ZDUSSCGKSA-N 3 0 399.496 -3.564 20 0 GAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001161448899 1073989436 /nfs/dbraw/zinc/98/94/36/1073989436.db2.gz IUFBFNXWYDZVOW-JYJNAYRXSA-N 3 0 396.536 -1.417 20 0 GAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001161448903 1073989282 /nfs/dbraw/zinc/98/92/82/1073989282.db2.gz IUFBFNXWYDZVOW-XHSDSOJGSA-N 3 0 396.536 -1.417 20 0 GAADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)CC2 ZINC001161480626 1073990126 /nfs/dbraw/zinc/99/01/26/1073990126.db2.gz PTMRGUJKJKHWKC-JCGVRSQUSA-N 2 0 384.477 -1.001 20 0 GAADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)CC2 ZINC001161480627 1073990136 /nfs/dbraw/zinc/99/01/36/1073990136.db2.gz PTMRGUJKJKHWKC-LXIYXOSZSA-N 2 0 384.477 -1.001 20 0 GAADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)CC2 ZINC001161480628 1073990161 /nfs/dbraw/zinc/99/01/61/1073990161.db2.gz PTMRGUJKJKHWKC-VEVIJQCQSA-N 2 0 384.477 -1.001 20 0 GAADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)CC2 ZINC001161480629 1073990033 /nfs/dbraw/zinc/99/00/33/1073990033.db2.gz PTMRGUJKJKHWKC-ZJNRKIDTSA-N 2 0 384.477 -1.001 20 0 GAADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)CC2 ZINC001161481093 1073990066 /nfs/dbraw/zinc/99/00/66/1073990066.db2.gz RYHDAJOBCYGOIX-AEMSQSNESA-N 2 0 383.449 -2.163 20 0 GAADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)CC2 ZINC001161481096 1073990142 /nfs/dbraw/zinc/99/01/42/1073990142.db2.gz RYHDAJOBCYGOIX-HBGPKNEHSA-N 2 0 383.449 -2.163 20 0 GAADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)CC2 ZINC001161481099 1073990176 /nfs/dbraw/zinc/99/01/76/1073990176.db2.gz RYHDAJOBCYGOIX-JJHQXXDFSA-N 2 0 383.449 -2.163 20 0 GAADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)CC2 ZINC001161481101 1073990169 /nfs/dbraw/zinc/99/01/69/1073990169.db2.gz RYHDAJOBCYGOIX-SHFDMQKMSA-N 2 0 383.449 -2.163 20 0 GAADRP Nc1nc(=O)c2ncn([C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c2n1-c1ccc2c(n1)CC[NH2+]C2 ZINC001161484477 1073990018 /nfs/dbraw/zinc/99/00/18/1073990018.db2.gz JEDAARIXNGHZRX-ZKYQVNSYSA-N 2 0 398.427 -1.188 20 0 GAADRP Cc1cnc(-n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)c(C[NH3+])c1 ZINC001161485919 1073990669 /nfs/dbraw/zinc/99/06/69/1073990669.db2.gz SGBQDMJHQUGWMF-QJPTWQEYSA-N 2 0 386.416 -1.066 20 0 GAADRP CO[C@@H]1CN(C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCC[NH2+]2)C[C@@H]1[NH3+] ZINC001161493108 1073990648 /nfs/dbraw/zinc/99/06/48/1073990648.db2.gz CIRXGDWBDBQJLQ-ZQDZILKHSA-N 2 0 383.493 -1.430 20 0 GAADRP C[N@H+](C1CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C1)[C@H]1CCOC1 ZINC001161499514 1073990686 /nfs/dbraw/zinc/99/06/86/1073990686.db2.gz OSPBLQCDSNSTNR-NSHDSACASA-N 2 0 384.437 -3.775 20 0 GAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC([N@H+](C)[C@H]2CCOC2)C1 ZINC001161500997 1073990792 /nfs/dbraw/zinc/99/07/92/1073990792.db2.gz WMTKZCGLSGSMHF-YDHLFZDLSA-N 2 0 381.477 -1.628 20 0 GAADRP CC(=O)N1CC2(C1)CN(C(=O)[C@]13C[NH2+]C[C@H]1C[NH2+]CC3)C[C@@H]2C(=O)N(C)C ZINC001161506233 1073990594 /nfs/dbraw/zinc/99/05/94/1073990594.db2.gz CSRYYPXWLYHUGI-SPYBWZPUSA-N 2 0 377.489 -1.419 20 0 GAADRP CC(=O)N1CC2(C1)CN(C(=O)[C@]13C[NH2+]C[C@H]1C[NH2+]CC3)C[C@H]2C(=O)N(C)C ZINC001161506234 1073990714 /nfs/dbraw/zinc/99/07/14/1073990714.db2.gz CSRYYPXWLYHUGI-ZRGWGRIASA-N 2 0 377.489 -1.419 20 0 GAADRP CC(=O)N1CC2(C1)CN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C[C@@H]2C(=O)N(C)C ZINC001161506427 1073991486 /nfs/dbraw/zinc/99/14/86/1073991486.db2.gz HXZMFAAKANKZDZ-CVEARBPZSA-N 2 0 394.520 -1.868 20 0 GAADRP CC(=O)N1CC2(C1)CN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C[C@H]2C(=O)N(C)C ZINC001161506428 1073991338 /nfs/dbraw/zinc/99/13/38/1073991338.db2.gz HXZMFAAKANKZDZ-HOTGVXAUSA-N 2 0 394.520 -1.868 20 0 GAADRP CC(=O)N1CC2(C1)CN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C[C@@H]2C(=O)N(C)C ZINC001161506429 1073991443 /nfs/dbraw/zinc/99/14/43/1073991443.db2.gz HXZMFAAKANKZDZ-HZPDHXFCSA-N 2 0 394.520 -1.868 20 0 GAADRP CC(=O)N1CC2(C1)CN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C[C@H]2C(=O)N(C)C ZINC001161506430 1073991423 /nfs/dbraw/zinc/99/14/23/1073991423.db2.gz HXZMFAAKANKZDZ-JKSUJKDBSA-N 2 0 394.520 -1.868 20 0 GAADRP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161511402 1073991954 /nfs/dbraw/zinc/99/19/54/1073991954.db2.gz ZCRZOJFKKONJHH-KKUMJFAQSA-N 2 0 378.429 -2.075 20 0 GAADRP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161511403 1073991884 /nfs/dbraw/zinc/99/18/84/1073991884.db2.gz ZCRZOJFKKONJHH-SOUVJXGZSA-N 2 0 378.429 -2.075 20 0 GAADRP NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1cncn1-c1ncnc2c1CC[NH2+]C2 ZINC001162842199 1074002942 /nfs/dbraw/zinc/00/29/42/1074002942.db2.gz DLTNVTQSKLLILE-ZFWWWQNUSA-N 2 0 384.444 -1.346 20 0 GAADRP NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1cncn1-c1ncnc2c1CC[NH2+]CC2 ZINC001162842428 1074003121 /nfs/dbraw/zinc/00/31/21/1074003121.db2.gz KITGMFGCERHSGP-HOCLYGCPSA-N 2 0 398.471 -1.303 20 0 GAADRP NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1cncn1-c1ncc2c(n1)CC[NH2+]C2 ZINC001162842864 1074003026 /nfs/dbraw/zinc/00/30/26/1074003026.db2.gz WUCAIHSCWUNOAK-ZFWWWQNUSA-N 2 0 384.444 -1.346 20 0 GAADRP NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1cncn1-c1cc2c(nn1)CC[NH2+]C2 ZINC001162844648 1074003647 /nfs/dbraw/zinc/00/36/47/1074003647.db2.gz GGIVWMZPZAJYLO-ZFWWWQNUSA-N 2 0 384.444 -1.346 20 0 GAADRP NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1cncn1-c1cc(C2C[NH2+]C2)ncn1 ZINC001162857407 1074003578 /nfs/dbraw/zinc/00/35/78/1074003578.db2.gz QOHOJLZGWKRXCE-ZFWWWQNUSA-N 2 0 384.444 -1.305 20 0 GAADRP CS(=O)(=O)c1nc2c(c(N3CC(=O)NC4(CC[NH2+]CC4)C3)n1)CC[NH2+]CC2 ZINC001165253211 1074004528 /nfs/dbraw/zinc/00/45/28/1074004528.db2.gz YQBRMRYQIOHXJM-UHFFFAOYSA-N 2 0 394.501 -1.373 20 0 GAADRP CC[NH+]1CCC(n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)CC1 ZINC001169224693 1074924579 /nfs/dbraw/zinc/92/45/79/1074924579.db2.gz KXYBIVNOYJTVPE-QQHRNGFRSA-N 2 0 393.448 -1.590 20 0 GAADRP CC[N@@H+]1CC[C@@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)C1 ZINC001173352538 1075094173 /nfs/dbraw/zinc/09/41/73/1075094173.db2.gz PPQBBEQIBMQUEF-QCYOOCKDSA-N 2 0 379.421 -1.980 20 0 GAADRP CC[N@@H+]1CC[C@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)C1 ZINC001173352539 1075094326 /nfs/dbraw/zinc/09/43/26/1075094326.db2.gz PPQBBEQIBMQUEF-WLBJOZJFSA-N 2 0 379.421 -1.980 20 0 GAADRP CN1C[C@@H](C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)NC1=O ZINC001183072421 1075340487 /nfs/dbraw/zinc/34/04/87/1075340487.db2.gz IIUBMSISXIJJCV-AWEZNQCLSA-N 2 0 380.493 -1.293 20 0 GAADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001185250191 1075350585 /nfs/dbraw/zinc/35/05/85/1075350585.db2.gz DDMFNKLKFFUKQF-KRWDZBQOSA-N 2 0 394.564 -1.071 20 0 GAADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001185250200 1075350422 /nfs/dbraw/zinc/35/04/22/1075350422.db2.gz DDMFNKLKFFUKQF-QGZVFWFLSA-N 2 0 394.564 -1.071 20 0 GAADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)C[N@@H+]1CC[C@H](O)C1)CC2 ZINC001186037281 1075355403 /nfs/dbraw/zinc/35/54/03/1075355403.db2.gz GYQBVCUTQHRWCX-INIZCTEOSA-N 2 0 381.521 -1.250 20 0 GAADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)C[N@@H+]1CC[C@@H](O)C1)CC2 ZINC001186037296 1075355604 /nfs/dbraw/zinc/35/56/04/1075355604.db2.gz GYQBVCUTQHRWCX-MRXNPFEDSA-N 2 0 381.521 -1.250 20 0 GAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC001218516418 1074020444 /nfs/dbraw/zinc/02/04/44/1074020444.db2.gz INECTYOESWNYEV-AAEUAGOBSA-N 2 0 377.449 -1.521 20 0 GAADRP Nc1cn(C(=O)[C@@H]2CCCN2C(=O)C[NH3+])ccc1=[NH+]CCN1CCOCC1 ZINC001218619996 1074022207 /nfs/dbraw/zinc/02/22/07/1074022207.db2.gz MEMAMPIBGMYQBW-INIZCTEOSA-N 2 0 376.461 -1.107 20 0 GAADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)n1ccc(=[NH+]CCN2CCOCC2)c(N)c1 ZINC001218620077 1074022354 /nfs/dbraw/zinc/02/23/54/1074022354.db2.gz DSJNQZJJCKTJEP-CYBMUJFWSA-N 2 0 379.465 -1.281 20 0 GAADRP Nc1cn(C(=O)[C@@H](N)CN2CCC([NH3+])CC2)ccc1=[NH+]CCN1CCOCC1 ZINC001218620081 1074022422 /nfs/dbraw/zinc/02/24/22/1074022422.db2.gz NIZKQQQANQJIEN-KRWDZBQOSA-N 2 0 391.520 -1.306 20 0 GAADRP Nc1cn(C(=O)[C@H](N)CN2CCC([NH3+])CC2)ccc1=[NH+]CCN1CCOCC1 ZINC001218620082 1074022534 /nfs/dbraw/zinc/02/25/34/1074022534.db2.gz NIZKQQQANQJIEN-QGZVFWFLSA-N 2 0 391.520 -1.306 20 0 GAADRP Nc1cn(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)ccc1=[NH+]CCN1CCOCC1 ZINC001218620947 1074022518 /nfs/dbraw/zinc/02/25/18/1074022518.db2.gz SVXOKSZBBQFSSB-INIZCTEOSA-N 2 0 376.461 -1.726 20 0 GAADRP Nc1cn(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)ccc1=[NH+]CCN1CCOCC1 ZINC001218620948 1074022450 /nfs/dbraw/zinc/02/24/50/1074022450.db2.gz SVXOKSZBBQFSSB-MRXNPFEDSA-N 2 0 376.461 -1.726 20 0 GAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N(c1ncccc1N)C1CC[NH2+]CC1)C(N)=O ZINC001218695938 1074023737 /nfs/dbraw/zinc/02/37/37/1074023737.db2.gz KSSHQVAPRSWEMB-SMDDNHRTSA-N 2 0 391.476 -1.154 20 0 GAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N(c1ncccc1N)C1CC[NH2+]CC1 ZINC001218696074 1074023754 /nfs/dbraw/zinc/02/37/54/1074023754.db2.gz LXRPKNONFBTYEV-GWCFXTLKSA-N 2 0 377.449 -1.544 20 0 GAADRP N=c1nc2c(ncn2COCCO)c(N)n1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218701702 1074023702 /nfs/dbraw/zinc/02/37/02/1074023702.db2.gz DKLQZZAAMGNYSR-QLJPJBMISA-N 2 0 376.421 -1.900 20 0 GAADRP N=c1nc2c(ncn2COCCO)c(N)n1C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218702003 1074023848 /nfs/dbraw/zinc/02/38/48/1074023848.db2.gz HUKISHVQVISFRU-LLVKDONJSA-N 2 0 390.448 -1.225 20 0 GAADRP N=c1nc2c(ncn2COCCO)c(N)n1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218702005 1074024006 /nfs/dbraw/zinc/02/40/06/1074024006.db2.gz HUKISHVQVISFRU-NSHDSACASA-N 2 0 390.448 -1.225 20 0 GAADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)n1c(N)c2ncn(COCCO)c2nc1=N ZINC001218703602 1074023948 /nfs/dbraw/zinc/02/39/48/1074023948.db2.gz GLFWMXIZCVPERI-NSHDSACASA-N 2 0 380.453 -1.040 20 0 GAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(N2CCC([NH3+])CC2)nc1 ZINC001218724349 1074024456 /nfs/dbraw/zinc/02/44/56/1074024456.db2.gz OATCGNNRYQHXKE-GWCFXTLKSA-N 2 0 377.449 -1.345 20 0 GAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1)C(N)=O ZINC001218731264 1074024349 /nfs/dbraw/zinc/02/43/49/1074024349.db2.gz KHVUJAHONVKLNX-CYZMBNFOSA-N 2 0 378.433 -1.142 20 0 GAADRP O=C(Nc1ccnc2c(N(CCO)CCO)cnn21)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218770384 1074024915 /nfs/dbraw/zinc/02/49/15/1074024915.db2.gz FGTPWNYJADIRBH-GFCCVEGCSA-N 2 0 375.433 -1.732 20 0 GAADRP O=C(Nc1ccnc2c(N(CCO)CCO)cnn21)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218770385 1074025505 /nfs/dbraw/zinc/02/55/05/1074025505.db2.gz FGTPWNYJADIRBH-LBPRGKRZSA-N 2 0 375.433 -1.732 20 0 GAADRP O=C(Nc1ccnc2c(N(CCO)CCO)cnn21)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218770399 1074025436 /nfs/dbraw/zinc/02/54/36/1074025436.db2.gz FPCOGOCQUUITAL-FZKQIMNGSA-N 2 0 389.460 -1.342 20 0 GAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1ccnc2c(N(CCO)CCO)cnn21 ZINC001218770401 1074025544 /nfs/dbraw/zinc/02/55/44/1074025544.db2.gz FSNKCZUMBMOEIN-NSHDSACASA-N 2 0 383.478 -1.522 20 0 GAADRP [NH3+][C@H](C(=O)Nc1ccnc2c(N(CCO)CCO)cnn21)C1CC[NH2+]CC1 ZINC001218770409 1074025401 /nfs/dbraw/zinc/02/54/01/1074025401.db2.gz FWJVDCZTUYXXQC-HNNXBMFYSA-N 2 0 377.449 -1.214 20 0 GAADRP [NH3+][C@@H](C(=O)Nc1ccnc2c(N(CCO)CCO)cnn21)C1CC[NH2+]CC1 ZINC001218770410 1074025611 /nfs/dbraw/zinc/02/56/11/1074025611.db2.gz FWJVDCZTUYXXQC-OAHLLOKOSA-N 2 0 377.449 -1.214 20 0 GAADRP Nc1ncn(C(=O)C2(N)CC[NH2+]CC2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218774836 1074025489 /nfs/dbraw/zinc/02/54/89/1074025489.db2.gz BUDAPUGAIOJNED-GHMZBOCLSA-N 2 0 383.884 -1.289 20 0 GAADRP Nc1ncn(C(=O)C2(N)CC[NH2+]CC2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218774837 1074025964 /nfs/dbraw/zinc/02/59/64/1074025964.db2.gz BUDAPUGAIOJNED-MNOVXSKESA-N 2 0 383.884 -1.289 20 0 GAADRP Nc1ncn(C(=O)C2(N)CC[NH2+]CC2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218774838 1074025892 /nfs/dbraw/zinc/02/58/92/1074025892.db2.gz BUDAPUGAIOJNED-QWRGUYRKSA-N 2 0 383.884 -1.289 20 0 GAADRP Nc1ncn(C(=O)C2(N)CC[NH2+]CC2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218774839 1074026018 /nfs/dbraw/zinc/02/60/18/1074026018.db2.gz BUDAPUGAIOJNED-WDEREUQCSA-N 2 0 383.884 -1.289 20 0 GAADRP Nc1ncn(C(=O)[C@@H]2C[NH2+]CC[C@@H]2O)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218775428 1074025982 /nfs/dbraw/zinc/02/59/82/1074025982.db2.gz CCZRODLCGNVJOH-USZNOCQGSA-N 2 0 384.868 -1.400 20 0 GAADRP Nc1ncn(C(=O)[C@@H]2C[NH2+]CC[C@@H]2O)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218775439 1074026055 /nfs/dbraw/zinc/02/60/55/1074026055.db2.gz CCZRODLCGNVJOH-WHOHXGKFSA-N 2 0 384.868 -1.400 20 0 GAADRP Nc1ncn(C(=O)[C@@H]2C[NH2+]CC[C@@H]2O)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218775440 1074026192 /nfs/dbraw/zinc/02/61/92/1074026192.db2.gz CCZRODLCGNVJOH-WISYIIOYSA-N 2 0 384.868 -1.400 20 0 GAADRP Nc1ncn(C(=O)[C@@H]2C[NH2+]CC[C@@H]2O)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218775441 1074026089 /nfs/dbraw/zinc/02/60/89/1074026089.db2.gz CCZRODLCGNVJOH-WYUUTHIRSA-N 2 0 384.868 -1.400 20 0 GAADRP Nc1ncn(C(=O)[C@@H]([NH3+])Cc2cnc[nH]2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218775720 1074025820 /nfs/dbraw/zinc/02/58/20/1074025820.db2.gz DEBKRZLAXLDAMH-ADEWGFFLSA-N 2 0 394.867 -1.077 20 0 GAADRP Nc1ncn(C(=O)[C@@H]([NH3+])Cc2cnc[nH]2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218775721 1074026158 /nfs/dbraw/zinc/02/61/58/1074026158.db2.gz DEBKRZLAXLDAMH-DLOVCJGASA-N 2 0 394.867 -1.077 20 0 GAADRP Nc1ncn(C(=O)[C@H]([NH3+])Cc2cnc[nH]2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218775722 1074026027 /nfs/dbraw/zinc/02/60/27/1074026027.db2.gz DEBKRZLAXLDAMH-JLLWLGSASA-N 2 0 394.867 -1.077 20 0 GAADRP Nc1ncn(C(=O)[C@H]([NH3+])Cc2cnc[nH]2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218775723 1074026060 /nfs/dbraw/zinc/02/60/60/1074026060.db2.gz DEBKRZLAXLDAMH-MVWJERBFSA-N 2 0 394.867 -1.077 20 0 GAADRP Nc1ncn(C(=O)[C@@H]([NH3+])Cc2cnc[nH]2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218775724 1074026096 /nfs/dbraw/zinc/02/60/96/1074026096.db2.gz DEBKRZLAXLDAMH-USWWRNFRSA-N 2 0 394.867 -1.077 20 0 GAADRP Nc1ncn(C(=O)[C@H]([NH3+])Cc2cnc[nH]2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218775725 1074025989 /nfs/dbraw/zinc/02/59/89/1074025989.db2.gz DEBKRZLAXLDAMH-WCQGTBRESA-N 2 0 394.867 -1.077 20 0 GAADRP Nc1ncn(C(=O)[C@H]([NH3+])Cc2cnc[nH]2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218775726 1074025763 /nfs/dbraw/zinc/02/57/63/1074025763.db2.gz DEBKRZLAXLDAMH-YUSALJHKSA-N 2 0 394.867 -1.077 20 0 GAADRP Nc1ncn(C(=O)[C@@H]([NH3+])Cc2cnc[nH]2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218775727 1074025909 /nfs/dbraw/zinc/02/59/09/1074025909.db2.gz DEBKRZLAXLDAMH-ZMLRMANQSA-N 2 0 394.867 -1.077 20 0 GAADRP C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218776221 1074026139 /nfs/dbraw/zinc/02/61/39/1074026139.db2.gz AVLZJKSLROLTHA-MMWGEVLESA-N 2 0 399.883 -1.518 20 0 GAADRP C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218776228 1074026426 /nfs/dbraw/zinc/02/64/26/1074026426.db2.gz AVLZJKSLROLTHA-NAKRPEOUSA-N 2 0 399.883 -1.518 20 0 GAADRP C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218776229 1074026401 /nfs/dbraw/zinc/02/64/01/1074026401.db2.gz AVLZJKSLROLTHA-UKKRHICBSA-N 2 0 399.883 -1.518 20 0 GAADRP C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218776230 1074026500 /nfs/dbraw/zinc/02/65/00/1074026500.db2.gz AVLZJKSLROLTHA-XWLWVQCSSA-N 2 0 399.883 -1.518 20 0 GAADRP Nc1ncn(C(=O)[C@@H]([NH3+])Cn2cccn2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218776331 1074026596 /nfs/dbraw/zinc/02/65/96/1074026596.db2.gz FYAMSRZPSXWNQT-GRYCIOLGSA-N 2 0 394.867 -1.146 20 0 GAADRP Nc1ncn(C(=O)[C@@H]([NH3+])Cn2cccn2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218776332 1074026378 /nfs/dbraw/zinc/02/63/78/1074026378.db2.gz FYAMSRZPSXWNQT-SDDRHHMPSA-N 2 0 394.867 -1.146 20 0 GAADRP Nc1ncn(C(=O)[C@@H]([NH3+])Cn2cccn2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218776333 1074026487 /nfs/dbraw/zinc/02/64/87/1074026487.db2.gz FYAMSRZPSXWNQT-SRVKXCTJSA-N 2 0 394.867 -1.146 20 0 GAADRP Nc1ncn(C(=O)[C@@H]([NH3+])Cn2cccn2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218776334 1074026461 /nfs/dbraw/zinc/02/64/61/1074026461.db2.gz FYAMSRZPSXWNQT-WOPDTQHZSA-N 2 0 394.867 -1.146 20 0 GAADRP Nc1ncn(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218776376 1074026413 /nfs/dbraw/zinc/02/64/13/1074026413.db2.gz GRJACCHYCXOVJD-GRYCIOLGSA-N 3 0 395.895 -1.561 20 0 GAADRP Nc1ncn(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218776377 1074026537 /nfs/dbraw/zinc/02/65/37/1074026537.db2.gz GRJACCHYCXOVJD-SDDRHHMPSA-N 3 0 395.895 -1.561 20 0 GAADRP Nc1ncn(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218776378 1074026588 /nfs/dbraw/zinc/02/65/88/1074026588.db2.gz GRJACCHYCXOVJD-SRVKXCTJSA-N 3 0 395.895 -1.561 20 0 GAADRP Nc1ncn(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218776379 1074026439 /nfs/dbraw/zinc/02/64/39/1074026439.db2.gz GRJACCHYCXOVJD-WOPDTQHZSA-N 3 0 395.895 -1.561 20 0 GAADRP Nc1ncn(C(=O)[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218776536 1074026583 /nfs/dbraw/zinc/02/65/83/1074026583.db2.gz LUSHNDDWGHUDMX-FPYNETTCSA-N 2 0 396.879 -1.136 20 0 GAADRP Nc1ncn(C(=O)[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218776537 1074026575 /nfs/dbraw/zinc/02/65/75/1074026575.db2.gz LUSHNDDWGHUDMX-NAWOPXAZSA-N 2 0 396.879 -1.136 20 0 GAADRP Nc1ncn(C(=O)[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218776538 1074026395 /nfs/dbraw/zinc/02/63/95/1074026395.db2.gz LUSHNDDWGHUDMX-OBPIAQAESA-N 2 0 396.879 -1.136 20 0 GAADRP Nc1ncn(C(=O)[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218776539 1074026529 /nfs/dbraw/zinc/02/65/29/1074026529.db2.gz LUSHNDDWGHUDMX-UJPOAAIJSA-N 2 0 396.879 -1.136 20 0 GAADRP Nc1ncn(C(=O)[C@]2(N)CCC[NH2+]C2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218777479 1074026368 /nfs/dbraw/zinc/02/63/68/1074026368.db2.gz PUICFACGMZCQHF-GDLVEWKHSA-N 2 0 383.884 -1.289 20 0 GAADRP Nc1ncn(C(=O)[C@]2(N)CCC[NH2+]C2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218777480 1074026886 /nfs/dbraw/zinc/02/68/86/1074026886.db2.gz PUICFACGMZCQHF-MMPTUQATSA-N 2 0 383.884 -1.289 20 0 GAADRP Nc1ncn(C(=O)[C@]2(N)CCC[NH2+]C2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218777481 1074026846 /nfs/dbraw/zinc/02/68/46/1074026846.db2.gz PUICFACGMZCQHF-USBNGQNGSA-N 2 0 383.884 -1.289 20 0 GAADRP Nc1ncn(C(=O)[C@]2(N)CCC[NH2+]C2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218777484 1074026832 /nfs/dbraw/zinc/02/68/32/1074026832.db2.gz PUICFACGMZCQHF-UVWXRNBGSA-N 2 0 383.884 -1.289 20 0 GAADRP Nc1ncn(C(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218777489 1074026970 /nfs/dbraw/zinc/02/69/70/1074026970.db2.gz PVTHBJWPNQQQFA-NOTMTFQTSA-N 2 0 395.895 -1.148 20 0 GAADRP Nc1ncn(C(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218777504 1074026852 /nfs/dbraw/zinc/02/68/52/1074026852.db2.gz PVTHBJWPNQQQFA-PECCFSRDSA-N 2 0 395.895 -1.148 20 0 GAADRP Nc1ncn(C(=O)[C@]23C[NH2+]C[C@H]2COC3)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218777508 1074026474 /nfs/dbraw/zinc/02/64/74/1074026474.db2.gz IQFSTHGBGHDZAH-DRAKQNMHSA-N 2 0 396.879 -1.134 20 0 GAADRP Nc1ncn(C(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218777509 1074026928 /nfs/dbraw/zinc/02/69/28/1074026928.db2.gz PVTHBJWPNQQQFA-RYXKWFTGSA-N 2 0 395.895 -1.148 20 0 GAADRP Nc1ncn(C(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218777511 1074026892 /nfs/dbraw/zinc/02/68/92/1074026892.db2.gz PVTHBJWPNQQQFA-ZXUSFQGYSA-N 2 0 395.895 -1.148 20 0 GAADRP Nc1ncn(C(=O)[C@]23C[NH2+]C[C@H]2COC3)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218777513 1074026519 /nfs/dbraw/zinc/02/65/19/1074026519.db2.gz IQFSTHGBGHDZAH-PXDYOCJYSA-N 2 0 396.879 -1.134 20 0 GAADRP Nc1ncn(C(=O)[C@]23C[NH2+]C[C@H]2COC3)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218777518 1074026454 /nfs/dbraw/zinc/02/64/54/1074026454.db2.gz IQFSTHGBGHDZAH-QLQJRFMMSA-N 2 0 396.879 -1.134 20 0 GAADRP Nc1ncn(C(=O)[C@]23C[NH2+]C[C@H]2COC3)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218777521 1074026961 /nfs/dbraw/zinc/02/69/61/1074026961.db2.gz IQFSTHGBGHDZAH-UWCDFFNFSA-N 2 0 396.879 -1.134 20 0 GAADRP Nc1ncn(C(=O)/C=C/C(=O)NCC[NH3+])c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218777526 1074027012 /nfs/dbraw/zinc/02/70/12/1074027012.db2.gz IUBGUWGVISVZIW-SWIRDCPUSA-N 2 0 397.867 -1.739 20 0 GAADRP Nc1ncn(C(=O)/C=C/C(=O)NCC[NH3+])c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218777535 1074026995 /nfs/dbraw/zinc/02/69/95/1074026995.db2.gz IUBGUWGVISVZIW-VBHZITNMSA-N 2 0 397.867 -1.739 20 0 GAADRP Nc1ncn(C(=O)/C=C/C(=O)NCC[NH3+])c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218777538 1074026822 /nfs/dbraw/zinc/02/68/22/1074026822.db2.gz IUBGUWGVISVZIW-XYOKGXPASA-N 2 0 397.867 -1.739 20 0 GAADRP NC(=O)CC[C@H]([NH3+])CC(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218777539 1074026878 /nfs/dbraw/zinc/02/68/78/1074026878.db2.gz QAAQGIPCZRCDPJ-DCAQKATOSA-N 2 0 399.883 -1.387 20 0 GAADRP Nc1ncn(C(=O)/C=C/C(=O)NCC[NH3+])c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218777541 1074026839 /nfs/dbraw/zinc/02/68/39/1074026839.db2.gz IUBGUWGVISVZIW-ZKBBTDGLSA-N 2 0 397.867 -1.739 20 0 GAADRP NC(=O)CC[C@H]([NH3+])CC(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218777542 1074027034 /nfs/dbraw/zinc/02/70/34/1074027034.db2.gz QAAQGIPCZRCDPJ-GARJFASQSA-N 2 0 399.883 -1.387 20 0 GAADRP NC(=O)CC[C@H]([NH3+])CC(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218777545 1074026871 /nfs/dbraw/zinc/02/68/71/1074026871.db2.gz QAAQGIPCZRCDPJ-OUAUKWLOSA-N 2 0 399.883 -1.387 20 0 GAADRP NC(=O)CC[C@H]([NH3+])CC(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218777548 1074026918 /nfs/dbraw/zinc/02/69/18/1074026918.db2.gz QAAQGIPCZRCDPJ-VWYCJHECSA-N 2 0 399.883 -1.387 20 0 GAADRP Nc1ncn(C(=O)C2=NO[C@@H]3C[NH2+]C[C@H]23)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218777947 1074026912 /nfs/dbraw/zinc/02/69/12/1074026912.db2.gz QYZAZURMQYWZMJ-LMLFDSFASA-N 2 0 395.851 -1.396 20 0 GAADRP Nc1ncn(C(=O)C2=NO[C@@H]3C[NH2+]C[C@H]23)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218777961 1074026953 /nfs/dbraw/zinc/02/69/53/1074026953.db2.gz QYZAZURMQYWZMJ-UKKRHICBSA-N 2 0 395.851 -1.396 20 0 GAADRP Nc1ncn(C(=O)C2=NO[C@@H]3C[NH2+]C[C@H]23)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218777963 1074027005 /nfs/dbraw/zinc/02/70/05/1074027005.db2.gz QYZAZURMQYWZMJ-VPOLOUISSA-N 2 0 395.851 -1.396 20 0 GAADRP Nc1ncn(C(=O)C2=NO[C@@H]3C[NH2+]C[C@H]23)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218777964 1074027024 /nfs/dbraw/zinc/02/70/24/1074027024.db2.gz QYZAZURMQYWZMJ-XWLWVQCSSA-N 2 0 395.851 -1.396 20 0 GAADRP Nc1ncn(C(=O)C2(O)CC[NH2+]CC2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218778309 1074027206 /nfs/dbraw/zinc/02/72/06/1074027206.db2.gz SJHSZQGCMASEFD-GHMZBOCLSA-N 2 0 384.868 -1.256 20 0 GAADRP Nc1ncn(C(=O)C2(O)CC[NH2+]CC2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218778327 1074027447 /nfs/dbraw/zinc/02/74/47/1074027447.db2.gz SJHSZQGCMASEFD-MNOVXSKESA-N 2 0 384.868 -1.256 20 0 GAADRP Nc1ncn(C(=O)C2(O)CC[NH2+]CC2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218778329 1074027426 /nfs/dbraw/zinc/02/74/26/1074027426.db2.gz SJHSZQGCMASEFD-QWRGUYRKSA-N 2 0 384.868 -1.256 20 0 GAADRP Nc1ncn(C(=O)C2(O)CC[NH2+]CC2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218778330 1074027372 /nfs/dbraw/zinc/02/73/72/1074027372.db2.gz SJHSZQGCMASEFD-WDEREUQCSA-N 2 0 384.868 -1.256 20 0 GAADRP Nc1ncn(C(=O)[C@@H]2C[NH2+]CCC2=O)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218778612 1074027213 /nfs/dbraw/zinc/02/72/13/1074027213.db2.gz UGHLLGBLDDRHJI-CKYFFXLPSA-N 2 0 382.852 -1.191 20 0 GAADRP Nc1ncn(C(=O)[C@@H]2C[NH2+]CCC2=O)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218778613 1074027283 /nfs/dbraw/zinc/02/72/83/1074027283.db2.gz UGHLLGBLDDRHJI-FOGDFJRCSA-N 2 0 382.852 -1.191 20 0 GAADRP Nc1ncn(C(=O)[C@@H]2C[NH2+]CCC2=O)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218778614 1074027239 /nfs/dbraw/zinc/02/72/39/1074027239.db2.gz UGHLLGBLDDRHJI-HOSYDEDBSA-N 2 0 382.852 -1.191 20 0 GAADRP Nc1ncn(C(=O)[C@@H]2C[NH2+]CCC2=O)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218778615 1074027396 /nfs/dbraw/zinc/02/73/96/1074027396.db2.gz UGHLLGBLDDRHJI-UMNHJUIQSA-N 2 0 382.852 -1.191 20 0 GAADRP Nc1ncn(C(=O)CN2CC[NH2+]CC2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218778632 1074027316 /nfs/dbraw/zinc/02/73/16/1074027316.db2.gz ULQZNPKOACRKBB-NEPJUHHUSA-N 2 0 383.884 -1.465 20 0 GAADRP Nc1ncn(C(=O)CN2CC[NH2+]CC2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218778633 1074027347 /nfs/dbraw/zinc/02/73/47/1074027347.db2.gz ULQZNPKOACRKBB-NWDGAFQWSA-N 2 0 383.884 -1.465 20 0 GAADRP Nc1ncn(C(=O)CN2CC[NH2+]CC2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218778634 1074027301 /nfs/dbraw/zinc/02/73/01/1074027301.db2.gz ULQZNPKOACRKBB-RYUDHWBXSA-N 2 0 383.884 -1.465 20 0 GAADRP Nc1ncn(C(=O)CN2CC[NH2+]CC2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218778635 1074027416 /nfs/dbraw/zinc/02/74/16/1074027416.db2.gz ULQZNPKOACRKBB-VXGBXAGGSA-N 2 0 383.884 -1.465 20 0 GAADRP Nc1ncn(C(=O)[C@@]23C[NH2+][C@@H](CO2)C3)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218778640 1074027271 /nfs/dbraw/zinc/02/72/71/1074027271.db2.gz UNYRWWJOGYGMQU-CVXDLRIPSA-N 2 0 382.852 -1.239 20 0 GAADRP Nc1ncn(C(=O)[C@@]23C[NH2+][C@@H](CO2)C3)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218778641 1074027230 /nfs/dbraw/zinc/02/72/30/1074027230.db2.gz UNYRWWJOGYGMQU-LDMQVWGESA-N 2 0 382.852 -1.239 20 0 GAADRP Nc1ncn(C(=O)[C@@]23C[NH2+][C@@H](CO2)C3)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218778642 1074027435 /nfs/dbraw/zinc/02/74/35/1074027435.db2.gz UNYRWWJOGYGMQU-OJLPPKNESA-N 2 0 382.852 -1.239 20 0 GAADRP Nc1ncn(C(=O)[C@@]23C[NH2+][C@@H](CO2)C3)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218778643 1074027385 /nfs/dbraw/zinc/02/73/85/1074027385.db2.gz UNYRWWJOGYGMQU-QUIZZNFMSA-N 2 0 382.852 -1.239 20 0 GAADRP Nc1ncn(C(=O)[C@@H]2C[NH2+]C[C@H](O)C2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218779616 1074027844 /nfs/dbraw/zinc/02/78/44/1074027844.db2.gz NQEPORSRUQLRAH-KXNHARMFSA-N 2 0 384.868 -1.400 20 0 GAADRP Nc1ncn(C(=O)[C@@H]2C[NH2+]C[C@H](O)C2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218779618 1074027866 /nfs/dbraw/zinc/02/78/66/1074027866.db2.gz NQEPORSRUQLRAH-NNYUYHANSA-N 2 0 384.868 -1.400 20 0 GAADRP Nc1ncn(C(=O)[C@@H]2C[NH2+]C[C@H](O)C2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218779622 1074027673 /nfs/dbraw/zinc/02/76/73/1074027673.db2.gz NQEPORSRUQLRAH-WRWGMCAJSA-N 2 0 384.868 -1.400 20 0 GAADRP Nc1ncn(C(=O)[C@@H]2C[NH2+]C[C@H](O)C2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218779626 1074027744 /nfs/dbraw/zinc/02/77/44/1074027744.db2.gz NQEPORSRUQLRAH-YFKTTZPYSA-N 2 0 384.868 -1.400 20 0 GAADRP Nc1ncn(C(=O)[C@]23C[NH2+]C[C@@H]2CCN3)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218781524 1074027757 /nfs/dbraw/zinc/02/77/57/1074027757.db2.gz SRBPOHFORUVEOD-DRAKQNMHSA-N 2 0 395.895 -1.419 20 0 GAADRP Nc1ncn(C(=O)[C@]23C[NH2+]C[C@@H]2CCN3)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218781527 1074027751 /nfs/dbraw/zinc/02/77/51/1074027751.db2.gz SRBPOHFORUVEOD-PXDYOCJYSA-N 2 0 395.895 -1.419 20 0 GAADRP Nc1ncn(C(=O)[C@]23C[NH2+]C[C@@H]2CCN3)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218781528 1074027719 /nfs/dbraw/zinc/02/77/19/1074027719.db2.gz SRBPOHFORUVEOD-QLQJRFMMSA-N 2 0 395.895 -1.419 20 0 GAADRP Nc1ncn(C(=O)[C@]23C[NH2+]C[C@@H]2CCN3)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218781530 1074027766 /nfs/dbraw/zinc/02/77/66/1074027766.db2.gz SRBPOHFORUVEOD-UWCDFFNFSA-N 2 0 395.895 -1.419 20 0 GAADRP CN1CC[NH2+]C[C@@H]1C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218781617 1074027809 /nfs/dbraw/zinc/02/78/09/1074027809.db2.gz QQILOOYGGSVUGJ-IJLUTSLNSA-N 2 0 383.884 -1.466 20 0 GAADRP CN1CC[NH2+]C[C@@H]1C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218781618 1074027641 /nfs/dbraw/zinc/02/76/41/1074027641.db2.gz QQILOOYGGSVUGJ-QJPTWQEYSA-N 2 0 383.884 -1.466 20 0 GAADRP CN1CC[NH2+]C[C@@H]1C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218781619 1074027624 /nfs/dbraw/zinc/02/76/24/1074027624.db2.gz QQILOOYGGSVUGJ-TUAOUCFPSA-N 2 0 383.884 -1.466 20 0 GAADRP CN1CC[NH2+]C[C@@H]1C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218781620 1074028058 /nfs/dbraw/zinc/02/80/58/1074028058.db2.gz QQILOOYGGSVUGJ-UTUOFQBUSA-N 2 0 383.884 -1.466 20 0 GAADRP Nc1ncn(C(=O)CNC2CC[NH2+]CC2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218782552 1074028127 /nfs/dbraw/zinc/02/81/27/1074028127.db2.gz VHGPIGPYXXIYAR-AAEUAGOBSA-N 2 0 397.911 -1.028 20 0 GAADRP Nc1ncn(C(=O)CNC2CC[NH2+]CC2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218782620 1074028109 /nfs/dbraw/zinc/02/81/09/1074028109.db2.gz VHGPIGPYXXIYAR-DGCLKSJQSA-N 2 0 397.911 -1.028 20 0 GAADRP Nc1ncn(C(=O)CNC2CC[NH2+]CC2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218782621 1074028076 /nfs/dbraw/zinc/02/80/76/1074028076.db2.gz VHGPIGPYXXIYAR-WCQYABFASA-N 2 0 397.911 -1.028 20 0 GAADRP Nc1ncn(C(=O)CNC2CC[NH2+]CC2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218782622 1074028099 /nfs/dbraw/zinc/02/80/99/1074028099.db2.gz VHGPIGPYXXIYAR-YPMHNXCESA-N 2 0 397.911 -1.028 20 0 GAADRP C[C@]1(C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@H]2O)CC[NH2+]C[C@H]1O ZINC001218784024 1074028180 /nfs/dbraw/zinc/02/81/80/1074028180.db2.gz XUBFXTGWRYHYRS-AEMSQSNESA-N 2 0 398.895 -1.010 20 0 GAADRP C[C@]1(C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@H]2O)CC[NH2+]C[C@@H]1O ZINC001218784058 1074028188 /nfs/dbraw/zinc/02/81/88/1074028188.db2.gz XUBFXTGWRYHYRS-JJHQXXDFSA-N 2 0 398.895 -1.010 20 0 GAADRP C[C@]1(C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@@H]2O)CC[NH2+]C[C@H]1O ZINC001218784059 1074028087 /nfs/dbraw/zinc/02/80/87/1074028087.db2.gz XUBFXTGWRYHYRS-PXDYOCJYSA-N 2 0 398.895 -1.010 20 0 GAADRP C[C@]1(C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@@H]2O)CC[NH2+]C[C@@H]1O ZINC001218784060 1074028226 /nfs/dbraw/zinc/02/82/26/1074028226.db2.gz XUBFXTGWRYHYRS-UWCDFFNFSA-N 2 0 398.895 -1.010 20 0 GAADRP Nc1ncn(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218785181 1074028164 /nfs/dbraw/zinc/02/81/64/1074028164.db2.gz SMPAXCWCUKLYJF-MBNYWOFBSA-N 3 0 397.911 -1.043 20 0 GAADRP Nc1ncn(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218785182 1074028142 /nfs/dbraw/zinc/02/81/42/1074028142.db2.gz SMPAXCWCUKLYJF-OUCADQQQSA-N 3 0 397.911 -1.043 20 0 GAADRP Nc1ncn(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218785183 1074028194 /nfs/dbraw/zinc/02/81/94/1074028194.db2.gz SMPAXCWCUKLYJF-SGMGOOAPSA-N 3 0 397.911 -1.043 20 0 GAADRP Nc1ncn(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218785184 1074028523 /nfs/dbraw/zinc/02/85/23/1074028523.db2.gz SMPAXCWCUKLYJF-YRGRVCCFSA-N 3 0 397.911 -1.043 20 0 GAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)Nc1ccc(N2CC[NH+](CCO)CC2)cc1 ZINC001218873337 1074029124 /nfs/dbraw/zinc/02/91/24/1074029124.db2.gz IESUUMSTMCVTNE-UHFFFAOYSA-N 2 0 399.517 -1.040 20 0 GAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1ccc(N2CC[NH+](CCO)CC2)cc1 ZINC001218874885 1074029040 /nfs/dbraw/zinc/02/90/40/1074029040.db2.gz YXGHUERFULTZTM-BBRMVZONSA-N 2 0 379.461 -1.436 20 0 GAADRP NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@H]([NH3+])CCC[NH3+])cc1Cl ZINC001218879327 1074029482 /nfs/dbraw/zinc/02/94/82/1074029482.db2.gz RYKKZHPFSRLLOD-SSDOTTSWSA-N 2 0 399.882 -1.361 20 0 GAADRP NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@@H]([NH3+])CCC[NH3+])cc1Cl ZINC001218879329 1074029556 /nfs/dbraw/zinc/02/95/56/1074029556.db2.gz RYKKZHPFSRLLOD-ZETCQYMHSA-N 2 0 399.882 -1.361 20 0 GAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)Nc1ccccc1C(=O)N1CC[NH2+]CC1 ZINC001218880009 1074029519 /nfs/dbraw/zinc/02/95/19/1074029519.db2.gz PVYXZDVXWCDLJF-UHFFFAOYSA-N 2 0 383.474 -1.109 20 0 GAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccccc1C(=O)N1CC[NH2+]CC1 ZINC001218882442 1074030179 /nfs/dbraw/zinc/03/01/79/1074030179.db2.gz ULSWKYUAGZRLFL-FZMZJTMJSA-N 2 0 390.444 -1.622 20 0 GAADRP C[NH+](C)CCc1ccc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])cc1 ZINC001219022091 1074030427 /nfs/dbraw/zinc/03/04/27/1074030427.db2.gz ADVXAAYNSQUEGG-UHFFFAOYSA-N 2 0 392.460 -1.964 20 0 GAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCC[NH+](C)C)C(=O)CF ZINC001219553597 1074031600 /nfs/dbraw/zinc/03/16/00/1074031600.db2.gz BWOFIVJQEYBOLG-HUBLWGQQSA-N 2 0 389.472 -1.434 20 0 GAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCCC(=O)N1CCOCC1 ZINC001219573046 1074032425 /nfs/dbraw/zinc/03/24/25/1074032425.db2.gz FIKQKBOQLJLEOR-GJZGRUSLSA-N 2 0 383.493 -1.201 20 0 GAADRP CS(=O)(=O)N(CC[NH3+])C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC001219595541 1074032242 /nfs/dbraw/zinc/03/22/42/1074032242.db2.gz DZNZNLQPQSFRMN-STQMWFEESA-N 2 0 388.446 -2.514 20 0 GAADRP CS(=O)(=O)N(CC[NH3+])C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH3+] ZINC001219595866 1074032169 /nfs/dbraw/zinc/03/21/69/1074032169.db2.gz UAVWPQZJCGWNKS-AWEZNQCLSA-N 2 0 381.458 -1.099 20 0 GAADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N(CC[NH3+])S(C)(=O)=O ZINC001219595937 1074032095 /nfs/dbraw/zinc/03/20/95/1074032095.db2.gz WXGXEGXOZFVQQO-RYUDHWBXSA-N 2 0 378.495 -1.133 20 0 GAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219613926 1074032056 /nfs/dbraw/zinc/03/20/56/1074032056.db2.gz QALULJAWVCHGMN-BHDSKKPTSA-N 2 0 379.383 -1.149 20 0 GAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219613927 1074032300 /nfs/dbraw/zinc/03/23/00/1074032300.db2.gz QALULJAWVCHGMN-PKFCDNJMSA-N 2 0 379.383 -1.149 20 0 GAADRP C[N@@H+]1C[C@@H](C(=O)NCCS(=O)(=O)N2CCNCC2)OC2(CC[NH2+]CC2)C1 ZINC001219676607 1074033747 /nfs/dbraw/zinc/03/37/47/1074033747.db2.gz QQALLMPFUZBUFZ-AWEZNQCLSA-N 2 0 389.522 -2.210 20 0 GAADRP C[N@@H+]1C[C@H](C(=O)NCCS(=O)(=O)N2CCNCC2)OC2(CC[NH2+]CC2)C1 ZINC001219676608 1074033948 /nfs/dbraw/zinc/03/39/48/1074033948.db2.gz QQALLMPFUZBUFZ-CQSZACIVSA-N 2 0 389.522 -2.210 20 0 GAADRP O=C(NCCS(=O)(=O)N1CCNCC1)[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001219676921 1074034603 /nfs/dbraw/zinc/03/46/03/1074034603.db2.gz YZRNWWUVGWTTEY-HNNXBMFYSA-N 2 0 387.550 -1.198 20 0 GAADRP O=C(NCCS(=O)(=O)N1CCNCC1)[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001219676922 1074034286 /nfs/dbraw/zinc/03/42/86/1074034286.db2.gz YZRNWWUVGWTTEY-OAHLLOKOSA-N 2 0 387.550 -1.198 20 0 GAADRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)NCCC1(O)C[NH2+]C1 ZINC001219696864 1074035171 /nfs/dbraw/zinc/03/51/71/1074035171.db2.gz NBGKDJKDKVYSPP-KKUMJFAQSA-N 2 0 397.520 -1.304 20 0 GAADRP Cc1ccc(S(=O)(=O)n2cnc(C[C@@H]([NH3+])C(=O)N[C@@H]3C[NH2+]C[C@H]3O)c2)cc1 ZINC001219712524 1074035238 /nfs/dbraw/zinc/03/52/38/1074035238.db2.gz QGYCDWPUUYEOCU-BZUAXINKSA-N 2 0 393.469 -1.253 20 0 GAADRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219714526 1074035262 /nfs/dbraw/zinc/03/52/62/1074035262.db2.gz NOZZLRHRKMMMQH-SBJFKYEJSA-N 2 0 383.493 -1.696 20 0 GAADRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219720785 1074035579 /nfs/dbraw/zinc/03/55/79/1074035579.db2.gz QDSHIVUBGWDQEE-LXFSFDBISA-N 2 0 383.493 -1.302 20 0 GAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743623 1074035650 /nfs/dbraw/zinc/03/56/50/1074035650.db2.gz HXAXFYMRESVIDE-KKUMJFAQSA-N 2 0 395.504 -1.142 20 0 GAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743624 1074035475 /nfs/dbraw/zinc/03/54/75/1074035475.db2.gz HXAXFYMRESVIDE-ZNMIVQPWSA-N 2 0 395.504 -1.142 20 0 GAADRP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219746278 1074035621 /nfs/dbraw/zinc/03/56/21/1074035621.db2.gz HVYSAPLDFCDKDW-LBPRGKRZSA-N 2 0 387.448 -1.285 20 0 GAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219749359 1074035636 /nfs/dbraw/zinc/03/56/36/1074035636.db2.gz LSEATYTZURMDKM-KBPBESRZSA-N 3 0 392.508 -1.165 20 0 GAADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001219749625 1074035502 /nfs/dbraw/zinc/03/55/02/1074035502.db2.gz OYNICPBHAHFKMQ-GFCCVEGCSA-N 2 0 382.490 -1.198 20 0 GAADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001219749629 1074035496 /nfs/dbraw/zinc/03/54/96/1074035496.db2.gz OYNICPBHAHFKMQ-LBPRGKRZSA-N 2 0 382.490 -1.198 20 0 GAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219750024 1074035598 /nfs/dbraw/zinc/03/55/98/1074035598.db2.gz URYLBPIUYJAJDT-RYUDHWBXSA-N 2 0 392.464 -2.158 20 0 GAADRP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219765036 1074035687 /nfs/dbraw/zinc/03/56/87/1074035687.db2.gz SJBGSISGJLRZLA-ILXRZTDVSA-N 2 0 375.477 -1.276 20 0 GAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219766325 1074035536 /nfs/dbraw/zinc/03/55/36/1074035536.db2.gz PRUMMUIDASHKFX-QZWWFDLISA-N 3 0 380.537 -1.156 20 0 GAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219766705 1074035762 /nfs/dbraw/zinc/03/57/62/1074035762.db2.gz ZYYKZRXRALVCHG-XGUBFFRZSA-N 2 0 380.493 -2.149 20 0 GAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)NCC[C@@H]1C[NH2+]Cc2cccn2C1)C(N)=O ZINC001219790024 1074035524 /nfs/dbraw/zinc/03/55/24/1074035524.db2.gz DJXMBSJFCSQOIU-GZBFAFLISA-N 2 0 378.477 -1.189 20 0 GAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)NCC[C@H]1C[NH2+]Cc2cccn2C1)C(N)=O ZINC001219790025 1074035710 /nfs/dbraw/zinc/03/57/10/1074035710.db2.gz DJXMBSJFCSQOIU-KCQAQPDRSA-N 2 0 378.477 -1.189 20 0 GAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)NC1CC[NH+](C2CC[NH2+]CC2)CC1)C(N)=O ZINC001219796377 1074035789 /nfs/dbraw/zinc/03/57/89/1074035789.db2.gz XSMKWJWXXRUNDD-SWLSCSKDSA-N 3 0 382.509 -1.584 20 0 GAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219803310 1074035486 /nfs/dbraw/zinc/03/54/86/1074035486.db2.gz QMCWXLJWXJFCNE-IHRRRGAJSA-N 2 0 381.477 -1.674 20 0 GAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219803311 1074036304 /nfs/dbraw/zinc/03/63/04/1074036304.db2.gz QMCWXLJWXJFCNE-MJBXVCDLSA-N 2 0 381.477 -1.674 20 0 GAADRP C[N@@H+]1C[C@@H](C(=O)NCc2cc(=O)n3c(n2)CNCCC3)OC2(CC[NH2+]CC2)C1 ZINC001219805795 1074036152 /nfs/dbraw/zinc/03/61/52/1074036152.db2.gz DBJPZNYQXUOCAB-HNNXBMFYSA-N 2 0 390.488 -1.194 20 0 GAADRP C[N@@H+]1C[C@H](C(=O)NCc2cc(=O)n3c(n2)CNCCC3)OC2(CC[NH2+]CC2)C1 ZINC001219805796 1074036388 /nfs/dbraw/zinc/03/63/88/1074036388.db2.gz DBJPZNYQXUOCAB-OAHLLOKOSA-N 2 0 390.488 -1.194 20 0 GAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NCc1noc2c1C[NH2+]CC2 ZINC001219811443 1074036237 /nfs/dbraw/zinc/03/62/37/1074036237.db2.gz SAYSZDZSMBOTKS-GWCFXTLKSA-N 2 0 378.433 -1.609 20 0 GAADRP C[N@@H+]1C[C@H](C(=O)NC[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)OC2(CC[NH2+]CC2)C1 ZINC001219833603 1074036852 /nfs/dbraw/zinc/03/68/52/1074036852.db2.gz FLTFYTIQHHXJQP-FCEWJHQRSA-N 3 0 382.505 -1.050 20 0 GAADRP C[N@@H+]1C[C@H](C(=O)NC[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)OC2(CC[NH2+]CC2)C1 ZINC001219833604 1074036703 /nfs/dbraw/zinc/03/67/03/1074036703.db2.gz FLTFYTIQHHXJQP-FRQCXROJSA-N 3 0 382.505 -1.050 20 0 GAADRP C[N@@H+]1C[C@H](C(=O)NC[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)OC2(CC[NH2+]CC2)C1 ZINC001219833606 1074036905 /nfs/dbraw/zinc/03/69/05/1074036905.db2.gz FLTFYTIQHHXJQP-GPMSIDNRSA-N 3 0 382.505 -1.050 20 0 GAADRP C[N@@H+]1C[C@H](C(=O)NC[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)OC2(CC[NH2+]CC2)C1 ZINC001219833608 1074036831 /nfs/dbraw/zinc/03/68/31/1074036831.db2.gz FLTFYTIQHHXJQP-MDZRGWNJSA-N 3 0 382.505 -1.050 20 0 GAADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001219834731 1074037331 /nfs/dbraw/zinc/03/73/31/1074037331.db2.gz SQADSYHRJJBOHT-CKEIUWERSA-N 2 0 391.476 -1.565 20 0 GAADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001219834732 1074037241 /nfs/dbraw/zinc/03/72/41/1074037241.db2.gz SQADSYHRJJBOHT-CPUCHLNUSA-N 2 0 391.476 -1.565 20 0 GAADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001219834733 1074037195 /nfs/dbraw/zinc/03/71/95/1074037195.db2.gz SQADSYHRJJBOHT-JKIFEVAISA-N 2 0 391.476 -1.565 20 0 GAADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001219834734 1074037120 /nfs/dbraw/zinc/03/71/20/1074037120.db2.gz SQADSYHRJJBOHT-KEYYUXOJSA-N 2 0 391.476 -1.565 20 0 GAADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219837252 1074037287 /nfs/dbraw/zinc/03/72/87/1074037287.db2.gz ILUCSRVNAOKXDB-DEYYWGMASA-N 2 0 386.493 -1.244 20 0 GAADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219837253 1074037268 /nfs/dbraw/zinc/03/72/68/1074037268.db2.gz ILUCSRVNAOKXDB-GLJUWKHASA-N 2 0 386.493 -1.244 20 0 GAADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219837254 1074037204 /nfs/dbraw/zinc/03/72/04/1074037204.db2.gz ILUCSRVNAOKXDB-QWQRMKEZSA-N 2 0 386.493 -1.244 20 0 GAADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219837255 1074037174 /nfs/dbraw/zinc/03/71/74/1074037174.db2.gz ILUCSRVNAOKXDB-SUNYJGFJSA-N 2 0 386.493 -1.244 20 0 GAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)C(N)=O ZINC001219838716 1074037143 /nfs/dbraw/zinc/03/71/43/1074037143.db2.gz UALNFZKIQDMKAC-APNQJHFZSA-N 2 0 385.465 -2.405 20 0 GAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)C(N)=O ZINC001219838717 1074037128 /nfs/dbraw/zinc/03/71/28/1074037128.db2.gz UALNFZKIQDMKAC-JRATXPSKSA-N 2 0 385.465 -2.405 20 0 GAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)C(N)=O ZINC001219838718 1074037090 /nfs/dbraw/zinc/03/70/90/1074037090.db2.gz UALNFZKIQDMKAC-SFDCBXKLSA-N 2 0 385.465 -2.405 20 0 GAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)C(N)=O ZINC001219838719 1074037314 /nfs/dbraw/zinc/03/73/14/1074037314.db2.gz UALNFZKIQDMKAC-ZBYUQBLASA-N 2 0 385.465 -2.405 20 0 GAADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NC[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)COC1(C)C ZINC001219839368 1074037597 /nfs/dbraw/zinc/03/75/97/1074037597.db2.gz ZBAPVDPSEPXNIR-AHXJXLJNSA-N 2 0 384.477 -1.192 20 0 GAADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NC[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)COC1(C)C ZINC001219839369 1074037703 /nfs/dbraw/zinc/03/77/03/1074037703.db2.gz ZBAPVDPSEPXNIR-MOROJQBDSA-N 2 0 384.477 -1.192 20 0 GAADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NC[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)COC1(C)C ZINC001219839370 1074037752 /nfs/dbraw/zinc/03/77/52/1074037752.db2.gz ZBAPVDPSEPXNIR-NUXNZHGMSA-N 2 0 384.477 -1.192 20 0 GAADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NC[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)COC1(C)C ZINC001219839371 1074037778 /nfs/dbraw/zinc/03/77/78/1074037778.db2.gz ZBAPVDPSEPXNIR-WZTLGTBRSA-N 2 0 384.477 -1.192 20 0 GAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219852690 1074037635 /nfs/dbraw/zinc/03/76/35/1074037635.db2.gz XGWAHXLSBKNGIS-YYFQZIEXSA-N 2 0 381.477 -1.819 20 0 GAADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219856217 1074037860 /nfs/dbraw/zinc/03/78/60/1074037860.db2.gz CGONEVHMGWQHRT-OLMNGRFOSA-N 2 0 395.504 -1.512 20 0 GAADRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)NCC[NH2+]CCO ZINC001219918641 1074038600 /nfs/dbraw/zinc/03/86/00/1074038600.db2.gz PETSHMMPVCEYSH-KKUMJFAQSA-N 2 0 385.509 -1.446 20 0 GAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCc1cccnc1C1CC[NH2+]CC1 ZINC001219931714 1074038805 /nfs/dbraw/zinc/03/88/05/1074038805.db2.gz XIKJBHWFPDXAAJ-FZMZJTMJSA-N 2 0 376.461 -1.128 20 0 GAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N(c1ccc(C[NH3+])cc1)S(C)(=O)=O ZINC001219939231 1074038732 /nfs/dbraw/zinc/03/87/32/1074038732.db2.gz XCBFEBVQAMQSQD-UHFFFAOYSA-N 2 0 378.476 -1.342 20 0 GAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N(c1ccc(C[NH3+])cc1)S(C)(=O)=O ZINC001219939236 1074038834 /nfs/dbraw/zinc/03/88/34/1074038834.db2.gz XLKQFMRVOARNJY-CABZTGNLSA-N 2 0 385.446 -1.855 20 0 GAADRP C[NH+](C)Cc1cccc(CNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c1 ZINC001219943397 1074039393 /nfs/dbraw/zinc/03/93/93/1074039393.db2.gz HQCXMNCUPZJQNH-UHFFFAOYSA-N 2 0 392.460 -2.328 20 0 GAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCc1cccc(N2CC[NH+](C)CC2)c1 ZINC001219961125 1074039318 /nfs/dbraw/zinc/03/93/18/1074039318.db2.gz GACSEADCKPBOQG-BBRMVZONSA-N 2 0 390.488 -1.238 20 0 GAADRP COC(=O)C1(NC(=O)[C@@H]([NH3+])CCCNC(=O)c2cnccn2)CC[NH2+]CC1 ZINC001219999517 1074039824 /nfs/dbraw/zinc/03/98/24/1074039824.db2.gz WCCQSJPFSGFRFG-LBPRGKRZSA-N 2 0 378.433 -1.275 20 0 GAADRP COC(=O)C1(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])CC[NH2+]CC1 ZINC001220001230 1074039861 /nfs/dbraw/zinc/03/98/61/1074039861.db2.gz MJIQJPMIIAWSFU-KBPBESRZSA-N 3 0 383.493 -1.155 20 0 GAADRP COC(=O)C1(NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])CC[NH2+]CC1 ZINC001220001896 1074039925 /nfs/dbraw/zinc/03/99/25/1074039925.db2.gz ZYCZZXWPQLNCTF-RYUDHWBXSA-N 2 0 383.449 -2.148 20 0 GAADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)n1cnc(C[NH3+])cc1=N ZINC001220020594 1074039708 /nfs/dbraw/zinc/03/97/08/1074039708.db2.gz OKKOKZNWXFSKFS-KBPBESRZSA-N 2 0 391.476 -1.139 20 0 GAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N(Cc1ccccc1)C1(C[NH3+])COC1 ZINC001220022239 1074039631 /nfs/dbraw/zinc/03/96/31/1074039631.db2.gz DELVCGAYEJGVQF-JSGCOSHPSA-N 2 0 377.445 -1.550 20 0 GAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)n1c(=N)sc2c1CC[C@H]([NH3+])C2 ZINC001220025376 1074039845 /nfs/dbraw/zinc/03/98/45/1074039845.db2.gz MSVQHIIEXXTDDZ-NHCYSSNCSA-N 2 0 394.501 -1.060 20 0 GAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC1(C(=O)OC(C)(C)C)CCC([NH3+])CC1 ZINC001220039459 1074040440 /nfs/dbraw/zinc/04/04/40/1074040440.db2.gz FUXGDKOGGKXUMC-GNWPSQFCSA-N 2 0 399.492 -1.208 20 0 GAADRP C[NH2+]CCNC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF ZINC001220054809 1074042295 /nfs/dbraw/zinc/04/22/95/1074042295.db2.gz TVSNPYMTSYBZMZ-MJVIPROJSA-N 2 0 375.445 -1.777 20 0 GAADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001220062045 1074042086 /nfs/dbraw/zinc/04/20/86/1074042086.db2.gz KUHSFQUGBYXOPX-CYBMUJFWSA-N 2 0 384.481 -2.326 20 0 GAADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001220062046 1074042401 /nfs/dbraw/zinc/04/24/01/1074042401.db2.gz KUHSFQUGBYXOPX-ZDUSSCGKSA-N 2 0 384.481 -2.326 20 0 GAADRP CS(=O)(=O)N1CC(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001220145479 1074043222 /nfs/dbraw/zinc/04/32/22/1074043222.db2.gz DHBXZJMIIJUDMX-STQMWFEESA-N 2 0 375.495 -1.806 20 0 GAADRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)NC1(C[NH3+])COC1 ZINC001220156878 1074043402 /nfs/dbraw/zinc/04/34/02/1074043402.db2.gz OMYKCDXNEWVSNB-IHRRRGAJSA-N 2 0 383.493 -1.301 20 0 GAADRP COC(=O)[C@]1(NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)CC[N@H+](Cc2ccccc2)C1 ZINC001220228563 1074043928 /nfs/dbraw/zinc/04/39/28/1074043928.db2.gz QAWQNHDRNQWPGC-RFUYNDQBSA-N 2 0 392.456 -1.255 20 0 GAADRP COC(=O)[C@@]1(NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)CC[N@H+](Cc2ccccc2)C1 ZINC001220228564 1074043835 /nfs/dbraw/zinc/04/38/35/1074043835.db2.gz QAWQNHDRNQWPGC-ZUEVXXBESA-N 2 0 392.456 -1.255 20 0 GAADRP CN(C)S(=O)(=O)CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220268949 1074044391 /nfs/dbraw/zinc/04/43/91/1074044391.db2.gz RXRPBEYTRQFYGA-STQMWFEESA-N 2 0 377.511 -1.559 20 0 GAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@H]1CC[NH2+]C1)C(=O)CF ZINC001220282085 1074044845 /nfs/dbraw/zinc/04/48/45/1074044845.db2.gz GHCWTIDBOCNSHS-ASHKBJFXSA-N 2 0 387.456 -1.634 20 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CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]2C[NH2+]C[C@H]2O)c2nonc21 ZINC001220747939 1074053166 /nfs/dbraw/zinc/05/31/66/1074053166.db2.gz CNLACQVKENLUII-GXSJLCMTSA-N 2 0 398.445 -1.655 20 0 GAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2C[NH2+]C[C@@H]2O)c2nonc21 ZINC001220747940 1074053175 /nfs/dbraw/zinc/05/31/75/1074053175.db2.gz CNLACQVKENLUII-KOLCDFICSA-N 2 0 398.445 -1.655 20 0 GAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2C[NH2+]C[C@H]2O)c2nonc21 ZINC001220747941 1074053065 /nfs/dbraw/zinc/05/30/65/1074053065.db2.gz CNLACQVKENLUII-MWLCHTKSSA-N 2 0 398.445 -1.655 20 0 GAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]2C[NH2+]C[C@@H]2O)c2nonc21 ZINC001220747942 1074052911 /nfs/dbraw/zinc/05/29/11/1074052911.db2.gz CNLACQVKENLUII-ONGXEEELSA-N 2 0 398.445 -1.655 20 0 GAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]2C[C@@H](O)C[NH2+]2)c2nonc21 ZINC001220748109 1074052877 /nfs/dbraw/zinc/05/28/77/1074052877.db2.gz FEULGSLYVGMDRZ-NXEZZACHSA-N 2 0 398.445 -1.512 20 0 GAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2C[C@H](O)C[NH2+]2)c2nonc21 ZINC001220748110 1074053659 /nfs/dbraw/zinc/05/36/59/1074053659.db2.gz FEULGSLYVGMDRZ-UWVGGRQHSA-N 2 0 398.445 -1.512 20 0 GAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@]2(N)CC[NH2+]C2)c2nonc21 ZINC001220748117 1074053536 /nfs/dbraw/zinc/05/35/36/1074053536.db2.gz FNCNZEJRKVWOIA-HNNXBMFYSA-N 2 0 397.461 -1.544 20 0 GAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@]2(N)CC[NH2+]C2)c2nonc21 ZINC001220748118 1074053582 /nfs/dbraw/zinc/05/35/82/1074053582.db2.gz FNCNZEJRKVWOIA-OAHLLOKOSA-N 2 0 397.461 -1.544 20 0 GAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)CNCC[NH3+])c2nonc21 ZINC001220748119 1074053474 /nfs/dbraw/zinc/05/34/74/1074053474.db2.gz FPVLLPGFLKSIGH-UHFFFAOYSA-N 2 0 385.450 -1.687 20 0 GAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2C[C@H]([NH3+])CN2)c2nonc21 ZINC001220748823 1074053591 /nfs/dbraw/zinc/05/35/91/1074053591.db2.gz MYNRCPMGMPAORO-UWVGGRQHSA-N 2 0 397.461 -1.546 20 0 GAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2C[C@@H]([NH3+])CN2)c2nonc21 ZINC001220748824 1074053619 /nfs/dbraw/zinc/05/36/19/1074053619.db2.gz MYNRCPMGMPAORO-ZJUUUORDSA-N 2 0 397.461 -1.546 20 0 GAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]2C[NH2+]C[C@@H]2N)c2nonc21 ZINC001220749128 1074053430 /nfs/dbraw/zinc/05/34/30/1074053430.db2.gz RDDYZHINRDYPGV-UWVGGRQHSA-N 2 0 397.461 -1.689 20 0 GAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H](N)CC[NH3+])c2nonc21 ZINC001220749440 1074053456 /nfs/dbraw/zinc/05/34/56/1074053456.db2.gz VRUFNRNIPURQRO-VIFPVBQESA-N 2 0 385.450 -1.559 20 0 GAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2C[NH2+]CCN2)c2nonc21 ZINC001220749678 1074053615 /nfs/dbraw/zinc/05/36/15/1074053615.db2.gz YCGFUGIALGOAIO-JTQLQIEISA-N 2 0 397.461 -1.674 20 0 GAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]2C[NH2+]CCN2)c2nonc21 ZINC001220749679 1074053586 /nfs/dbraw/zinc/05/35/86/1074053586.db2.gz YCGFUGIALGOAIO-SNVBAGLBSA-N 2 0 397.461 -1.674 20 0 GAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)NC[C@H]1CC[NH2+][C@@H]1c1cccnc1)C(N)=O ZINC001220791220 1074054155 /nfs/dbraw/zinc/05/41/55/1074054155.db2.gz XHALHMXNATUSPH-ADSMDIBLSA-N 2 0 376.461 -1.054 20 0 GAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)NC[C@H]1CC[NH2+][C@H]1c1cccnc1)C(N)=O ZINC001220791221 1074053973 /nfs/dbraw/zinc/05/39/73/1074053973.db2.gz XHALHMXNATUSPH-DCDXPUDHSA-N 2 0 376.461 -1.054 20 0 GAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1)C(N)=O ZINC001220791223 1074054127 /nfs/dbraw/zinc/05/41/27/1074054127.db2.gz XHALHMXNATUSPH-YYWXWVFPSA-N 2 0 376.461 -1.054 20 0 GAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)NC[C@@H]1CC[NH2+][C@H]1c1cccnc1)C(N)=O ZINC001220791225 1074053948 /nfs/dbraw/zinc/05/39/48/1074053948.db2.gz XHALHMXNATUSPH-ZIEJDFEHSA-N 2 0 376.461 -1.054 20 0 GAADRP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])CCCNC(=O)c2cnccn2)C[NH2+]C1 ZINC001220825576 1074054109 /nfs/dbraw/zinc/05/41/09/1074054109.db2.gz NAUWBXQZFQTDSU-LBPRGKRZSA-N 2 0 376.417 -1.150 20 0 GAADRP CCOC(=O)C1=C(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C[NH2+]C1 ZINC001220828488 1074054036 /nfs/dbraw/zinc/05/40/36/1074054036.db2.gz OETVCDMQSOSLFZ-ZFWWWQNUSA-N 3 0 381.477 -1.030 20 0 GAADRP CCOC(=O)C1=C(NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])C[NH2+]C1 ZINC001220830037 1074053844 /nfs/dbraw/zinc/05/38/44/1074053844.db2.gz LFKFZRZONMFTNS-GWCFXTLKSA-N 2 0 381.433 -2.023 20 0 GAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)n1cc(Br)ccc1=NCC[NH3+] ZINC001220869808 1074054437 /nfs/dbraw/zinc/05/44/37/1074054437.db2.gz DHLOIVBZFUTSBA-UHFFFAOYSA-N 2 0 394.295 -1.030 20 0 GAADRP O=C(CNC(=O)[C@@H]1COC2(C[NH2+]C2)CN1)N1CC[NH+](C2CCCCC2)CC1 ZINC001220898859 1074055091 /nfs/dbraw/zinc/05/50/91/1074055091.db2.gz ZJMGSALXEUKQFP-INIZCTEOSA-N 2 0 379.505 -1.090 20 0 GAADRP O=C(CNC(=O)[C@H]1COC2(C[NH2+]C2)CN1)N1CC[NH+](C2CCCCC2)CC1 ZINC001220898860 1074054824 /nfs/dbraw/zinc/05/48/24/1074054824.db2.gz ZJMGSALXEUKQFP-MRXNPFEDSA-N 2 0 379.505 -1.090 20 0 GAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001220900190 1074054758 /nfs/dbraw/zinc/05/47/58/1074054758.db2.gz CULBTWWJQSDRPA-ZFWWWQNUSA-N 2 0 383.493 -1.596 20 0 GAADRP [NH3+]CCN(CCNC(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F)N(O)N=O ZINC001220902832 1074054988 /nfs/dbraw/zinc/05/49/88/1074054988.db2.gz BQRRCPVCRQVPDI-VIFPVBQESA-N 2 0 387.363 -1.173 20 0 GAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001220903586 1074054872 /nfs/dbraw/zinc/05/48/72/1074054872.db2.gz XIHOBTOYUCZVLX-STQMWFEESA-N 3 0 388.473 -1.902 20 0 GAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001220903710 1074054804 /nfs/dbraw/zinc/05/48/04/1074054804.db2.gz YLQXMXODCVRFNH-QWRGUYRKSA-N 2 0 388.429 -2.895 20 0 GAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC1CC[NH+](CC(=O)C(C)(C)C)CC1 ZINC001220909263 1074055027 /nfs/dbraw/zinc/05/50/27/1074055027.db2.gz QDEBVIYNPPYMLZ-AAEUAGOBSA-N 2 0 383.493 -1.110 20 0 GAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001220918750 1074055051 /nfs/dbraw/zinc/05/50/51/1074055051.db2.gz FJPUXEXCTKUNRQ-CYBMUJFWSA-N 2 0 396.492 -2.183 20 0 GAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N(C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001220930343 1074055652 /nfs/dbraw/zinc/05/56/52/1074055652.db2.gz OOTAVOYSAPAEOJ-HAQNSBGRSA-N 2 0 398.464 -3.209 20 0 GAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N(C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001220930663 1074055661 /nfs/dbraw/zinc/05/56/61/1074055661.db2.gz SUVFFWKDHOUGJO-YXWQFLTLSA-N 2 0 395.504 -1.062 20 0 GAADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220937695 1074055686 /nfs/dbraw/zinc/05/56/86/1074055686.db2.gz XSRYMCKOTNQWEL-JYJNAYRXSA-N 2 0 397.520 -1.120 20 0 GAADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220937696 1074055479 /nfs/dbraw/zinc/05/54/79/1074055479.db2.gz XSRYMCKOTNQWEL-PMPSAXMXSA-N 2 0 397.520 -1.120 20 0 GAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N(c1ccncn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001220941811 1074055260 /nfs/dbraw/zinc/05/52/60/1074055260.db2.gz ZQYBLPQVZWLLON-CYDGBPFRSA-N 2 0 377.449 -1.213 20 0 GAADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)n1cc(C[NH3+])cnc1=N ZINC001220950740 1074055357 /nfs/dbraw/zinc/05/53/57/1074055357.db2.gz FBGPFRIFVOGSPD-KBPBESRZSA-N 2 0 391.476 -1.139 20 0 GAADRP Cc1cn([C@H]2C[C@H](NC(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220966809 1074056153 /nfs/dbraw/zinc/05/61/53/1074056153.db2.gz HALIAXPGHWVGOT-WUHRBBMRSA-N 2 0 379.417 -2.169 20 0 GAADRP Cc1cn([C@H]2C[C@H](NC(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220966810 1074055974 /nfs/dbraw/zinc/05/59/74/1074055974.db2.gz HALIAXPGHWVGOT-YVECIDJPSA-N 2 0 379.417 -2.169 20 0 GAADRP Cc1cn([C@H]2C[C@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220966849 1074055884 /nfs/dbraw/zinc/05/58/84/1074055884.db2.gz IJOUPUKWKDCEJB-NNYUYHANSA-N 2 0 387.462 -1.959 20 0 GAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO ZINC001220966987 1074055894 /nfs/dbraw/zinc/05/58/94/1074055894.db2.gz NREIYUNQAPSVPD-IGQOVBAYSA-N 2 0 383.449 -1.261 20 0 GAADRP Cc1cn([C@H]2C[C@H](NC(=O)C[C@@H]([NH3+])CCCC[NH3+])[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220967204 1074056724 /nfs/dbraw/zinc/05/67/24/1074056724.db2.gz VNKCHNVMKGKIPF-RMRHIDDWSA-N 2 0 383.449 -1.132 20 0 GAADRP Cc1cn([C@H]2C[C@H](NC(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220967226 1074056731 /nfs/dbraw/zinc/05/67/31/1074056731.db2.gz WMAMAMMJTMTQFN-XYLOAFBBSA-N 2 0 393.444 -1.779 20 0 GAADRP Cc1cn([C@H]2C[C@H](NC(=O)[C@@H]([NH3+])C3CC[NH2+]CC3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220967227 1074056441 /nfs/dbraw/zinc/05/64/41/1074056441.db2.gz WMSACHDGBRFTIP-DGAVXFQQSA-N 2 0 381.433 -1.651 20 0 GAADRP Cc1cn([C@H]2C[C@H](NC(=O)[C@H]([NH3+])C3CC[NH2+]CC3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220967228 1074056713 /nfs/dbraw/zinc/05/67/13/1074056713.db2.gz WMSACHDGBRFTIP-REWJHTLYSA-N 2 0 381.433 -1.651 20 0 GAADRP [NH3+]C1(C(=O)NCc2ccccc2)CCN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001220969029 1074056667 /nfs/dbraw/zinc/05/66/67/1074056667.db2.gz LSYNUUSNSAZPGV-INIZCTEOSA-N 2 0 387.484 -1.047 20 0 GAADRP [NH3+]C1(C(=O)NCc2ccccc2)CCN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001220969030 1074056482 /nfs/dbraw/zinc/05/64/82/1074056482.db2.gz LSYNUUSNSAZPGV-MRXNPFEDSA-N 2 0 387.484 -1.047 20 0 GAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCC([NH3+])(C(=O)NCc2ccccc2)CC1 ZINC001220971028 1074056566 /nfs/dbraw/zinc/05/65/66/1074056566.db2.gz PZXZPXZKMYNJSY-ZFWWWQNUSA-N 2 0 391.472 -1.553 20 0 GAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC([NH3+])(CC2CCC2)CC1 ZINC001220972937 1074056519 /nfs/dbraw/zinc/05/65/19/1074056519.db2.gz OUUMABJMEFVSNG-UHFFFAOYSA-N 2 0 396.492 -2.196 20 0 GAADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)CN(CC[NH3+])S(C)(=O)=O)CC1 ZINC001221006301 1074057193 /nfs/dbraw/zinc/05/71/93/1074057193.db2.gz DMQIGZRFSMGPSJ-JOCQHMNTSA-N 2 0 377.511 -1.688 20 0 GAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1 ZINC001221006752 1074057089 /nfs/dbraw/zinc/05/70/89/1074057089.db2.gz MDYFDRBAHMTLFZ-CYDGBPFRSA-N 2 0 384.481 -2.201 20 0 GAADRP COC(=O)CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])C(N)=O ZINC001221019374 1074056939 /nfs/dbraw/zinc/05/69/39/1074056939.db2.gz VFENEPLVOHKAAH-AVGNSLFASA-N 2 0 385.465 -1.643 20 0 GAADRP [NH3+]CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c1ccc(F)cc1 ZINC001221060582 1074057644 /nfs/dbraw/zinc/05/76/44/1074057644.db2.gz GFRYMKAJXSYWRV-UHFFFAOYSA-N 2 0 382.396 -2.575 20 0 GAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCC1(c2ccccn2)CC[NH2+]CC1 ZINC001221116235 1074057600 /nfs/dbraw/zinc/05/76/00/1074057600.db2.gz RHTCLIYFSVTEFM-STQMWFEESA-N 2 0 376.461 -1.474 20 0 GAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)NCC1(c2ccccn2)CC[NH2+]CC1)C(N)=O ZINC001221116354 1074057635 /nfs/dbraw/zinc/05/76/35/1074057635.db2.gz XFGNBOYGUNRWML-UONOGXRCSA-N 2 0 390.488 -1.084 20 0 GAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)NC1(c2cccnc2)CC[NH2+]CC1)C(N)=O ZINC001221123993 1074057557 /nfs/dbraw/zinc/05/75/57/1074057557.db2.gz RRDGFWJVTQWMHF-GXTWGEPZSA-N 2 0 376.461 -1.126 20 0 GAADRP COCCC1([NH3+])CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC1 ZINC001221134139 1074057624 /nfs/dbraw/zinc/05/76/24/1074057624.db2.gz MOBCGJDRCDAHIR-UHFFFAOYSA-N 2 0 386.453 -3.350 20 0 GAADRP COCCC1([NH3+])CCN(C(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])CC1 ZINC001221136546 1074057724 /nfs/dbraw/zinc/05/77/24/1074057724.db2.gz QKIDCTYDTQZDDU-KBPBESRZSA-N 2 0 383.493 -1.203 20 0 GAADRP O=C(NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001221148432 1074057607 /nfs/dbraw/zinc/05/76/07/1074057607.db2.gz AYOLWELLLJGNJH-HNNXBMFYSA-N 2 0 395.485 -1.737 20 0 GAADRP O=C(NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001221148433 1074057707 /nfs/dbraw/zinc/05/77/07/1074057707.db2.gz AYOLWELLLJGNJH-OAHLLOKOSA-N 2 0 395.485 -1.737 20 0 GAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001221148444 1074057566 /nfs/dbraw/zinc/05/75/66/1074057566.db2.gz BHHPKPQKCDXMFH-FZMZJTMJSA-N 2 0 399.473 -2.243 20 0 GAADRP O=C(NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001221148475 1074057499 /nfs/dbraw/zinc/05/74/99/1074057499.db2.gz CJGBDEXMDBCYFL-VBNZEHGJSA-N 2 0 379.486 -1.118 20 0 GAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001221148565 1074058208 /nfs/dbraw/zinc/05/82/08/1074058208.db2.gz GUVWSIMQALRGLE-AWEZNQCLSA-N 3 0 387.531 -1.048 20 0 GAADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001221148595 1074058194 /nfs/dbraw/zinc/05/81/94/1074058194.db2.gz IAHPPRWQCYILIA-CQSZACIVSA-N 2 0 398.489 -1.292 20 0 GAADRP O=C(NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001221148626 1074058044 /nfs/dbraw/zinc/05/80/44/1074058044.db2.gz IZHVQUABMNOUNQ-CXAGYDPISA-N 2 0 379.486 -1.116 20 0 GAADRP O=C(NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001221148627 1074058079 /nfs/dbraw/zinc/05/80/79/1074058079.db2.gz IZHVQUABMNOUNQ-DYVFJYSZSA-N 2 0 379.486 -1.116 20 0 GAADRP O=C(NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001221148628 1074058302 /nfs/dbraw/zinc/05/83/02/1074058302.db2.gz IZHVQUABMNOUNQ-GUYCJALGSA-N 2 0 379.486 -1.116 20 0 GAADRP O=C(NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001221148629 1074058173 /nfs/dbraw/zinc/05/81/73/1074058173.db2.gz IZHVQUABMNOUNQ-SUMWQHHRSA-N 2 0 379.486 -1.116 20 0 GAADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001221148648 1074058329 /nfs/dbraw/zinc/05/83/29/1074058329.db2.gz JRWOPMLBOARYLR-HNNXBMFYSA-N 2 0 395.485 -1.118 20 0 GAADRP CC(C)CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])[C@H]1CC[C@H]([NH3+])CC1 ZINC001221188114 1074058266 /nfs/dbraw/zinc/05/82/66/1074058266.db2.gz OJBQYHDWCPNDJX-HDJSIYSDSA-N 2 0 398.508 -1.952 20 0 GAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1Cc2ccccc2C[C@H]1C[NH3+] ZINC001221331036 1074059197 /nfs/dbraw/zinc/05/91/97/1074059197.db2.gz BPCSMXHGHZNPCL-AWEZNQCLSA-N 2 0 390.444 -2.794 20 0 GAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCCN1CCCS1(=O)=O ZINC001221338029 1074059791 /nfs/dbraw/zinc/05/97/91/1074059791.db2.gz VTKPBQIUTBGBOF-KBPBESRZSA-N 2 0 389.522 -1.415 20 0 GAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCCCC[NH3+])C(=O)CF ZINC001221346985 1074059733 /nfs/dbraw/zinc/05/97/33/1074059733.db2.gz CISQSIADLOIWQF-HUBLWGQQSA-N 2 0 389.472 -1.257 20 0 GAADRP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001221348121 1074059890 /nfs/dbraw/zinc/05/98/90/1074059890.db2.gz GJHVLHOWBRHJKX-AVGNSLFASA-N 2 0 397.505 -2.068 20 0 GAADRP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001221348506 1074060099 /nfs/dbraw/zinc/06/00/99/1074060099.db2.gz KMVBIPSFANPVQJ-KKUMJFAQSA-N 2 0 391.476 -1.760 20 0 GAADRP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001221348510 1074060130 /nfs/dbraw/zinc/06/01/30/1074060130.db2.gz KMVBIPSFANPVQJ-SOUVJXGZSA-N 2 0 391.476 -1.760 20 0 GAADRP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001221348861 1074060541 /nfs/dbraw/zinc/06/05/41/1074060541.db2.gz OTKKCTDDLWQRDI-IHRRRGAJSA-N 2 0 379.465 -1.630 20 0 GAADRP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001221348906 1074060436 /nfs/dbraw/zinc/06/04/36/1074060436.db2.gz PYPQEBOFGWWUPE-QEJZJMRPSA-N 2 0 393.492 -1.240 20 0 GAADRP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221349339 1074060398 /nfs/dbraw/zinc/06/03/98/1074060398.db2.gz WAMQPNKQRZQWDC-IHRRRGAJSA-N 2 0 389.460 -2.278 20 0 GAADRP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221349340 1074060515 /nfs/dbraw/zinc/06/05/15/1074060515.db2.gz WAMQPNKQRZQWDC-RDBSUJKOSA-N 2 0 389.460 -2.278 20 0 GAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221349417 1074060587 /nfs/dbraw/zinc/06/05/87/1074060587.db2.gz XAOFQHNJPHYFOP-KKUMJFAQSA-N 2 0 393.492 -1.370 20 0 GAADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001221392673 1074061632 /nfs/dbraw/zinc/06/16/32/1074061632.db2.gz YZBXAHLGMVOVIR-STQMWFEESA-N 3 0 383.497 -1.495 20 0 GAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCC(C2=CC=C(N)C[NH2+]2)CC1)C(N)=O ZINC001221392850 1074061543 /nfs/dbraw/zinc/06/15/43/1074061543.db2.gz ODIJFUHHHAGBHV-XHDPSFHLSA-N 2 0 378.477 -1.348 20 0 GAADRP CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC1 ZINC001221394505 1074061570 /nfs/dbraw/zinc/06/15/70/1074061570.db2.gz BRUQUBMRADPBTD-OKILXGFUSA-N 2 0 398.508 -1.937 20 0 GAADRP CC(C)[N@@H+]1CC[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])[C@H](C)C1 ZINC001221406574 1074061515 /nfs/dbraw/zinc/06/15/15/1074061515.db2.gz GXVTWROWLZXZKT-CHWSQXEVSA-N 2 0 384.481 -2.471 20 0 GAADRP CC(C)[N@@H+]1CC[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])[C@H](C)C1 ZINC001221406575 1074061490 /nfs/dbraw/zinc/06/14/90/1074061490.db2.gz GXVTWROWLZXZKT-OLZOCXBDSA-N 2 0 384.481 -2.471 20 0 GAADRP CC(C)[N@@H+]1CC[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])[C@@H](C)C1 ZINC001221406576 1074061648 /nfs/dbraw/zinc/06/16/48/1074061648.db2.gz GXVTWROWLZXZKT-QWHCGFSZSA-N 2 0 384.481 -2.471 20 0 GAADRP CC(C)[N@@H+]1CC[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])[C@@H](C)C1 ZINC001221406577 1074061611 /nfs/dbraw/zinc/06/16/11/1074061611.db2.gz GXVTWROWLZXZKT-STQMWFEESA-N 2 0 384.481 -2.471 20 0 GAADRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](Cc3cn(C)c(=O)n(C)c3=O)CC[C@@H]2C1 ZINC001231768018 1074077194 /nfs/dbraw/zinc/07/71/94/1074077194.db2.gz OIDAOVPEBVAEAL-GDBMZVCRSA-N 2 0 393.488 -1.305 20 0 GAADRP COc1ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cc1S(N)(=O)=O ZINC001236311240 1074085539 /nfs/dbraw/zinc/08/55/39/1074085539.db2.gz GPPJKEBFXHDYBO-UHFFFAOYSA-N 2 0 387.506 -1.042 20 0 GAADRP [NH3+]CCOCCOCCOCCOCCNS(=O)(=O)CC1CC[NH2+]CC1 ZINC001238468564 1074092065 /nfs/dbraw/zinc/09/20/65/1074092065.db2.gz MKFNXIMLWZUGKF-UHFFFAOYSA-N 2 0 397.538 -1.070 20 0 GAADRP [NH3+]CCOCCOCCOCCOCCNS(=O)(=O)C1CC[NH2+]CC1 ZINC001238469311 1074091956 /nfs/dbraw/zinc/09/19/56/1074091956.db2.gz WFLFQUGPLDIXMM-UHFFFAOYSA-N 2 0 383.511 -1.317 20 0 GAADRP [NH3+]CCOCCOCCOCCOCCOCCNS(=O)(=O)CC[NH3+] ZINC001238596549 1074092114 /nfs/dbraw/zinc/09/21/14/1074092114.db2.gz WNZMKEHFRKDFHD-UHFFFAOYSA-N 2 0 387.499 -2.094 20 0 GAADRP [NH3+]CCN(CC[NH3+])S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001239096111 1074093499 /nfs/dbraw/zinc/09/34/99/1074093499.db2.gz BAQHHQXVXGFXBZ-UHFFFAOYSA-N 2 0 392.503 -1.384 20 0 GAADRP [NH3+]CCS(=O)(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001239127582 1074093466 /nfs/dbraw/zinc/09/34/66/1074093466.db2.gz UVYUDPYZWAQGOT-STQMWFEESA-N 2 0 395.476 -1.509 20 0 GAADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC001239130422 1074093543 /nfs/dbraw/zinc/09/35/43/1074093543.db2.gz BGSLUWVLHHSISQ-UHFFFAOYSA-N 2 0 399.473 -1.178 20 0 GAADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC001239130802 1074093550 /nfs/dbraw/zinc/09/35/50/1074093550.db2.gz GCRGWVSOUVDJPM-UHFFFAOYSA-N 2 0 396.477 -1.329 20 0 GAADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC001239130994 1074093444 /nfs/dbraw/zinc/09/34/44/1074093444.db2.gz IWLMSQJTQYWHEV-UHFFFAOYSA-N 2 0 383.474 -1.014 20 0 GAADRP COC(=O)c1cncc(S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])c1 ZINC001239131399 1074093455 /nfs/dbraw/zinc/09/34/55/1074093455.db2.gz OLNIMBXYSZGHAU-UHFFFAOYSA-N 2 0 387.462 -1.327 20 0 GAADRP CNC(=O)c1ccc(S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])cc1 ZINC001239131565 1074093531 /nfs/dbraw/zinc/09/35/31/1074093531.db2.gz RAVSFDZYZUTUNY-UHFFFAOYSA-N 2 0 385.490 -1.149 20 0 GAADRP CC(=O)Nc1ncc(S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])s1 ZINC001239131729 1074093435 /nfs/dbraw/zinc/09/34/35/1074093435.db2.gz UKHIMTRVFYYBEJ-UHFFFAOYSA-N 2 0 392.507 -1.094 20 0 GAADRP [NH3+]CCNC(=S)NCCOCCOCCOCCOCCOCC[NH3+] ZINC001239375289 1074093575 /nfs/dbraw/zinc/09/35/75/1074093575.db2.gz FEHYPXAVESEXRT-UHFFFAOYSA-N 2 0 382.527 -1.549 20 0 GAADRP [NH3+]CCOCCOCCOCCOCC[NH2+]C[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001245990095 1074094330 /nfs/dbraw/zinc/09/43/30/1074094330.db2.gz OXHGRMMLCHGMFU-KRWDZBQOSA-N 3 0 393.525 -1.533 20 0 GAADRP [NH3+]CCOCCOCCOCCOCC[NH2+]C[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001245990106 1074094405 /nfs/dbraw/zinc/09/44/05/1074094405.db2.gz OXHGRMMLCHGMFU-QGZVFWFLSA-N 3 0 393.525 -1.533 20 0 GAADRP [NH3+]CCOCCOCCOCCOCCOCC[NH2+]C[C@@]1(O)CCC[NH2+]C1 ZINC001245993149 1074094212 /nfs/dbraw/zinc/09/42/12/1074094212.db2.gz LATBKAYBGJHFEW-GOSISDBHSA-N 3 0 393.525 -1.268 20 0 GAADRP [NH3+]CCOCCOCCOCCOCCOCC[NH2+]C[C@]1(O)CCC[NH2+]C1 ZINC001245993152 1074094416 /nfs/dbraw/zinc/09/44/16/1074094416.db2.gz LATBKAYBGJHFEW-SFHVURJKSA-N 3 0 393.525 -1.268 20 0 GAADRP [NH3+]CCOCCOCCOCCOCCOCC[NH2+]CC1(O)CC[NH2+]CC1 ZINC001245993563 1074094194 /nfs/dbraw/zinc/09/41/94/1074094194.db2.gz MHJQTCOJTQQKKV-UHFFFAOYSA-N 3 0 393.525 -1.268 20 0 GAADRP [NH3+]CCOCCOCCOCCOCCOCC[NH2+]C[C@]1(O)CC[NH2+]C1 ZINC001245997762 1074094441 /nfs/dbraw/zinc/09/44/41/1074094441.db2.gz ZDDQWWCKKQKINK-KRWDZBQOSA-N 3 0 379.498 -1.658 20 0 GAADRP [NH3+]CCOCCOCCOCCOCCOCC[NH2+]C[C@@]1(O)CC[NH2+]C1 ZINC001245997778 1074094313 /nfs/dbraw/zinc/09/43/13/1074094313.db2.gz ZDDQWWCKKQKINK-QGZVFWFLSA-N 3 0 379.498 -1.658 20 0 GAADRP O=C([C@@H]1C[C@H](N2CCN(C[C@@]3(O)CC[NH2+]C3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001246049787 1074095093 /nfs/dbraw/zinc/09/50/93/1074095093.db2.gz BNFQUYADCIMFPP-YQQAZPJKSA-N 2 0 387.475 -1.074 20 0 GAADRP O=C([C@@H]1C[C@H](N2CCN(C[C@]3(O)CC[NH2+]C3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001246049788 1074095205 /nfs/dbraw/zinc/09/52/05/1074095205.db2.gz BNFQUYADCIMFPP-ZOBUZTSGSA-N 2 0 387.475 -1.074 20 0 GAADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCOCCOCCOCCOCC[NH3+])CN1 ZINC001246211237 1074095704 /nfs/dbraw/zinc/09/57/04/1074095704.db2.gz NDNLDEUFKVQIGH-CVEARBPZSA-N 2 0 377.482 -1.105 20 0 GAADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CCOCCOCCOCCOCC[NH3+])CN1 ZINC001246211238 1074095609 /nfs/dbraw/zinc/09/56/09/1074095609.db2.gz NDNLDEUFKVQIGH-HOTGVXAUSA-N 2 0 377.482 -1.105 20 0 GAADRP COC(=O)[C@@H]1C[C@H]([NH2+]CCOCCOCCOCCOCC[NH3+])CCN1 ZINC001246217077 1074095727 /nfs/dbraw/zinc/09/57/27/1074095727.db2.gz PPAIOUHLGFXXMR-CVEARBPZSA-N 2 0 377.482 -1.105 20 0 GAADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CCOCCOCCOCCOCC[NH3+])CCN1 ZINC001246217079 1074095626 /nfs/dbraw/zinc/09/56/26/1074095626.db2.gz PPAIOUHLGFXXMR-HOTGVXAUSA-N 2 0 377.482 -1.105 20 0 GAADRP [NH3+]CCOCCOCCOCCOCCOCC[NH2+][C@H]1CCNC(=O)C1 ZINC001246275276 1074095548 /nfs/dbraw/zinc/09/55/48/1074095548.db2.gz QSMUIZXXHIGYOW-INIZCTEOSA-N 2 0 377.482 -1.104 20 0 GAADRP [NH3+]CCOCCOCCOCCOCCOCC[NH2+][C@@H]1CCNC(=O)C1 ZINC001246275277 1074096200 /nfs/dbraw/zinc/09/62/00/1074096200.db2.gz QSMUIZXXHIGYOW-MRXNPFEDSA-N 2 0 377.482 -1.104 20 0 GAADRP [NH3+]CCOCCOCCOCCN[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246287070 1074096233 /nfs/dbraw/zinc/09/62/33/1074096233.db2.gz INTOGHFINRYHIK-CABCVRRESA-N 2 0 376.523 -1.152 20 0 GAADRP [NH3+]CCOCCOCCOCCN[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246287073 1074096040 /nfs/dbraw/zinc/09/60/40/1074096040.db2.gz INTOGHFINRYHIK-GJZGRUSLSA-N 2 0 376.523 -1.152 20 0 GAADRP NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1cncn1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246479561 1074096609 /nfs/dbraw/zinc/09/66/09/1074096609.db2.gz CFNQAISPKNKUPE-QEJZJMRPSA-N 2 0 375.477 -1.504 20 0 GAADRP NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1cncn1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246479618 1074096557 /nfs/dbraw/zinc/09/65/57/1074096557.db2.gz CFNQAISPKNKUPE-SNPRPXQTSA-N 2 0 375.477 -1.504 20 0 GAADRP COC(=O)[C@H](CCCC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)NC(=O)CNC(C)=O ZINC001246517346 1074097079 /nfs/dbraw/zinc/09/70/79/1074097079.db2.gz BQTYGIXAJMUGFN-CABCVRRESA-N 2 0 383.493 -1.366 20 0 GAADRP COC(=O)[C@H](CCCC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1)NC(=O)CNC(C)=O ZINC001246517357 1074096793 /nfs/dbraw/zinc/09/67/93/1074096793.db2.gz BQTYGIXAJMUGFN-GJZGRUSLSA-N 2 0 383.493 -1.366 20 0 GAADRP COCC(=O)NCc1cc(=O)n2c(n1)C[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CCC2 ZINC001246708824 1074097906 /nfs/dbraw/zinc/09/79/06/1074097906.db2.gz SZRITCWRJULVFQ-HNNXBMFYSA-N 2 0 390.488 -1.194 20 0 GAADRP COCC(=O)NCc1cc(=O)n2c(n1)C[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CCC2 ZINC001246708825 1074097742 /nfs/dbraw/zinc/09/77/42/1074097742.db2.gz SZRITCWRJULVFQ-OAHLLOKOSA-N 2 0 390.488 -1.194 20 0 GAADRP CN(C)C(=O)CN1C[C@H]2CC[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC[C@H]2S1(=O)=O ZINC001246757659 1074098511 /nfs/dbraw/zinc/09/85/11/1074098511.db2.gz CZYKBRWANJSVEV-BZUAXINKSA-N 2 0 399.561 -1.105 20 0 GAADRP CN(C)C(=O)CN1C[C@H]2CC[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)CC[C@H]2S1(=O)=O ZINC001246757663 1074098493 /nfs/dbraw/zinc/09/84/93/1074098493.db2.gz CZYKBRWANJSVEV-OWCLPIDISA-N 2 0 399.561 -1.105 20 0 GAADRP COC(=O)CCS(=O)(=O)CC[C@H](C)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246822558 1074099022 /nfs/dbraw/zinc/09/90/22/1074099022.db2.gz RVMVHBGLCZRPPA-HNNXBMFYSA-N 2 0 378.539 -1.173 20 0 GAADRP COC(=O)CCS(=O)(=O)CC[C@@H](C)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246822581 1074098869 /nfs/dbraw/zinc/09/88/69/1074098869.db2.gz RVMVHBGLCZRPPA-OAHLLOKOSA-N 2 0 378.539 -1.173 20 0 GAADRP COC(=O)CCS(=O)(=O)CC[C@H](C)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246926849 1074099007 /nfs/dbraw/zinc/09/90/07/1074099007.db2.gz WEYYLNHWDKMVBM-AWEZNQCLSA-N 2 0 394.538 -1.141 20 0 GAADRP COC(=O)CCS(=O)(=O)CC[C@@H](C)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246926851 1074099015 /nfs/dbraw/zinc/09/90/15/1074099015.db2.gz WEYYLNHWDKMVBM-CQSZACIVSA-N 2 0 394.538 -1.141 20 0 GAADRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](C[C@@H](O)CN3CCOCC3)CC[C@@H]2C1 ZINC001251015395 1074105479 /nfs/dbraw/zinc/10/54/79/1074105479.db2.gz RZHKJPRPVHVRLG-FGTMMUONSA-N 2 0 384.521 -1.210 20 0 GAADRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](C[C@H](O)CN3CCOCC3)CC[C@@H]2C1 ZINC001251015402 1074105179 /nfs/dbraw/zinc/10/51/79/1074105179.db2.gz RZHKJPRPVHVRLG-KZNAEPCWSA-N 2 0 384.521 -1.210 20 0 GAADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](C[C@@H](O)CN1CCOCC1)CC2 ZINC001251017294 1074105287 /nfs/dbraw/zinc/10/52/87/1074105287.db2.gz QRCNAULZRPWCTD-GOSISDBHSA-N 2 0 397.564 -1.150 20 0 GAADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](C[C@H](O)CN1CCOCC1)CC2 ZINC001251017295 1074105228 /nfs/dbraw/zinc/10/52/28/1074105228.db2.gz QRCNAULZRPWCTD-SFHVURJKSA-N 2 0 397.564 -1.150 20 0 GAADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21 ZINC001253029016 1074120706 /nfs/dbraw/zinc/12/07/06/1074120706.db2.gz XRKIIUAGGMBOAQ-RLFYNMQTSA-N 2 0 383.493 -1.149 20 0 GAADRP NC(=O)CNC(=O)CNC(=O)C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254055622 1074130600 /nfs/dbraw/zinc/13/06/00/1074130600.db2.gz WMTIVEWVQDVQTH-UHFFFAOYSA-N 2 0 391.472 -1.679 20 0 GAADRP Cn1cnc2c1c(=O)n(Cc1cn(CCCC[NH2+]CCC[NH3+])nn1)c(=O)n2C ZINC001254163268 1074139064 /nfs/dbraw/zinc/13/90/64/1074139064.db2.gz PVFBWXDTZBFCMU-UHFFFAOYSA-N 2 0 389.464 -1.208 20 0 GAADRP [NH3+]CCOCCOCCOCCOCCOCC[NH2+][C@H]1CCS(=O)(=O)C1 ZINC001254320775 1074140163 /nfs/dbraw/zinc/14/01/63/1074140163.db2.gz QROGRKXTROAANJ-INIZCTEOSA-N 2 0 398.522 -1.195 20 0 GAADRP [NH3+]CCOCCOCCOCCOCCOCC[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC001254320776 1074140273 /nfs/dbraw/zinc/14/02/73/1074140273.db2.gz QROGRKXTROAANJ-MRXNPFEDSA-N 2 0 398.522 -1.195 20 0 GAADRP C[N@@H+]1CCC[C@@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)CC1 ZINC001254504292 1074143210 /nfs/dbraw/zinc/14/32/10/1074143210.db2.gz SWGUAKDCEDSNFP-QTKMUVPMSA-N 2 0 393.448 -1.590 20 0 GAADRP C[N@@H+]1CCC[C@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)CC1 ZINC001254504297 1074143147 /nfs/dbraw/zinc/14/31/47/1074143147.db2.gz SWGUAKDCEDSNFP-YXUMDAIYSA-N 2 0 393.448 -1.590 20 0 GAADRP C[N@@H+]1CCC[C@@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)C1 ZINC001255470403 1074150926 /nfs/dbraw/zinc/15/09/26/1074150926.db2.gz NJBBOYYNVXPZGU-QCYOOCKDSA-N 2 0 379.421 -1.980 20 0 GAADRP C[N@@H+]1CCC[C@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)C1 ZINC001255470415 1074150897 /nfs/dbraw/zinc/15/08/97/1074150897.db2.gz NJBBOYYNVXPZGU-WLBJOZJFSA-N 2 0 379.421 -1.980 20 0 GAADRP C[NH+]1CCC(n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)CC1 ZINC001256195379 1074156136 /nfs/dbraw/zinc/15/61/36/1074156136.db2.gz QDDDFLYTDPRAPH-NDLNZWKESA-N 2 0 379.421 -1.980 20 0 GAADRP NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)C[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256688093 1074159361 /nfs/dbraw/zinc/15/93/61/1074159361.db2.gz PKNVSCSKMKRWMP-GPANFISMSA-N 2 0 395.504 -1.188 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC001257128846 1074164386 /nfs/dbraw/zinc/16/43/86/1074164386.db2.gz ZEJLAVLADMJDIW-UHFFFAOYSA-N 2 0 391.538 -1.522 20 0 GAADRP CC[C@H](C)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001257436631 1074169032 /nfs/dbraw/zinc/16/90/32/1074169032.db2.gz SMJGGLKHBLVTHB-QEJZJMRPSA-N 2 0 395.508 -1.061 20 0 GAADRP CC[C@@H](C)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001257436632 1074168927 /nfs/dbraw/zinc/16/89/27/1074168927.db2.gz SMJGGLKHBLVTHB-SNPRPXQTSA-N 2 0 395.508 -1.061 20 0 GAADRP CN(C)C(=O)CN1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC001261320929 1074216883 /nfs/dbraw/zinc/21/68/83/1074216883.db2.gz PCUQRSAEBNAUOB-UHFFFAOYSA-N 2 0 384.525 -1.829 20 0 GAADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCC([N@H+](C)CCCO)CC3)C[C@H]2[NH3+])cn1 ZINC001261435362 1074220486 /nfs/dbraw/zinc/22/04/86/1074220486.db2.gz RTWHHWNTIZNYLL-DLBZAZTESA-N 2 0 392.504 -1.022 20 0 GAADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)cn1 ZINC001261817610 1074249403 /nfs/dbraw/zinc/24/94/03/1074249403.db2.gz VVXVKMGLVDUHCH-AWEZNQCLSA-N 2 0 391.476 -1.100 20 0 GAADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)cn1 ZINC001261817611 1074249297 /nfs/dbraw/zinc/24/92/97/1074249297.db2.gz VVXVKMGLVDUHCH-CQSZACIVSA-N 2 0 391.476 -1.100 20 0 GAADRP COC(=O)[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C[C@H](C)O1 ZINC001261867102 1074254402 /nfs/dbraw/zinc/25/44/02/1074254402.db2.gz XCNVGPVKHGFDDH-JJXSEGSLSA-N 2 0 398.504 -1.027 20 0 GAADRP C[C@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCS1(=O)=O ZINC001261868395 1074254371 /nfs/dbraw/zinc/25/43/71/1074254371.db2.gz JNJVSAYDGXZEFF-RRFJBIMHSA-N 2 0 388.534 -1.170 20 0 GAADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC(CO)(CO)CC2)C[C@H]1C[NH+](C)C ZINC001261900743 1074255738 /nfs/dbraw/zinc/25/57/38/1074255738.db2.gz GDCBNJCZLLKOIB-HZPDHXFCSA-N 2 0 384.521 -1.222 20 0 GAADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCc2nc3ncccn3n2)C[C@H]1C[NH+](C)C ZINC001261976462 1074256951 /nfs/dbraw/zinc/25/69/51/1074256951.db2.gz OXKQVSKFVQKNBO-ZIAGYGMSSA-N 2 0 388.476 -1.062 20 0 GAADRP COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001261995797 1074257494 /nfs/dbraw/zinc/25/74/94/1074257494.db2.gz VEIYDWMWQYTSIY-KLHDSHLOSA-N 2 0 398.504 -1.122 20 0 GAADRP O=C(NCCS(=O)(=O)CCNC(=O)C12CC[NH+](CC1)C2)C12CC[NH+](CC1)C2 ZINC001262172974 1074258790 /nfs/dbraw/zinc/25/87/90/1074258790.db2.gz PVISQJXPKQWMBD-UHFFFAOYSA-N 2 0 398.529 -1.175 20 0 GAADRP CN1CC[NH+](CC2CCN(C(=O)C(=O)N3CCC[C@@]([NH3+])(CO)C3)CC2)CC1 ZINC001262203269 1074258835 /nfs/dbraw/zinc/25/88/35/1074258835.db2.gz PVNZVRWORPAAGV-IBGZPJMESA-N 2 0 381.521 -1.215 20 0 GAADRP CN1CC[NH+](CC2CCN(C(=O)C(=O)N3CCC[C@]([NH3+])(CO)C3)CC2)CC1 ZINC001262203270 1074258772 /nfs/dbraw/zinc/25/87/72/1074258772.db2.gz PVNZVRWORPAAGV-LJQANCHMSA-N 2 0 381.521 -1.215 20 0 GAADRP [NH3+]C[C@]12CC[C@H]1CCN2C(=O)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001262542775 1074264708 /nfs/dbraw/zinc/26/47/08/1074264708.db2.gz ILQYDLJEGPEJGV-FRQCXROJSA-N 2 0 379.505 -1.151 20 0 GAADRP [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001262542776 1074264780 /nfs/dbraw/zinc/26/47/80/1074264780.db2.gz ILQYDLJEGPEJGV-GPMSIDNRSA-N 2 0 379.505 -1.151 20 0 GAADRP [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001262542777 1074264680 /nfs/dbraw/zinc/26/46/80/1074264680.db2.gz ILQYDLJEGPEJGV-JTDSTZFVSA-N 2 0 379.505 -1.151 20 0 GAADRP [NH3+]C[C@]12CC[C@H]1CCN2C(=O)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001262542778 1074264901 /nfs/dbraw/zinc/26/49/01/1074264901.db2.gz ILQYDLJEGPEJGV-TXPKVOOTSA-N 2 0 379.505 -1.151 20 0 GAADRP CN(CCNC(=O)C[NH+]1CCC(CO)CC1)C(=O)C[NH+]1CCC(CO)CC1 ZINC001262619946 1074264750 /nfs/dbraw/zinc/26/47/50/1074264750.db2.gz OGVPZTSPHQBRHC-UHFFFAOYSA-N 2 0 384.521 -1.030 20 0 GAADRP C[NH+](C)CCN1C[C@@]2(F)CN(C[C@@H](O)CN3CCOCC3)C[C@@]2(F)C1=O ZINC001277697366 1074079632 /nfs/dbraw/zinc/07/96/32/1074079632.db2.gz JXDSVQPYERPQIF-BHYGNILZSA-N 2 0 376.448 -1.185 20 0 GAADRP C[NH+](C)CCN1C[C@@]2(F)CN(C[C@H](O)CN3CCOCC3)C[C@@]2(F)C1=O ZINC001277697367 1074079711 /nfs/dbraw/zinc/07/97/11/1074079711.db2.gz JXDSVQPYERPQIF-HYVNUMGLSA-N 2 0 376.448 -1.185 20 0 GAADRP CN(C)S(=O)(=O)N1[C@H]2COC[C@@H]1CN(CCC[NH+]1CCN(C)CC1)C2 ZINC001280246376 1074299967 /nfs/dbraw/zinc/29/99/67/1074299967.db2.gz WZUITJOPVSCIJU-IYBDPMFKSA-N 2 0 375.539 -1.185 20 0 GAADRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)CC2CN(S(C)(=O)=O)C2)C[C@H]1C[NH+](C)C ZINC001309759064 1074371878 /nfs/dbraw/zinc/37/18/78/1074371878.db2.gz UUYHCOUCJOUYLO-HUUCEWRRSA-N 2 0 396.579 -1.121 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1nc(CS(C)(=O)=O)n[nH]1 ZINC001313346898 1074382787 /nfs/dbraw/zinc/38/27/87/1074382787.db2.gz WPGBZNRJJYNHRU-UHFFFAOYSA-N 2 0 375.499 -1.016 20 0 GAADRP C[NH+]1CCN(CCNC(=O)CCCC(=O)NCCN2CC[NH+](C)CC2)CC1 ZINC001318292708 1074395744 /nfs/dbraw/zinc/39/57/44/1074395744.db2.gz WKNWQPJGKXBHTO-UHFFFAOYSA-N 2 0 382.553 -1.116 20 0 GAADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)cn1 ZINC001319435584 1074425413 /nfs/dbraw/zinc/42/54/13/1074425413.db2.gz KWDWKCRULKHDTD-CYBMUJFWSA-N 2 0 379.465 -1.290 20 0 GAADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)cn1 ZINC001319435598 1074425392 /nfs/dbraw/zinc/42/53/92/1074425392.db2.gz KWDWKCRULKHDTD-ZDUSSCGKSA-N 2 0 379.465 -1.290 20 0 GAADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCC2CC[NH+](C)CC2)cn1 ZINC001319811568 1074435305 /nfs/dbraw/zinc/43/53/05/1074435305.db2.gz IZVHSXDXYHJDIL-UHFFFAOYSA-N 2 0 393.492 -1.043 20 0 GAADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)cn1 ZINC001319960305 1074439798 /nfs/dbraw/zinc/43/97/98/1074439798.db2.gz QCFWDULISMTWSY-AWEZNQCLSA-N 2 0 393.492 -1.091 20 0 GAADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)cn1 ZINC001319960306 1074439737 /nfs/dbraw/zinc/43/97/37/1074439737.db2.gz QCFWDULISMTWSY-CQSZACIVSA-N 2 0 393.492 -1.091 20 0 GAADRP O=C(Cn1nc(C(=O)NCC[NH+]2CC=CC2)ccc1=O)NCC[NH+]1CC=CC1 ZINC001320592879 1074455177 /nfs/dbraw/zinc/45/51/77/1074455177.db2.gz XBHMCXCWHUGBPY-UHFFFAOYSA-N 2 0 386.456 -1.167 20 0 GAADRP CN(C)C(=O)Cn1cnc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC001320896331 1074465283 /nfs/dbraw/zinc/46/52/83/1074465283.db2.gz WWDUPTRQSQMMJI-UHFFFAOYSA-N 2 0 382.469 -1.743 20 0 GAADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC001321994312 1074510396 /nfs/dbraw/zinc/51/03/96/1074510396.db2.gz DZSRUAVBHAYMFX-CABCVRRESA-N 2 0 382.509 -1.948 20 0 GAADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC001321994318 1074510450 /nfs/dbraw/zinc/51/04/50/1074510450.db2.gz DZSRUAVBHAYMFX-GJZGRUSLSA-N 2 0 382.509 -1.948 20 0 GAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC001321994320 1074510585 /nfs/dbraw/zinc/51/05/85/1074510585.db2.gz DZSRUAVBHAYMFX-HUUCEWRRSA-N 2 0 382.509 -1.948 20 0 GAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC001321994321 1074510519 /nfs/dbraw/zinc/51/05/19/1074510519.db2.gz DZSRUAVBHAYMFX-LSDHHAIUSA-N 2 0 382.509 -1.948 20 0 GAADRP Cn1nnc(CNC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC001322047974 1074514812 /nfs/dbraw/zinc/51/48/12/1074514812.db2.gz XVPUXLSYCJQSOU-UHFFFAOYSA-N 2 0 387.448 -1.450 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC1CC(NS(C)(=O)=O)C1 ZINC001322528008 1074531437 /nfs/dbraw/zinc/53/14/37/1074531437.db2.gz ILLGNYUDWORMSP-UHFFFAOYSA-N 2 0 377.511 -1.865 20 0 GAADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC001322826010 1074555302 /nfs/dbraw/zinc/55/53/02/1074555302.db2.gz NCZNGISTPIFOEM-DLBZAZTESA-N 2 0 381.521 -1.081 20 0 GAADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC001322826013 1074555397 /nfs/dbraw/zinc/55/53/97/1074555397.db2.gz NCZNGISTPIFOEM-IAGOWNOFSA-N 2 0 381.521 -1.081 20 0 GAADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC001322826014 1074555412 /nfs/dbraw/zinc/55/54/12/1074555412.db2.gz NCZNGISTPIFOEM-IRXDYDNUSA-N 2 0 381.521 -1.081 20 0 GAADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC001322826016 1074555354 /nfs/dbraw/zinc/55/53/54/1074555354.db2.gz NCZNGISTPIFOEM-SJORKVTESA-N 2 0 381.521 -1.081 20 0 GAADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001323404136 1074587139 /nfs/dbraw/zinc/58/71/39/1074587139.db2.gz RVAKEPIYNLUBIV-FGTMMUONSA-N 2 0 394.564 -1.167 20 0 GAADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001323404144 1074587162 /nfs/dbraw/zinc/58/71/62/1074587162.db2.gz RVAKEPIYNLUBIV-KURKYZTESA-N 2 0 394.564 -1.167 20 0 GAADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001323404152 1074587087 /nfs/dbraw/zinc/58/70/87/1074587087.db2.gz RVAKEPIYNLUBIV-KZNAEPCWSA-N 2 0 394.564 -1.167 20 0 GAADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001323404160 1074587063 /nfs/dbraw/zinc/58/70/63/1074587063.db2.gz RVAKEPIYNLUBIV-SQNIBIBYSA-N 2 0 394.564 -1.167 20 0 GAADRP COc1nc(N2CCC([NH2+]CCO)CC2)nc(N2CCC([NH2+]CCO)CC2)n1 ZINC001323960777 1074624642 /nfs/dbraw/zinc/62/46/42/1074624642.db2.gz USKYUVBDIIIADB-UHFFFAOYSA-N 2 0 395.508 -1.018 20 0 GAADRP C[C@H](CNC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)S(N)(=O)=O ZINC001324336665 1074643426 /nfs/dbraw/zinc/64/34/26/1074643426.db2.gz TWATVBSBLOYAMQ-GFCCVEGCSA-N 2 0 377.511 -1.736 20 0 GAADRP C[C@@H](CNC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)S(N)(=O)=O ZINC001324336668 1074643357 /nfs/dbraw/zinc/64/33/57/1074643357.db2.gz TWATVBSBLOYAMQ-LBPRGKRZSA-N 2 0 377.511 -1.736 20 0 GAADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC001324418592 1074650162 /nfs/dbraw/zinc/65/01/62/1074650162.db2.gz AFIOUBLEICNIOP-INIZCTEOSA-N 2 0 397.520 -1.118 20 0 GAADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC001324418593 1074650040 /nfs/dbraw/zinc/65/00/40/1074650040.db2.gz AFIOUBLEICNIOP-MRXNPFEDSA-N 2 0 397.520 -1.118 20 0 GAADRP COC(=O)[C@@H](O)C1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC001324880814 1074670426 /nfs/dbraw/zinc/67/04/26/1074670426.db2.gz KWOCXTIMBIGEMD-HNNXBMFYSA-N 2 0 386.493 -1.289 20 0 GAADRP COC(=O)[C@H](O)C1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC001324880815 1074670383 /nfs/dbraw/zinc/67/03/83/1074670383.db2.gz KWOCXTIMBIGEMD-OAHLLOKOSA-N 2 0 386.493 -1.289 20 0 GAADRP CC(C)[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC[NH2+]1 ZINC001325346280 1074688953 /nfs/dbraw/zinc/68/89/53/1074688953.db2.gz MZWKUXMTCFNJQY-DLBZAZTESA-N 2 0 381.521 -1.035 20 0 GAADRP CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC[NH2+]1 ZINC001325346281 1074688863 /nfs/dbraw/zinc/68/88/63/1074688863.db2.gz MZWKUXMTCFNJQY-IAGOWNOFSA-N 2 0 381.521 -1.035 20 0 GAADRP C[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCN1S(C)(=O)=O ZINC001325697874 1074702979 /nfs/dbraw/zinc/70/29/79/1074702979.db2.gz NMCHITAPGVGCEI-AWEZNQCLSA-N 2 0 391.538 -1.570 20 0 GAADRP CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC001325698848 1074702948 /nfs/dbraw/zinc/70/29/48/1074702948.db2.gz UCVSLZLJPYKMTK-CYBMUJFWSA-N 2 0 377.511 -1.912 20 0 GAADRP CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC001325698849 1074703258 /nfs/dbraw/zinc/70/32/58/1074703258.db2.gz UCVSLZLJPYKMTK-ZDUSSCGKSA-N 2 0 377.511 -1.912 20 0 GAADRP CS(=O)(=O)C1(C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC[NH2+]CC1 ZINC001326260884 1074726801 /nfs/dbraw/zinc/72/68/01/1074726801.db2.gz OYAQMCNXRNFJEI-AWEZNQCLSA-N 2 0 386.518 -1.176 20 0 GAADRP CS(=O)(=O)C1(C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC[NH2+]CC1 ZINC001326260885 1074727090 /nfs/dbraw/zinc/72/70/90/1074727090.db2.gz OYAQMCNXRNFJEI-CQSZACIVSA-N 2 0 386.518 -1.176 20 0 GAADRP O=C(C[C@]1(C(=O)NC[C@H]2C[NH2+]CCCO2)CC[NH2+]C1)NC[C@@H]1C[NH2+]CCCO1 ZINC001326305369 1074728721 /nfs/dbraw/zinc/72/87/21/1074728721.db2.gz IGWSLDMUPPNJBB-FRQCXROJSA-N 3 0 397.520 -1.654 20 0 GAADRP O=C(C[C@]1(C(=O)NC[C@H]2C[NH2+]CCCO2)CC[NH2+]C1)NC[C@H]1C[NH2+]CCCO1 ZINC001326305370 1074728807 /nfs/dbraw/zinc/72/88/07/1074728807.db2.gz IGWSLDMUPPNJBB-GPMSIDNRSA-N 3 0 397.520 -1.654 20 0 GAADRP O=C(C[C@]1(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC[NH2+]C1)NC[C@H]1C[NH2+]CCCO1 ZINC001326305371 1074728743 /nfs/dbraw/zinc/72/87/43/1074728743.db2.gz IGWSLDMUPPNJBB-JTDSTZFVSA-N 3 0 397.520 -1.654 20 0 GAADRP O=C(C[C@]1(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC[NH2+]C1)NC[C@@H]1C[NH2+]CCCO1 ZINC001326305372 1074728727 /nfs/dbraw/zinc/72/87/27/1074728727.db2.gz IGWSLDMUPPNJBB-TXPKVOOTSA-N 3 0 397.520 -1.654 20 0 GAADRP CCO[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C[C@H]1C[NH3+] ZINC001326592020 1074743167 /nfs/dbraw/zinc/74/31/67/1074743167.db2.gz TUJSZFUBEXUVTD-BRWVUGGUSA-N 2 0 397.520 -1.669 20 0 GAADRP CCO[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C[C@H]1C[NH3+] ZINC001326592021 1074743041 /nfs/dbraw/zinc/74/30/41/1074743041.db2.gz TUJSZFUBEXUVTD-IXDOHACOSA-N 2 0 397.520 -1.669 20 0 GAADRP CN1CC[NH+](CC2CCN(C(=O)C(=O)NC[C@@H]3C[N@H+](C)CCN3C)CC2)CC1 ZINC001326597288 1074743396 /nfs/dbraw/zinc/74/33/96/1074743396.db2.gz QEQWSODJWVERJG-GOSISDBHSA-N 2 0 394.564 -1.166 20 0 GAADRP CN1CC[NH+](CC2CCN(C(=O)C(=O)NC[C@H]3C[N@H+](C)CCN3C)CC2)CC1 ZINC001326597292 1074743557 /nfs/dbraw/zinc/74/35/57/1074743557.db2.gz QEQWSODJWVERJG-SFHVURJKSA-N 2 0 394.564 -1.166 20 0 GAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001326598058 1074743579 /nfs/dbraw/zinc/74/35/79/1074743579.db2.gz WIFOGZSSCTYLCO-DOTOQJQBSA-N 2 0 380.537 -1.367 20 0 GAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001326598073 1074743641 /nfs/dbraw/zinc/74/36/41/1074743641.db2.gz WIFOGZSSCTYLCO-NVXWUHKLSA-N 2 0 380.537 -1.367 20 0 GAADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001326598074 1074743370 /nfs/dbraw/zinc/74/33/70/1074743370.db2.gz WIFOGZSSCTYLCO-RDJZCZTQSA-N 2 0 380.537 -1.367 20 0 GAADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001326598075 1074743476 /nfs/dbraw/zinc/74/34/76/1074743476.db2.gz WIFOGZSSCTYLCO-WBVHZDCISA-N 2 0 380.537 -1.367 20 0 GAADRP COCC[NH2+]C1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC001326601420 1074743858 /nfs/dbraw/zinc/74/38/58/1074743858.db2.gz KVVOQLHCNZSZEX-HNNXBMFYSA-N 2 0 397.520 -1.083 20 0 GAADRP COCC[NH2+]C1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC001326601421 1074743907 /nfs/dbraw/zinc/74/39/07/1074743907.db2.gz KVVOQLHCNZSZEX-OAHLLOKOSA-N 2 0 397.520 -1.083 20 0 GAADRP O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001326806432 1074754532 /nfs/dbraw/zinc/75/45/32/1074754532.db2.gz FWZIGOJTZHFLDW-UONOGXRCSA-N 2 0 375.433 -1.898 20 0 GAADRP O=C(/C=C/C=C/C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC001326820740 1074755803 /nfs/dbraw/zinc/75/58/03/1074755803.db2.gz CHDCMCOCVUEKTG-CAHBMZBISA-N 2 0 390.484 -1.346 20 0 GAADRP O=C(/C=C/C=C\C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001326820743 1074755628 /nfs/dbraw/zinc/75/56/28/1074755628.db2.gz CHDCMCOCVUEKTG-XSMZQNIISA-N 2 0 390.484 -1.346 20 0 GAADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC001326908114 1074760136 /nfs/dbraw/zinc/76/01/36/1074760136.db2.gz HOVVLRTXBNKBSU-YESZJQIVSA-N 2 0 381.521 -1.035 20 0 GAADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC001326908115 1074759996 /nfs/dbraw/zinc/75/99/96/1074759996.db2.gz HOVVLRTXBNKBSU-ZACQAIPSSA-N 2 0 381.521 -1.035 20 0 GAADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001326938567 1074760736 /nfs/dbraw/zinc/76/07/36/1074760736.db2.gz RXGUOUOMNQZZFH-ARFHVFGLSA-N 2 0 392.504 -1.009 20 0 GAADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001326938570 1074761216 /nfs/dbraw/zinc/76/12/16/1074761216.db2.gz RXGUOUOMNQZZFH-BZUAXINKSA-N 2 0 392.504 -1.009 20 0 GAADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001326938572 1074761158 /nfs/dbraw/zinc/76/11/58/1074761158.db2.gz RXGUOUOMNQZZFH-HRCADAONSA-N 2 0 392.504 -1.009 20 0 GAADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001326938574 1074761115 /nfs/dbraw/zinc/76/11/15/1074761115.db2.gz RXGUOUOMNQZZFH-OWCLPIDISA-N 2 0 392.504 -1.009 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001327346626 1074779500 /nfs/dbraw/zinc/77/95/00/1074779500.db2.gz NBMWZQVZCCHPKI-AWEZNQCLSA-N 2 0 391.538 -1.664 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC001327346627 1074779621 /nfs/dbraw/zinc/77/96/21/1074779621.db2.gz NBMWZQVZCCHPKI-CQSZACIVSA-N 2 0 391.538 -1.664 20 0 GAADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC001327471122 1074786913 /nfs/dbraw/zinc/78/69/13/1074786913.db2.gz IZYRNUMMRYVQIH-GFCCVEGCSA-N 2 0 377.449 -1.006 20 0 GAADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC001327471123 1074786976 /nfs/dbraw/zinc/78/69/76/1074786976.db2.gz IZYRNUMMRYVQIH-LBPRGKRZSA-N 2 0 377.449 -1.006 20 0 GAADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)n1 ZINC001327496411 1074788520 /nfs/dbraw/zinc/78/85/20/1074788520.db2.gz UAVNBYUSXQKKFT-CYBMUJFWSA-N 2 0 379.465 -1.153 20 0 GAADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)n1 ZINC001327496418 1074788564 /nfs/dbraw/zinc/78/85/64/1074788564.db2.gz UAVNBYUSXQKKFT-ZDUSSCGKSA-N 2 0 379.465 -1.153 20 0 GAADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)n1 ZINC001327497374 1074788498 /nfs/dbraw/zinc/78/84/98/1074788498.db2.gz BNMULDHWDQCFHA-CYBMUJFWSA-N 2 0 392.460 -1.172 20 0 GAADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)n1 ZINC001327498846 1074788581 /nfs/dbraw/zinc/78/85/81/1074788581.db2.gz MDLHDHGODNZOCU-UHFFFAOYSA-N 2 0 392.460 -1.172 20 0 GAADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001327501435 1074788444 /nfs/dbraw/zinc/78/84/44/1074788444.db2.gz YMFDTSNWVBVYKF-LBPRGKRZSA-N 2 0 392.460 -1.031 20 0 GAADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001327534021 1074790808 /nfs/dbraw/zinc/79/08/08/1074790808.db2.gz WSSADDQPOVXGDD-UHFFFAOYSA-N 2 0 393.492 -1.259 20 0 GAADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001327534083 1074790892 /nfs/dbraw/zinc/79/08/92/1074790892.db2.gz YMFDTSNWVBVYKF-GFCCVEGCSA-N 2 0 392.460 -1.031 20 0 GAADRP CNc1nc(N2CCC([NH2+]CCO)CC2)nc(N2CCC([NH2+]CCO)CC2)n1 ZINC001327602194 1074794318 /nfs/dbraw/zinc/79/43/18/1074794318.db2.gz YQKVPKGLWAXODA-UHFFFAOYSA-N 2 0 394.524 -1.563 20 0 GAADRP O=C(C[NH+]1C[C@H]2[C@H](CO)[C@H]2C1)N1CCN(C(=O)C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)CC1 ZINC001327729952 1074799313 /nfs/dbraw/zinc/79/93/13/1074799313.db2.gz QUASQOYKXPZAHF-HKCPWHJYSA-N 2 0 392.500 -2.003 20 0 GAADRP O=C(CNC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1)N1CC[NH2+]CC1 ZINC001327834132 1074806656 /nfs/dbraw/zinc/80/66/56/1074806656.db2.gz HSMXZTHRFUYOMM-UHFFFAOYSA-N 2 0 395.504 -1.458 20 0 GAADRP Cn1cc([C@@H]2CN(C(=O)C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)C[C@H]2[NH3+])cn1 ZINC001327961942 1074811946 /nfs/dbraw/zinc/81/19/46/1074811946.db2.gz QOYWPRBOLDYCMD-JKSUJKDBSA-N 2 0 391.520 -1.185 20 0 GAADRP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccc(C(=O)N3CCNC(=O)C3)cc2)CC1 ZINC001327975769 1074812349 /nfs/dbraw/zinc/81/23/49/1074812349.db2.gz QSHHSECXMVXTCW-GOSISDBHSA-N 2 0 389.500 -1.044 20 0 GAADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2ccc(C(=O)N3CCNC(=O)C3)cc2)CC1 ZINC001327975770 1074812384 /nfs/dbraw/zinc/81/23/84/1074812384.db2.gz QSHHSECXMVXTCW-SFHVURJKSA-N 2 0 389.500 -1.044 20 0 GAADRP O=C(C[C@@]1(C(=O)N2CCOC3(C[NH2+]C3)C2)CC[NH2+]C1)N1CCOC2(C[NH2+]C2)C1 ZINC001328072186 1074817835 /nfs/dbraw/zinc/81/78/35/1074817835.db2.gz QFNPJBHARYDSMG-KRWDZBQOSA-N 3 0 393.488 -2.242 20 0 GAADRP O=C(C[C@]1(C(=O)N2CCOC3(C[NH2+]C3)C2)CC[NH2+]C1)N1CCOC2(C[NH2+]C2)C1 ZINC001328072188 1074817846 /nfs/dbraw/zinc/81/78/46/1074817846.db2.gz QFNPJBHARYDSMG-QGZVFWFLSA-N 3 0 393.488 -2.242 20 0 GAADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)cn1 ZINC001328333554 1074829830 /nfs/dbraw/zinc/82/98/30/1074829830.db2.gz KZNJZKYDZRQLQB-UHFFFAOYSA-N 2 0 377.449 -1.551 20 0 GAADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)cn1 ZINC001328333570 1074829847 /nfs/dbraw/zinc/82/98/47/1074829847.db2.gz LOKYCBVCCWKGFZ-UHFFFAOYSA-N 2 0 377.449 -1.632 20 0 GAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001328524806 1074835993 /nfs/dbraw/zinc/83/59/93/1074835993.db2.gz LMCXEOYPLDQJLL-DZKIICNBSA-N 2 0 380.493 -1.167 20 0 GAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001328524807 1074836083 /nfs/dbraw/zinc/83/60/83/1074836083.db2.gz LMCXEOYPLDQJLL-FMKPAKJESA-N 2 0 380.493 -1.167 20 0 GAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001328524808 1074835969 /nfs/dbraw/zinc/83/59/69/1074835969.db2.gz LMCXEOYPLDQJLL-LZWOXQAQSA-N 2 0 380.493 -1.167 20 0 GAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001328524809 1074836402 /nfs/dbraw/zinc/83/64/02/1074836402.db2.gz LMCXEOYPLDQJLL-YCPHGPKFSA-N 2 0 380.493 -1.167 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(=O)n(CC(N)=O)c1 ZINC001328694665 1074843244 /nfs/dbraw/zinc/84/32/44/1074843244.db2.gz TZRPZPGJUIHFDU-UHFFFAOYSA-N 2 0 380.449 -1.776 20 0 GAADRP C[NH+]1CCC(CNC(=O)C(=O)NCC2([NH3+])CCOCC2)(N2CCOCC2)CC1 ZINC001328970382 1074858891 /nfs/dbraw/zinc/85/88/91/1074858891.db2.gz CQOOXEPJJFTOMH-UHFFFAOYSA-N 2 0 397.520 -1.477 20 0 GAADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cn1 ZINC001329031879 1074861683 /nfs/dbraw/zinc/86/16/83/1074861683.db2.gz HVCPOFKINWTRKA-AWEZNQCLSA-N 2 0 379.465 -1.161 20 0 GAADRP Cn1cc([C@@H]2CN(C(=O)C(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C[C@H]2[NH3+])cn1 ZINC001329125557 1074865117 /nfs/dbraw/zinc/86/51/17/1074865117.db2.gz JICHBYHIOWBCID-FXUDXRNXSA-N 2 0 376.461 -1.347 20 0 GAADRP Cn1cc([C@@H]2CN(C(=O)C(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C[C@H]2[NH3+])cn1 ZINC001329125558 1074865197 /nfs/dbraw/zinc/86/51/97/1074865197.db2.gz JICHBYHIOWBCID-LVQVYYBASA-N 2 0 376.461 -1.347 20 0 GAADRP Cn1cc([C@@H]2CN(C(=O)C(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C[C@H]2[NH3+])cn1 ZINC001329125559 1074865230 /nfs/dbraw/zinc/86/52/30/1074865230.db2.gz JICHBYHIOWBCID-XUWVNRHRSA-N 2 0 376.461 -1.347 20 0 GAADRP Cn1cc([C@@H]2CN(C(=O)C(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)C[C@H]2[NH3+])cn1 ZINC001329125560 1074865185 /nfs/dbraw/zinc/86/51/85/1074865185.db2.gz JICHBYHIOWBCID-YHUYYLMFSA-N 2 0 376.461 -1.347 20 0 GAADRP C[NH+](C)C[C@@H](CO)NC(=O)c1cc(=O)cc(C(=O)N[C@H](CO)C[NH+](C)C)o1 ZINC001329313543 1074875061 /nfs/dbraw/zinc/87/50/61/1074875061.db2.gz XRECSPAOBAYJPD-RYUDHWBXSA-N 2 0 384.433 -2.056 20 0 GAADRP C[NH+](C)C[C@H](CO)NC(=O)c1cc(=O)cc(C(=O)N[C@@H](CO)C[NH+](C)C)o1 ZINC001329313553 1074875103 /nfs/dbraw/zinc/87/51/03/1074875103.db2.gz XRECSPAOBAYJPD-VXGBXAGGSA-N 2 0 384.433 -2.056 20 0 GAADRP O=C(NCC[NH+]1CC[C@H](O)C1)c1ccc(C(=O)NCC[N@H+]2CC[C@H](O)C2)o1 ZINC001329626535 1074887786 /nfs/dbraw/zinc/88/77/86/1074887786.db2.gz PXIIBRAODDQTDH-KBPBESRZSA-N 2 0 380.445 -1.128 20 0 GAADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCN1S(C)(=O)=O ZINC001329649763 1074888430 /nfs/dbraw/zinc/88/84/30/1074888430.db2.gz NMCHITAPGVGCEI-CQSZACIVSA-N 2 0 391.538 -1.570 20 0 GAADRP CC(C)[C@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)N1CC[NH+](C)CC1 ZINC001329822850 1074896540 /nfs/dbraw/zinc/89/65/40/1074896540.db2.gz TWJAOYRYGPBRNR-AWEZNQCLSA-N 2 0 393.492 -1.355 20 0 GAADRP CC(C)[C@@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)N1CC[NH+](C)CC1 ZINC001329822851 1074896427 /nfs/dbraw/zinc/89/64/27/1074896427.db2.gz TWJAOYRYGPBRNR-CQSZACIVSA-N 2 0 393.492 -1.355 20 0 GAADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)n1 ZINC001329854026 1074898967 /nfs/dbraw/zinc/89/89/67/1074898967.db2.gz FFKYIQKZQPBOLS-UHFFFAOYSA-N 2 0 392.460 -1.172 20 0 GAADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCc3nc(C[NH3+])cc(=O)[nH]3)CC2)C1 ZINC001329863535 1074899568 /nfs/dbraw/zinc/89/95/68/1074899568.db2.gz WZGLHJGRWHKGDO-AWEZNQCLSA-N 2 0 391.476 -1.505 20 0 GAADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCc3nc(C[NH3+])cc(=O)[nH]3)CC2)C1 ZINC001329863536 1074899592 /nfs/dbraw/zinc/89/95/92/1074899592.db2.gz WZGLHJGRWHKGDO-CQSZACIVSA-N 2 0 391.476 -1.505 20 0 GAADRP COC(=O)[C@]1(OC)CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC001329879594 1074900724 /nfs/dbraw/zinc/90/07/24/1074900724.db2.gz BQKDPRYMVRZOOJ-CLCXKQKWSA-N 2 0 398.504 -1.025 20 0 GAADRP COC(=O)[C@@]1(OC)CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC001329879595 1074900745 /nfs/dbraw/zinc/90/07/45/1074900745.db2.gz BQKDPRYMVRZOOJ-SPYBWZPUSA-N 2 0 398.504 -1.025 20 0 GAADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC001329993547 1074905653 /nfs/dbraw/zinc/90/56/53/1074905653.db2.gz VXESHWRPYUWLFN-DLBZAZTESA-N 2 0 381.521 -1.202 20 0 GAADRP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001330000042 1074905683 /nfs/dbraw/zinc/90/56/83/1074905683.db2.gz FCFVSDAAYTYPEO-BHYGNILZSA-N 2 0 380.489 -1.119 20 0 GAADRP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001330000043 1074906021 /nfs/dbraw/zinc/90/60/21/1074906021.db2.gz FCFVSDAAYTYPEO-HYVNUMGLSA-N 2 0 380.489 -1.119 20 0 GAADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)n1 ZINC001330071951 1074907994 /nfs/dbraw/zinc/90/79/94/1074907994.db2.gz SAZMUNIAHXXWSR-ZDUSSCGKSA-N 2 0 379.465 -1.161 20 0 GAADRP CCS(=O)(=O)CCNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001330165015 1074909703 /nfs/dbraw/zinc/90/97/03/1074909703.db2.gz LOYQBICBIJOKCP-ZIAGYGMSSA-N 2 0 376.523 -1.265 20 0 GAADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCCN2C(=O)CCC2=O)C[C@H]1C[NH+](C)C ZINC001330198458 1074911206 /nfs/dbraw/zinc/91/12/06/1074911206.db2.gz YOTFVOWIGLWAAS-ZIAGYGMSSA-N 2 0 381.477 -1.551 20 0 GAADRP C[C@@H](CNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)S(C)(=O)=O ZINC001330207594 1074911475 /nfs/dbraw/zinc/91/14/75/1074911475.db2.gz RZJYDUGTUZPNIK-BFHYXJOUSA-N 2 0 376.523 -1.267 20 0 GAADRP C[C@H](CNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)S(C)(=O)=O ZINC001330207595 1074911558 /nfs/dbraw/zinc/91/15/58/1074911558.db2.gz RZJYDUGTUZPNIK-MGPQQGTHSA-N 2 0 376.523 -1.267 20 0 GAADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCc2nnnn2CC2CC2)C[C@H]1C[NH+](C)C ZINC001330298737 1074912602 /nfs/dbraw/zinc/91/26/02/1074912602.db2.gz PWOJUJWPOLQHGO-HUUCEWRRSA-N 2 0 392.508 -1.103 20 0 GAADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](S(C)(=O)=O)C2)C[C@H]1C[NH+](C)C ZINC001330432831 1074915817 /nfs/dbraw/zinc/91/58/17/1074915817.db2.gz WFEWUDZKXHKPMS-KFWWJZLASA-N 2 0 388.534 -1.170 20 0 GAADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](S(C)(=O)=O)C2)C[C@H]1C[NH+](C)C ZINC001330432832 1074915878 /nfs/dbraw/zinc/91/58/78/1074915878.db2.gz WFEWUDZKXHKPMS-RBSFLKMASA-N 2 0 388.534 -1.170 20 0 GAADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCc3nnnn3CC2)C[C@H]1C[NH+](C)C ZINC001330800788 1074924262 /nfs/dbraw/zinc/92/42/62/1074924262.db2.gz UJIINRBQNLWPIL-KFWWJZLASA-N 2 0 392.508 -1.308 20 0 GAADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCc3nnnn3CC2)C[C@H]1C[NH+](C)C ZINC001330800790 1074924141 /nfs/dbraw/zinc/92/41/41/1074924141.db2.gz UJIINRBQNLWPIL-RBSFLKMASA-N 2 0 392.508 -1.308 20 0 GAADRP COC[C@]1(C(=O)N2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)C[NH2+]CCO1 ZINC001331054248 1074929719 /nfs/dbraw/zinc/92/97/19/1074929719.db2.gz WEUXCFVHOKDZQA-DAYGRLMNSA-N 2 0 381.477 -1.262 20 0 GAADRP COC[C@]1(C(=O)N2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)C[NH2+]CCO1 ZINC001331054251 1074929701 /nfs/dbraw/zinc/92/97/01/1074929701.db2.gz WEUXCFVHOKDZQA-MPGHIAIKSA-N 2 0 381.477 -1.262 20 0 GAADRP COC[C@]1(C(=O)N2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)C[NH2+]CCO1 ZINC001331054252 1074929745 /nfs/dbraw/zinc/92/97/45/1074929745.db2.gz WEUXCFVHOKDZQA-RKVPGOIHSA-N 2 0 381.477 -1.262 20 0 GAADRP COC[C@]1(C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)C[NH2+]CCO1 ZINC001331054253 1074929782 /nfs/dbraw/zinc/92/97/82/1074929782.db2.gz WEUXCFVHOKDZQA-VKJFTORMSA-N 2 0 381.477 -1.262 20 0 GAADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)N[C@H]1CC[N@H+](CCN3CCOCC3)C1)C2 ZINC001331115971 1074930863 /nfs/dbraw/zinc/93/08/63/1074930863.db2.gz FYJYOKBMKMDONV-BXWFABGCSA-N 2 0 379.505 -1.151 20 0 GAADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)N[C@@H]1CC[N@H+](CCN3CCOCC3)C1)C2 ZINC001331115972 1074930775 /nfs/dbraw/zinc/93/07/75/1074930775.db2.gz FYJYOKBMKMDONV-FCEWJHQRSA-N 2 0 379.505 -1.151 20 0 GAADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N[C@H]1CC[N@H+](CCN3CCOCC3)C1)C2 ZINC001331115973 1074930801 /nfs/dbraw/zinc/93/08/01/1074930801.db2.gz FYJYOKBMKMDONV-GJYPPUQNSA-N 2 0 379.505 -1.151 20 0 GAADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]1CC[N@H+](CCN3CCOCC3)C1)C2 ZINC001331115974 1074930835 /nfs/dbraw/zinc/93/08/35/1074930835.db2.gz FYJYOKBMKMDONV-MDZRGWNJSA-N 2 0 379.505 -1.151 20 0 GAADRP CN1C(=O)[C@H]2C[NH+](CC3(C[N@H+]4C[C@@H]5C(=O)N(C)C(=O)[C@@H]5C4)COC3)C[C@H]2C1=O ZINC001331142967 1074931131 /nfs/dbraw/zinc/93/11/31/1074931131.db2.gz BNXKJDSXEMRQHR-KPWCQOOUSA-N 2 0 390.440 -1.904 20 0 GAADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001331160931 1074931301 /nfs/dbraw/zinc/93/13/01/1074931301.db2.gz MCVMVYPQDQEBLT-BEAPCOKYSA-N 2 0 377.445 -1.267 20 0 GAADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001331160936 1074931364 /nfs/dbraw/zinc/93/13/64/1074931364.db2.gz MCVMVYPQDQEBLT-MHEUCROKSA-N 2 0 377.445 -1.267 20 0 GAADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001331160941 1074931375 /nfs/dbraw/zinc/93/13/75/1074931375.db2.gz MCVMVYPQDQEBLT-MYPMTAMASA-N 2 0 377.445 -1.267 20 0 GAADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001331160947 1074931399 /nfs/dbraw/zinc/93/13/99/1074931399.db2.gz MCVMVYPQDQEBLT-NGFQHRJXSA-N 2 0 377.445 -1.267 20 0 GAADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCCS(=O)(=O)C2CC2)C[C@H]1C[NH+](C)C ZINC001331445095 1074993307 /nfs/dbraw/zinc/99/33/07/1074993307.db2.gz SGOLPJFJXYFOIZ-ZIAGYGMSSA-N 2 0 388.534 -1.122 20 0 GAADRP C[C@@H]1[C@H](NC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCS1(=O)=O ZINC001331511224 1074995005 /nfs/dbraw/zinc/99/50/05/1074995005.db2.gz PGVXIOUMHCYHOT-KBUPBQIOSA-N 2 0 388.534 -1.124 20 0 GAADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC001331559926 1074995541 /nfs/dbraw/zinc/99/55/41/1074995541.db2.gz RXINAQSFLSGVIU-UONOGXRCSA-N 2 0 379.465 -1.244 20 0 GAADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N[C@@H]1CC[N@H+](CCN3CCOCC3)C1)C2 ZINC001331604165 1074997585 /nfs/dbraw/zinc/99/75/85/1074997585.db2.gz OGRHUNIMUDPIPR-FRQCXROJSA-N 2 0 379.505 -1.423 20 0 GAADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N[C@H]1CC[N@H+](CCN3CCOCC3)C1)C2 ZINC001331604166 1074997615 /nfs/dbraw/zinc/99/76/15/1074997615.db2.gz OGRHUNIMUDPIPR-TXPKVOOTSA-N 2 0 379.505 -1.423 20 0 GAADRP CN1CCC([NH+]2CCC(NC(=O)C(=O)NCCN3CCNC3=O)CC2)CC1 ZINC001331728172 1075001757 /nfs/dbraw/zinc/00/17/57/1075001757.db2.gz FNRFJYYWBPHWMJ-UHFFFAOYSA-N 2 0 380.493 -1.197 20 0 GAADRP [NH3+]C1(CNC(=O)C(=O)NCC2(N3CCOCC3)CCOCC2)CCOCC1 ZINC001331731064 1075001701 /nfs/dbraw/zinc/00/17/01/1075001701.db2.gz KYTJBMNEFPMOPU-UHFFFAOYSA-N 2 0 384.477 -1.392 20 0 GAADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC001331732284 1075002210 /nfs/dbraw/zinc/00/22/10/1075002210.db2.gz WFZBCNJGQUUYSQ-CVEARBPZSA-N 2 0 379.505 -1.090 20 0 GAADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC001331732285 1075002137 /nfs/dbraw/zinc/00/21/37/1075002137.db2.gz WFZBCNJGQUUYSQ-HOTGVXAUSA-N 2 0 379.505 -1.090 20 0 GAADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC001331732286 1075002247 /nfs/dbraw/zinc/00/22/47/1075002247.db2.gz WFZBCNJGQUUYSQ-HZPDHXFCSA-N 2 0 379.505 -1.090 20 0 GAADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001331732287 1075002100 /nfs/dbraw/zinc/00/21/00/1075002100.db2.gz WFZBCNJGQUUYSQ-JKSUJKDBSA-N 2 0 379.505 -1.090 20 0 GAADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC001331776798 1075003895 /nfs/dbraw/zinc/00/38/95/1075003895.db2.gz XJRUQUYSDYAHNR-HNNXBMFYSA-N 2 0 380.493 -1.434 20 0 GAADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC001331776799 1075003970 /nfs/dbraw/zinc/00/39/70/1075003970.db2.gz XJRUQUYSDYAHNR-OAHLLOKOSA-N 2 0 380.493 -1.434 20 0 GAADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C)cn1 ZINC001331782428 1075004261 /nfs/dbraw/zinc/00/42/61/1075004261.db2.gz RCEXWLYIKANBRH-AWEZNQCLSA-N 2 0 379.465 -1.290 20 0 GAADRP C[NH+]1CCN(CCNC(=O)[C@@H]2CC[C@@H]2C(=O)NCCN2CC[NH+](C)CC2)CC1 ZINC001331858405 1075006234 /nfs/dbraw/zinc/00/62/34/1075006234.db2.gz RLBVGDBLAKGARK-HDICACEKSA-N 2 0 394.564 -1.260 20 0 GAADRP C[NH+]1CCN(CCNC(=O)[C@@H]2CC[C@H]2C(=O)NCCN2CC[NH+](C)CC2)CC1 ZINC001331858406 1075006203 /nfs/dbraw/zinc/00/62/03/1075006203.db2.gz RLBVGDBLAKGARK-QZTJIDSGSA-N 2 0 394.564 -1.260 20 0 GAADRP C[NH+]1CCN(CCNC(=O)[C@H]2CC[C@@H]2C(=O)NCCN2CC[NH+](C)CC2)CC1 ZINC001331858407 1075006412 /nfs/dbraw/zinc/00/64/12/1075006412.db2.gz RLBVGDBLAKGARK-ROUUACIJSA-N 2 0 394.564 -1.260 20 0 GAADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@H]2C[C@H](S(C)(=O)=O)C2)C[C@H]1C[NH+](C)C ZINC001331874837 1075006397 /nfs/dbraw/zinc/00/63/97/1075006397.db2.gz SFSGAGPRSKGYCU-KBUPBQIOSA-N 2 0 388.534 -1.124 20 0 GAADRP CN(C)S(=O)(=O)C1(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC001331886657 1075006918 /nfs/dbraw/zinc/00/69/18/1075006918.db2.gz JAQXPYYSPDUKMT-UHFFFAOYSA-N 2 0 391.538 -1.522 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@]12COCCN1C(=O)COC2 ZINC001331957758 1075007175 /nfs/dbraw/zinc/00/71/75/1075007175.db2.gz BGTQEZKWSBHLFC-GOSISDBHSA-N 2 0 399.492 -2.318 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@]12COCCN1C(=O)COC2 ZINC001331957759 1075007125 /nfs/dbraw/zinc/00/71/25/1075007125.db2.gz BGTQEZKWSBHLFC-SFHVURJKSA-N 2 0 399.492 -2.318 20 0 GAADRP COC(=O)[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCO1 ZINC001331959449 1075007203 /nfs/dbraw/zinc/00/72/03/1075007203.db2.gz KQNYBVIPSSFCJN-KFWWJZLASA-N 2 0 384.477 -1.415 20 0 GAADRP COC(=O)[C@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCO1 ZINC001331959451 1075007214 /nfs/dbraw/zinc/00/72/14/1075007214.db2.gz KQNYBVIPSSFCJN-RBSFLKMASA-N 2 0 384.477 -1.415 20 0 GAADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC001331963253 1075007197 /nfs/dbraw/zinc/00/71/97/1075007197.db2.gz UMEZBECAVNTXNC-KRWDZBQOSA-N 2 0 391.520 -1.287 20 0 GAADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC001331963256 1075007183 /nfs/dbraw/zinc/00/71/83/1075007183.db2.gz UMEZBECAVNTXNC-QGZVFWFLSA-N 2 0 391.520 -1.287 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC001332003941 1075008207 /nfs/dbraw/zinc/00/82/07/1075008207.db2.gz QVJXCIZSBPLJPD-AWEZNQCLSA-N 2 0 391.538 -1.522 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC001332003942 1075008347 /nfs/dbraw/zinc/00/83/47/1075008347.db2.gz QVJXCIZSBPLJPD-CQSZACIVSA-N 2 0 391.538 -1.522 20 0 GAADRP COCCN1CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1=O ZINC001332056698 1075009387 /nfs/dbraw/zinc/00/93/87/1075009387.db2.gz MPSFNFYWARCQDE-HZPDHXFCSA-N 2 0 397.520 -1.499 20 0 GAADRP COC(=O)[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C[C@@H](C)O1 ZINC001332057567 1075009426 /nfs/dbraw/zinc/00/94/26/1075009426.db2.gz XCNVGPVKHGFDDH-FPCVCCKLSA-N 2 0 398.504 -1.027 20 0 GAADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)C[C@H]1C[NH+](C)C ZINC001332077979 1075010484 /nfs/dbraw/zinc/01/04/84/1075010484.db2.gz GHTBSPXXGYEFAV-MCIONIFRSA-N 2 0 394.476 -2.053 20 0 GAADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)C[C@H]1C[NH+](C)C ZINC001332077986 1075010389 /nfs/dbraw/zinc/01/03/89/1075010389.db2.gz GHTBSPXXGYEFAV-MGPQQGTHSA-N 2 0 394.476 -2.053 20 0 GAADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)C[C@H]1C[NH+](C)C ZINC001332080021 1075010384 /nfs/dbraw/zinc/01/03/84/1075010384.db2.gz TVWOXNQROYXCGZ-SYQHCUMBSA-N 2 0 379.461 -2.085 20 0 GAADRP CN1C(=O)[C@H]2CN(C(=O)C(=O)N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)C[C@H]2C1=O ZINC001332080607 1075010449 /nfs/dbraw/zinc/01/04/49/1075010449.db2.gz YPBCBMIFQALLDC-TUVASFSCSA-N 2 0 393.488 -1.743 20 0 GAADRP CN1CC[NH+](C2CCN(C(=O)C(=O)NCCCN3CC[NH2+]CC3)CC2)CC1 ZINC001332302395 1075013332 /nfs/dbraw/zinc/01/33/32/1075013332.db2.gz OFUOKKWYARXLNG-UHFFFAOYSA-N 2 0 380.537 -1.364 20 0 GAADRP Cn1nnnc1C1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC001332341333 1075013822 /nfs/dbraw/zinc/01/38/22/1075013822.db2.gz ABCFGNMBYMGQFC-UHFFFAOYSA-N 2 0 380.497 -1.132 20 0 GAADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCCCS(C)(=O)=O)C[C@H]1C[NH+](C)C ZINC001332555422 1075017390 /nfs/dbraw/zinc/01/73/90/1075017390.db2.gz OMCYNKCQGJUSGS-ZIAGYGMSSA-N 2 0 376.523 -1.265 20 0 GAADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[NH+](CCN4CCOCC4)C3)C[C@]2(C)C1 ZINC001332698078 1075021620 /nfs/dbraw/zinc/02/16/20/1075021620.db2.gz CHDDBVRDURVNLB-HLIPFELVSA-N 2 0 393.532 -1.081 20 0 GAADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CC[NH+](CCN4CCOCC4)C3)C[C@]2(C)C1 ZINC001332698104 1075021595 /nfs/dbraw/zinc/02/15/95/1075021595.db2.gz CHDDBVRDURVNLB-UWVAXJGDSA-N 2 0 393.532 -1.081 20 0 GAADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCC(=O)N2CCOCC2)C[C@H]1C[NH+](C)C ZINC001332825416 1075024479 /nfs/dbraw/zinc/02/44/79/1075024479.db2.gz SISKYQRVSIIBSA-HUUCEWRRSA-N 2 0 383.493 -1.841 20 0 GAADRP CN1C(=O)CC[C@H](NC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1=O ZINC001333071280 1075028038 /nfs/dbraw/zinc/02/80/38/1075028038.db2.gz NNIUNTIMKSMCHZ-MCIONIFRSA-N 2 0 381.477 -1.552 20 0 GAADRP CN1C(=O)CC[C@@H](NC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1=O ZINC001333071281 1075028179 /nfs/dbraw/zinc/02/81/79/1075028179.db2.gz NNIUNTIMKSMCHZ-MGPQQGTHSA-N 2 0 381.477 -1.552 20 0 GAADRP C[NH+]1CCN(CCNC(=O)C2(C(=O)NCCN3CC[NH+](C)CC3)CCC2)CC1 ZINC001333094025 1075028116 /nfs/dbraw/zinc/02/81/16/1075028116.db2.gz SAQQJTGKSAZNHR-UHFFFAOYSA-N 2 0 394.564 -1.116 20 0 GAADRP C[NH+]1CCC(CNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)(N2CCOCC2)CC1 ZINC001333394730 1075032192 /nfs/dbraw/zinc/03/21/92/1075032192.db2.gz UIUMLWRWLDYUOJ-IYBDPMFKSA-N 2 0 379.505 -1.138 20 0 GAADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC001333423207 1075032613 /nfs/dbraw/zinc/03/26/13/1075032613.db2.gz IPJNMILLIBDESU-AHDPXTMNSA-N 2 0 379.461 -1.164 20 0 GAADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC001333423208 1075032698 /nfs/dbraw/zinc/03/26/98/1075032698.db2.gz IPJNMILLIBDESU-QMIVOQANSA-N 2 0 379.461 -1.164 20 0 GAADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](CCOC)C2)CC1 ZINC001333534496 1075034611 /nfs/dbraw/zinc/03/46/11/1075034611.db2.gz GEIJNJRGRPUUDT-INIZCTEOSA-N 2 0 397.520 -1.070 20 0 GAADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](CCOC)C2)CC1 ZINC001333534498 1075034824 /nfs/dbraw/zinc/03/48/24/1075034824.db2.gz GEIJNJRGRPUUDT-MRXNPFEDSA-N 2 0 397.520 -1.070 20 0 GAADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001333925934 1075038265 /nfs/dbraw/zinc/03/82/65/1075038265.db2.gz JRBKFXIJXPKHQG-BARDWOONSA-N 2 0 394.476 -2.258 20 0 GAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001333925949 1075038159 /nfs/dbraw/zinc/03/81/59/1075038159.db2.gz JRBKFXIJXPKHQG-TUVASFSCSA-N 2 0 394.476 -2.258 20 0 GAADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001333925952 1075038280 /nfs/dbraw/zinc/03/82/80/1075038280.db2.gz JRBKFXIJXPKHQG-XQLPTFJDSA-N 2 0 394.476 -2.258 20 0 GAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001333925955 1075038247 /nfs/dbraw/zinc/03/82/47/1075038247.db2.gz JRBKFXIJXPKHQG-YJNKXOJESA-N 2 0 394.476 -2.258 20 0 GAADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC001333944194 1075038646 /nfs/dbraw/zinc/03/86/46/1075038646.db2.gz QTTNSKUBDMQZLX-BRWVUGGUSA-N 2 0 379.505 -1.138 20 0 GAADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC001333944195 1075038512 /nfs/dbraw/zinc/03/85/12/1075038512.db2.gz QTTNSKUBDMQZLX-IKGGRYGDSA-N 2 0 379.505 -1.138 20 0 GAADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC001333944196 1075038660 /nfs/dbraw/zinc/03/86/60/1075038660.db2.gz QTTNSKUBDMQZLX-IXDOHACOSA-N 2 0 379.505 -1.138 20 0 GAADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC001333944197 1075038631 /nfs/dbraw/zinc/03/86/31/1075038631.db2.gz QTTNSKUBDMQZLX-ZACQAIPSSA-N 2 0 379.505 -1.138 20 0 GAADRP C[NH+]1CC[C@@](O)(CNC(=O)c2cc(C(=O)NC[C@@]3(O)CC[N@@H+](C)C3)[nH]n2)C1 ZINC001334639810 1075044774 /nfs/dbraw/zinc/04/47/74/1075044774.db2.gz FXKMGXDJQJDGIM-CALCHBBNSA-N 2 0 380.449 -1.998 20 0 GAADRP C[NH+]1CC[C@@](O)(CNC(=O)c2cc(C(=O)NC[C@]3(O)CC[N@@H+](C)C3)[nH]n2)C1 ZINC001334639811 1075044733 /nfs/dbraw/zinc/04/47/33/1075044733.db2.gz FXKMGXDJQJDGIM-IAGOWNOFSA-N 2 0 380.449 -1.998 20 0 GAADRP C[NH+]1CC[C@](O)(CNC(=O)c2cc(C(=O)NC[C@@]3(O)CC[N@@H+](C)C3)[nH]n2)C1 ZINC001334639812 1075044678 /nfs/dbraw/zinc/04/46/78/1075044678.db2.gz FXKMGXDJQJDGIM-IRXDYDNUSA-N 2 0 380.449 -1.998 20 0 GAADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC001335184632 1075054299 /nfs/dbraw/zinc/05/42/99/1075054299.db2.gz PDHDMXZRENRSIF-APWZRJJASA-N 2 0 379.505 -1.136 20 0 GAADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC001335184636 1075054195 /nfs/dbraw/zinc/05/41/95/1075054195.db2.gz PDHDMXZRENRSIF-LPHOPBHVSA-N 2 0 379.505 -1.136 20 0 GAADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC001335184640 1075054268 /nfs/dbraw/zinc/05/42/68/1075054268.db2.gz PDHDMXZRENRSIF-QFBILLFUSA-N 2 0 379.505 -1.136 20 0 GAADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC001335184643 1075054345 /nfs/dbraw/zinc/05/43/45/1075054345.db2.gz PDHDMXZRENRSIF-VQIMIIECSA-N 2 0 379.505 -1.136 20 0 GAADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC[C@@H]1C[NH3+] ZINC001335184692 1075054340 /nfs/dbraw/zinc/05/43/40/1075054340.db2.gz PNBMQVRAEIUVGT-BRWVUGGUSA-N 2 0 381.521 -1.048 20 0 GAADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC[C@H]1C[NH3+] ZINC001335184694 1075054319 /nfs/dbraw/zinc/05/43/19/1075054319.db2.gz PNBMQVRAEIUVGT-IKGGRYGDSA-N 2 0 381.521 -1.048 20 0 GAADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC[C@H]1C[NH3+] ZINC001335184696 1075054333 /nfs/dbraw/zinc/05/43/33/1075054333.db2.gz PNBMQVRAEIUVGT-IXDOHACOSA-N 2 0 381.521 -1.048 20 0 GAADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC[C@@H]1C[NH3+] ZINC001335184698 1075054308 /nfs/dbraw/zinc/05/43/08/1075054308.db2.gz PNBMQVRAEIUVGT-ZACQAIPSSA-N 2 0 381.521 -1.048 20 0 GAADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[NH2+]1 ZINC001335198469 1075054567 /nfs/dbraw/zinc/05/45/67/1075054567.db2.gz FSPXLKBUYDQYGA-CHWSQXEVSA-N 2 0 379.465 -1.244 20 0 GAADRP C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[NH2+]1 ZINC001335198470 1075054485 /nfs/dbraw/zinc/05/44/85/1075054485.db2.gz FSPXLKBUYDQYGA-OLZOCXBDSA-N 2 0 379.465 -1.244 20 0 GAADRP C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[NH2+]1 ZINC001335198471 1075054572 /nfs/dbraw/zinc/05/45/72/1075054572.db2.gz FSPXLKBUYDQYGA-QWHCGFSZSA-N 2 0 379.465 -1.244 20 0 GAADRP C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[NH2+]1 ZINC001335198472 1075054541 /nfs/dbraw/zinc/05/45/41/1075054541.db2.gz FSPXLKBUYDQYGA-STQMWFEESA-N 2 0 379.465 -1.244 20 0 GAADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001335208752 1075054888 /nfs/dbraw/zinc/05/48/88/1075054888.db2.gz VFUUBVROTAKXSU-BRWVUGGUSA-N 2 0 381.521 -1.129 20 0 GAADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001335208778 1075054860 /nfs/dbraw/zinc/05/48/60/1075054860.db2.gz VFUUBVROTAKXSU-ZACQAIPSSA-N 2 0 381.521 -1.129 20 0 GAADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC001335257366 1075055670 /nfs/dbraw/zinc/05/56/70/1075055670.db2.gz WQCOFXQYIGRMNX-UHFFFAOYSA-N 2 0 392.460 -1.030 20 0 GAADRP O=C(C(=O)N1CCC[N@@H+]2CCC[C@H]2C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC001335378914 1075057297 /nfs/dbraw/zinc/05/72/97/1075057297.db2.gz KYQSYJLGOMLOJW-INIZCTEOSA-N 2 0 392.504 -1.148 20 0 GAADRP O=C(C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC001335378915 1075057376 /nfs/dbraw/zinc/05/73/76/1075057376.db2.gz KYQSYJLGOMLOJW-MRXNPFEDSA-N 2 0 392.504 -1.148 20 0 GAADRP O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC001335390868 1075057403 /nfs/dbraw/zinc/05/74/03/1075057403.db2.gz HIIPNSJSINTXPL-BBWFWOEESA-N 2 0 380.489 -1.119 20 0 GAADRP O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC001335390870 1075057419 /nfs/dbraw/zinc/05/74/19/1075057419.db2.gz HIIPNSJSINTXPL-GVDBMIGSSA-N 2 0 380.489 -1.119 20 0 GAADRP COCC[N@H+](C)CCN1C[C@@H]([NH2+]CC2(O)CCS(=O)(=O)CC2)CC1=O ZINC001335450830 1075058201 /nfs/dbraw/zinc/05/82/01/1075058201.db2.gz IWALIPLIPDUTKT-AWEZNQCLSA-N 2 0 377.507 -1.305 20 0 GAADRP COCC[N@H+](C)CCN1C[C@H]([NH2+]CC2(O)CCS(=O)(=O)CC2)CC1=O ZINC001335450831 1075058260 /nfs/dbraw/zinc/05/82/60/1075058260.db2.gz IWALIPLIPDUTKT-CQSZACIVSA-N 2 0 377.507 -1.305 20 0 GAADRP C[NH+](C)[C@H]1CCN(CCn2cc(CNC(=O)CN3CCC[NH2+]CC3)nn2)C1 ZINC001335463768 1075058274 /nfs/dbraw/zinc/05/82/74/1075058274.db2.gz CKQZBVGHIFPKJN-KRWDZBQOSA-N 2 0 378.525 -1.175 20 0 GAADRP C[NH+](C)[C@@H]1CCN(CCn2cc(CNC(=O)CN3CCC[NH2+]CC3)nn2)C1 ZINC001335463769 1075058180 /nfs/dbraw/zinc/05/81/80/1075058180.db2.gz CKQZBVGHIFPKJN-QGZVFWFLSA-N 2 0 378.525 -1.175 20 0 GAADRP CN(CCS(C)(=O)=O)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001335548547 1075058859 /nfs/dbraw/zinc/05/88/59/1075058859.db2.gz UCPZNRAQIHECKG-ZIAGYGMSSA-N 2 0 376.523 -1.313 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(C(=O)NCCO)CC1 ZINC001335563677 1075059291 /nfs/dbraw/zinc/05/92/91/1075059291.db2.gz PFZAMXHGDVXQKC-UHFFFAOYSA-N 2 0 385.509 -1.715 20 0 GAADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)C[C@H]1C[NH+](C)C ZINC001335612136 1075059824 /nfs/dbraw/zinc/05/98/24/1075059824.db2.gz XFXVBOJJYFCMTI-KFWWJZLASA-N 2 0 380.493 -1.580 20 0 GAADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)C[C@H]1C[NH+](C)C ZINC001335612137 1075059785 /nfs/dbraw/zinc/05/97/85/1075059785.db2.gz XFXVBOJJYFCMTI-RBSFLKMASA-N 2 0 380.493 -1.580 20 0 GAADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC001335715930 1075060972 /nfs/dbraw/zinc/06/09/72/1075060972.db2.gz QSGRMRGEBFMYNB-BARDWOONSA-N 2 0 379.461 -1.210 20 0 GAADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC001335715932 1075060895 /nfs/dbraw/zinc/06/08/95/1075060895.db2.gz QSGRMRGEBFMYNB-TUVASFSCSA-N 2 0 379.461 -1.210 20 0 GAADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC001335715933 1075060889 /nfs/dbraw/zinc/06/08/89/1075060889.db2.gz QSGRMRGEBFMYNB-XQLPTFJDSA-N 2 0 379.461 -1.210 20 0 GAADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC001335715934 1075060974 /nfs/dbraw/zinc/06/09/74/1075060974.db2.gz QSGRMRGEBFMYNB-YJNKXOJESA-N 2 0 379.461 -1.210 20 0 GAADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NCCN3CCC([NH3+])CC3)C2)CC1 ZINC001335751658 1075061171 /nfs/dbraw/zinc/06/11/71/1075061171.db2.gz OSYIWRGGLDMAFW-INIZCTEOSA-N 2 0 380.537 -1.190 20 0 GAADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NCCN3CCC([NH3+])CC3)C2)CC1 ZINC001335751659 1075061196 /nfs/dbraw/zinc/06/11/96/1075061196.db2.gz OSYIWRGGLDMAFW-MRXNPFEDSA-N 2 0 380.537 -1.190 20 0 GAADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C[C@H]1CC[NH3+] ZINC001335761239 1075061133 /nfs/dbraw/zinc/06/11/33/1075061133.db2.gz ZWMQYXMYBVCVMU-BRWVUGGUSA-N 2 0 381.521 -1.048 20 0 GAADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C[C@H]1CC[NH3+] ZINC001335761240 1075061221 /nfs/dbraw/zinc/06/12/21/1075061221.db2.gz ZWMQYXMYBVCVMU-ZACQAIPSSA-N 2 0 381.521 -1.048 20 0 GAADRP [NH3+]CCN1CCC[C@@H](C(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)C1=O ZINC001335876151 1075061834 /nfs/dbraw/zinc/06/18/34/1075061834.db2.gz ZJYORDMFKNPJAF-KFWWJZLASA-N 2 0 379.461 -1.033 20 0 GAADRP [NH3+]CCN1CCC[C@H](C(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)C1=O ZINC001335876153 1075061843 /nfs/dbraw/zinc/06/18/43/1075061843.db2.gz ZJYORDMFKNPJAF-ZNMIVQPWSA-N 2 0 379.461 -1.033 20 0 GAADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC(=O)NCC(=O)NCc2ccccc2)CC1 ZINC001336150044 1075062745 /nfs/dbraw/zinc/06/27/45/1075062745.db2.gz BPSNNJRXFGOBGW-KRWDZBQOSA-N 2 0 377.489 -1.383 20 0 GAADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC(=O)NCC(=O)NCc2ccccc2)CC1 ZINC001336150045 1075062830 /nfs/dbraw/zinc/06/28/30/1075062830.db2.gz BPSNNJRXFGOBGW-QGZVFWFLSA-N 2 0 377.489 -1.383 20 0 GAADRP Cn1ncnc1C1(O)CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC001336543961 1075066814 /nfs/dbraw/zinc/06/68/14/1075066814.db2.gz FNJFOAGLRMFORQ-ZIAGYGMSSA-N 2 0 393.492 -1.957 20 0 GAADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC001336948478 1075068250 /nfs/dbraw/zinc/06/82/50/1075068250.db2.gz SCAMJMCBURSIBK-GASCZTMLSA-N 2 0 377.489 -1.003 20 0 GAADRP C[NH+]1CCC(CNC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)(N2CCOCC2)CC1 ZINC001337386856 1075069395 /nfs/dbraw/zinc/06/93/95/1075069395.db2.gz DLBKAAJQNRJVSU-QFBILLFUSA-N 2 0 393.532 -1.033 20 0 GAADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001338278296 1075074011 /nfs/dbraw/zinc/07/40/11/1075074011.db2.gz OWGWGROYZXJTRS-BBWFWOEESA-N 2 0 379.505 -1.423 20 0 GAADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001338278297 1075074076 /nfs/dbraw/zinc/07/40/76/1075074076.db2.gz OWGWGROYZXJTRS-GVDBMIGSSA-N 2 0 379.505 -1.423 20 0 GAADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](C)C2)cn1 ZINC001338598277 1075075492 /nfs/dbraw/zinc/07/54/92/1075075492.db2.gz OMZUGYTVDRMUHB-AWEZNQCLSA-N 2 0 393.492 -1.043 20 0 GAADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](C)C2)cn1 ZINC001338598279 1075075509 /nfs/dbraw/zinc/07/55/09/1075075509.db2.gz OMZUGYTVDRMUHB-CQSZACIVSA-N 2 0 393.492 -1.043 20 0 GAADRP O=C(CN1CC[NH2+]CCN(CC(=O)N2CC[NH2+]CC2)CC1)N1CC[NH2+]CC1 ZINC001339912703 1075080554 /nfs/dbraw/zinc/08/05/54/1075080554.db2.gz FWQFMZQUIJDDNK-UHFFFAOYSA-N 3 0 381.525 -2.943 20 0 GAADRP O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@H]12)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001340076288 1075081288 /nfs/dbraw/zinc/08/12/88/1075081288.db2.gz BECCGLMGQXDPFF-BZUAXINKSA-N 2 0 398.529 -1.224 20 0 GAADRP O=C(C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@@H]21)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001340076289 1075081262 /nfs/dbraw/zinc/08/12/62/1075081262.db2.gz BECCGLMGQXDPFF-OAGGEKHMSA-N 2 0 398.529 -1.224 20 0 GAADRP O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@@H]12)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001340076290 1075081303 /nfs/dbraw/zinc/08/13/03/1075081303.db2.gz BECCGLMGQXDPFF-OWCLPIDISA-N 2 0 398.529 -1.224 20 0 GAADRP O=C(C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@H]21)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001340076291 1075081361 /nfs/dbraw/zinc/08/13/61/1075081361.db2.gz BECCGLMGQXDPFF-PMPSAXMXSA-N 2 0 398.529 -1.224 20 0 GAADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CS(=O)(=O)C3)CC1 ZINC001340077421 1075081281 /nfs/dbraw/zinc/08/12/81/1075081281.db2.gz PYYKJNPSHTXBPD-YOEHRIQHSA-N 2 0 384.502 -1.613 20 0 GAADRP O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@H]12)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC001340149273 1075081942 /nfs/dbraw/zinc/08/19/42/1075081942.db2.gz QZRSROYFHSAKOX-FDYHWXHSSA-N 2 0 398.451 -1.039 20 0 GAADRP O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@H]12)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC001340149276 1075081948 /nfs/dbraw/zinc/08/19/48/1075081948.db2.gz QZRSROYFHSAKOX-LPWJVIDDSA-N 2 0 398.451 -1.039 20 0 GAADRP O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@@H]12)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC001340149279 1075081946 /nfs/dbraw/zinc/08/19/46/1075081946.db2.gz QZRSROYFHSAKOX-XQHKEYJVSA-N 2 0 398.451 -1.039 20 0 GAADRP O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@@H]12)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC001340149282 1075081950 /nfs/dbraw/zinc/08/19/50/1075081950.db2.gz QZRSROYFHSAKOX-YVECIDJPSA-N 2 0 398.451 -1.039 20 0 GAADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@]23C[NH2+]C[C@H]2CS(=O)(=O)C3)CC1 ZINC001340865187 1075088175 /nfs/dbraw/zinc/08/81/75/1075088175.db2.gz OMMHPGPVNUMQEV-GUYCJALGSA-N 2 0 386.518 -1.321 20 0 GAADRP O=C([C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2CS(=O)(=O)C3)C1)N1CC[NH2+]CC1 ZINC001341352121 1075092949 /nfs/dbraw/zinc/09/29/49/1075092949.db2.gz FJJYROPIOCDUMY-KEYYUXOJSA-N 2 0 384.502 -1.709 20 0 GAADRP O=C([C@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2CS(=O)(=O)C3)C1)N1CC[NH2+]CC1 ZINC001341352122 1075092967 /nfs/dbraw/zinc/09/29/67/1075092967.db2.gz FJJYROPIOCDUMY-ZQIUZPCESA-N 2 0 384.502 -1.709 20 0 GAADRP O=C(C[C@H]1CSCC[NH2+]1)NCC[NH2+]CCNC(=O)C[C@H]1CSCC[NH2+]1 ZINC001341638003 1075094653 /nfs/dbraw/zinc/09/46/53/1075094653.db2.gz YLMDHHYLDZDVEL-KBPBESRZSA-N 3 0 389.591 -1.001 20 0 GAADRP O=C(C[C@@H]1CSCC[NH2+]1)NCC[NH2+]CCNC(=O)C[C@H]1CSCC[NH2+]1 ZINC001341638004 1075094766 /nfs/dbraw/zinc/09/47/66/1075094766.db2.gz YLMDHHYLDZDVEL-OKILXGFUSA-N 3 0 389.591 -1.001 20 0 GAADRP O=C(C[C@@H]1CSCC[NH2+]1)NCC[NH2+]CCNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC001341638005 1075094677 /nfs/dbraw/zinc/09/46/77/1075094677.db2.gz YLMDHHYLDZDVEL-ZIAGYGMSSA-N 3 0 389.591 -1.001 20 0 GAADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC[C@H](C[NH3+])NC(=O)[C@H]1C[NH+]2CCN1C[C@@H]2C ZINC001342179088 1075101368 /nfs/dbraw/zinc/10/13/68/1075101368.db2.gz LHRZHFGJLYWEFO-DRRXZNNHSA-N 3 0 393.536 -2.677 20 0 GAADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC[C@H](C[NH3+])NC(=O)[C@@H]1C[NH+]2CCN1C[C@@H]2C ZINC001342179089 1075101681 /nfs/dbraw/zinc/10/16/81/1075101681.db2.gz LHRZHFGJLYWEFO-HMDCTGQHSA-N 3 0 393.536 -2.677 20 0 GAADRP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N[C@@H](C[NH3+])CNC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001342179092 1075101602 /nfs/dbraw/zinc/10/16/02/1075101602.db2.gz LHRZHFGJLYWEFO-NQNKBUKLSA-N 3 0 393.536 -2.677 20 0 GAADRP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N[C@@H](C[NH3+])CNC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001342179094 1075101559 /nfs/dbraw/zinc/10/15/59/1075101559.db2.gz LHRZHFGJLYWEFO-UUAJXVIYSA-N 3 0 393.536 -2.677 20 0 GAADRP O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001342468753 1075103235 /nfs/dbraw/zinc/10/32/35/1075103235.db2.gz KYXWIHCTRIDWBR-CVEARBPZSA-N 2 0 379.505 -1.281 20 0 GAADRP O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001342468754 1075103278 /nfs/dbraw/zinc/10/32/78/1075103278.db2.gz KYXWIHCTRIDWBR-HOTGVXAUSA-N 2 0 379.505 -1.281 20 0 GAADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001342468755 1075103287 /nfs/dbraw/zinc/10/32/87/1075103287.db2.gz KYXWIHCTRIDWBR-HZPDHXFCSA-N 2 0 379.505 -1.281 20 0 GAADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001342468756 1075103262 /nfs/dbraw/zinc/10/32/62/1075103262.db2.gz KYXWIHCTRIDWBR-JKSUJKDBSA-N 2 0 379.505 -1.281 20 0 GAADRP O=C([C@@H]1[C@@H]2CC[NH2+]C[C@@H]21)N1CCNCCN(C(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)CC1 ZINC001342565523 1075103735 /nfs/dbraw/zinc/10/37/35/1075103735.db2.gz ZNSPNORNIUZQEL-GVLSGGHMSA-N 2 0 375.517 -1.042 20 0 GAADRP O=C([C@@H]1[C@@H]2CC[NH2+]C[C@@H]21)N1CCNCCN(C(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)CC1 ZINC001342565525 1075103814 /nfs/dbraw/zinc/10/38/14/1075103814.db2.gz ZNSPNORNIUZQEL-LMMHAMTPSA-N 2 0 375.517 -1.042 20 0 GAADRP O=C([C@H]1[C@@H]2CC[NH2+]C[C@@H]21)N1CCNCCN(C(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)CC1 ZINC001342565527 1075103786 /nfs/dbraw/zinc/10/37/86/1075103786.db2.gz ZNSPNORNIUZQEL-ZMSHIADSSA-N 2 0 375.517 -1.042 20 0 GAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC001342903491 1075105900 /nfs/dbraw/zinc/10/59/00/1075105900.db2.gz HXSCFQKUURLGLP-BRWVUGGUSA-N 2 0 381.521 -1.158 20 0 GAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC001342903492 1075105979 /nfs/dbraw/zinc/10/59/79/1075105979.db2.gz HXSCFQKUURLGLP-IKGGRYGDSA-N 2 0 381.521 -1.158 20 0 GAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC001342903493 1075105965 /nfs/dbraw/zinc/10/59/65/1075105965.db2.gz HXSCFQKUURLGLP-IXDOHACOSA-N 2 0 381.521 -1.158 20 0 GAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC001342903494 1075105953 /nfs/dbraw/zinc/10/59/53/1075105953.db2.gz HXSCFQKUURLGLP-ZACQAIPSSA-N 2 0 381.521 -1.158 20 0 GAADRP C[C@@H](C(=O)NCCN1CC[NH+](C)CC1)[C@H](C)C(=O)NCCN1CC[NH+](C)CC1 ZINC001343543011 1075113349 /nfs/dbraw/zinc/11/33/49/1075113349.db2.gz GDQXCCMKQFTDOO-HDICACEKSA-N 2 0 396.580 -1.014 20 0 GAADRP C[C@@H](C(=O)NCCN1CC[NH+](C)CC1)[C@@H](C)C(=O)NCCN1CC[NH+](C)CC1 ZINC001343543037 1075113336 /nfs/dbraw/zinc/11/33/36/1075113336.db2.gz GDQXCCMKQFTDOO-QZTJIDSGSA-N 2 0 396.580 -1.014 20 0 GAADRP C[C@H](C(=O)NCCN1CC[NH+](C)CC1)[C@H](C)C(=O)NCCN1CC[NH+](C)CC1 ZINC001343543038 1075113410 /nfs/dbraw/zinc/11/34/10/1075113410.db2.gz GDQXCCMKQFTDOO-ROUUACIJSA-N 2 0 396.580 -1.014 20 0 GAADRP Cn1cc([C@@H]2CN(C(=O)C(=O)NC3CCN(CC[NH+](C)C)CC3)C[C@H]2[NH3+])cn1 ZINC001345594980 1075132087 /nfs/dbraw/zinc/13/20/87/1075132087.db2.gz JNRNQCLAWKKSOD-DLBZAZTESA-N 2 0 391.520 -1.185 20 0 GAADRP COCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC1 ZINC001345595553 1075131962 /nfs/dbraw/zinc/13/19/62/1075131962.db2.gz LTNCDAZJQZKRBW-JKSUJKDBSA-N 2 0 378.477 -1.100 20 0 GAADRP Cn1cc([C@@H]2CN(C(=O)C(=O)NCCCC[NH+]3CCOCC3)C[C@H]2[NH3+])cn1 ZINC001345596418 1075132164 /nfs/dbraw/zinc/13/21/64/1075132164.db2.gz QKJSJBLFCFMAGW-JKSUJKDBSA-N 2 0 378.477 -1.098 20 0 GAADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001345945560 1075136981 /nfs/dbraw/zinc/13/69/81/1075136981.db2.gz NFOJQPKRFVMGLM-CVEARBPZSA-N 2 0 397.520 -1.118 20 0 GAADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001345945562 1075136963 /nfs/dbraw/zinc/13/69/63/1075136963.db2.gz NFOJQPKRFVMGLM-HOTGVXAUSA-N 2 0 397.520 -1.118 20 0 GAADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001345945563 1075136914 /nfs/dbraw/zinc/13/69/14/1075136914.db2.gz NFOJQPKRFVMGLM-HZPDHXFCSA-N 2 0 397.520 -1.118 20 0 GAADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001345945564 1075136892 /nfs/dbraw/zinc/13/68/92/1075136892.db2.gz NFOJQPKRFVMGLM-JKSUJKDBSA-N 2 0 397.520 -1.118 20 0 GAADRP [NH3+]C[C@@H]1CN(C(=O)C[C@@]2(C(=O)N3CCCO[C@@H](C[NH3+])C3)CC[NH2+]C2)CCCO1 ZINC001346056913 1075138946 /nfs/dbraw/zinc/13/89/46/1075138946.db2.gz WBBVTONNCOGONJ-GJYPPUQNSA-N 3 0 397.520 -1.491 20 0 GAADRP [NH3+]C[C@@H]1CN(C(=O)C[C@]2(C(=O)N3CCCO[C@H](C[NH3+])C3)CC[NH2+]C2)CCCO1 ZINC001346056928 1075138957 /nfs/dbraw/zinc/13/89/57/1075138957.db2.gz WBBVTONNCOGONJ-GPMSIDNRSA-N 3 0 397.520 -1.491 20 0 GAADRP [NH3+]C[C@@H]1CN(C(=O)C[C@]2(C(=O)N3CCCO[C@@H](C[NH3+])C3)CC[NH2+]C2)CCCO1 ZINC001346056929 1075139040 /nfs/dbraw/zinc/13/90/40/1075139040.db2.gz WBBVTONNCOGONJ-JTDSTZFVSA-N 3 0 397.520 -1.491 20 0 GAADRP [NH3+]C[C@@H]1CN(C(=O)C[C@@]2(C(=O)N3CCCO[C@H](C[NH3+])C3)CC[NH2+]C2)CCCO1 ZINC001346056958 1075139060 /nfs/dbraw/zinc/13/90/60/1075139060.db2.gz WBBVTONNCOGONJ-MDZRGWNJSA-N 3 0 397.520 -1.491 20 0 GAADRP O=C(CSCC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC001346491320 1075150330 /nfs/dbraw/zinc/15/03/30/1075150330.db2.gz JCYPVATZAKJCCT-CAOSSQGBSA-N 2 0 398.529 -1.726 20 0 GAADRP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCCCNC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001346971481 1075157560 /nfs/dbraw/zinc/15/75/60/1075157560.db2.gz AFCSMUFXGQETOV-QBPKDAKJSA-N 2 0 378.521 -1.615 20 0 GAADRP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NCCCNC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001346971482 1075157550 /nfs/dbraw/zinc/15/75/50/1075157550.db2.gz AFCSMUFXGQETOV-VQHPVUNQSA-N 2 0 378.521 -1.615 20 0 GAADRP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCCCNC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001346971483 1075157526 /nfs/dbraw/zinc/15/75/26/1075157526.db2.gz AFCSMUFXGQETOV-WNKDZCFJSA-N 2 0 378.521 -1.615 20 0 GAADRP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCCCNC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001346971484 1075157480 /nfs/dbraw/zinc/15/74/80/1075157480.db2.gz AFCSMUFXGQETOV-YYIAUSFCSA-N 2 0 378.521 -1.615 20 0 GAADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCC2([NH3+])CCCC2)cn1 ZINC001347046096 1075159606 /nfs/dbraw/zinc/15/96/06/1075159606.db2.gz LINIPEOLUIHFRZ-UHFFFAOYSA-N 2 0 379.465 -1.113 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC001347066313 1075159898 /nfs/dbraw/zinc/15/98/98/1075159898.db2.gz IKDLAXBEDPYRHW-UHFFFAOYSA-N 2 0 377.511 -2.054 20 0 GAADRP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N(C)CCN(C)C(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001347091569 1075160683 /nfs/dbraw/zinc/16/06/83/1075160683.db2.gz UHYDDDQWOSQSGA-BRSBDYLESA-N 2 0 392.548 -1.320 20 0 GAADRP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N(C)CCN(C)C(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001347091586 1075160574 /nfs/dbraw/zinc/16/05/74/1075160574.db2.gz UHYDDDQWOSQSGA-TVFCKZIOSA-N 2 0 392.548 -1.320 20 0 GAADRP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N(C)CCN(C)C(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001347091590 1075160656 /nfs/dbraw/zinc/16/06/56/1075160656.db2.gz UHYDDDQWOSQSGA-USTZCAOPSA-N 2 0 392.548 -1.320 20 0 GAADRP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N(C)CCN(C)C(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001347091592 1075160889 /nfs/dbraw/zinc/16/08/89/1075160889.db2.gz UHYDDDQWOSQSGA-XMTFNYHQSA-N 2 0 392.548 -1.320 20 0 GAADRP CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)O1 ZINC001347195455 1075163504 /nfs/dbraw/zinc/16/35/04/1075163504.db2.gz QAIDHNSVPIEHCD-CABCVRRESA-N 2 0 385.509 -1.310 20 0 GAADRP CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)O1 ZINC001347195457 1075163433 /nfs/dbraw/zinc/16/34/33/1075163433.db2.gz QAIDHNSVPIEHCD-GJZGRUSLSA-N 2 0 385.509 -1.310 20 0 GAADRP CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)O1 ZINC001347195458 1075163483 /nfs/dbraw/zinc/16/34/83/1075163483.db2.gz QAIDHNSVPIEHCD-HUUCEWRRSA-N 2 0 385.509 -1.310 20 0 GAADRP CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)O1 ZINC001347195460 1075163496 /nfs/dbraw/zinc/16/34/96/1075163496.db2.gz QAIDHNSVPIEHCD-LSDHHAIUSA-N 2 0 385.509 -1.310 20 0 GAADRP CCN(CCNC(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C)C(=O)[C@@H]1C[NH+]2CCN1C[C@@H]2C ZINC001347209326 1075163756 /nfs/dbraw/zinc/16/37/56/1075163756.db2.gz BATQLNPFXWPQMN-XSLAGTTESA-N 2 0 392.548 -1.272 20 0 GAADRP CCN(CCNC(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C)C(=O)[C@H]1C[NH+]2CCN1C[C@H]2C ZINC001347209327 1075163701 /nfs/dbraw/zinc/16/37/01/1075163701.db2.gz BATQLNPFXWPQMN-XWTMOSNGSA-N 2 0 392.548 -1.272 20 0 GAADRP C/C(=C\C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC001347808676 1075173780 /nfs/dbraw/zinc/17/37/80/1075173780.db2.gz IZBSGFCPOIXMIH-BCIKUICKSA-N 2 0 378.473 -1.513 20 0 GAADRP C/C(=C/C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC001347808680 1075173828 /nfs/dbraw/zinc/17/38/28/1075173828.db2.gz IZBSGFCPOIXMIH-ZAWNNAMKSA-N 2 0 378.473 -1.513 20 0 GAADRP C[Si](C)(CC[NH+]1CCN(CC(N)=O)CC1)CC[NH+]1CCN(CC(N)=O)CC1 ZINC001348134783 1075176081 /nfs/dbraw/zinc/17/60/81/1075176081.db2.gz ARQLMOTVOKDNFW-UHFFFAOYSA-N 2 0 398.628 -1.099 20 0 GAADRP O=C(CNC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)N1CC[NH2+]CC1 ZINC001348306682 1075180886 /nfs/dbraw/zinc/18/08/86/1075180886.db2.gz NBFMNMPZIYHILF-KGLIPLIRSA-N 2 0 380.449 -1.615 20 0 GAADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001348320014 1075180880 /nfs/dbraw/zinc/18/08/80/1075180880.db2.gz KYDQMQHGBRKNNQ-CABCVRRESA-N 2 0 397.476 -1.536 20 0 GAADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC001348322088 1075181199 /nfs/dbraw/zinc/18/11/99/1075181199.db2.gz UQJSYQQHBBTYJJ-DLBZAZTESA-N 2 0 381.521 -1.035 20 0 GAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC001348322090 1075181221 /nfs/dbraw/zinc/18/12/21/1075181221.db2.gz UQJSYQQHBBTYJJ-IAGOWNOFSA-N 2 0 381.521 -1.035 20 0 GAADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC001348322091 1075181232 /nfs/dbraw/zinc/18/12/32/1075181232.db2.gz UQJSYQQHBBTYJJ-IRXDYDNUSA-N 2 0 381.521 -1.035 20 0 GAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC001348322096 1075181267 /nfs/dbraw/zinc/18/12/67/1075181267.db2.gz UQJSYQQHBBTYJJ-SJORKVTESA-N 2 0 381.521 -1.035 20 0 GAADRP CN(CC(=O)N1CCOCC1)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001348587979 1075184936 /nfs/dbraw/zinc/18/49/36/1075184936.db2.gz WSXOBYOWYATJBE-HZPDHXFCSA-N 2 0 397.520 -1.499 20 0 GAADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3OCC(=O)N[C@H]3C2)C[C@H]1C[NH+](C)C ZINC001348650138 1075185605 /nfs/dbraw/zinc/18/56/05/1075185605.db2.gz CBTRLPYHFXKRSA-WCVJEAGWSA-N 2 0 395.504 -1.700 20 0 GAADRP CN1CC[NH+](C2CCN(C(=O)C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)CC2)CC1 ZINC001348650345 1075185707 /nfs/dbraw/zinc/18/57/07/1075185707.db2.gz BKEGHBYNUOYENV-DLBZAZTESA-N 2 0 379.505 -1.498 20 0 GAADRP C[N@@H+]1CC[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 1075185983 /nfs/dbraw/zinc/18/59/83/1075185983.db2.gz MVDACQQFOFETRN-SEBNEYGDSA-N 2 0 377.445 -1.458 20 0 GAADRP C[N@@H+]1CC[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 1075185934 /nfs/dbraw/zinc/18/59/34/1075185934.db2.gz MVDACQQFOFETRN-ZSAUSMIDSA-N 2 0 377.445 -1.458 20 0 GAADRP C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001349275655 1075191593 /nfs/dbraw/zinc/19/15/93/1075191593.db2.gz CYECPALUHDMDCQ-BFHYXJOUSA-N 2 0 376.523 -1.267 20 0 GAADRP C[C@H](CS(C)(=O)=O)NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001349275656 1075191436 /nfs/dbraw/zinc/19/14/36/1075191436.db2.gz CYECPALUHDMDCQ-MGPQQGTHSA-N 2 0 376.523 -1.267 20 0 GAADRP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N(C)CCNC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001349519463 1075194545 /nfs/dbraw/zinc/19/45/45/1075194545.db2.gz ZVXDCLRRUVTWEZ-QBPKDAKJSA-N 2 0 378.521 -1.662 20 0 GAADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCN(C)C(=O)[C@@H]1C[NH+]2CCN1C[C@@H]2C ZINC001349519469 1075194559 /nfs/dbraw/zinc/19/45/59/1075194559.db2.gz ZVXDCLRRUVTWEZ-TWMKSMIVSA-N 2 0 378.521 -1.662 20 0 GAADRP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N(C)CCNC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001349519474 1075194535 /nfs/dbraw/zinc/19/45/35/1075194535.db2.gz ZVXDCLRRUVTWEZ-VQHPVUNQSA-N 2 0 378.521 -1.662 20 0 GAADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCN(C)C(=O)[C@H]1C[NH+]2CCN1C[C@@H]2C ZINC001349519477 1075194515 /nfs/dbraw/zinc/19/45/15/1075194515.db2.gz ZVXDCLRRUVTWEZ-YYIAUSFCSA-N 2 0 378.521 -1.662 20 0 GAADRP O=C(COCC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC001349826422 1075199075 /nfs/dbraw/zinc/19/90/75/1075199075.db2.gz QFUMSBXMICQQGC-CAOSSQGBSA-N 2 0 382.461 -2.442 20 0 GAADRP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001349888493 1075199745 /nfs/dbraw/zinc/19/97/45/1075199745.db2.gz IRAFBAIEBTYDLK-HZMVEIRTSA-N 2 0 380.489 -1.242 20 0 GAADRP O=C(NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001349888501 1075199791 /nfs/dbraw/zinc/19/97/91/1075199791.db2.gz IRAFBAIEBTYDLK-VVLHAWIVSA-N 2 0 380.489 -1.242 20 0 GAADRP O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001349888503 1075199823 /nfs/dbraw/zinc/19/98/23/1075199823.db2.gz IRAFBAIEBTYDLK-YLFCFFPRSA-N 2 0 380.489 -1.242 20 0 GAADRP O=C(NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001349888506 1075199783 /nfs/dbraw/zinc/19/97/83/1075199783.db2.gz IRAFBAIEBTYDLK-YVSFHVDLSA-N 2 0 380.489 -1.242 20 0 GAADRP CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC001349983214 1075199991 /nfs/dbraw/zinc/19/99/91/1075199991.db2.gz SACISKJFAZXBJK-KFWWJZLASA-N 2 0 379.461 -1.020 20 0 GAADRP CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC001349983215 1075199979 /nfs/dbraw/zinc/19/99/79/1075199979.db2.gz SACISKJFAZXBJK-ZNMIVQPWSA-N 2 0 379.461 -1.020 20 0 GAADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC[N@@H+]1C ZINC001349994162 1075200093 /nfs/dbraw/zinc/20/00/93/1075200093.db2.gz HGLDKHZNSREAFG-FQKPHLNHSA-N 2 0 379.461 -1.021 20 0 GAADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC[N@@H+]1C ZINC001349994165 1075200022 /nfs/dbraw/zinc/20/00/22/1075200022.db2.gz HGLDKHZNSREAFG-KHMAMNHCSA-N 2 0 379.461 -1.021 20 0 GAADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC[N@@H+]1C ZINC001349994167 1075200005 /nfs/dbraw/zinc/20/00/05/1075200005.db2.gz HGLDKHZNSREAFG-QMIVOQANSA-N 2 0 379.461 -1.021 20 0 GAADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC[N@@H+]1C ZINC001349994170 1075200102 /nfs/dbraw/zinc/20/01/02/1075200102.db2.gz HGLDKHZNSREAFG-RYPNDVFKSA-N 2 0 379.461 -1.021 20 0 GAADRP C[NH+]1CCN(C2CN(C(=O)C(F)C(=O)N3CC(N4CC[NH+](C)CC4)C3)C2)CC1 ZINC001350727950 1075206974 /nfs/dbraw/zinc/20/69/74/1075206974.db2.gz GPNJYMFWJVRXGN-UHFFFAOYSA-N 2 0 396.511 -1.759 20 0 GAADRP C[C@H]1CN(C(=O)C(=O)N2CCNCC[NH2+]CC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001350965704 1075210229 /nfs/dbraw/zinc/21/02/29/1075210229.db2.gz MOGDMBDMTUSUQD-DLBZAZTESA-N 2 0 380.537 -1.508 20 0 GAADRP C[C@@H]1CN(C(=O)C(=O)N2CCNCC[NH2+]CC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001350965708 1075210279 /nfs/dbraw/zinc/21/02/79/1075210279.db2.gz MOGDMBDMTUSUQD-IAGOWNOFSA-N 2 0 380.537 -1.508 20 0 GAADRP C[C@H]1CN(C(=O)C(=O)N2CCNCC[NH2+]CC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001350965713 1075210187 /nfs/dbraw/zinc/21/01/87/1075210187.db2.gz MOGDMBDMTUSUQD-IRXDYDNUSA-N 2 0 380.537 -1.508 20 0 GAADRP C[C@@H]1CN(C(=O)C(=O)N2CCNCC[NH2+]CC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001350965717 1075210295 /nfs/dbraw/zinc/21/02/95/1075210295.db2.gz MOGDMBDMTUSUQD-SJORKVTESA-N 2 0 380.537 -1.508 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@]12COC(=O)N1CCOC2 ZINC001351834252 1075217690 /nfs/dbraw/zinc/21/76/90/1075217690.db2.gz DJBQYEYDFXFAHN-KRWDZBQOSA-N 2 0 385.465 -1.724 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@]12COC(=O)N1CCOC2 ZINC001351834265 1075217715 /nfs/dbraw/zinc/21/77/15/1075217715.db2.gz DJBQYEYDFXFAHN-QGZVFWFLSA-N 2 0 385.465 -1.724 20 0 GAADRP CN(CCNS(C)(=O)=O)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001351838932 1075217824 /nfs/dbraw/zinc/21/78/24/1075217824.db2.gz VYKFACBMKLPXIA-ZIAGYGMSSA-N 2 0 391.538 -1.808 20 0 GAADRP COC(=O)C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCO1 ZINC001351856596 1075218069 /nfs/dbraw/zinc/21/80/69/1075218069.db2.gz LLAOIVJTRXQUOC-BZUAXINKSA-N 2 0 398.504 -1.025 20 0 GAADRP COC(=O)C[C@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCO1 ZINC001351856599 1075218126 /nfs/dbraw/zinc/21/81/26/1075218126.db2.gz LLAOIVJTRXQUOC-OAGGEKHMSA-N 2 0 398.504 -1.025 20 0 GAADRP COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC001351921116 1075218525 /nfs/dbraw/zinc/21/85/25/1075218525.db2.gz TUHLTZGMJHSDMN-FPCVCCKLSA-N 2 0 398.504 -1.433 20 0 GAADRP COC(=O)[C@H]1C[C@H](O)CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC001351921117 1075218508 /nfs/dbraw/zinc/21/85/08/1075218508.db2.gz TUHLTZGMJHSDMN-JJXSEGSLSA-N 2 0 398.504 -1.433 20 0 GAADRP COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC001351921119 1075218488 /nfs/dbraw/zinc/21/84/88/1075218488.db2.gz TUHLTZGMJHSDMN-KLHDSHLOSA-N 2 0 398.504 -1.433 20 0 GAADRP COC(=O)[C@H]1C[C@@H](O)CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC001351921121 1075218401 /nfs/dbraw/zinc/21/84/01/1075218401.db2.gz TUHLTZGMJHSDMN-ZJIFWQFVSA-N 2 0 398.504 -1.433 20 0 GAADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCS(=O)(=O)C2)C[C@H]1C[NH+](C)C ZINC001352485161 1075222389 /nfs/dbraw/zinc/22/23/89/1075222389.db2.gz KFVILTQDASAIHL-KFWWJZLASA-N 2 0 388.534 -1.122 20 0 GAADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C[NH+](C)C ZINC001352485163 1075222371 /nfs/dbraw/zinc/22/23/71/1075222371.db2.gz KFVILTQDASAIHL-RBSFLKMASA-N 2 0 388.534 -1.122 20 0 GAADRP CN1CCN(C)CCN(C(=O)C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CC1 ZINC001352844112 1075224689 /nfs/dbraw/zinc/22/46/89/1075224689.db2.gz GFBKSTUQVLZRLG-UHFFFAOYSA-N 2 0 390.492 -1.470 20 0 GAADRP O=C(CN1CC[NH2+]CC1)N1CCC(C(=O)NCCCN2CCOCC2)CC1 ZINC001352848656 1075224750 /nfs/dbraw/zinc/22/47/50/1075224750.db2.gz AXRWUISBDVNALJ-UHFFFAOYSA-N 2 0 381.521 -1.031 20 0 GAADRP CN1CCC([NH+]2CCC(NC(=O)C(=O)N3CCNCC[NH2+]CC3)CC2)CC1 ZINC001353135469 1075227090 /nfs/dbraw/zinc/22/70/90/1075227090.db2.gz XHAUGHMITSWBGC-UHFFFAOYSA-N 2 0 380.537 -1.317 20 0 GAADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCCN2CCC([NH3+])CC2)C[C@H]1C[NH+](C)C ZINC001353169522 1075227335 /nfs/dbraw/zinc/22/73/35/1075227335.db2.gz ARKGVFVOCPHUJR-HZPDHXFCSA-N 3 0 382.553 -1.277 20 0 GAADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001353293921 1075227702 /nfs/dbraw/zinc/22/77/02/1075227702.db2.gz XCYIQRGWVOPZNA-BVUBDWEXSA-N 2 0 391.472 -1.020 20 0 GAADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001353293923 1075227779 /nfs/dbraw/zinc/22/77/79/1075227779.db2.gz XCYIQRGWVOPZNA-HNKHHVNMSA-N 2 0 391.472 -1.020 20 0 GAADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001353293925 1075227833 /nfs/dbraw/zinc/22/78/33/1075227833.db2.gz XCYIQRGWVOPZNA-MIGQKNRLSA-N 2 0 391.472 -1.020 20 0 GAADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001353293927 1075227815 /nfs/dbraw/zinc/22/78/15/1075227815.db2.gz XCYIQRGWVOPZNA-XZDPQHSOSA-N 2 0 391.472 -1.020 20 0 GAADRP C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001353839178 1075231025 /nfs/dbraw/zinc/23/10/25/1075231025.db2.gz DXRYRMQDOBMDLU-TUVASFSCSA-N 2 0 388.534 -1.267 20 0 GAADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001354240980 1075233174 /nfs/dbraw/zinc/23/31/74/1075233174.db2.gz GPVFPWQBBJCTLP-GJYPPUQNSA-N 2 0 381.521 -1.217 20 0 GAADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001354240981 1075233158 /nfs/dbraw/zinc/23/31/58/1075233158.db2.gz GPVFPWQBBJCTLP-GPMSIDNRSA-N 2 0 381.521 -1.217 20 0 GAADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001354240982 1075233143 /nfs/dbraw/zinc/23/31/43/1075233143.db2.gz GPVFPWQBBJCTLP-JTDSTZFVSA-N 2 0 381.521 -1.217 20 0 GAADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001354240983 1075233195 /nfs/dbraw/zinc/23/31/95/1075233195.db2.gz GPVFPWQBBJCTLP-MDZRGWNJSA-N 2 0 381.521 -1.217 20 0 GAADRP CN1CC[NH+](CC2CCN(C(=O)C(=O)N3CCNCC[NH2+]CC3)CC2)CC1 ZINC001354243441 1075233128 /nfs/dbraw/zinc/23/31/28/1075233128.db2.gz SDHRPOWPOPTCQH-UHFFFAOYSA-N 2 0 380.537 -1.506 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC2(CC1)C[C@H](O)CNC2=O ZINC001356233993 1075238877 /nfs/dbraw/zinc/23/88/77/1075238877.db2.gz DBVNGNWSUNQZRA-HNNXBMFYSA-N 2 0 397.520 -1.572 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC2(CC1)C[C@@H](O)CNC2=O ZINC001356233999 1075238909 /nfs/dbraw/zinc/23/89/09/1075238909.db2.gz DBVNGNWSUNQZRA-OAHLLOKOSA-N 2 0 397.520 -1.572 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@H](CS(C)(=O)=O)C1 ZINC001356237368 1075238810 /nfs/dbraw/zinc/23/88/10/1075238810.db2.gz ZSIPTLHOOAAIBF-AWEZNQCLSA-N 2 0 392.522 -1.790 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@@H](CS(C)(=O)=O)C1 ZINC001356237369 1075238855 /nfs/dbraw/zinc/23/88/55/1075238855.db2.gz ZSIPTLHOOAAIBF-CQSZACIVSA-N 2 0 392.522 -1.790 20 0 GAADRP CCOC(=O)[C@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCO1 ZINC001356344315 1075239817 /nfs/dbraw/zinc/23/98/17/1075239817.db2.gz IJNHMRXRVRWBOI-BZUAXINKSA-N 2 0 398.504 -1.025 20 0 GAADRP CCOC(=O)[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCO1 ZINC001356344319 1075239748 /nfs/dbraw/zinc/23/97/48/1075239748.db2.gz IJNHMRXRVRWBOI-OAGGEKHMSA-N 2 0 398.504 -1.025 20 0 GAADRP O=C([C@@H]1CC(=O)N(C2C[NH2+]C2)C1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001357925572 1075241563 /nfs/dbraw/zinc/24/15/63/1075241563.db2.gz SGSJWMZXJFPUAP-DFBGVHRSSA-N 2 0 377.445 -1.410 20 0 GAADRP O=C([C@H]1CC(=O)N(C2C[NH2+]C2)C1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001357925575 1075241483 /nfs/dbraw/zinc/24/14/83/1075241483.db2.gz SGSJWMZXJFPUAP-GLQYFDAESA-N 2 0 377.445 -1.410 20 0 GAADRP C[NH+]1CCC(OCC(=O)NC[C@H](CO)Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579349369 1075566029 /nfs/dbraw/zinc/56/60/29/1075566029.db2.gz MUPSCCUMLPJYIS-GFCCVEGCSA-N 2 0 390.448 -1.317 20 0 GAADRP C[NH+]1CCC(OCC(=O)NC[C@@H](CO)Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579349370 1075565967 /nfs/dbraw/zinc/56/59/67/1075565967.db2.gz MUPSCCUMLPJYIS-LBPRGKRZSA-N 2 0 390.448 -1.317 20 0 GAADRP C[NH+]1CCC(OCC(=O)NC[C@H](O)CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579349903 1075566376 /nfs/dbraw/zinc/56/63/76/1075566376.db2.gz VCFFNJSIMYZBEC-GFCCVEGCSA-N 2 0 390.448 -1.317 20 0 GAADRP C[NH+]1CCC(OCC(=O)NC[C@@H](O)CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579349904 1075566313 /nfs/dbraw/zinc/56/63/13/1075566313.db2.gz VCFFNJSIMYZBEC-LBPRGKRZSA-N 2 0 390.448 -1.317 20 0 GAADRP CN1CCO[C@@H](C(=O)N[C@@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]2O)C1 ZINC001579378834 1075579799 /nfs/dbraw/zinc/57/97/99/1075579799.db2.gz OWPVENONECDMLS-BZUAXINKSA-N 2 0 387.444 -1.141 20 0 GAADRP Cc1cc(NC2CC[NH+](CCNC(=O)CC(N)=O)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605723010 1076350983 /nfs/dbraw/zinc/35/09/83/1076350983.db2.gz FKIFETAUBKQFIS-UHFFFAOYSA-N 2 0 387.448 -1.140 20 0 GAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[NH+](C(C)(C)C(=O)[O-])CC1 ZINC001610100064 1076428845 /nfs/dbraw/zinc/42/88/45/1076428845.db2.gz FIHQXDCDPLUNGY-UHFFFAOYSA-N 2 0 385.509 -1.054 20 0 GAADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CC(=O)NC(N)=O)C2)CC[N@@H+]1C ZINC001656404368 1076544955 /nfs/dbraw/zinc/54/49/55/1076544955.db2.gz HVNHTACPBMIFBL-REBRKWNGSA-N 2 0 391.476 -1.161 20 0 GAADRP C[NH+](C)C[C@@H]1CN(C(=O)NCCOCCS(N)(=O)=O)C[C@H]1C[NH+](C)C ZINC001673448077 1076571540 /nfs/dbraw/zinc/57/15/40/1076571540.db2.gz DNBUHSBASQCYHL-ZIAGYGMSSA-N 2 0 379.527 -1.328 20 0 GAADRP